USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0344 (180deg=-0.355) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.133 (180deg=-0.133) USER MOD Single : A 3 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.043) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0706 K(o=-0.071,f=-0.59) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.058) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 158:sc= -0.138 (180deg=-0.704) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.0996 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.883 (180deg=-2.46!) USER MOD Single : A 25 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.3!) USER MOD Single : A 29 MET CE :methyl 172:sc= -0.313 (180deg=-0.592) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0.329 (180deg=0.213) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.072) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0.79 (180deg=0.763) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00365 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.086 USER MOD Single : A 60 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 64 SER OG : rot -4:sc= 1.23 USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= -1.06! (180deg=-3.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 40.348 -41.788 -16.614 1.00 31.10 N ATOM 2 CA MET A 1 39.973 -40.776 -15.595 1.00 23.55 C ATOM 3 C MET A 1 38.583 -41.051 -15.034 1.00 43.14 C ATOM 4 O MET A 1 38.147 -40.400 -14.084 1.00 13.32 O ATOM 5 CB MET A 1 40.001 -39.364 -16.193 1.00 21.31 C ATOM 6 CG MET A 1 38.951 -39.128 -17.271 1.00 42.13 C ATOM 7 SD MET A 1 38.861 -37.405 -17.798 1.00 51.14 S ATOM 8 CE MET A 1 40.518 -37.141 -18.420 1.00 20.12 C ATOM 0 H1 MET A 1 41.299 -41.577 -16.979 1.00 31.10 H new ATOM 0 H2 MET A 1 40.345 -42.734 -16.181 1.00 31.10 H new ATOM 0 H3 MET A 1 39.663 -41.763 -17.396 1.00 31.10 H new ATOM 0 HA MET A 1 40.703 -40.843 -14.788 1.00 23.55 H new ATOM 0 HB2 MET A 1 39.855 -38.638 -15.393 1.00 21.31 H new ATOM 0 HB3 MET A 1 40.989 -39.179 -16.615 1.00 21.31 H new ATOM 0 HG2 MET A 1 39.176 -39.755 -18.134 1.00 42.13 H new ATOM 0 HG3 MET A 1 37.976 -39.439 -16.896 1.00 42.13 H new ATOM 0 HE1 MET A 1 40.542 -36.228 -19.015 1.00 20.12 H new ATOM 0 HE2 MET A 1 41.210 -37.047 -17.583 1.00 20.12 H new ATOM 0 HE3 MET A 1 40.812 -37.987 -19.041 1.00 20.12 H new ATOM 20 N GLY A 2 37.886 -42.012 -15.621 1.00 20.42 N ATOM 21 CA GLY A 2 36.519 -42.270 -15.237 1.00 22.12 C ATOM 22 C GLY A 2 35.556 -41.521 -16.127 1.00 11.03 C ATOM 23 O GLY A 2 35.960 -40.949 -17.141 1.00 4.34 O ATOM 0 H GLY A 2 38.246 -42.618 -16.358 1.00 20.42 H new ATOM 0 HA2 GLY A 2 36.317 -43.339 -15.295 1.00 22.12 H new ATOM 0 HA3 GLY A 2 36.367 -41.973 -14.199 1.00 22.12 H new ATOM 27 N HIS A 3 34.288 -41.518 -15.762 1.00 53.10 N ATOM 28 CA HIS A 3 33.271 -40.843 -16.556 1.00 74.31 C ATOM 29 C HIS A 3 32.292 -40.129 -15.644 1.00 5.20 C ATOM 30 O HIS A 3 32.486 -40.085 -14.429 1.00 11.44 O ATOM 31 CB HIS A 3 32.533 -41.843 -17.450 1.00 64.50 C ATOM 32 CG HIS A 3 33.414 -42.496 -18.470 1.00 13.31 C ATOM 33 ND1 HIS A 3 33.945 -43.754 -18.306 1.00 12.30 N ATOM 34 CD2 HIS A 3 33.878 -42.046 -19.659 1.00 54.03 C ATOM 35 CE1 HIS A 3 34.698 -44.049 -19.348 1.00 61.50 C ATOM 36 NE2 HIS A 3 34.676 -43.031 -20.186 1.00 33.31 N ATOM 0 H HIS A 3 33.934 -41.975 -14.921 1.00 53.10 H new ATOM 0 HA HIS A 3 33.759 -40.108 -17.196 1.00 74.31 H new ATOM 0 HB2 HIS A 3 32.082 -42.613 -16.825 1.00 64.50 H new ATOM 0 HB3 HIS A 3 31.718 -41.329 -17.961 1.00 64.50 H new ATOM 0 HD2 HIS A 3 33.661 -41.089 -20.110 1.00 54.03 H new ATOM 0 HE1 HIS A 3 35.242 -44.971 -19.491 1.00 61.50 H new ATOM 0 HE2 HIS A 3 35.170 -42.983 -21.077 1.00 33.31 H new ATOM 45 N HIS A 4 31.246 -39.570 -16.228 1.00 22.24 N ATOM 46 CA HIS A 4 30.243 -38.856 -15.457 1.00 61.31 C ATOM 47 C HIS A 4 29.336 -39.843 -14.746 1.00 41.42 C ATOM 48 O HIS A 4 28.532 -40.528 -15.378 1.00 4.35 O ATOM 49 CB HIS A 4 29.407 -37.934 -16.351 1.00 72.03 C ATOM 50 CG HIS A 4 30.183 -36.798 -16.946 1.00 11.22 C ATOM 51 ND1 HIS A 4 30.064 -35.493 -16.516 1.00 11.43 N ATOM 52 CD2 HIS A 4 31.083 -36.773 -17.958 1.00 1.14 C ATOM 53 CE1 HIS A 4 30.857 -34.721 -17.237 1.00 72.35 C ATOM 54 NE2 HIS A 4 31.486 -35.473 -18.118 1.00 41.32 N ATOM 0 H HIS A 4 31.069 -39.597 -17.232 1.00 22.24 H new ATOM 0 HA HIS A 4 30.759 -38.240 -14.721 1.00 61.31 H new ATOM 0 HB2 HIS A 4 28.970 -38.524 -17.157 1.00 72.03 H new ATOM 0 HB3 HIS A 4 28.580 -37.530 -15.767 1.00 72.03 H new ATOM 0 HD2 HIS A 4 31.421 -37.622 -18.533 1.00 1.14 H new ATOM 0 HE1 HIS A 4 30.971 -33.653 -17.124 1.00 72.35 H new ATOM 0 HE2 HIS A 4 32.162 -35.142 -18.806 1.00 41.32 H new ATOM 63 N HIS A 5 29.495 -39.932 -13.439 1.00 63.34 N ATOM 64 CA HIS A 5 28.661 -40.798 -12.624 1.00 42.34 C ATOM 65 C HIS A 5 27.357 -40.087 -12.306 1.00 3.10 C ATOM 66 O HIS A 5 26.328 -40.721 -12.061 1.00 34.11 O ATOM 67 CB HIS A 5 29.377 -41.183 -11.327 1.00 11.31 C ATOM 68 CG HIS A 5 30.595 -42.032 -11.530 1.00 44.22 C ATOM 69 ND1 HIS A 5 30.551 -43.406 -11.561 1.00 61.32 N ATOM 70 CD2 HIS A 5 31.895 -41.695 -11.699 1.00 63.21 C ATOM 71 CE1 HIS A 5 31.769 -43.881 -11.735 1.00 40.33 C ATOM 72 NE2 HIS A 5 32.604 -42.864 -11.823 1.00 43.41 N ATOM 0 H HIS A 5 30.199 -39.412 -12.915 1.00 63.34 H new ATOM 0 HA HIS A 5 28.455 -41.712 -13.181 1.00 42.34 H new ATOM 0 HB2 HIS A 5 29.665 -40.274 -10.800 1.00 11.31 H new ATOM 0 HB3 HIS A 5 28.678 -41.717 -10.683 1.00 11.31 H new ATOM 0 HD2 HIS A 5 32.299 -40.694 -11.730 1.00 63.21 H new ATOM 0 HE1 HIS A 5 32.037 -44.925 -11.795 1.00 40.33 H new ATOM 0 HE2 HIS A 5 33.612 -42.934 -11.961 1.00 43.41 H new ATOM 81 N HIS A 6 27.417 -38.762 -12.313 1.00 72.12 N ATOM 82 CA HIS A 6 26.254 -37.933 -12.049 1.00 55.43 C ATOM 83 C HIS A 6 25.766 -37.279 -13.337 1.00 44.10 C ATOM 84 O HIS A 6 26.570 -36.819 -14.152 1.00 73.20 O ATOM 85 CB HIS A 6 26.601 -36.861 -11.010 1.00 3.22 C ATOM 86 CG HIS A 6 25.434 -36.024 -10.584 1.00 23.23 C ATOM 87 ND1 HIS A 6 25.192 -34.763 -11.075 1.00 32.40 N ATOM 88 CD2 HIS A 6 24.442 -36.277 -9.700 1.00 45.32 C ATOM 89 CE1 HIS A 6 24.107 -34.275 -10.511 1.00 63.33 C ATOM 90 NE2 HIS A 6 23.629 -35.173 -9.669 1.00 31.01 N ATOM 0 H HIS A 6 28.270 -38.236 -12.501 1.00 72.12 H new ATOM 0 HA HIS A 6 25.456 -38.562 -11.655 1.00 55.43 H new ATOM 0 HB2 HIS A 6 27.027 -37.346 -10.132 1.00 3.22 H new ATOM 0 HB3 HIS A 6 27.372 -36.209 -11.420 1.00 3.22 H new ATOM 0 HD2 HIS A 6 24.314 -37.182 -9.125 1.00 45.32 H new ATOM 0 HE1 HIS A 6 23.679 -33.302 -10.705 1.00 63.33 H new ATOM 0 HE2 HIS A 6 22.795 -35.064 -9.092 1.00 31.01 H new ATOM 99 N HIS A 7 24.449 -37.259 -13.514 1.00 23.04 N ATOM 100 CA HIS A 7 23.825 -36.595 -14.658 1.00 3.05 C ATOM 101 C HIS A 7 24.166 -35.106 -14.654 1.00 62.51 C ATOM 102 O HIS A 7 23.971 -34.426 -13.648 1.00 73.11 O ATOM 103 CB HIS A 7 22.301 -36.794 -14.607 1.00 23.24 C ATOM 104 CG HIS A 7 21.546 -36.121 -15.716 1.00 23.44 C ATOM 105 ND1 HIS A 7 21.299 -36.726 -16.929 1.00 63.04 N ATOM 106 CD2 HIS A 7 20.971 -34.897 -15.787 1.00 45.33 C ATOM 107 CE1 HIS A 7 20.606 -35.908 -17.695 1.00 1.14 C ATOM 108 NE2 HIS A 7 20.393 -34.793 -17.028 1.00 70.33 N ATOM 0 H HIS A 7 23.786 -37.698 -12.875 1.00 23.04 H new ATOM 0 HA HIS A 7 24.209 -37.035 -15.578 1.00 3.05 H new ATOM 0 HB2 HIS A 7 22.086 -37.862 -14.635 1.00 23.24 H new ATOM 0 HB3 HIS A 7 21.930 -36.419 -13.653 1.00 23.24 H new ATOM 0 HD2 HIS A 7 20.968 -34.144 -15.013 1.00 45.33 H new ATOM 0 HE1 HIS A 7 20.270 -36.117 -18.700 1.00 1.14 H new ATOM 0 HE2 HIS A 7 19.881 -33.983 -17.377 1.00 70.33 H new ATOM 117 N HIS A 8 24.675 -34.601 -15.772 1.00 32.42 N ATOM 118 CA HIS A 8 25.059 -33.194 -15.846 1.00 73.25 C ATOM 119 C HIS A 8 23.819 -32.305 -15.819 1.00 42.12 C ATOM 120 O HIS A 8 22.869 -32.518 -16.574 1.00 34.15 O ATOM 121 CB HIS A 8 25.926 -32.903 -17.088 1.00 1.24 C ATOM 122 CG HIS A 8 25.199 -32.917 -18.405 1.00 54.30 C ATOM 123 ND1 HIS A 8 24.935 -31.769 -19.125 1.00 72.52 N ATOM 124 CD2 HIS A 8 24.711 -33.939 -19.147 1.00 4.03 C ATOM 125 CE1 HIS A 8 24.317 -32.087 -20.247 1.00 23.33 C ATOM 126 NE2 HIS A 8 24.169 -33.399 -20.288 1.00 62.03 N ATOM 0 H HIS A 8 24.830 -35.134 -16.628 1.00 32.42 H new ATOM 0 HA HIS A 8 25.668 -32.966 -14.971 1.00 73.25 H new