USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 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 Set 1.1: A 64 SER OG : rot -129:sc= 0.914 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -152:sc= 0.975 (180deg=-0.0187) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.292 (180deg=-0.297!) USER MOD Single : A 3 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.035) 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= -0.011 X(o=-0.011,f=-0.45) 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 X(o=0,f=0) 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=-0.0062) USER MOD Single : A 11 MET CE :methyl -168:sc= -0.0338 (180deg=-0.307) 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 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 29 MET CE :methyl 158:sc= -0.188 (180deg=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -1.88 (180deg=-4.2!) USER MOD Single : A 42 SER OG : rot -37:sc= 0.899 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00715 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0429 (180deg=-0.294) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.1) USER MOD Single : A 62 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.399 2.945 -45.935 1.00 22.54 N ATOM 2 CA MET A 1 9.548 1.776 -45.022 1.00 44.20 C ATOM 3 C MET A 1 10.988 1.654 -44.505 1.00 13.35 C ATOM 4 O MET A 1 11.936 2.043 -45.186 1.00 25.11 O ATOM 5 CB MET A 1 9.143 0.480 -45.741 1.00 52.53 C ATOM 6 CG MET A 1 7.700 0.469 -46.228 1.00 60.55 C ATOM 7 SD MET A 1 7.361 1.779 -47.424 1.00 34.35 S ATOM 8 CE MET A 1 5.625 1.493 -47.775 1.00 10.21 C ATOM 0 H1 MET A 1 8.797 2.681 -46.741 1.00 22.54 H new ATOM 0 H2 MET A 1 8.961 3.735 -45.419 1.00 22.54 H new ATOM 0 H3 MET A 1 10.335 3.236 -46.283 1.00 22.54 H new ATOM 0 HA MET A 1 8.889 1.935 -44.169 1.00 44.20 H new ATOM 0 HB2 MET A 1 9.805 0.327 -46.593 1.00 52.53 H new ATOM 0 HB3 MET A 1 9.294 -0.361 -45.065 1.00 52.53 H new ATOM 0 HG2 MET A 1 7.481 -0.498 -46.682 1.00 60.55 H new ATOM 0 HG3 MET A 1 7.031 0.580 -45.374 1.00 60.55 H new ATOM 0 HE1 MET A 1 5.275 2.228 -48.500 1.00 10.21 H new ATOM 0 HE2 MET A 1 5.497 0.491 -48.183 1.00 10.21 H new ATOM 0 HE3 MET A 1 5.048 1.587 -46.855 1.00 10.21 H new ATOM 20 N GLY A 2 11.145 1.124 -43.295 1.00 11.42 N ATOM 21 CA GLY A 2 12.474 0.918 -42.726 1.00 60.05 C ATOM 22 C GLY A 2 13.030 -0.475 -43.016 1.00 53.41 C ATOM 23 O GLY A 2 12.726 -1.432 -42.302 1.00 61.00 O ATOM 0 H GLY A 2 10.375 0.831 -42.693 1.00 11.42 H new ATOM 0 HA2 GLY A 2 13.156 1.668 -43.126 1.00 60.05 H new ATOM 0 HA3 GLY A 2 12.431 1.070 -41.648 1.00 60.05 H new ATOM 27 N HIS A 3 13.852 -0.589 -44.065 1.00 2.31 N ATOM 28 CA HIS A 3 14.427 -1.884 -44.466 1.00 61.00 C ATOM 29 C HIS A 3 15.302 -2.509 -43.363 1.00 61.25 C ATOM 30 O HIS A 3 15.538 -3.717 -43.356 1.00 25.21 O ATOM 31 CB HIS A 3 15.220 -1.756 -45.783 1.00 5.32 C ATOM 32 CG HIS A 3 16.300 -0.706 -45.791 1.00 44.24 C ATOM 33 ND1 HIS A 3 16.888 -0.256 -46.953 1.00 41.10 N ATOM 34 CD2 HIS A 3 16.906 -0.024 -44.786 1.00 13.31 C ATOM 35 CE1 HIS A 3 17.803 0.647 -46.667 1.00 30.24 C ATOM 36 NE2 HIS A 3 17.833 0.807 -45.361 1.00 41.34 N ATOM 0 H HIS A 3 14.135 0.196 -44.652 1.00 2.31 H new ATOM 0 HA HIS A 3 13.587 -2.560 -44.629 1.00 61.00 H new ATOM 0 HB2 HIS A 3 15.674 -2.721 -46.008 1.00 5.32 H new ATOM 0 HB3 HIS A 3 14.519 -1.537 -46.589 1.00 5.32 H new ATOM 0 HD2 HIS A 3 16.697 -0.118 -43.731 1.00 13.31 H new ATOM 0 HE1 HIS A 3 18.423 1.167 -47.382 1.00 30.24 H new ATOM 0 HE2 HIS A 3 18.447 1.447 -44.857 1.00 41.34 H new ATOM 45 N HIS A 4 15.783 -1.680 -42.443 1.00 44.24 N ATOM 46 CA HIS A 4 16.555 -2.152 -41.285 1.00 13.50 C ATOM 47 C HIS A 4 16.188 -1.353 -40.030 1.00 3.03 C ATOM 48 O HIS A 4 16.618 -0.211 -39.857 1.00 3.32 O ATOM 49 CB HIS A 4 18.066 -2.060 -41.550 1.00 3.14 C ATOM 50 CG HIS A 4 18.581 -3.106 -42.495 1.00 34.13 C ATOM 51 ND1 HIS A 4 18.896 -4.386 -42.100 1.00 60.41 N ATOM 52 CD2 HIS A 4 18.830 -3.060 -43.825 1.00 22.31 C ATOM 53 CE1 HIS A 4 19.315 -5.079 -43.137 1.00 24.21 C ATOM 54 NE2 HIS A 4 19.285 -4.301 -44.198 1.00 62.54 N ATOM 0 H HIS A 4 15.654 -0.669 -42.472 1.00 44.24 H new ATOM 0 HA HIS A 4 16.302 -3.199 -41.121 1.00 13.50 H new ATOM 0 HB2 HIS A 4 18.295 -1.074 -41.955 1.00 3.14 H new ATOM 0 HB3 HIS A 4 18.597 -2.147 -40.602 1.00 3.14 H new ATOM 0 HD2 HIS A 4 18.696 -2.206 -44.472 1.00 22.31 H new ATOM 0 HE1 HIS A 4 19.630 -6.112 -43.120 1.00 24.21 H new ATOM 0 HE2 HIS A 4 19.555 -4.575 -45.143 1.00 62.54 H new ATOM 63 N HIS A 5 15.377 -1.954 -39.165 1.00 4.33 N ATOM 64 CA HIS A 5 14.904 -1.283 -37.950 1.00 74.01 C ATOM 65 C HIS A 5 16.006 -1.198 -36.881 1.00 20.34 C ATOM 66 O HIS A 5 16.442 -2.212 -36.334 1.00 60.03 O ATOM 67 CB HIS A 5 13.676 -2.009 -37.389 1.00 75.32 C ATOM 68 CG HIS A 5 12.537 -2.083 -38.362 1.00 43.53 C ATOM 69 ND1 HIS A 5 12.211 -3.229 -39.055 1.00 43.53 N ATOM 70 CD2 HIS A 5 11.647 -1.145 -38.761 1.00 0.11 C ATOM 71 CE1 