ATOM 0 HB2 HIS A 8 26.394 -31.927 -16.962 1.00 1.24 H new ATOM 0 HB3 HIS A 8 26.729 -33.639 -17.129 1.00 1.24 H new ATOM 0 HD2 HIS A 8 24.742 -34.987 -18.889 1.00 4.03 H new ATOM 0 HE1 HIS A 8 23.988 -31.391 -21.005 1.00 23.33 H new ATOM 0 HE2 HIS A 8 23.726 -33.924 -21.042 1.00 62.03 H new ATOM 135 N SER A 9 23.830 -31.326 -14.929 1.00 70.22 N ATOM 136 CA SER A 9 22.681 -30.459 -14.722 1.00 4.22 C ATOM 137 C SER A 9 22.469 -29.521 -15.907 1.00 1.55 C ATOM 138 O SER A 9 23.387 -28.825 -16.340 1.00 43.25 O ATOM 139 CB SER A 9 22.865 -29.664 -13.430 1.00 41.22 C ATOM 140 OG SER A 9 22.968 -30.541 -12.316 1.00 21.20 O ATOM 0 H SER A 9 24.630 -31.111 -14.333 1.00 70.22 H new ATOM 0 HA SER A 9 21.790 -31.081 -14.637 1.00 4.22 H new ATOM 0 HB2 SER A 9 23.762 -29.048 -13.500 1.00 41.22 H new ATOM 0 HB3 SER A 9 22.023 -28.986 -13.290 1.00 41.22 H new ATOM 0 HG SER A 9 23.087 -30.017 -11.497 1.00 21.20 H new ATOM 146 N HIS A 10 21.253 -29.521 -16.431 1.00 35.14 N ATOM 147 CA HIS A 10 20.909 -28.689 -17.573 1.00 4.43 C ATOM 148 C HIS A 10 20.057 -27.507 -17.127 1.00 30.05 C ATOM 149 O HIS A 10 18.869 -27.658 -16.839 1.00 1.35 O ATOM 150 CB HIS A 10 20.173 -29.525 -18.630 1.00 33.30 C ATOM 151 CG HIS A 10 19.596 -28.728 -19.764 1.00 73.11 C ATOM 152 ND1 HIS A 10 20.341 -28.269 -20.828 1.00 22.24 N ATOM 153 CD2 HIS A 10 18.326 -28.320 -19.996 1.00 63.31 C ATOM 154 CE1 HIS A 10 19.555 -27.614 -21.660 1.00 22.13 C ATOM 155 NE2 HIS A 10 18.326 -27.631 -21.181 1.00 60.44 N ATOM 0 H HIS A 10 20.484 -30.092 -16.081 1.00 35.14 H new ATOM 0 HA HIS A 10 21.825 -28.300 -18.018 1.00 4.43 H new ATOM 0 HB2 HIS A 10 20.864 -30.263 -19.036 1.00 33.30 H new ATOM 0 HB3 HIS A 10 19.368 -30.076 -18.143 1.00 33.30 H new ATOM 0 HD2 HIS A 10 17.470 -28.504 -19.364 1.00 63.31 H new ATOM 0 HE1 HIS A 10 19.866 -27.142 -22.580 1.00 22.13 H new ATOM 0 HE2 HIS A 10 17.511 -27.203 -21.620 1.00 60.44 H new ATOM 164 N MET A 11 20.675 -26.342 -17.054 1.00 65.13 N ATOM 165 CA MET A 11 19.967 -25.124 -16.701 1.00 21.34 C ATOM 166 C MET A 11 20.460 -23.972 -17.563 1.00 21.44 C ATOM 167 O MET A 11 21.439 -23.299 -17.224 1.00 13.42 O ATOM 168 CB MET A 11 20.148 -24.786 -15.217 1.00 31.54 C ATOM 169 CG MET A 11 19.302 -23.606 -14.751 1.00 22.12 C ATOM 170 SD MET A 11 19.631 -23.133 -13.038 1.00 35.42 S ATOM 171 CE MET A 11 21.338 -22.603 -13.157 1.00 43.45 C ATOM 0 H MET A 11 21.670 -26.213 -17.235 1.00 65.13 H new ATOM 0 HA MET A 11 18.904 -25.283 -16.882 1.00 21.34 H new ATOM 0 HB2 MET A 11 19.894 -25.662 -14.620 1.00 31.54 H new ATOM 0 HB3 MET A 11 21.199 -24.565 -15.029 1.00 31.54 H new ATOM 0 HG2 MET A 11 19.491 -22.751 -15.401 1.00 22.12 H new ATOM 0 HG3 MET A 11 18.247 -23.859 -14.856 1.00 22.12 H new ATOM 0 HE1 MET A 11 21.571 -21.937 -12.326 1.00 43.45 H new ATOM 0 HE2 MET A 11 21.993 -23.474 -13.118 1.00 43.45 H new ATOM 0 HE3 MET A 11 21.490 -22.076 -14.099 1.00 43.45 H new ATOM 181 N SER A 12 19.800 -23.767 -18.688 1.00 31.21 N ATOM 182 CA SER A 12 20.157 -22.691 -19.592 1.00 64.50 C ATOM 183 C SER A 12 18.925 -21.841 -19.879 1.00 25.30 C ATOM 184 O SER A 12 18.238 -22.038 -20.884 1.00 41.22 O ATOM 185 CB SER A 12 20.751 -23.253 -20.891 1.00 61.30 C ATOM 186 OG SER A 12 21.259 -22.221 -21.723 1.00 10.04 O ATOM 0 H SER A 12 19.011 -24.334 -18.998 1.00 31.21 H new ATOM 0 HA SER A 12 20.917 -22.065 -19.124 1.00 64.50 H new ATOM 0 HB2 SER A 12 21.550 -23.955 -20.652 1.00 61.30 H new ATOM 0 HB3 SER A 12 19.986 -23.812 -21.430 1.00 61.30 H new ATOM 0 HG SER A 12 21.631 -22.613 -22.540 1.00 10.04 H new ATOM 192 N THR A 13 18.632 -20.923 -18.969 1.00 24.12 N ATOM 193 CA THR A 13 17.437 -20.097 -19.060 1.00 31.52 C ATOM 194 C THR A 13 17.705 -18.699 -18.508 1.00 24.43 C ATOM 195 O THR A 13 18.663 -18.500 -17.760 1.00 0.02 O ATOM 196 CB THR A 13 16.270 -20.734 -18.271 1.00 61.03 C ATOM 197 OG1 THR A 13 16.756 -21.260 -17.028 1.00 74.43 O ATOM 198 CG2 THR A 13 15.595 -21.840 -19.070 1.00 14.40 C ATOM 0 H THR A 13 19.212 -20.731 -18.152 1.00 24.12 H new ATOM 0 HA THR A 13 17.165 -20.025 -20.113 1.00 31.52 H new ATOM 0 HB THR A 13 15.529 -19.958 -18.079 1.00 61.03 H new ATOM 0 HG1 THR A 13 16.013 -21.661 -16.530 1.00 74.43 H new ATOM 0 HG21 THR A 13 14.779 -22.266 -18.485 1.00 14.40 H new ATOM 0 HG22 THR A 13 15.199 -21.429 -19.999 1.00 14.40 H new ATOM 0 HG23 THR A 13 16.322 -22.619 -19.299 1.00 14.40 H new ATOM 206 N PRO A 14 16.878 -17.711 -18.886 1.00 54.13 N ATOM 207 CA PRO A 14 16.941 -16.370 -18.304 1.00 4.32 C ATOM 208 C PRO A 14 16.661 -16.405 -16.803 1.00 40.43 C ATOM 209 O PRO A 14 15.562 -16.763 -16.370 1.00 13.21 O ATOM 210 CB PRO A 14 15.843 -15.590 -19.042 1.00 73.42 C ATOM 211 CG PRO A 14 14.955 -16.630 -19.635 1.00 14.11 C ATOM 212 CD PRO A 14 15.833 -17.815 -19.919 1.00 43.20 C ATOM 0 HA PRO A 14 17.927 -15.918 -18.413 1.00 4.32 H new ATOM 0 HB2 PRO A 14 15.291 -14.945 -18.358 1.00 73.42 H new ATOM 0 HB3 PRO A 14 16.267 -14.948 -19.814 1.00 73.42 H new ATOM 0 HG2 PRO A 14 14.152 -16.896 -18.947 1.00 14.11 H new ATOM 0 HG3 PRO A 14 14.484 -16.266 -20.548 1.00 14.11 H new ATOM 0 HD2 PRO A 14 15.282 -18.752 -19.842 1.00 43.20 H new ATOM 0 HD3 PRO A 14 16.254 -17.774 -20.924 1.00 43.20 H new ATOM 220 N LEU A 15 17.665 -16.052 -16.014 1.00 74.34 N ATOM 221 CA LEU A 15 17.543 -16.082 -14.565 1.00 42.54 C ATOM 222 C LEU A 15 16.819 -14.830 -14.083 1.00 60.34 C ATOM 223 O LEU A 15 17.372 -13.727 -14.114 1.00 72.12 O ATOM 224 CB LEU A 15 18.934 -16.206 -13.923 1.00 74.03 C ATOM 225 CG LEU A 15 18.968 -16.605 -12.440 1.00 32.23 C ATOM 226 CD1 LEU A 15 20.357 -17.092 -12.063 1.00 31.35 C ATOM 227 CD2 LEU A 15 18.579 -15.436 -11.549 1.00 23.51 C ATOM 0 H LEU A 15 18.575 -15.741 -16.354 1.00 74.34 H new ATOM 0 HA LEU A 15 16.957 -16.951 -14.266 1.00 42.54 H new ATOM 0 HB2 LEU A 15 19.507 -16.941 -14.488 1.00 74.03 H new ATOM 0 HB3 LEU A 15 19.447 -15.250 -14.032 1.00 74.03 H new ATOM 0 HG LEU A 15 18.246 -17.408 -12.291 1.00 32.23 H new ATOM 0 HD11 LEU A 15 20.371 -17.372 -11.010 1.00 31.35 H new ATOM 0 HD12 LEU A 15 20.617 -17.958 -12.672 1.00 31.35 H new ATOM 0 HD13 LEU A 15 21.081 -16.296 -12.236 1.00 31.35 H new ATOM 0 HD21 LEU A 15 18.612 -15.748 -10.505 1.00 23.51 H new ATOM 0 HD22 LEU A 15 19.276 -14.613 -11.704 1.00 23.51 H new ATOM 0 HD23 LEU A 15 17.570 -15.109 -11.798 1.00 23.51 H new ATOM 239 N THR A 16 15.576 -15.009 -13.658 1.00 72.22 N ATOM 240 CA THR A 16 14.748 -13.904 -13.206 1.00 4.30 C ATOM 241 C THR A 16 14.317 -14.092 -11.752 1.00 42.21 C ATOM 242 O THR A 16 13.547 -15.000 -11.426 1.00 51.51 O ATOM 243 CB THR A 16 13.500 -13.739 -14.100 1.00 54.33 C ATOM 244 OG1 THR A 16 12.868 -15.011 -14.318 1.00 34.54 O ATOM 245 CG2 THR A 16 13.868 -13.115 -15.438 1.00 24.02 C ATOM 0 H THR A 16 15.117 -15.919 -13.618 1.00 72.22 H new ATOM 0 HA THR A 16 15.353 -13.000 -13.277 1.00 4.30 H new ATOM 0 HB THR A 16 12.805 -13.076 -13.585 1.00 54.33 H new ATOM 0 HG1 THR A 16 12.853 -15.517 -13.479 1.00 34.54 H new ATOM 0 HG21 THR A 16 12.972 -13.010 -16.049 1.00 24.02 H new ATOM 0 HG22 THR A 16 14.312 -12.133 -15.272 1.00 24.02 H new ATOM 0 HG23 THR A 16 14.585 -13.755 -15.953 1.00 24.02 H new ATOM 253 N GLY A 17 14.833 -13.239 -10.879 1.00 61.52 N ATOM 254 CA GLY A 17 14.466 -13.296 -9.479 1.00 30.53 C ATOM 255 C GLY A 17 13.543 -12.159 -9.089 1.00 3.15 C ATOM 256 O GLY A 17 13.999 -11.074 -8.728 1.00 61.31 O ATOM 0 H GLY A 17 15.502 -12.506 -11.116 1.00 61.52 H new ATOM 0 HA2 GLY A 17 13.977 -14.248 -9.270 1.00 30.53 H new ATOM 0 HA3 GLY A 17 15.367 -13.259 -8.866 1.00 30.53 H new ATOM 260 N LYS A 18 12.244 -12.401 -9.177 1.00 44.52 N ATOM 261 CA LYS A 18 11.256 -11.383 -8.846 1.00 74.33 C ATOM 262 C LYS A 18 10.590 -11.691 -7.507 1.00 62.31 C ATOM 263 O LYS A 18 9.895 -12.698 -7.371 1.00 30.21 O ATOM 264 CB LYS A 18 10.207 -11.273 -9.950 1.00 74.33 C ATOM 265 CG LYS A 18 9.287 -10.075 -9.782 1.00 45.13 C ATOM 266 CD LYS A 18 8.399 -9.858 -10.998 1.00 23.01 C ATOM 267 CE LYS A 18 7.157 -10.737 -10.980 1.00 20.45 C ATOM 268 NZ LYS A 18 7.465 -12.189 -11.088 1.00 14.14 N ATOM 0 H LYS A 18 11.849 -13.293 -9.475 1.00 44.52 H new ATOM 0 HA LYS A 18 11.770 -10.426 -8.761 1.00 74.33 H new ATOM 0 HB2 LYS A 18 10.710 -11.205 -10.915 1.00 74.33 H new ATOM 0 HB3 LYS A 18 9.608 -12.184 -9.966 1.00 74.33 H new ATOM 0 HG2 LYS A 18 8.663 -10.219 -8.900 1.00 45.13 H new ATOM 0 HG3 LYS A 18 9.886 -9.181 -9.607 1.00 45.13 H new ATOM 0 HD2 LYS A 18 8.098 -8.811 -11.041 1.00 23.01 H new ATOM 0 HD3 LYS A 18 8.972 -10.063 -11.903 1.00 23.01 H new ATOM 0 HE2 LYS A 18 6.606 -10.557 -10.057 1.00 20.45 H new ATOM 0 HE3 LYS A 18 6.504 -10.449 -11.803 1.00 20.45 H new ATOM 0 HZ1 LYS A 18 6.679 -12.676 -11.564 1.00 14.14 H new ATOM 0 HZ2 LYS A 18 8.338 -12.319 -11.639 1.00 14.14 H new ATOM 0 HZ3 LYS A 18 7.594 -12.588 -10.136 1.00 14.14 H new ATOM 282 N PRO A 19 10.813 -10.836 -6.499 1.00 3.11 N ATOM 283 CA PRO A 19 10.222 -11.000 -5.174 1.00 30.53 C ATOM 284 C PRO A 19 8.761 -10.564 -5.138 1.00 34.02 C ATOM 285 O PRO A 19 8.444 -9.393 -5.351 1.00 50.53 O ATOM 286 CB PRO A 19 11.073 -10.086 -4.275 1.00 31.54 C ATOM 287 CG PRO A 19 12.159 -9.539 -5.146 1.00 14.22 C ATOM 288 CD PRO A 19 11.667 -9.648 -6.558 1.00 70.34 C ATOM 0 HA PRO A 19 10.222 -12.043 -4.859 1.00 30.53 H new ATOM 0 HB2 PRO A 19 10.469 -9.282 -3.854 1.00 31.54 H new ATOM 0 HB3 PRO A 19 11.490 -10.644 -3.436 1.00 31.54 H new ATOM 0 HG2 PRO A 19 12.377 -8.502 -4.890 1.00 14.22 H new ATOM 0 HG3 PRO A 19 13.083 -10.101 -5.013 1.00 14.22 H new ATOM 0 HD2 PRO A 19 11.111 -8.762 -6.865 1.00 70.34 H new ATOM 0 HD3 PRO A 19 12.487 -9.771 -7.266 1.00 70.34 H new ATOM 296 N GLY A 20 7.871 -11.508 -4.872 1.00 52.14 N ATOM 297 CA GLY A 20 6.465 -11.184 -4.761 1.00 35.24 C ATOM 298 C GLY A 20 6.090 -10.809 -3.343 1.00 14.43 C ATOM 299 O GLY A 20 5.329 -11.519 -2.682 1.00 64.11 O ATOM 0 H GLY A 20 8.098 -12.492 -4.731 1.00 52.14 H new ATOM 0 HA2 GLY A 20 6.227 -10.358 -5.431 1.00 35.24 H new ATOM 0 HA3 GLY A 20 5.868 -12.037 -5.082 1.00 35.24 H new ATOM 303 N ALA A 21 6.633 -9.692 -2.873 1.00 61.43 N ATOM 304 CA ALA A 21 6.396 -9.234 -1.511 1.00 24.23 C ATOM 305 C ALA A 21 6.398 -7.710 -1.441 1.00 64.20 C ATOM 306 O ALA A 21 6.369 -7.031 -2.473 1.00 70.32 O ATOM 307 CB ALA A 21 7.449 -9.810 -0.576 1.00 2.11 C ATOM 0 H ALA A 21 7.244 -9.084 -3.419 1.00 61.43 H new ATOM 0 HA ALA A 21 5.413 -9.585 -1.196 1.00 24.23 H new ATOM 0 HB1 ALA A 21 7.263 -9.462 0.440 1.00 2.11 H new ATOM 0 HB2 ALA A 21 7.401 -10.899 -0.601 1.00 2.11 H new ATOM 0 HB3 ALA A 21 8.438 -9.483 -0.896 1.00 2.11 H new ATOM 313 N LEU A 22 6.420 -7.182 -0.225 1.00 62.14 N ATOM 314 CA LEU A 22 6.452 -5.743 -0.008 1.00 72.11 C ATOM 315 C LEU A 22 7.793 -5.322 0.575 1.00 21.42 C ATOM 316 O LEU A 22 8.473 -6.126 1.216 1.00 42.05 O ATOM 317 CB LEU A 22 5.339 -5.321 0.954 1.00 33.32 C ATOM 318 CG LEU A 22 3.911 -5.559 0.469 1.00 33.11 C ATOM 319 CD1 LEU A 22 2.920 -5.144 1.542 1.00 14.10 C ATOM 320 CD2 LEU A 22 3.646 -4.793 -0.817 1.00 71.35 C ATOM 0 H LEU A 22 6.416 -7.734 0.632 1.00 62.14 H new ATOM 0 HA LEU A 22 6.304 -5.256 -0.972 1.00 72.11 H new ATOM 0 HB2 LEU A 22 5.476 -5.855 1.894 1.00 33.32 H new ATOM 0 HB3 LEU A 22 5.456 -4.259 1.171 1.00 33.32 H new ATOM 0 HG LEU A 22 3.788 -6.623 0.266 1.00 33.11 H new ATOM 0 HD11 LEU A 22 1.904 -5.318 1.186 1.00 14.10 H new ATOM 0 HD12 LEU A 22 3.094 -5.731 2.444 1.00 14.10 H new ATOM 0 HD13 LEU A 22 3.049 -4.085 1.767 1.00 14.10 H new ATOM 0 HD21 LEU A 22 2.623 -4.976 -1.146 1.00 71.35 H new ATOM 0 HD22 LEU A 22 3.785 -3.726 -0.640 1.00 71.35 H new ATOM 0 HD23 LEU A 22 4.340 -5.126 -1.589 1.00 71.35 H new ATOM 332 N PRO A 23 8.198 -4.063 0.355 1.00 10.34 N ATOM 333 CA PRO A 23 9.384 -3.501 0.993 1.00 33.00 C ATOM 334 C PRO A 23 9.129 -3.194 2.468 1.00 10.12 C ATOM 335 O PRO A 23 7.990 -3.239 2.933 1.00 2.33 O ATOM 336 CB PRO A 23 9.636 -2.215 0.204 1.00 54.11 C ATOM 337 CG PRO A 23 8.294 -1.817 -0.307 1.00 54.21 C ATOM 338 CD PRO A 23 7.539 -3.096 -0.543 1.00 4.31 C ATOM 0 HA PRO A 23 10.233 -4.185 0.980 1.00 33.00 H new ATOM 0 HB2 PRO A 23 10.065 -1.439 0.838 1.00 54.11 H new ATOM 0 HB3 PRO A 23 10.337 -2.383 -0.613 1.00 54.11 H new ATOM 0 HG2 PRO A 23 7.775 -1.186 0.414 1.00 54.21 H new ATOM 0 HG3 PRO A 23 8.383 -1.242 -1.229 1.00 54.21 H new ATOM 0 HD2 PRO A 23 6.481 -2.986 -0.305 1.00 4.31 H new ATOM 0 HD3 PRO A 23 7.601 -3.411 -1.585 1.00 4.31 H new ATOM 346 N ALA A 24 10.185 -2.878 3.198 1.00 62.14 N ATOM 347 CA ALA A 24 10.067 -2.610 4.623 1.00 72.51 C ATOM 348 C ALA A 24 9.783 -1.136 4.882 1.00 75.23 C ATOM 349 O ALA A 24 9.318 -0.762 5.957 1.00 74.33 O ATOM 350 CB ALA A 24 11.338 -3.034 5.341 1.00 50.33 C ATOM 0 H ALA A 24 11.133 -2.801 2.829 1.00 62.14 H new ATOM 0 HA ALA A 24 9.228 -3.189 5.010 1.00 72.51 H new ATOM 0 HB1 ALA A 24 11.239 -2.829 6.407 1.00 50.33 H new ATOM 0 HB2 ALA A 24 11.502 -4.101 5.190 1.00 50.33 H new ATOM 0 HB3 ALA A 24 12.185 -2.476 4.941 1.00 50.33 H new ATOM 356 N ASN A 25 10.042 -0.307 3.881 1.00 62.20 N ATOM 357 CA ASN A 25 9.948 1.143 4.033 1.00 52.32 C ATOM 358 C ASN A 25 8.556 1.657 3.678 1.00 10.21 C ATOM 359 O ASN A 25 8.407 2.779 3.198 1.00 61.35 O ATOM 360 CB ASN A 25 10.997 1.835 3.153 1.00 73.33 C ATOM 361 CG ASN A 25 12.428 1.569 3.597 1.00 0.42 C ATOM 362 OD1 ASN A 25 12.742 0.506 4.138 1.00 14.52 O ATOM 363 ND2 ASN A 25 13.310 2.527 3.358 1.00 21.14 N ATOM 0 H ASN A 25 10.321 -0.613 2.949 1.00 62.20 H new ATOM 0 HA ASN A 25 10.137 1.378 5.080 1.00 52.32 H new ATOM 0 HB2 ASN A 25 10.875 1.499 2.123 1.00 73.33 H new ATOM 0 HB3 ASN A 25 10.816 2.910 3.161 1.00 73.33 H new ATOM 0 HD21 ASN A 25 14.287 2.399 3.623 1.00 21.14 H new ATOM 0 HD22 ASN A 25 13.013 3.393 2.908 1.00 21.14 H new ATOM 370 N LEU A 26 7.536 0.852 3.961 1.00 12.41 N ATOM 371 CA LEU A 26 6.155 1.196 3.618 1.00 54.12 C ATOM 372 C LEU A 26 5.718 2.504 4.273 1.00 52.52 C ATOM 373 O LEU A 26 4.986 3.296 3.676 1.00 70.24 O ATOM 374 CB LEU A 26 5.209 0.070 4.042 1.00 52.51 C ATOM 375 CG LEU A 26 5.421 -1.262 3.322 1.00 41.43 C ATOM 376 CD1 LEU A 26 4.492 -2.325 3.886 1.00 22.11 C ATOM 377 CD2 LEU A 26 5.196 -1.103 1.826 1.00 70.22 C ATOM 0 H LEU A 26 7.638 -0.048 4.429 1.00 12.41 H new ATOM 0 HA LEU A 26 6.110 1.327 2.537 1.00 54.12 H new ATOM 0 HB2 LEU A 26 5.321 -0.093 5.114 1.00 52.51 H new ATOM 0 HB3 LEU A 26 4.183 0.396 3.874 1.00 52.51 H new ATOM 0 HG LEU A 26 6.451 -1.579 3.484 1.00 41.43 H new ATOM 0 HD11 LEU A 26 4.656 -3.267 3.362 1.00 22.11 H new ATOM 0 HD12 LEU A 26 4.696 -2.460 4.948 1.00 22.11 H new ATOM 0 HD13 LEU A 26 3.457 -2.011 3.753 1.00 22.11 H new ATOM 0 HD21 LEU A 26 5.351 -2.061 1.331 1.00 70.22 H new ATOM 0 HD22 LEU A 26 4.176 -0.762 1.646 1.00 70.22 H new ATOM 0 HD23 LEU A 26 5.899 -0.371 1.428 1.00 70.22 H new ATOM 389 N ASP A 27 6.178 2.738 5.494 1.00 61.21 N ATOM 390 CA ASP A 27 5.792 3.931 6.238 1.00 54.13 C ATOM 391 C ASP A 27 6.679 5.115 5.867 1.00 1.25 C ATOM 392 O ASP A 27 6.342 6.267 6.144 1.00 34.20 O ATOM 393 CB ASP A 27 5.862 3.675 7.745 1.00 20.11 C ATOM 394 CG ASP A 27 7.271 3.404 8.234 1.00 74.55 C ATOM 395 OD1 ASP A 27 7.918 2.471 7.715 1.00 5.51 O ATOM 396 OD2 ASP A 27 7.728 4.110 9.157 1.00 24.24 O ATOM 0 H ASP A 27 6.818 2.119 5.991 1.00 61.21 H new ATOM 0 HA ASP A 27 4.763 4.172 5.971 1.00 54.13 H new ATOM 0 HB2 ASP A 27 5.459 4.539 8.274 1.00 20.11 H new ATOM 0 HB3 ASP A 27 5.227 2.825 7.994 1.00 20.11 H new ATOM 401 N ASP A 28 7.806 4.820 5.231 1.00 53.40 N ATOM 402 CA ASP A 28 8.740 5.855 4.790 1.00 54.22 C ATOM 403 C ASP A 28 8.309 6.416 3.440 1.00 21.03 C ATOM 404 O ASP A 28 8.453 7.612 3.169 1.00 61.21 O ATOM 405 CB ASP A 28 10.160 5.286 4.687 1.00 54.22 C ATOM 406 CG ASP A 28 11.146 6.283 4.113 1.00 73.11 C ATOM 407 OD1 ASP A 28 11.726 7.070 4.892 1.00 43.51 O ATOM 408 OD2 ASP A 28 11.348 6.288 2.880 1.00 61.14 O ATOM 0 H ASP A 28 8.098 3.869 5.007 1.00 53.40 H new ATOM 0 HA ASP A 28 8.735 6.659 5.526 1.00 54.22 H new ATOM 0 HB2 ASP A 28 10.496 4.976 5.677 1.00 54.22 H new ATOM 0 HB3 ASP A 28 10.145 4.393 4.062 1.00 54.22 H new ATOM 413 N MET A 29 7.770 5.540 2.606 1.00 63.03 N ATOM 414 CA MET A 29 7.299 5.914 1.278 1.00 63.53 C ATOM 415 C MET A 29 6.162 6.929 1.369 1.00 62.02 C ATOM 416 O MET A 29 5.495 7.037 2.396 1.00 52.42 O ATOM 417 CB MET A 29 6.831 4.667 0.524 1.00 71.14 C ATOM 418 CG MET A 29 7.941 3.655 0.277 1.00 53.44 C ATOM 419 SD MET A 29 7.319 2.044 -0.252 1.00 62.43 S ATOM 420 CE MET A 29 6.518 2.474 -1.794 1.00 33.44 C ATOM 0 H MET A 29 7.646 4.552 2.828 1.00 63.03 H new ATOM 0 HA MET A 29 8.124 6.375 0.736 1.00 63.53 H new ATOM 0 