HIS A 5 11.178 -2.993 -39.836 1.00 63.24 C ATOM 72 NE2 HIS A 5 10.816 -1.737 -39.677 1.00 34.10 N ATOM 0 H HIS A 5 15.031 -2.907 -39.280 1.00 4.33 H new ATOM 0 HA HIS A 5 14.627 -0.264 -38.221 1.00 74.01 H new ATOM 0 HB2 HIS A 5 13.962 -3.019 -37.097 1.00 75.32 H new ATOM 0 HB3 HIS A 5 13.341 -1.498 -36.486 1.00 75.32 H new ATOM 0 HD2 HIS A 5 11.600 -0.121 -38.421 1.00 0.11 H new ATOM 0 HE1 HIS A 5 10.708 -3.708 -40.495 1.00 63.24 H new ATOM 0 HE2 HIS A 5 10.042 -1.278 -40.158 1.00 34.10 H new ATOM 81 N HIS A 6 16.450 0.021 -36.592 1.00 44.40 N ATOM 82 CA HIS A 6 17.507 0.254 -35.605 1.00 32.52 C ATOM 83 C HIS A 6 16.927 0.354 -34.187 1.00 53.40 C ATOM 84 O HIS A 6 16.028 1.159 -33.930 1.00 41.34 O ATOM 85 CB HIS A 6 18.266 1.539 -35.946 1.00 72.53 C ATOM 86 CG HIS A 6 18.943 1.504 -37.285 1.00 54.34 C ATOM 87 ND1 HIS A 6 18.284 1.746 -38.474 1.00 34.35 N ATOM 88 CD2 HIS A 6 20.232 1.264 -37.620 1.00 32.13 C ATOM 89 CE1 HIS A 6 19.135 1.655 -39.475 1.00 30.35 C ATOM 90 NE2 HIS A 6 20.324 1.365 -38.986 1.00 24.13 N ATOM 0 H HIS A 6 16.093 0.871 -37.029 1.00 44.40 H new ATOM 0 HA HIS A 6 18.193 -0.593 -35.636 1.00 32.52 H new ATOM 0 HB2 HIS A 6 17.571 2.378 -35.922 1.00 72.53 H new ATOM 0 HB3 HIS A 6 19.014 1.724 -35.175 1.00 72.53 H new ATOM 0 HD2 HIS A 6 21.039 1.035 -36.939 1.00 32.13 H new ATOM 0 HE1 HIS A 6 18.899 1.794 -40.520 1.00 30.35 H new ATOM 0 HE2 HIS A 6 21.175 1.236 -39.534 1.00 24.13 H new ATOM 99 N HIS A 7 17.443 -0.462 -33.270 1.00 40.14 N ATOM 100 CA HIS A 7 16.985 -0.446 -31.876 1.00 50.34 C ATOM 101 C HIS A 7 17.539 0.775 -31.124 1.00 31.25 C ATOM 102 O HIS A 7 18.753 0.953 -31.008 1.00 24.52 O ATOM 103 CB HIS A 7 17.386 -1.750 -31.170 1.00 15.50 C ATOM 104 CG HIS A 7 16.694 -2.956 -31.727 1.00 32.22 C ATOM 105 ND1 HIS A 7 17.188 -3.691 -32.781 1.00 35.02 N ATOM 106 CD2 HIS A 7 15.526 -3.548 -31.378 1.00 55.11 C ATOM 107 CE1 HIS A 7 16.361 -4.676 -33.058 1.00 2.50 C ATOM 108 NE2 HIS A 7 15.343 -4.616 -32.221 1.00 25.55 N ATOM 0 H HIS A 7 18.178 -1.143 -33.463 1.00 40.14 H new ATOM 0 HA HIS A 7 15.898 -0.370 -31.875 1.00 50.34 H new ATOM 0 HB2 HIS A 7 18.464 -1.885 -31.255 1.00 15.50 H new ATOM 0 HB3 HIS A 7 17.158 -1.666 -30.107 1.00 15.50 H new ATOM 0 HD2 HIS A 7 14.863 -3.237 -30.584 1.00 55.11 H new ATOM 0 HE1 HIS A 7 16.493 -5.410 -33.839 1.00 2.50 H new ATOM 0 HE2 HIS A 7 14.550 -5.258 -32.203 1.00 25.55 H new ATOM 117 N HIS A 8 16.638 1.612 -30.618 1.00 61.41 N ATOM 118 CA HIS A 8 17.023 