HB2 MET A 29 6.033 4.188 1.091 1.00 71.14 H new ATOM 0 HB3 MET A 29 6.406 4.969 -0.433 1.00 71.14 H new ATOM 0 HG2 MET A 29 8.618 4.045 -0.483 1.00 53.44 H new ATOM 0 HG3 MET A 29 8.523 3.532 1.190 1.00 53.44 H new ATOM 0 HE1 MET A 29 6.209 1.565 -2.310 1.00 33.44 H new ATOM 0 HE2 MET A 29 5.642 3.090 -1.590 1.00 33.44 H new ATOM 0 HE3 MET A 29 7.214 3.029 -2.423 1.00 33.44 H new ATOM 430 N LYS A 30 5.961 7.682 0.296 1.00 45.12 N ATOM 431 CA LYS A 30 4.895 8.677 0.248 1.00 3.53 C ATOM 432 C LYS A 30 3.535 8.005 0.132 1.00 51.44 C ATOM 433 O LYS A 30 3.436 6.781 0.022 1.00 5.41 O ATOM 434 CB LYS A 30 5.066 9.598 -0.957 1.00 40.42 C ATOM 435 CG LYS A 30 6.479 10.075 -1.196 1.00 22.12 C ATOM 436 CD LYS A 30 6.550 10.883 -2.476 1.00 42.23 C ATOM 437 CE LYS A 30 7.975 11.054 -2.954 1.00 11.12 C ATOM 438 NZ LYS A 30 8.592 9.758 -3.343 1.00 72.33 N ATOM 0 H LYS A 30 6.522 7.624 -0.554 1.00 45.12 H new ATOM 0 HA LYS A 30 4.952 9.254 1.171 1.00 3.53 H new ATOM 0 HB2 LYS A 30 4.719 9.075 -1.848 1.00 40.42 H new ATOM 0 HB3 LYS A 30 4.422 10.467 -0.826 1.00 40.42 H new ATOM 0 HG2 LYS A 30 6.812 10.683 -0.355 1.00 22.12 H new ATOM 0 HG3 LYS A 30 7.153 9.221 -1.259 1.00 22.12 H new ATOM 0 HD2 LYS A 30 5.964 10.389 -3.251 1.00 42.23 H new ATOM 0 HD3 LYS A 30 6.101 11.863 -2.313 1.00 42.23 H new ATOM 0 HE2 LYS A 30 7.992 11.734 -3.806 1.00 11.12 H new ATOM 0 HE3 LYS A 30 8.569 11.516 -2.165 1.00 11.12 H new ATOM 0 HZ1 LYS A 30 9.543 9.928 -3.728 1.00 72.33 H new ATOM 0 HZ2 LYS A 30 8.661 9.142 -2.508 1.00 72.33 H new ATOM 0 HZ3 LYS A 30 8.004 9.296 -4.066 1.00 72.33 H new ATOM 452 N VAL A 31 2.491 8.818 0.107 1.00 20.52 N ATOM 453 CA VAL A 31 1.140 8.314 -0.086 1.00 52.13 C ATOM 454 C VAL A 31 0.978 7.820 -1.521 1.00 11.14 C ATOM 455 O VAL A 31 0.445 6.736 -1.764 1.00 42.14 O ATOM 456 CB VAL A 31 0.075 9.393 0.216 1.00 41.23 C ATOM 457 CG1 VAL A 31 -1.329 8.821 0.084 1.00 74.03 C ATOM 458 CG2 VAL A 31 0.288 9.979 1.603 1.00 51.32 C ATOM 0 H VAL A 31 2.553 9.830 0.218 1.00 20.52 H new ATOM 0 HA VAL A 31 0.988 7.491 0.613 1.00 52.13 H new ATOM 0 HB VAL A 31 0.184 10.193 -0.516 1.00 41.23 H new ATOM 0 HG11 VAL A 31 -2.061 9.599 0.301 1.00 74.03 H new ATOM 0 HG12 VAL A 31 -1.479 8.455 -0.932 1.00 74.03 H new ATOM 0 HG13 VAL A 31 -1.454 7.998 0.788 1.00 74.03 H new ATOM 0 HG21 VAL A 31 -0.471 10.737 1.798 1.00 51.32 H new ATOM 0 HG22 VAL A 31 0.211 9.187 2.348 1.00 51.32 H new ATOM 0 HG23 VAL A 31 1.277 10.433 1.658 1.00 51.32 H new ATOM 468 N ALA A 32 1.473 8.613 -2.467 1.00 63.31 N ATOM 469 CA ALA A 32 1.416 8.253 -3.875 1.00 71.14 C ATOM 470 C ALA A 32 2.241 7.002 -4.152 1.00 40.44 C ATOM 471 O ALA A 32 1.870 6.183 -4.988 1.00 53.35 O ATOM 472 CB ALA A 32 1.897 9.407 -4.741 1.00 44.15 C ATOM 0 H ALA A 32 1.919 9.511 -2.280 1.00 63.31 H new ATOM 0 HA ALA A 32 0.377 8.038 -4.126 1.00 71.14 H new ATOM 0 HB1 ALA A 32 1.847 9.119 -5.791 1.00 44.15 H new ATOM 0 HB2 ALA A 32 1.263 10.277 -4.573 1.00 44.15 H new ATOM 0 HB3 ALA A 32 2.926 9.653 -4.481 1.00 44.15 H new ATOM 478 N GLU A 33 3.350 6.853 -3.432 1.00 20.45 N ATOM 479 CA GLU A 33 4.229 5.696 -3.599 1.00 44.51 C ATOM 480 C GLU A 33 3.492 4.406 -3.260 1.00 54.41 C ATOM 481 O GLU A 33 3.635 3.396 -3.951 1.00 11.42 O ATOM 482 CB GLU A 33 5.459 5.820 -2.704 1.00 33.40 C ATOM 483 CG GLU A 33 6.300 7.056 -2.965 1.00 14.42 C ATOM 484 CD GLU A 33 6.958 7.055 -4.325 1.00 62.20 C ATOM 485 OE1 GLU A 33 7.591 6.039 -4.685 1.00 14.33 O ATOM 486 OE2 GLU A 33 6.888 8.093 -5.016 1.00 24.12 O ATOM 0 H GLU A 33 3.663 7.519 -2.726 1.00 20.45 H new ATOM 0 HA GLU A 33 4.544 5.667 -4.642 1.00 44.51 H new ATOM 0 HB2 GLU A 33 5.137 5.827 -1.663 1.00 33.40 H new ATOM 0 HB3 GLU A 33 6.082 4.936 -2.838 1.00 33.40 H new ATOM 0 HG2 GLU A 33 5.670 7.941 -2.874 1.00 14.42 H new ATOM 0 HG3 GLU A 33 7.070 7.132 -2.197 1.00 14.42 H new ATOM 493 N LEU A 34 2.705 4.446 -2.191 1.00 52.01 N ATOM 494 CA LEU A 34 1.914 3.295 -1.784 1.00 51.44 C ATOM 495 C LEU A 34 0.827 3.013 -2.815 1.00 63.15 C ATOM 496 O LEU A 34 0.540 1.859 -3.136 1.00 63.00 O ATOM 497 CB LEU A 34 1.288 3.540 -0.409 1.00 52.12 C ATOM 498 CG LEU A 34 2.283 3.839 0.716 1.00 54.44 C ATOM 499 CD1 LEU A 34 1.549 4.077 2.027 1.00 44.02 C ATOM 500 CD2 LEU A 34 3.284 2.704 0.862 1.00 21.00 C ATOM 0 H LEU A 34 2.599 5.264 -1.591 1.00 52.01 H new ATOM 0 HA LEU A 34 2.569 2.426 -1.719 1.00 51.44 H new ATOM 0 HB2 LEU A 34 0.592 4.375 -0.488 1.00 52.12 H new ATOM 0 HB3 LEU A 34 0.704 2.663 -0.132 1.00 52.12 H new ATOM 0 HG LEU A 34 2.830 4.746 0.458 1.00 54.44 H new ATOM 0 HD11 LEU A 34 2.272 4.288 2.815 1.00 44.02 H new ATOM 0 HD12 LEU A 34 0.874 4.926 1.917 1.00 44.02 H new ATOM 0 HD13 LEU A 34 0.975 3.188 2.289 1.00 44.02 H new ATOM 0 HD21 LEU A 34 3.982 2.936 1.666 1.00 21.00 H new ATOM 0 HD22 LEU A 34 2.755 1.780 1.096 1.00 21.00 H new ATOM 0 HD23 LEU A 34 3.834 2.581 -0.071 1.00 21.00 H new ATOM 512 N LYS A 35 0.244 4.082 -3.350 1.00 13.30 N ATOM 513 CA LYS A 35 -0.776 3.963 -4.388 1.00 21.22 C ATOM 514 C LYS A 35 -0.201 3.321 -5.648 1.00 13.54 C ATOM 515 O LYS A 35 -0.912 2.635 -6.382 1.00 13.43 O ATOM 516 CB LYS A 35 -1.367 5.337 -4.717 1.00 4.34 C ATOM 517 CG LYS A 35 -2.160 5.946 -3.573 1.00 5.34 C ATOM 518 CD LYS A 35 -2.698 7.323 -3.924 1.00 61.24 C ATOM 519 CE LYS A 35 -3.625 7.844 -2.838 1.00 44.45 C ATOM 520 NZ LYS A 35 -4.183 9.182 -3.165 1.00 23.21 N ATOM 0 H LYS A 35 0.461 5.042 -3.082 1.00 13.30 H new ATOM 0 HA LYS A 35 -1.570 3.320 -4.009 1.00 21.22 H new ATOM 0 HB2 LYS A 35 -0.559 6.015 -4.990 1.00 4.34 H new ATOM 0 HB3 LYS A 35 -2.014 5.246 -5.589 1.00 4.34 H new ATOM 0 HG2 LYS A 35 -2.989 5.287 -3.316 1.00 5.34 H new ATOM 0 HG3 LYS A 35 -1.525 6.019 -2.690 1.00 5.34 H new ATOM 0 HD2 LYS A 35 -1.868 8.016 -4.061 1.00 61.24 H new ATOM 0 HD3 LYS A 35 -3.234 7.276 -4.872 1.00 61.24 H new ATOM 0 HE2 LYS A 35 -4.442 7.138 -2.692 1.00 44.45 H new ATOM 0 HE3 LYS A 35 -3.081 7.901 -1.895 1.00 44.45 H new ATOM 0 HZ1 LYS A 35 -4.808 9.495 -2.395 1.00 23.21 H new ATOM 0 HZ2 LYS A 35 -3.406 9.864 -3.279 1.00 23.21 H new ATOM 0 HZ3 LYS A 35 -4.726 9.125 -4.050 1.00 23.21 H new ATOM 534 N GLN A 36 1.089 3.541 -5.887 1.00 70.03 N ATOM 535 CA GLN A 36 1.773 2.933 -7.023 1.00 2.40 C ATOM 536 C GLN A 36 1.726 1.412 -6.911 1.00 13.05 C ATOM 537 O GLN A 36 1.374 0.724 -7.866 1.00 75.21 O ATOM 538 CB GLN A 36 3.225 3.412 -7.102 1.00 64.03 C ATOM 539 CG GLN A 36 3.359 4.906 -7.353 1.00 11.23 C ATOM 540 CD GLN A 36 2.865 5.322 -8.725 1.00 75.44 C ATOM 541 OE1 GLN A 36 2.313 6.410 -8.897 1.00 42.42 O ATOM 542 NE2 GLN A 36 3.103 4.484 -9.718 1.00 72.12 N ATOM 0 H GLN A 36 1.682 4.136 -5.308 1.00 70.03 H new ATOM 0 HA GLN A 36 1.261 3.238 -7.936 1.00 2.40 H new ATOM 0 HB2 GLN A 36 3.733 3.161 -6.171 1.00 64.03 H new ATOM 0 HB3 GLN A 36 3.735 2.871 -7.899 1.00 64.03 H new ATOM 0 HG2 GLN A 36 2.799 5.449 -6.591 1.00 11.23 H new ATOM 0 HG3 GLN A 36 4.405 5.195 -7.246 1.00 11.23 H new ATOM 0 HE21 GLN A 36 3.563 3.592 -9.534 1.00 72.12 H new ATOM 0 HE22 GLN A 36 2.827 4.729 -10.669 1.00 72.12 H new ATOM 551 N GLU A 37 2.063 0.901 -5.732 1.00 63.14 N ATOM 552 CA GLU A 37 2.026 -0.537 -5.481 1.00 54.51 C ATOM 553 C GLU A 37 0.605 -1.065 -5.609 1.00 23.14 C ATOM 554 O GLU A 37 0.373 -2.113 -6.208 1.00 61.14 O ATOM 555 CB GLU A 37 2.565 -0.859 -4.086 1.00 25.10 C ATOM 556 CG GLU A 37 4.040 -0.544 -3.911 1.00 24.50 C ATOM 557 CD GLU A 37 4.910 -1.286 -4.904 1.00 15.25 C ATOM 558 OE1 GLU A 37 4.898 -2.536 -4.896 1.00 40.13 O ATOM 559 OE2 GLU A 37 5.610 -0.622 -5.696 1.00 64.11 O ATOM 0 H GLU A 37 2.365 1.460 -4.934 1.00 63.14 H new ATOM 0 HA GLU A 37 2.658 -1.022 -6.225 1.00 54.51 H new ATOM 0 HB2 GLU A 37 1.993 -0.298 -3.347 1.00 25.10 H new ATOM 0 HB3 GLU A 37 2.402 -1.917 -3.879 1.00 25.10 H new ATOM 0 HG2 GLU A 37 4.196 0.529 -4.026 1.00 24.50 H new ATOM 0 HG3 GLU A 37 4.347 -0.804 -2.898 1.00 24.50 H new ATOM 566 N LEU A 38 -0.337 -0.322 -5.043 1.00 20.43 N ATOM 567 CA LEU A 38 -1.741 -0.702 -5.067 1.00 32.04 C ATOM 568 C LEU A 38 -2.245 -0.888 -6.495 1.00 23.23 C ATOM 569 O LEU A 38 -2.718 -1.964 -6.856 1.00 12.24 O ATOM 570 CB LEU A 38 -2.587 0.351 -4.349 1.00 13.44 C ATOM 571 CG LEU A 38 -2.328 0.485 -2.848 1.00 12.12 C ATOM 572 CD1 LEU A 38 -3.039 1.704 -2.296 1.00 65.10 C ATOM 573 CD2 LEU A 38 -2.783 -0.765 -2.109 1.00 22.22 C ATOM 0 H LEU A 38 -0.150 0.555 -4.558 1.00 20.43 H new ATOM 0 HA LEU A 38 -1.835 -1.656 -4.548 1.00 32.04 H new ATOM 0 HB2 LEU A 38 -2.410 1.318 -4.819 1.00 13.44 H new ATOM 0 HB3 LEU A 38 -3.640 0.112 -4.499 1.00 13.44 H new ATOM 0 HG LEU A 38 -1.255 0.605 -2.697 1.00 12.12 H new ATOM 0 HD11 LEU A 38 -2.845 1.785 -1.227 1.00 65.10 H new ATOM 0 HD12 LEU A 38 -2.673 2.598 -2.800 1.00 65.10 H new ATOM 0 HD13 LEU A 38 -4.112 1.607 -2.464 1.00 65.10 H new ATOM 0 HD21 LEU A 38 -2.589 -0.648 -1.043 1.00 22.22 H new ATOM 0 HD22 LEU A 38 -3.851 -0.914 -2.270 1.00 22.22 H new ATOM 0 HD23 LEU A 38 -2.235 -1.629 -2.485 1.00 22.22 H new ATOM 585 N LYS A 39 -2.117 0.149 -7.313 1.00 11.41 N ATOM 586 CA LYS A 39 -2.668 0.119 -8.665 1.00 40.13 C ATOM 587 C LYS A 39 -1.971 -0.930 -9.535 1.00 53.44 C ATOM 588 O LYS A 39 -2.604 -1.548 -10.389 1.00 12.44 O ATOM 589 CB LYS A 39 -2.584 1.509 -9.308 1.00 22.43 C ATOM 590 CG LYS A 39 -1.170 2.045 -9.455 1.00 13.13 C ATOM 591 CD LYS A 39 -1.175 3.510 -9.863 1.00 73.22 C ATOM 592 CE LYS A 39 -1.863 3.718 -11.203 1.00 1.14 C ATOM 593 NZ LYS A 39 -1.958 5.160 -11.550 1.00 35.23 N ATOM 0 H LYS A 39 -1.640 1.017 -7.068 1.00 11.41 H new ATOM 0 HA LYS A 39 -3.717 -0.167 -8.592 1.00 40.13 H new ATOM 0 HB2 LYS A 39 -3.049 1.470 -10.293 1.00 22.43 H new ATOM 0 HB3 LYS A 39 -3.165 2.210 -8.708 1.00 22.43 H new ATOM 0 HG2 LYS A 39 -0.635 1.929 -8.512 1.00 13.13 H new ATOM 0 HG3 LYS A 39 -0.632 1.459 -10.201 1.00 13.13 H new ATOM 0 HD2 LYS A 39 -1.682 4.099 -9.098 1.00 73.22 H new ATOM 0 HD3 LYS A 39 -0.150 3.876 -9.920 1.00 73.22 H new ATOM 0 HE2 LYS A 39 -1.311 3.191 -11.982 1.00 1.14 H new ATOM 0 HE3 LYS A 39 -2.862 3.284 -11.171 1.00 1.14 H new ATOM 0 HZ1 LYS A 39 -2.432 5.265 -12.470 1.00 35.23 H new ATOM 0 HZ2 LYS A 39 -2.505 5.658 -10.819 1.00 35.23 H new ATOM 0 HZ3 LYS A 39 -1.003 5.568 -11.605 1.00 35.23 H new ATOM 607 N LEU A 40 -0.680 -1.153 -9.297 1.00 3.10 N ATOM 608 CA LEU A 40 0.077 -2.132 -10.073 1.00 52.25 C ATOM 609 C LEU A 40 -0.330 -3.557 -9.709 1.00 54.42 C ATOM 610 O LEU A 40 -0.248 -4.464 -10.538 1.00 13.33 O ATOM 611 CB LEU A 40 1.586 -1.952 -9.860 1.00 74.10 C ATOM 612 CG LEU A 40 2.172 -0.651 -10.412 1.00 23.51 C ATOM 613 CD1 LEU A 40 3.661 -0.573 -10.115 1.00 71.45 C ATOM 614 CD2 LEU A 40 1.917 -0.545 -11.910 1.00 51.42 C ATOM 0 H LEU A 40 -0.139 -0.672 -8.578 1.00 3.10 H new ATOM 0 HA LEU A 40 -0.153 -1.963 -11.125 1.00 52.25 H new ATOM 0 HB2 LEU A 40 1.794 -2.000 -8.791 1.00 74.10 H new ATOM 0 HB3 LEU A 40 2.105 -2.791 -10.324 1.00 74.10 H new ATOM 0 HG LEU A 40 1.679 0.188 -9.921 1.00 23.51 H new ATOM 0 HD11 LEU A 40 4.063 0.358 -10.514 1.00 71.45 H new ATOM 0 HD12 LEU A 40 3.819 -0.604 -9.037 1.00 71.45 H new ATOM 0 HD13 LEU A 40 4.170 -1.417 -10.581 1.00 71.45 H new ATOM 0 HD21 LEU A 40 2.340 0.386 -12.286 1.00 51.42 H new ATOM 0 HD22 LEU A 40 2.384 -1.388 -12.419 1.00 51.42 H new ATOM 0 HD23 LEU A 40 0.843 -0.557 -12.098 1.00 51.42 H new ATOM 626 N ARG A 41 -0.781 -3.750 -8.474 1.00 72.04 N ATOM 627 CA ARG A 41 -1.171 -5.074 -8.004 1.00 22.01 C ATOM 628 C ARG A 41 -2.692 -5.209 -7.962 1.00 64.04 C ATOM 629 O ARG A 41 -3.223 -6.140 -7.355 1.00 4.14 O ATOM 630 CB ARG A 41 -0.584 -5.339 -6.615 1.00 65.51 C ATOM 631 CG ARG A 41 0.926 -5.170 -6.540 1.00 31.11 C ATOM 632 CD ARG A 41 1.454 -5.485 -5.148 1.00 5.32 C ATOM 633 NE ARG A 41 2.812 -4.986 -4.945 1.00 21.20 N ATOM 634 CZ ARG A 41 3.808 -5.697 -4.420 1.00 15.23 C ATOM 635 NH1 ARG A 41 3.647 -6.985 -4.131 1.00 43.23 N ATOM 636 NH2 ARG A 41 4.979 -5.115 -4.202 1.00 13.11 N ATOM 0 H ARG A 41 -0.885 -3.008 -7.782 1.00 72.04 H new ATOM 0 HA ARG A 41 -0.777 -5.812 -8.703 1.00 22.01 H new ATOM 0 HB2 ARG A 41 -1.051 -4.663 -5.899 1.00 65.51 H new ATOM 0 HB3 ARG A 41 -0.842 -6.353 -6.310 1.00 65.51 H new ATOM 0 HG2 ARG A 41 1.403 -5.826 -7.268 1.00 31.11 H new ATOM 0 HG3 ARG A 41 1.193 -4.148 -6.809 1.00 31.11 H new ATOM 0 HD2 ARG A 41 0.792 -5.045 -4.402 1.00 5.32 H new ATOM 0 HD3 ARG A 41 1.438 -6.564 -4.991 1.00 5.32 H new ATOM 0 HE ARG A 41 3.011 -4.026 -5.225 1.00 21.20 H new ATOM 0 HH11 ARG A 41 2.752 -7.440 -4.311 1.00 43.23 H new ATOM 0 HH12 ARG A 41 4.418 -7.518 -3.729 1.00 43.23 H new ATOM 0 HH21 ARG A 41 5.111 -4.131 -4.436 1.00 13.11 H new ATOM 0 HH22 ARG A 41 5.748 -5.651 -3.800 1.00 13.11 H new ATOM 650 N SER A 42 -3.381 -4.270 -8.613 1.00 21.23 N ATOM 651 CA SER A 42 -4.844 -4.270 -8.683 1.00 50.21 C ATOM 652 C SER A 42 -5.471 -4.099 -7.295 1.00 30.23 C ATOM 653 O SER A 42 -6.012 -5.045 -6.714 1.00 45.40 O ATOM 654 CB SER A 42 -5.347 -5.551 -9.355 1.00 15.43 C ATOM 655 OG SER A 42 -4.713 -5.740 -10.612 1.00 65.10 O ATOM 0 H SER A 42 -2.943 -3.491 -9.105 1.00 21.23 H new ATOM 0 HA SER A 42 -5.151 -3.417 -9.288 1.00 50.21 H new ATOM 0 HB2 SER A 42 -5.150 -6.407 -8.710 1.00 15.43 H new ATOM 0 HB3 SER A 42 -6.427 -5.496 -9.491 1.00 15.43 H new ATOM 0 HG SER A 42 -5.046 -6.564 -11.026 1.00 65.10 H new ATOM 661 N LEU A 43 -5.381 -2.885 -6.772 1.00 72.14 N ATOM 662 CA LEU A 43 -5.894 -2.560 -5.447 1.00 74.21 C ATOM 663 C LEU A 43 -6.491 -1.155 -5.443 1.00 61.33 C ATOM 664 O LEU A 43 -6.147 -0.331 -6.296 1.00 42.42 O ATOM 665 CB LEU A 43 -4.762 -2.643 -4.414 1.00 61.34 C ATOM 666 CG LEU A 43 -4.284 -4.055 -4.070 1.00 3.02 C ATOM 667 CD1 LEU A 43 -2.865 -4.018 -3.525 1.00 43.14 C ATOM 668 CD2 LEU A 43 -5.217 -4.688 -3.051 1.00 23.50 C ATOM 0 H LEU A 43 -4.950 -2.096 -7.254 1.00 72.14 H new ATOM 0 HA LEU A 43 -6.673 -3.277 -5.187 1.00 74.21 H new ATOM 0 HB2 LEU A 43 -3.912 -2.071 -4.786 1.00 61.34 H new ATOM 0 HB3 LEU A 43 -5.095 -2.158 -3.497 1.00 61.34 H new ATOM 0 HG LEU A 43 -4.292 -4.655 -4.980 1.00 3.02 H new ATOM 0 HD11 LEU A 43 -2.541 -5.031 -3.285 1.00 43.14 H new ATOM 0 HD12 LEU A 43 -2.198 -3.591 -4.274 1.00 43.14 H new ATOM 0 HD13 LEU A 43 -2.837 -3.405 -2.624 1.00 43.14 H new ATOM 0 HD21 LEU A 43 -4.868 -5.693 -2.813 1.00 23.50 H new ATOM 0 HD22 LEU A 43 -5.229 -4.084 -2.144 1.00 23.50 H new ATOM 0 HD23 LEU A 43 -6.224 -4.742 -3.464 1.00 23.50 H new ATOM 680 N PRO A 44 -7.410 -0.865 -4.504 1.00 14.24 N ATOM 681 CA PRO A 44 -7.983 0.477 -4.347 1.00 1.23 C ATOM 682 C PRO A 44 -6.938 1.485 -3.881 1.00 14.20 C ATOM 683 O PRO A 44 -6.237 1.253 -2.895 1.00 5.11 O ATOM 684 CB PRO A 44 -9.067 0.299 -3.273 1.00 42.23 C ATOM 685 CG PRO A 44 -9.280 -1.172 -3.160 1.00 22.14 C ATOM 686 CD PRO A 44 -7.974 -1.813 -3.534 1.00 35.35 C ATOM 0 HA PRO A 44 -8.371 0.864 -5.289 1.00 1.23 H new ATOM 0 HB2 PRO A 44 -8.749 0.724 -2.321 1.00 42.23 H new ATOM 0 HB3 PRO A 44 -9.988 0.808 -3.557 1.00 42.23 H new ATOM 0 HG2 PRO A 44 -9.573 -1.447 -2.147 1.00 22.14 H new ATOM 0 HG3 PRO A 44 -10.080 -1.502 -3.823 1.00 22.14 H new ATOM 0 HD2 PRO A 44 -7.324 -1.940 -2.668 1.00 35.35 H new ATOM 0 HD3 PRO A 44 -8.119 -2.801 -3.972 1.00 35.35 H new ATOM 694 N VAL A 45 -6.841 2.603 -4.586 1.00 41.32 N ATOM 695 CA VAL A 45 -5.822 3.601 -4.291 1.00 22.44 C ATOM 696 C VAL A 45 -6.393 4.749 -3.467 1.00 1.45 C ATOM 697 O VAL A 45 -5.659 5.623 -3.012 1.00 61.44 O ATOM 698 CB VAL A 45 -5.190 4.169 -5.581 1.00 11.24 C ATOM 699 CG1 VAL A 45 -4.465 3.072 -6.347 1.00 12.14 C ATOM 700 CG2 VAL A 45 -6.245 4.827 -6.461 1.00 42.31 C ATOM 0 H VAL A 45 -7.454 2.842 -5.365 1.00 41.32 H new ATOM 0 HA VAL A 45 -5.049 3.095 -3.713 1.00 22.44 H new ATOM 0 HB VAL A 45 -4.465 4.931 -5.296 1.00 11.24 H new ATOM 0 HG11 VAL A 45 -4.026 3.490 -7.253 1.00 12.14 H new ATOM 0 HG12 VAL A 45 -3.677 2.652 -5.722 1.00 12.14 H new ATOM 0 HG13 VAL A 45 -5.172 2.287 -6.615 1.00 12.14 H new ATOM 0 HG21 VAL A 45 -5.774 5.219 -7.363 1.00 42.31 H new ATOM 0 HG22 VAL A 45 -7.000 4.091 -6.737 1.00 42.31 H new ATOM 0 HG23 VAL A 45 -6.717 5.643 -5.914 1.00 42.31 H new ATOM 710 N SER A 46 -7.705 4.748 -3.280 1.00 33.21 N ATOM 711 CA SER A 46 -8.357 5.799 -2.517 1.00 35.42 C ATOM 712 C SER A 46 -8.133 5.584 -1.023 1.00 72.52 C ATOM 713 O SER A 46 -8.351 4.487 -0.503 1.00 42.44 O ATOM 714 CB SER A 46 -9.857 5.835 -2.827 1.00 2.31 C ATOM 715 OG SER A 46 -10.495 6.940 -2.203 1.00 62.34 O ATOM 0 H SER A 46 -8.335 4.034 -3.645 1.00 33.21 H new ATOM 0 HA SER A 46 -7.920 6.756 -2.803 1.00 35.42 H new ATOM 0 HB2 SER A 46 -10.005 5.891 -3.906 1.00 2.31 H new ATOM 0 HB3 SER A 46 -10.321 4.908 -2.489 1.00 2.31 H new