2.855 -29.943 1.00 71.22 C ATOM 119 C HIS A 8 17.471 2.610 -28.492 1.00 12.11 C ATOM 120 O HIS A 8 16.686 2.166 -27.651 1.00 71.20 O ATOM 121 CB HIS A 8 15.857 3.851 -29.970 1.00 61.43 C ATOM 122 CG HIS A 8 15.518 4.334 -31.350 1.00 30.14 C ATOM 123 ND1 HIS A 8 14.361 3.983 -32.015 1.00 54.33 N ATOM 124 CD2 HIS A 8 16.192 5.155 -32.190 1.00 51.24 C ATOM 125 CE1 HIS A 8 14.340 4.561 -33.198 1.00 41.41 C ATOM 126 NE2 HIS A 8 15.438 5.277 -33.329 1.00 63.44 N ATOM 0 H HIS A 8 15.631 1.454 -30.661 1.00 61.41 H new ATOM 0 HA HIS A 8 17.873 3.271 -30.484 1.00 71.22 H new ATOM 0 HB2 HIS A 8 14.977 3.381 -29.531 1.00 61.43 H new ATOM 0 HB3 HIS A 8 16.106 4.708 -29.344 1.00 61.43 H new ATOM 0 HD2 HIS A 8 17.145 5.626 -31.999 1.00 51.24 H new ATOM 0 HE1 HIS A 8 13.556 4.465 -33.935 1.00 41.41 H new ATOM 0 HE2 HIS A 8 15.687 5.833 -34.147 1.00 63.44 H new ATOM 135 N SER A 9 18.740 2.899 -28.209 1.00 11.11 N ATOM 136 CA SER A 9 19.285 2.794 -26.849 1.00 35.20 C ATOM 137 C SER A 9 20.572 3.614 -26.715 1.00 71.34 C ATOM 138 O SER A 9 21.333 3.757 -27.676 1.00 34.41 O ATOM 139 CB SER A 9 19.562 1.332 -26.475 1.00 5.43 C ATOM 140 OG SER A 9 19.999 1.222 -25.126 1.00 40.45 O ATOM 0 H SER A 9 19.417 3.210 -28.906 1.00 11.11 H new ATOM 0 HA SER A 9 18.537 3.193 -26.164 1.00 35.20 H new ATOM 0 HB2 SER A 9 18.658 0.740 -26.617 1.00 5.43 H new ATOM 0 HB3 SER A 9 20.321 0.921 -27.141 1.00 5.43 H new ATOM 0 HG SER A 9 20.167 0.280 -24.912 1.00 40.45 H new ATOM 146 N HIS A 10 20.816 4.143 -25.522 1.00 52.03 N ATOM 147 CA HIS A 10 21.967 5.018 -25.284 1.00 55.33 C ATOM 148 C HIS A 10 23.253 4.217 -25.020 1.00 41.45 C ATOM 149 O HIS A 10 23.216 3.008 -24.780 1.00 52.10 O ATOM 150 CB HIS A 10 21.689 5.943 -24.093 1.00 64.31 C ATOM 151 CG HIS A 10 20.402 6.699 -24.209 1.00 14.05 C ATOM 152 ND1 HIS A 10 19.319 6.459 -23.394 1.00 63.50 N ATOM 153 CD2 HIS A 10 20.025 7.695 -25.047 1.00 41.33 C ATOM 154 CE1 HIS A 10 18.334 7.269 -23.722 1.00 2.12 C ATOM 155 NE2 HIS A 10 18.734 8.028 -24.720 1.00 44.33 N ATOM 0 H HIS A 10 20.233 3.983 -24.700 1.00 52.03 H new ATOM 0 HA HIS A 10 22.117 5.610 -26.187 1.00 55.33 H new ATOM 0 HB2 HIS A 10 21.671 5.349 -23.179 1.00 64.31 H new ATOM 0 HB3 HIS A 10 22.510 6.653 -23.996 1.00 64.31 H new ATOM 0 HD2 HIS A 10 20.626 8.142 -25.825 1.00 41.33 H new ATOM 0 HE1 HIS A 10 17.362 7.304 -23.252 1.00 2.12 H new ATOM 0 HE2 HIS A 10 18.175 8.748 -25.177 1.00 44.33 H new ATOM 164 N MET A 11 24.387 4.914 -25.068 1.00 