ATOM 0 HG SER A 46 -11.450 6.933 -2.423 1.00 62.34 H new ATOM 721 N GLY A 47 -7.688 6.628 -0.343 1.00 24.24 N ATOM 722 CA GLY A 47 -7.461 6.543 1.086 1.00 44.22 C ATOM 723 C GLY A 47 -6.366 7.478 1.553 1.00 31.23 C ATOM 724 O GLY A 47 -5.983 8.406 0.838 1.00 60.54 O ATOM 0 H GLY A 47 -7.479 7.537 -0.756 1.00 24.24 H new ATOM 0 HA2 GLY A 47 -8.386 6.779 1.613 1.00 44.22 H new ATOM 0 HA3 GLY A 47 -7.197 5.519 1.349 1.00 44.22 H new ATOM 728 N THR A 48 -5.870 7.238 2.754 1.00 25.22 N ATOM 729 CA THR A 48 -4.811 8.048 3.330 1.00 14.33 C ATOM 730 C THR A 48 -3.549 7.216 3.527 1.00 65.15 C ATOM 731 O THR A 48 -3.567 6.006 3.298 1.00 13.53 O ATOM 732 CB THR A 48 -5.248 8.628 4.687 1.00 23.22 C ATOM 733 OG1 THR A 48 -5.818 7.587 5.496 1.00 62.15 O ATOM 734 CG2 THR A 48 -6.262 9.748 4.499 1.00 11.35 C ATOM 0 H THR A 48 -6.189 6.479 3.356 1.00 25.22 H new ATOM 0 HA THR A 48 -4.603 8.865 2.639 1.00 14.33 H new ATOM 0 HB THR A 48 -4.370 9.040 5.185 1.00 23.22 H new ATOM 0 HG1 THR A 48 -6.094 7.958 6.360 1.00 62.15 H new ATOM 0 HG21 THR A 48 -6.555 10.141 5.473 1.00 11.35 H new ATOM 0 HG22 THR A 48 -5.817 10.546 3.905 1.00 11.35 H new ATOM 0 HG23 THR A 48 -7.141 9.360 3.985 1.00 11.35 H new ATOM 742 N LYS A 49 -2.469 7.866 3.953 1.00 60.24 N ATOM 743 CA LYS A 49 -1.199 7.192 4.220 1.00 72.24 C ATOM 744 C LYS A 49 -1.403 5.949 5.087 1.00 35.31 C ATOM 745 O LYS A 49 -1.041 4.842 4.693 1.00 12.41 O ATOM 746 CB LYS A 49 -0.234 8.160 4.914 1.00 52.25 C ATOM 747 CG LYS A 49 1.117 7.548 5.253 1.00 31.32 C ATOM 748 CD LYS A 49 1.885 7.142 4.005 1.00 10.25 C ATOM 749 CE LYS A 49 3.266 6.599 4.347 1.00 4.54 C ATOM 750 NZ LYS A 49 4.102 7.603 5.061 1.00 53.33 N ATOM 0 H LYS A 49 -2.448 8.872 4.123 1.00 60.24 H new ATOM 0 HA LYS A 49 -0.775 6.874 3.267 1.00 72.24 H new ATOM 0 HB2 LYS A 49 -0.078 9.026 4.270 1.00 52.25 H new ATOM 0 HB3 LYS A 49 -0.697 8.524 5.831 1.00 52.25 H new ATOM 0 HG2 LYS A 49 1.707 8.264 5.825 1.00 31.32 H new ATOM 0 HG3 LYS A 49 0.971 6.675 5.889 1.00 31.32 H new ATOM 0 HD2 LYS A 49 1.321 6.385 3.460 1.00 10.25 H new ATOM 0 HD3 LYS A 49 1.986 8.002 3.343 1.00 10.25 H new ATOM 0 HE2 LYS A 49 3.162 5.708 4.967 1.00 4.54 H new ATOM 0 HE3 LYS A 49 3.771 6.293 3.431 1.00 4.54 H new ATOM 0 HZ1 LYS A 49 5.055 7.216 5.214 1.00 53.33 H new ATOM 0 HZ2 LYS A 49 4.168 8.469 4.489 1.00 53.33 H new ATOM 0 HZ3 LYS A 49 3.668 7.826 5.979 1.00 53.33 H new ATOM 764 N THR A 50 -2.009 6.140 6.250 1.00 72.23 N ATOM 765 CA THR A 50 -2.220 5.057 7.201 1.00 24.11 C ATOM 766 C THR A 50 -3.125 3.969 6.616 1.00 64.03 C ATOM 767 O THR A 50 -2.895 2.776 6.826 1.00 71.52 O ATOM 768 CB THR A 50 -2.831 5.603 8.503 1.00 4.00 C ATOM 769 OG1 THR A 50 -2.135 6.797 8.891 1.00 12.21 O ATOM 770 CG2 THR A 50 -2.741 4.576 9.622 1.00 44.52 C ATOM 0 H THR A 50 -2.366 7.044 6.560 1.00 72.23 H new ATOM 0 HA THR A 50 -1.250 4.611 7.418 1.00 24.11 H new ATOM 0 HB THR A 50 -3.883 5.825 8.325 1.00 4.00 H new ATOM 0 HG1 THR A 50 -2.524 7.148 9.719 1.00 12.21 H new ATOM 0 HG21 THR A 50 -3.180 4.988 10.530 1.00 44.52 H new ATOM 0 HG22 THR A 50 -3.283 3.675 9.334 1.00 44.52 H new ATOM 0 HG23 THR A 50 -1.696 4.328 9.805 1.00 44.52 H new ATOM 778 N GLU A 51 -4.142 4.387 5.864 1.00 10.31 N ATOM 779 CA GLU A 51 -5.066 3.455 5.229 1.00 50.31 C ATOM 780 C GLU A 51 -4.322 2.518 4.283 1.00 2.30 C ATOM 781 O GLU A 51 -4.506 1.300 4.325 1.00 1.44 O ATOM 782 CB GLU A 51 -6.140 4.225 4.455 1.00 43.43 C ATOM 783 CG GLU A 51 -7.560 3.952 4.921 1.00 40.52 C ATOM 784 CD GLU A 51 -8.003 2.522 4.678 1.00 32.14 C ATOM 785 OE1 GLU A 51 -8.430 2.210 3.547 1.00 41.33 O ATOM 786 OE2 GLU A 51 -7.934 1.706 5.621 1.00 23.40 O ATOM 0 H GLU A 51 -4.346 5.369 5.680 1.00 10.31 H new ATOM 0 HA GLU A 51 -5.541 2.859 6.008 1.00 50.31 H new ATOM 0 HB2 GLU A 51 -5.940 5.293 4.543 1.00 43.43 H new ATOM 0 HB3 GLU A 51 -6.062 3.972 3.398 1.00 43.43 H new ATOM 0 HG2 GLU A 51 -7.635 4.173 5.986 1.00 40.52 H new ATOM 0 HG3 GLU A 51 -8.241 4.629 4.406 1.00 40.52 H new ATOM 793 N LEU A 52 -3.461 3.093 3.455 1.00 3.30 N ATOM 794 CA LEU A 52 -2.758 2.333 2.432 1.00 53.12 C ATOM 795 C LEU A 52 -1.738 1.381 3.051 1.00 1.23 C ATOM 796 O LEU A 52 -1.572 0.254 2.584 1.00 22.41 O ATOM 797 CB LEU A 52 -2.065 3.279 1.451 1.00 33.44 C ATOM 798 CG LEU A 52 -2.951 4.393 0.881 1.00 13.24 C ATOM 799 CD1 LEU A 52 -2.186 5.206 -0.146 1.00 34.21 C ATOM 800 CD2 LEU A 52 -4.223 3.824 0.269 1.00 51.42 C ATOM 0 H LEU A 52 -3.232 4.087 3.472 1.00 3.30 H new ATOM 0 HA LEU A 52 -3.494 1.736 1.894 1.00 53.12 H new ATOM 0 HB2 LEU A 52 -1.212 3.736 1.953 1.00 33.44 H new ATOM 0 HB3 LEU A 52 -1.670 2.691 0.622 1.00 33.44 H new ATOM 0 HG LEU A 52 -3.237 5.049 1.703 1.00 13.24 H new ATOM 0 HD11 LEU A 52 -2.830 5.992 -0.540 1.00 34.21 H new ATOM 0 HD12 LEU A 52 -1.311 5.655 0.324 1.00 34.21 H new ATOM 0 HD13 LEU A 52 -1.867 4.556 -0.960 1.00 34.21 H new ATOM 0 HD21 LEU A 52 -4.831 4.637 -0.127 1.00 51.42 H new ATOM 0 HD22 LEU A 52 -3.964 3.139 -0.538 1.00 51.42 H new ATOM 0 HD23 LEU A 52 -4.786 3.288 1.033 1.00 51.42 H new ATOM 812 N ILE A 53 -1.066 1.835 4.107 1.00 60.54 N ATOM 813 CA ILE A 53 -0.078 1.009 4.800 1.00 24.11 C ATOM 814 C ILE A 53 -0.712 -0.287 5.300 1.00 40.32 C ATOM 815 O ILE A 53 -0.226 -1.381 5.010 1.00 75.40 O ATOM 816 CB ILE A 53 0.560 1.752 5.998 1.00 54.50 C ATOM 817 CG1 ILE A 53 1.298 3.003 5.517 1.00 72.32 C ATOM 818 CG2 ILE A 53 1.510 0.830 6.749 1.00 23.24 C ATOM 819 CD1 ILE A 53 1.870 3.843 6.641 1.00 12.11 C ATOM 0 H ILE A 53 -1.187 2.768 4.501 1.00 60.54 H new ATOM 0 HA ILE A 53 0.705 0.783 4.076 1.00 24.11 H new ATOM 0 HB ILE A 53 -0.234 2.059 6.679 1.00 54.50 H new ATOM 0 HG12 ILE A 53 2.107 2.703 4.851 1.00 72.32 H new ATOM 0 HG13 ILE A 53 0.613 3.615 4.930 1.00 72.32 H new ATOM 0 HG21 ILE A 53 1.951 1.367 7.589 1.00 23.24 H new ATOM 0 HG22 ILE A 53 0.960 -0.035 7.120 1.00 23.24 H new ATOM 0 HG23 ILE A 53 2.301 0.496 6.077 1.00 23.24 H new ATOM 0 HD11 ILE A 53 2.378 4.712 6.223 1.00 12.11 H new ATOM 0 HD12 ILE A 53 1.063 4.174 7.295 1.00 12.11 H new ATOM 0 HD13 ILE A 53 2.581 3.248 7.215 1.00 12.11 H new ATOM 831 N GLU A 54 -1.808 -0.151 6.034 1.00 70.31 N ATOM 832 CA GLU A 54 -2.509 -1.303 6.585 1.00 63.51 C ATOM 833 C GLU A 54 -3.059 -2.188 5.470 1.00 64.02 C ATOM 834 O GLU A 54 -3.051 -3.416 5.574 1.00 50.24 O ATOM 835 CB GLU A 54 -3.649 -0.844 7.493 1.00 41.13 C ATOM 836 CG GLU A 54 -3.192 0.017 8.660 1.00 60.10 C ATOM 837 CD GLU A 54 -2.344 -0.748 9.652 1.00 32.34 C ATOM 838 OE1 GLU A 54 -1.110 -0.800 9.475 1.00 64.01 O ATOM 839 OE2 GLU A 54 -2.913 -1.298 10.621 1.00 71.52 O ATOM 0 H GLU A 54 -2.232 0.748 6.262 1.00 70.31 H new ATOM 0 HA GLU A 54 -1.797 -1.885 7.171 1.00 63.51 H new ATOM 0 HB2 GLU A 54 -4.371 -0.283 6.900 1.00 41.13 H new ATOM 0 HB3 GLU A 54 -4.168 -1.720 7.881 1.00 41.13 H new ATOM 0 HG2 GLU A 54 -2.623 0.865 8.280 1.00 60.10 H new ATOM 0 HG3 GLU A 54 -4.065 0.422 9.171 1.00 60.10 H new ATOM 846 N ARG A 55 -3.516 -1.556 4.397 1.00 4.54 N ATOM 847 CA ARG A 55 -4.102 -2.275 3.274 1.00 11.20 C ATOM 848 C ARG A 55 -3.059 -3.147 2.582 1.00 24.12 C ATOM 849 O ARG A 55 -3.344 -4.282 2.203 1.00 33.35 O ATOM 850 CB ARG A 55 -4.722 -1.288 2.286 1.00 71.14 C ATOM 851 CG ARG A 55 -5.516 -1.956 1.178 1.00 74.41 C ATOM 852 CD ARG A 55 -6.485 -0.981 0.527 1.00 10.42 C ATOM 853 NE ARG A 55 -7.361 -0.349 1.517 1.00 21.54 N ATOM 854 CZ ARG A 55 -8.445 -0.923 2.039 1.00 33.42 C ATOM 855 NH1 ARG A 55 -8.835 -2.128 1.630 1.00 1.44 N ATOM 856 NH2 ARG A 55 -9.142 -0.282 2.965 1.00 44.02 N ATOM 0 H ARG A 55 -3.492 -0.543 4.281 1.00 4.54 H new ATOM 0 HA ARG A 55 -4.886 -2.930 3.654 1.00 11.20 H new ATOM 0 HB2 ARG A 55 -5.375 -0.605 2.829 1.00 71.14 H new ATOM 0 HB3 ARG A 55 -3.930 -0.685 1.842 1.00 71.14 H new ATOM 0 HG2 ARG A 55 -4.833 -2.350 0.425 1.00 74.41 H new ATOM 0 HG3 ARG A 55 -6.068 -2.804 1.584 1.00 74.41 H new ATOM 0 HD2 ARG A 55 -5.925 -0.213 -0.007 1.00 10.42 H new ATOM 0 HD3 ARG A 55 -7.090 -1.507 -0.212 1.00 10.42 H new ATOM 0 HE ARG A 55 -7.126 0.594 1.828 1.00 21.54 H new ATOM 0 HH11 ARG A 55 -8.303 -2.620 0.912 1.00 1.44 H new ATOM 0 HH12 ARG A 55 -9.666 -2.560 2.035 1.00 1.44 H new ATOM 0 HH21 ARG A 55 -8.848 0.645 3.274 1.00 44.02 H new ATOM 0 HH22 ARG A 55 -9.973 -0.715 3.369 1.00 44.02 H new ATOM 870 N LEU A 56 -1.850 -2.621 2.433 1.00 21.33 N ATOM 871 CA LEU A 56 -0.756 -3.383 1.847 1.00 1.53 C ATOM 872 C LEU A 56 -0.397 -4.574 2.729 1.00 54.14 C ATOM 873 O LEU A 56 -0.173 -5.680 2.234 1.00 14.34 O ATOM 874 CB LEU A 56 0.472 -2.491 1.642 1.00 22.51 C ATOM 875 CG LEU A 56 0.370 -1.492 0.489 1.00 2.21 C ATOM 876 CD1 LEU A 56 1.579 -0.568 0.479 1.00 10.14 C ATOM 877 CD2 LEU A 56 0.260 -2.229 -0.837 1.00 45.14 C ATOM 0 H LEU A 56 -1.603 -1.671 2.710 1.00 21.33 H new ATOM 0 HA LEU A 56 -1.084 -3.755 0.876 1.00 1.53 H new ATOM 0 HB2 LEU A 56 0.657 -1.939 2.564 1.00 22.51 H new ATOM 0 HB3 LEU A 56 1.339 -3.129 1.472 1.00 22.51 H new ATOM 0 HG LEU A 56 -0.527 -0.889 0.630 1.00 2.21 H new ATOM 0 HD11 LEU A 56 1.491 0.137 -0.348 1.00 10.14 H new ATOM 0 HD12 LEU A 56 1.626 -0.020 1.420 1.00 10.14 H new ATOM 0 HD13 LEU A 56 2.487 -1.158 0.357 1.00 10.14 H new ATOM 0 HD21 LEU A 56 0.188 -1.506 -1.650 1.00 45.14 H new ATOM 0 HD22 LEU A 56 1.143 -2.851 -0.982 1.00 45.14 H new ATOM 0 HD23 LEU A 56 -0.630 -2.858 -0.831 1.00 45.14 H new ATOM 889 N ARG A 57 -0.367 -4.344 4.037 1.00 24.52 N ATOM 890 CA ARG A 57 -0.051 -5.396 4.997 1.00 64.34 C ATOM 891 C ARG A 57 -1.056 -6.538 4.893 1.00 60.54 C ATOM 892 O ARG A 57 -0.676 -7.709 4.839 1.00 10.05 O ATOM 893 CB ARG A 57 -0.045 -4.835 6.420 1.00 30.14 C ATOM 894 CG ARG A 57 1.000 -3.753 6.644 1.00 33.25 C ATOM 895 CD ARG A 57 0.867 -3.114 8.019 1.00 11.34 C ATOM 896 NE ARG A 57 1.122 -4.064 9.103 1.00 42.12 N ATOM 897 CZ ARG A 57 0.824 -3.834 10.382 1.00 14.15 C ATOM 898 NH1 ARG A 57 0.169 -2.736 10.730 1.00 23.25 N ATOM 899 NH2 ARG A 57 1.150 -4.721 11.312 1.00 51.24 N ATOM 0 H ARG A 57 -0.558 -3.435 4.458 1.00 24.52 H new ATOM 0 HA ARG A 57 0.942 -5.782 4.765 1.00 64.34 H new ATOM 0 HB2 ARG A 57 -1.031 -4.428 6.645 1.00 30.14 H new ATOM 0 HB3 ARG A 57 0.132 -5.650 7.122 1.00 30.14 H new ATOM 0 HG2 ARG A 57 1.996 -4.182 6.538 1.00 33.25 H new ATOM 0 HG3 ARG A 57 0.900 -2.986 5.876 1.00 33.25 H new ATOM 0 HD2 ARG A 57 1.565 -2.281 8.098 1.00 11.34 H new ATOM 0 HD3 ARG A 57 -0.136 -2.702 8.129 1.00 11.34 H new ATOM 0 HE ARG A 57 1.554 -4.957 8.865 1.00 42.12 H new ATOM 0 HH11 ARG A 57 -0.110 -2.061 10.018 1.00 23.25 H new ATOM 0 HH12 ARG A 57 -0.056 -2.566 11.710 1.00 23.25 H new ATOM 0 HH21 ARG A 57 1.630 -5.582 11.050 1.00 51.24 H new ATOM 0 HH22 ARG A 57 0.921 -4.542 12.290 1.00 51.24 H new ATOM 913 N ALA A 58 -2.337 -6.187 4.844 1.00 33.32 N ATOM 914 CA ALA A 58 -3.397 -7.180 4.723 1.00 32.23 C ATOM 915 C ALA A 58 -3.306 -7.910 3.388 1.00 20.44 C ATOM 916 O ALA A 58 -3.472 -9.130 3.323 1.00 24.11 O ATOM 917 CB ALA A 58 -4.759 -6.526 4.879 1.00 74.21 C ATOM 0 H ALA A 58 -2.666 -5.222 4.886 1.00 33.32 H new ATOM 0 HA ALA A 58 -3.270 -7.912 5.521 1.00 32.23 H new ATOM 0 HB1 ALA A 58 -5.539 -7.282 4.786 1.00 74.21 H new ATOM 0 HB2 ALA A 58 -4.826 -6.055 5.859 1.00 74.21 H new ATOM 0 HB3 ALA A 58 -4.891 -5.771 4.104 1.00 74.21 H new ATOM 923 N TYR A 59 -3.021 -7.152 2.330 1.00 74.41 N ATOM 924 CA TYR A 59 -2.913 -7.703 0.983 1.00 64.33 C ATOM 925 C TYR A 59 -1.789 -8.732 0.887 1.00 74.43 C ATOM 926 O TYR A 59 -2.004 -9.849 0.424 1.00 44.12 O ATOM 927 CB TYR A 59 -2.691 -6.583 -0.044 1.00 35.31 C ATOM 928 CG TYR A 59 -2.270 -7.084 -1.407 1.00 42.10 C ATOM 929 CD1 TYR A 59 -3.118 -7.869 -2.181 1.00 54.03 C ATOM 930 CD2 TYR A 59 -1.011 -6.788 -1.910 1.00 51.45 C ATOM 931 CE1 TYR A 59 -2.722 -8.340 -3.416 1.00 11.01 C ATOM 932 CE2 TYR A 59 -0.609 -7.258 -3.139 1.00 54.32 C ATOM 933 CZ TYR A 59 -1.466 -8.031 -3.891 1.00 41.02 C ATOM 934 OH TYR A 59 -1.054 -8.509 -5.116 1.00 51.00 O ATOM 0 H TYR A 59 -2.860 -6.146 2.383 1.00 74.41 H new ATOM 0 HA TYR A 59 -3.853 -8.208 0.760 1.00 64.33 H new ATOM 0 HB2 TYR A 59 -3.611 -6.008 -0.146 1.00 35.31 H new ATOM 0 HB3 TYR A 59 -1.929 -5.901 0.334 1.00 35.31 H new ATOM 0 HD1 TYR A 59 -4.102 -8.114 -1.809 1.00 54.03 H new ATOM 0 HD2 TYR A 59 -0.336 -6.179 -1.327 1.00 51.45 H new ATOM 0 HE1 TYR A 59 -3.392 -8.947 -4.007 1.00 11.01 H new ATOM 0 HE2 TYR A 59 0.376 -7.021 -3.513 1.00 54.32 H new ATOM 0 HH TYR A 59 -0.143 -8.197 -5.300 1.00 51.00 H new ATOM 944 N GLN A 60 -0.595 -8.362 1.333 1.00 11.24 N ATOM 945 CA GLN A 60 0.559 -9.248 1.217 1.00 24.43 C ATOM 946 C GLN A 60 0.380 -10.496 2.075 1.00 31.21 C ATOM 947 O GLN A 60 0.872 -11.575 1.737 1.00 72.35 O ATOM 948 CB GLN A 60 1.846 -8.520 1.608 1.00 11.20 C ATOM 949 CG GLN A 60 3.098 -9.347 1.369 1.00 72.44 C ATOM 950 CD GLN A 60 3.286 -9.718 -0.091 1.00 24.50 C ATOM 951 OE1 GLN A 60 2.895 -8.975 -0.993 1.00 35.21 O ATOM 952 NE2 GLN A 60 3.875 -10.878 -0.338 1.00 1.05 N ATOM 0 H GLN A 60 -0.400 -7.463 1.775 1.00 11.24 H new ATOM 0 HA GLN A 60 0.636 -9.555 0.174 1.00 24.43 H new ATOM 0 HB2 GLN A 60 1.918 -7.592 1.041 1.00 11.20 H new ATOM 0 HB3 GLN A 60 1.795 -8.246 2.662 1.00 11.20 H new ATOM 0 HG2 GLN A 60 3.969 -8.788 1.712 1.00 72.44 H new ATOM 0 HG3 GLN A 60 3.047 -10.257 1.967 1.00 72.44 H new ATOM 0 HE21 GLN A 60 4.186 -11.467 0.435 1.00 1.05 H new ATOM 0 HE22 GLN A 60 4.018 -11.183 -1.301 1.00 1.05 H new ATOM 961 N ASP A 61 -0.334 -10.352 3.179 1.00 14.03 N ATOM 962 CA ASP A 61 -0.590 -11.478 4.064 1.00 5.43 C ATOM 963 C ASP A 61 -1.574 -12.458 3.435 1.00 43.20 C ATOM 964 O ASP A 61 -1.361 -13.669 3.479 1.00 52.12 O ATOM 965 CB ASP A 61 -1.121 -11.002 5.415 1.00 12.42 C ATOM 966 CG ASP A 61 -1.503 -12.162 6.309 1.00 24.41 C ATOM 967 OD1 ASP A 61 -0.595 -12.875 6.790 1.00 21.12 O ATOM 968 OD2 ASP A 61 -2.715 -12.375 6.522 1.00 23.24 O ATOM 0 H ASP A 61 -0.746 -9.470 3.484 1.00 14.03 H new ATOM 0 HA ASP A 61 0.358 -11.992 4.222 1.00 5.43 H new ATOM 0 HB2 ASP A 61 -0.363 -10.396 5.910 1.00 12.42 H new ATOM 0 HB3 ASP A 61 -1.989 -10.362 5.259 1.00 12.42 H new ATOM 973 N GLN A 62 -2.640 -11.935 2.828 1.00 65.31 N ATOM 974 CA GLN A 62 -3.649 -12.791 2.211 1.00 65.40 C ATOM 975 C GLN A 62 -3.078 -13.488 0.979 1.00 63.32 C ATOM 976 O GLN A 62 -3.608 -14.502 0.527 1.00 33.44 O ATOM 977 CB GLN A 62 -4.912 -11.998 1.854 1.00 14.13 C ATOM 978 CG GLN A 62 -4.724 -10.978 0.745 1.00 30.25 C ATOM 979 CD GLN A 62 -5.987 -10.191 0.454 1.00 21.01 C ATOM 980 OE1 GLN A 62 -6.808 -9.961 1.339 1.00 73.01 O ATOM 981 NE2 GLN A 62 -6.151 -9.776 -0.793 1.00 4.25 N ATOM 0 H GLN A 62 -2.825 -10.935 2.752 1.00 65.31 H new ATOM 0 HA GLN A 62 -3.933 -13.552 2.938 1.00 65.40 H new ATOM 0 HB2 GLN A 62 -5.693 -12.698 1.558 1.00 14.13 H new ATOM 0 HB3 GLN A 62 -5.267 -11.483 2.747 1.00 14.13 H new ATOM 0 HG2 GLN A 62 -3.927 -10.288 1.022 1.00 30.25 H new ATOM 0 HG3 GLN A 62 -4.402 -11.489 -0.162 1.00 30.25 H new ATOM 0 HE21 GLN A 62 -5.445 -9.988 -1.498 1.00 4.25 H new ATOM 0 HE22 GLN A 62 -6.983 -9.244 -1.048 1.00 4.25 H new ATOM 990 N ILE A 63 -1.999 -12.930 0.433 1.00 62.20 N ATOM 991 CA ILE A 63 -1.238 -13.606 -0.611 1.00 5.34 C ATOM 992 C ILE A 63 -0.645 -14.889 -0.047 1.00 60.52 C ATOM 993 O ILE A 63 -0.872 -15.977 -0.581 1.00 4.23 O ATOM 994 CB ILE A 63 -0.095 -12.720 -1.165 1.00 25.40 C ATOM 995 CG1 ILE A 63 -0.658 -11.466 -1.841 1.00 10.20 C ATOM 996 CG2 ILE A 63 0.773 -13.506 -2.144 1.00 62.40 C ATOM 997 CD1 ILE A 63 -1.533 -11.754 -3.042 1.00 14.30 C ATOM 0 H ILE A 63 -1.634 -12.015 0.696 1.00 62.20 H new ATOM 0 HA ILE A 63 -1.921 -13.823 -1.432 1.00 5.34 H new ATOM 0 HB ILE A 63 0.527 -12.409 -0.325 1.00 25.40 H new ATOM 0 HG12 ILE A 63 -1.236 -10.900 -1.110 1.00 10.20 H new ATOM 0 HG13 ILE A 63 0.171 -10.830 -2.152 1.00 10.20 H new ATOM 0 HG21 ILE A 63 1.569 -12.864 -2.521 1.00 62.40 H new ATOM 0 HG22 ILE A 63 1.210 -14.365 -1.634 1.00 62.40 H new ATOM 0 HG23 ILE A 63 0.161 -13.851 -2.977 1.00 62.40 H new ATOM 0 HD11 ILE A 63 -1.892 -10.815 -3.464 1.00 14.30 H new ATOM 0 HD12 ILE A 63 -0.954 -12.292 -3.793 1.00 14.30 H new ATOM 0 HD13 ILE A 63 -2.383 -12.363 -2.735 1.00 14.30 H new ATOM 1009 N SER A 64 0.101 -14.735 1.050 1.00 15.04 N ATOM 1010 CA SER A 64 0.728 -15.850 1.752 1.00 44.34 C ATOM 1011 C SER A 64 1.827 -16.505 0.907 1.00 44.14 C ATOM 1012 O SER A 64 1.916 -16.287 -0.303 1.00 74.21 O ATOM 1013 CB SER A 64 -0.330 -16.888 2.151 1.00 2.40 C ATOM 1014 OG SER A 64 -1.317 -16.319 3.000 1.00 31.31 O ATOM 0 H SER A 64 0.286 -13.827 1.476 1.00 15.04 H new ATOM 0 HA SER A 64 1.197 -15.454 2.653 1.00 44.34 H new ATOM 0 HB2 SER A 64 -0.805 -17.289 1.256 1.00 2.40 H new