74.02 N ATOM 165 CA MET A 11 25.691 4.326 -24.734 1.00 24.35 C ATOM 166 C MET A 11 26.163 4.797 -23.346 1.00 73.25 C ATOM 167 O MET A 11 27.284 4.513 -22.923 1.00 61.35 O ATOM 168 CB MET A 11 26.731 4.714 -25.796 1.00 3.54 C ATOM 169 CG MET A 11 26.282 4.446 -27.230 1.00 12.34 C ATOM 170 SD MET A 11 25.763 2.736 -27.503 1.00 42.51 S ATOM 171 CE MET A 11 27.265 1.851 -27.090 1.00 40.31 C ATOM 0 H MET A 11 24.432 5.897 -25.337 1.00 74.02 H new ATOM 0 HA MET A 11 25.583 3.242 -24.714 1.00 24.35 H new ATOM 0 HB2 MET A 11 26.965 5.773 -25.691 1.00 3.54 H new ATOM 0 HB3 MET A 11 27.653 4.164 -25.606 1.00 3.54 H new ATOM 0 HG2 MET A 11 25.456 5.114 -27.477 1.00 12.34 H new ATOM 0 HG3 MET A 11 27.099 4.684 -27.911 1.00 12.34 H new ATOM 0 HE1 MET A 11 27.175 0.813 -27.410 1.00 40.31 H new ATOM 0 HE2 MET A 11 28.111 2.315 -27.597 1.00 40.31 H new ATOM 0 HE3 MET A 11 27.423 1.886 -26.012 1.00 40.31 H new ATOM 181 N SER A 12 25.290 5.521 -22.646 1.00 2.41 N ATOM 182 CA SER A 12 25.597 6.078 -21.319 1.00 72.00 C ATOM 183 C SER A 12 25.535 5.003 -20.215 1.00 62.24 C ATOM 184 O SER A 12 25.595 3.802 -20.497 1.00 62.01 O ATOM 185 CB SER A 12 24.613 7.213 -20.997 1.00 74.20 C ATOM 186 OG SER A 12 24.672 8.245 -21.971 1.00 0.55 O ATOM 0 H SER A 12 24.351 5.740 -22.978 1.00 2.41 H new ATOM 0 HA SER A 12 26.616 6.464 -21.346 1.00 72.00 H new ATOM 0 HB2 SER A 12 23.600 6.815 -20.949 1.00 74.20 H new ATOM 0 HB3 SER A 12 24.841 7.625 -20.014 1.00 74.20 H new ATOM 0 HG SER A 12 24.033 8.951 -21.739 1.00 0.55 H new ATOM 192 N THR A 13 25.427 5.439 -18.955 1.00 34.15 N ATOM 193 CA THR A 13 25.337 4.509 -17.819 1.00 1.32 C ATOM 194 C THR A 13 24.144 3.550 -17.955 1.00 62.00 C ATOM 195 O THR A 13 23.042 3.964 -18.325 1.00 53.24 O ATOM 196 CB THR A 13 25.214 5.252 -16.465 1.00 63.15 C ATOM 197 OG1 THR A 13 24.063 6.114 -16.470 1.00 23.02 O ATOM 198 CG2 THR A 13 26.465 6.072 -16.171 1.00 35.33 C ATOM 0 H THR A 13 25.400 6.425 -18.695 1.00 34.15 H new ATOM 0 HA THR A 13 26.266 3.939 -17.834 1.00 1.32 H new ATOM 0 HB THR A 13 25.100 4.501 -15.683 1.00 63.15 H new ATOM 0 HG1 THR A 13 23.996 6.576 -15.608 1.00 23.02 H new ATOM 0 HG21 THR A 13 26.349 6.582 -15.215 1.00 35.33 H new ATOM 0 HG22 THR A 13 27.331 5.412 -16.128 1.00 35.33 H new ATOM 0 HG23 THR A 13 26.610 6.810 -16.960 1.00 35.33 H new ATOM 206 N PRO A 14 24.352 2.251 -17.661 1.00 72.31 N ATOM 207 CA PRO A 14 23.276 1.242 -17.709 1.00 1.03 C ATOM 208 C PRO A 14 22.106 1.566 -16.762 