ATOM 0 HB3 SER A 64 0.151 -17.724 2.658 1.00 2.40 H new ATOM 0 HG SER A 64 -1.080 -15.390 3.201 1.00 31.31 H new ATOM 1020 N PRO A 65 2.715 -17.283 1.541 1.00 41.22 N ATOM 1021 CA PRO A 65 3.694 -18.091 0.821 1.00 23.40 C ATOM 1022 C PRO A 65 3.001 -19.194 0.033 1.00 4.31 C ATOM 1023 O PRO A 65 2.461 -20.135 0.620 1.00 12.53 O ATOM 1024 CB PRO A 65 4.573 -18.688 1.928 1.00 64.32 C ATOM 1025 CG PRO A 65 4.273 -17.882 3.147 1.00 14.31 C ATOM 1026 CD PRO A 65 2.853 -17.423 2.996 1.00 13.40 C ATOM 0 HA PRO A 65 4.267 -17.511 0.098 1.00 23.40 H new ATOM 0 HB2 PRO A 65 4.344 -19.742 2.087 1.00 64.32 H new ATOM 0 HB3 PRO A 65 5.630 -18.628 1.667 1.00 64.32 H new ATOM 0 HG2 PRO A 65 4.397 -18.479 4.050 1.00 14.31 H new ATOM 0 HG3 PRO A 65 4.951 -17.033 3.231 1.00 14.31 H new ATOM 0 HD2 PRO A 65 2.147 -18.148 3.402 1.00 13.40 H new ATOM 0 HD3 PRO A 65 2.675 -16.480 3.513 1.00 13.40 H new ATOM 1034 N VAL A 66 2.977 -19.052 -1.287 1.00 44.53 N ATOM 1035 CA VAL A 66 2.311 -20.019 -2.154 1.00 22.11 C ATOM 1036 C VAL A 66 2.936 -21.407 -2.016 1.00 54.34 C ATOM 1037 O VAL A 66 4.113 -21.605 -2.327 1.00 4.11 O ATOM 1038 CB VAL A 66 2.328 -19.567 -3.633 1.00 5.24 C ATOM 1039 CG1 VAL A 66 1.354 -18.418 -3.848 1.00 30.41 C ATOM 1040 CG2 VAL A 66 3.727 -19.154 -4.065 1.00 1.23 C ATOM 0 H VAL A 66 3.412 -18.274 -1.782 1.00 44.53 H new ATOM 0 HA VAL A 66 1.271 -20.074 -1.831 1.00 22.11 H new ATOM 0 HB VAL A 66 2.018 -20.414 -4.245 1.00 5.24 H new ATOM 0 HG11 VAL A 66 1.378 -18.112 -4.894 1.00 30.41 H new ATOM 0 HG12 VAL A 66 0.346 -18.742 -3.588 1.00 30.41 H new ATOM 0 HG13 VAL A 66 1.639 -17.576 -3.217 1.00 30.41 H new ATOM 0 HG21 VAL A 66 3.708 -18.841 -5.109 1.00 1.23 H new ATOM 0 HG22 VAL A 66 4.070 -18.326 -3.444 1.00 1.23 H new ATOM 0 HG23 VAL A 66 4.407 -19.998 -3.952 1.00 1.23 H new ATOM 1050 N PRO A 67 2.146 -22.386 -1.543 1.00 12.22 N ATOM 1051 CA PRO A 67 2.635 -23.737 -1.255 1.00 72.31 C ATOM 1052 C PRO A 67 3.131 -24.444 -2.507 1.00 33.00 C ATOM 1053 O PRO A 67 2.335 -24.915 -3.324 1.00 24.33 O ATOM 1054 CB PRO A 67 1.415 -24.460 -0.671 1.00 34.15 C ATOM 1055 CG PRO A 67 0.454 -23.382 -0.302 1.00 5.12 C ATOM 1056 CD PRO A 67 0.707 -22.258 -1.264 1.00 61.12 C ATOM 0 HA PRO A 67 3.488 -23.722 -0.576 1.00 72.31 H new ATOM 0 HB2 PRO A 67 0.978 -25.143 -1.399 1.00 34.15 H new ATOM 0 HB3 PRO A 67 1.691 -25.055 0.200 1.00 34.15 H new ATOM 0 HG2 PRO A 67 -0.575 -23.734 -0.375 1.00 5.12 H new ATOM 0 HG3 PRO A 67 0.608 -23.057 0.727 1.00 5.12 H new ATOM 0 HD2 PRO A 67 0.109 -22.358 -2.170 1.00 61.12 H new ATOM 0 HD3 PRO A 67 0.464 -21.289 -0.827 1.00 61.12 H new ATOM 1064 N GLY A 68 4.449 -24.477 -2.667 1.00 3.23 N ATOM 1065 CA GLY A 68 5.056 -25.098 -3.828 1.00 33.11 C ATOM 1066 C GLY A 68 4.983 -24.221 -5.064 1.00 14.05 C ATOM 1067 O GLY A 68 5.611 -24.527 -6.081 1.00 25.01 O ATOM 0 H GLY A 68 5.114 -24.079 -2.004 1.00 3.23 H new ATOM 0 HA2 GLY A 68 6.099 -25.326 -3.610 1.00 33.11 H new ATOM 0 HA3 GLY A 68 4.558 -26.046 -4.030 1.00 33.11 H new ATOM 1071 N ALA A 69 4.238 -23.117 -4.950 1.00 50.01 N ATOM 1072 CA ALA A 69 3.959 -22.215 -6.069 1.00 71.21 C ATOM 1073 C ALA A 69 3.110 -22.906 -7.132 1.00 14.40 C ATOM 1074 O ALA A 69 3.486 -23.957 -7.654 1.00 44.12 O ATOM 1075 CB ALA A 69 5.244 -21.665 -6.679 1.00 55.21 C ATOM 0 H ALA A 69 3.809 -22.823 -4.072 1.00 50.01 H new ATOM 0 HA ALA A 69 3.392 -21.372 -5.674 1.00 71.21 H new ATOM 0 HB1 ALA A 69 4.998 -21.000 -7.507 1.00 55.21 H new ATOM 0 HB2 ALA A 69 5.799 -21.112 -5.921 1.00 55.21 H new ATOM 0 HB3 ALA A 69 5.855 -22.490 -7.046 1.00 55.21 H new ATOM 1081 N PRO A 70 1.941 -22.326 -7.458 1.00 13.10 N ATOM 1082 CA PRO A 70 1.042 -22.875 -8.479 1.00 4.55 C ATOM 1083 C PRO A 70 1.776 -23.143 -9.785 1.00 60.22 C ATOM 1084 O PRO A 70 2.305 -22.223 -10.415 1.00 75.31 O ATOM 1085 CB PRO A 70 -0.008 -21.778 -8.665 1.00 44.35 C ATOM 1086 CG PRO A 70 -0.007 -21.031 -7.375 1.00 12.30 C ATOM 1087 CD PRO A 70 1.405 -21.087 -6.862 1.00 4.30 C ATOM 0 HA PRO A 70 0.614 -23.833 -8.182 1.00 4.55 H new ATOM 0 HB2 PRO A 70 0.245 -21.125 -9.501 1.00 44.35 H new ATOM 0 HB3 PRO A 70 -0.990 -22.201 -8.877 1.00 44.35 H new ATOM 0 HG2 PRO A 70 -0.328 -20.000 -7.522 1.00 12.30 H new ATOM 0 HG3 PRO A 70 -0.698 -21.482 -6.663 1.00 12.30 H new ATOM 0 HD2 PRO A 70 1.979 -20.213 -7.170 1.00 4.30 H new ATOM 0 HD3 PRO A 70 1.435 -21.120 -5.773 1.00 4.30 H new ATOM 1095 N LYS A 71 1.825 -24.406 -10.179 1.00 74.43 N ATOM 1096 CA LYS A 71 2.597 -24.804 -11.340 1.00 33.52 C ATOM 1097 C LYS A 71 1.714 -24.925 -12.570 1.00 13.20 C ATOM 1098 O LYS A 71 1.192 -25.996 -12.883 1.00 12.21 O ATOM 1099 CB LYS A 71 3.378 -26.107 -11.091 1.00 63.12 C ATOM 1100 CG LYS A 71 2.594 -27.217 -10.400 1.00 32.22 C ATOM 1101 CD LYS A 71 2.596 -27.083 -8.877 1.00 63.11 C ATOM 1102 CE LYS A 71 3.962 -27.376 -8.256 1.00 71.20 C ATOM 1103 NZ LYS A 71 4.914 -26.238 -8.389 1.00 71.21 N ATOM 0 H LYS A 71 1.339 -25.171 -9.711 1.00 74.43 H new ATOM 0 HA LYS A 71 3.329 -24.018 -11.524 1.00 33.52 H new ATOM 0 HB2 LYS A 71 3.740 -26.482 -12.048 1.00 63.12 H new ATOM 0 HB3 LYS A 71 4.255 -25.875 -10.487 1.00 63.12 H new ATOM 0 HG2 LYS A 71 1.565 -27.207 -10.760 1.00 32.22 H new ATOM 0 HG3 LYS A 71 3.019 -28.182 -10.676 1.00 32.22 H new ATOM 0 HD2 LYS A 71 2.288 -26.073 -8.606 1.00 63.11 H new ATOM 0 HD3 LYS A 71 1.857 -27.765 -8.456 1.00 63.11 H new ATOM 0 HE2 LYS A 71 3.832 -27.613 -7.200 1.00 71.20 H new ATOM 0 HE3 LYS A 71 4.390 -28.259 -8.731 1.00 71.20 H new ATOM 0 HZ1 LYS A 71 5.508 -26.181 -7.537 1.00 71.21 H new ATOM 0 HZ2 LYS A 71 5.518 -26.386 -9.223 1.00 71.21 H new ATOM 0 HZ3 LYS A 71 4.382 -25.351 -8.500 1.00 71.21 H new ATOM 1117 N ALA A 72 1.527 -23.801 -13.243 1.00 52.44 N ATOM 1118 CA ALA A 72 0.791 -23.769 -14.492 1.00 2.32 C ATOM 1119 C ALA A 72 1.767 -23.797 -15.661 1.00 40.01 C ATOM 1120 O ALA A 72 2.423 -22.793 -15.959 1.00 50.03 O ATOM 1121 CB ALA A 72 -0.099 -22.535 -14.559 1.00 23.45 C ATOM 0 H ALA A 72 1.879 -22.893 -12.940 1.00 52.44 H new ATOM 0 HA ALA A 72 0.148 -24.647 -14.549 1.00 2.32 H new ATOM 0 HB1 ALA A 72 -0.643 -22.529 -15.504 1.00 23.45 H new ATOM 0 HB2 ALA A 72 -0.809 -22.553 -13.732 1.00 23.45 H new ATOM 0 HB3 ALA A 72 0.517 -21.638 -14.489 1.00 23.45 H new ATOM 1127 N PRO A 73 1.899 -24.955 -16.320 1.00 71.43 N ATOM 1128 CA PRO A 73 2.835 -25.146 -17.420 1.00 63.30 C ATOM 1129 C PRO A 73 2.287 -24.612 -18.736 1.00 1.21 C ATOM 1130 O PRO A 73 1.173 -24.084 -18.791 1.00 24.33 O ATOM 1131 CB PRO A 73 3.010 -26.674 -17.493 1.00 32.41 C ATOM 1132 CG PRO A 73 2.120 -27.251 -16.434 1.00 43.50 C ATOM 1133 CD PRO A 73 1.142 -26.176 -16.057 1.00 72.51 C ATOM 0 HA PRO A 73 3.769 -24.609 -17.255 1.00 63.30 H new ATOM 0 HB2 PRO A 73 2.736 -27.050 -18.479 1.00 32.41 H new ATOM 0 HB3 PRO A 73 4.049 -26.955 -17.323 1.00 32.41 H new ATOM 0 HG2 PRO A 73 1.600 -28.134 -16.805 1.00 43.50 H new ATOM 0 HG3 PRO A 73 2.703 -27.565 -15.568 1.00 43.50 H new ATOM 0 HD2 PRO A 73 0.232 -26.227 -16.656 1.00 72.51 H new ATOM 0 HD3 PRO A 73 0.841 -26.250 -15.012 1.00 72.51 H new ATOM 1141 N ALA A 74 3.068 -24.754 -19.793 1.00 72.21 N ATOM 1142 CA ALA A 74 2.663 -24.298 -21.115 1.00 11.43 C ATOM 1143 C ALA A 74 2.411 -25.493 -22.022 1.00 72.20 C ATOM 1144 O ALA A 74 2.451 -25.389 -23.248 1.00 4.51 O ATOM 1145 CB ALA A 74 3.726 -23.387 -21.707 1.00 11.55 C ATOM 0 H ALA A 74 3.992 -25.184 -19.762 1.00 72.21 H new ATOM 0 HA ALA A 74 1.738 -23.729 -21.026 1.00 11.43 H new ATOM 0 HB1 ALA A 74 3.410 -23.054 -22.695 1.00 11.55 H new ATOM 0 HB2 ALA A 74 3.865 -22.521 -21.059 1.00 11.55 H new ATOM 0 HB3 ALA A 74 4.666 -23.932 -21.791 1.00 11.55 H new ATOM 1151 N ALA A 75 2.151 -26.631 -21.396 1.00 70.44 N ATOM 1152 CA ALA A 75 1.884 -27.866 -22.109 1.00 42.44 C ATOM 1153 C ALA A 75 0.394 -28.156 -22.107 1.00 14.12 C ATOM 1154 O ALA A 75 -0.262 -27.907 -23.140 1.00 37.17 O ATOM 1155 CB ALA A 75 2.648 -29.022 -21.482 1.00 4.15 C ATOM 1156 OXT ALA A 75 -0.122 -28.601 -21.059 1.00 37.17 O ATOM 0 H ALA A 75 2.120 -26.722 -20.381 1.00 70.44 H new ATOM 0 HA ALA A 75 2.220 -27.752 -23.140 1.00 42.44 H new ATOM 0 HB1 ALA A 75 2.435 -29.939 -22.031 1.00 4.15 H new ATOM 0 HB2 ALA A 75 3.718 -28.816 -21.522 1.00 4.15 H new ATOM 0 HB3 ALA A 75 2.340 -29.141 -20.443 1.00 4.15 H new TER 1162 ALA A 75