1.00 60.40 C ATOM 209 O PRO A 14 22.263 2.301 -15.783 1.00 55.14 O ATOM 210 CB PRO A 14 23.979 -0.056 -17.274 1.00 13.11 C ATOM 211 CG PRO A 14 25.431 0.187 -17.523 1.00 30.32 C ATOM 212 CD PRO A 14 25.646 1.655 -17.275 1.00 54.01 C ATOM 0 HA PRO A 14 22.823 1.188 -18.699 1.00 1.03 H new ATOM 0 HB2 PRO A 14 23.790 -0.274 -16.223 1.00 13.11 H new ATOM 0 HB3 PRO A 14 23.618 -0.911 -17.846 1.00 13.11 H new ATOM 0 HG2 PRO A 14 26.049 -0.417 -16.858 1.00 30.32 H new ATOM 0 HG3 PRO A 14 25.704 -0.082 -18.544 1.00 30.32 H new ATOM 0 HD2 PRO A 14 25.888 1.857 -16.231 1.00 54.01 H new ATOM 0 HD3 PRO A 14 26.467 2.049 -17.874 1.00 54.01 H new ATOM 220 N LEU A 15 20.932 1.017 -17.060 1.00 13.52 N ATOM 221 CA LEU A 15 19.735 1.248 -16.245 1.00 30.24 C ATOM 222 C LEU A 15 19.731 0.370 -14.985 1.00 4.24 C ATOM 223 O LEU A 15 20.505 -0.582 -14.872 1.00 2.54 O ATOM 224 CB LEU A 15 18.475 0.975 -17.080 1.00 40.43 C ATOM 225 CG LEU A 15 18.372 1.779 -18.387 1.00 5.02 C ATOM 226 CD1 LEU A 15 17.088 1.431 -19.136 1.00 42.53 C ATOM 227 CD2 LEU A 15 18.451 3.282 -18.112 1.00 31.14 C ATOM 0 H LEU A 15 20.780 0.406 -17.862 1.00 13.52 H new ATOM 0 HA LEU A 15 19.743 2.290 -15.925 1.00 30.24 H new ATOM 0 HB2 LEU A 15 18.441 -0.087 -17.321 1.00 40.43 H new ATOM 0 HB3 LEU A 15 17.599 1.191 -16.469 1.00 40.43 H new ATOM 0 HG LEU A 15 19.218 1.508 -19.018 1.00 5.02 H new ATOM 0 HD11 LEU A 15 17.036 2.011 -20.057 1.00 42.53 H new ATOM 0 HD12 LEU A 15 17.084 0.368 -19.376 1.00 42.53 H new ATOM 0 HD13 LEU A 15 16.227 1.665 -18.510 1.00 42.53 H new ATOM 0 HD21 LEU A 15 18.376 3.828 -19.052 1.00 31.14 H new ATOM 0 HD22 LEU A 15 17.632 3.575 -17.455 1.00 31.14 H new ATOM 0 HD23 LEU A 15 19.402 3.515 -17.632 1.00 31.14 H new ATOM 239 N THR A 16 18.852 0.694 -14.039 1.00 10.34 N ATOM 240 CA THR A 16 18.742 -0.065 -12.784 1.00 14.04 C ATOM 241 C THR A 16 17.330 -0.636 -12.592 1.00 73.54 C ATOM 242 O THR A 16 16.330 0.016 -12.908 1.00 63.23 O ATOM 243 CB THR A 16 19.110 0.802 -11.552 1.00 33.02 C ATOM 244 OG1 THR A 16 18.995 0.034 -10.341 1.00 21.24 O ATOM 245 CG2 THR A 16 18.226 2.043 -11.453 1.00 33.24 C ATOM 0 H THR A 16 18.203 1.477 -14.113 1.00 10.34 H new ATOM 0 HA THR A 16 19.453 -0.888 -12.861 1.00 14.04 H new ATOM 0 HB THR A 16 20.143 1.125 -11.681 1.00 33.02 H new ATOM 0 HG1 THR A 16 19.232 0.596 -9.574 1.00 21.24 H new ATOM 0 HG21 THR A 16 18.513 2.626 -10.578 1.00 33.24 H new ATOM 0 HG22 THR A 16 18.350 2.650 -12.350 1.00 33.24 H new ATOM 0 HG23 THR A 16 17.183 1.740 -11.361 1.00 33.24 H new ATOM 253 N GLY A 17 17.259 -1.862 -12.082 1.00 34.14 N ATOM 254 CA GLY A 17 15.970 -2.509 -11.857 1.00 12.44 C ATOM 255 C GLY A 17 15.388 -2.243 -10.470 1.00 34.45 C ATOM 256 O GLY A 17 15.986 -1.533 -9.654 1.00 0.53 O ATOM 0 H GLY A 17 18.069 -2.423 -11.819 1.00 34.14 H new ATOM 0 HA2 GLY A 17 15.263 -2.164 -12.611 1.00 12.44 H new ATOM 0 HA3 GLY A 17 16.083 -3.584 -11.995 1.00 12.44 H new ATOM 260 N LYS A 18 14.212 -2.812 -10.201 1.00 12.32 N ATOM 261 CA LYS A 18 13.548 -2.658 -8.899 1.00 71.42 C ATOM 262 C LYS A 18 13.486 -3.999 -8.139 1.00 61.14 C ATOM 263 O LYS A 18 13.356 -5.062 -8.750 1.00 21.23 O ATOM 264 CB LYS A 18 12.132 -2.093 -9.091 1.00 51.55 C ATOM 265 CG LYS A 18 12.106 -0.683 -9.682 1.00 13.12 C ATOM 266 CD LYS A 18 10.686 -0.121 -9.776 1.00 72.53 C ATOM 267 CE LYS A 18 9.804 -0.932 -10.721 1.00 72.11 C ATOM 268 NZ LYS A 18 8.435 -0.355 -10.835 1.00 43.23 N ATOM 0 H LYS A 18 13.696 -3.386 -10.868 1.00 12.32 H new ATOM 0 HA LYS A 18 14.135 -1.960 -8.302 1.00 71.42 H new ATOM 0 HB2 LYS A 18 11.570 -2.761 -9.743 1.00 51.55 H new ATOM 0 HB3 LYS A 18 11.621 -2.083 -8.128 1.00 51.55 H new ATOM 0 HG2 LYS A 18 12.716 -0.022 -9.067 1.00 13.12 H new ATOM 0 HG3 LYS A 18 12.555 -0.699 -10.675 1.00 13.12 H new ATOM 0 HD2 LYS A 18 10.236 -0.109 -8.783 1.00 72.53 H new ATOM 0 HD3 LYS A 18 10.729 0.913 -10.120 1.00 72.53 H new ATOM 0 HE2 LYS A 18 10.266 -0.968 -11.708 1.00 72.11 H new ATOM 0 HE3 LYS A 18 9.736 -1.959 -10.363 1.00 72.11 H new ATOM 0 HZ1 LYS A 18 7.867 -0.934 -11.486 1.00 43.23 H new ATOM 0 HZ2 LYS A 18 7.984 -0.344 -9.898 1.00 43.23 H new ATOM 0 HZ3 LYS A 18 8.497 0.616 -11.201 1.00 43.23 H new ATOM 282 N PRO A 19 13.579 -3.967 -6.793 1.00 71.30 N ATOM 283 CA PRO A 19 13.529 -5.186 -5.962 1.00 25.13 C ATOM 284 C PRO A 19 12.120 -5.809 -5.884 1.00 12.31 C ATOM 285 O PRO A 19 11.109 -5.119 -6.059 1.00 34.05 O ATOM 286 CB PRO A 19 13.972 -4.683 -4.581 1.00 2.11 C ATOM 287 CG PRO A 19 13.571 -3.246 -4.562 1.00 55.03 C ATOM 288 CD PRO A 19 13.751 -2.748 -5.974 1.00 40.24 C ATOM 0 HA PRO A 19 14.154 -5.979 -6.372 1.00 25.13 H new ATOM 0 HB2 PRO A 19 13.487 -5.241 -3.781 1.00 2.11 H new ATOM 0 HB3 PRO A 19 15.047 -4.797 -4.443 1.00 2.11 H new ATOM 0 HG2 PRO A 19 12.537 -3.133 -4.237 1.00 55.03 H new ATOM 0 HG3 PRO A 19 14.188 -2.678 -3.866 1.00 55.03 H new ATOM 0 HD2 PRO A 19 13.014 -1.986 -6.228 1.00 40.24 H new ATOM 0 HD3 PRO A 19 14.735 -2.301 -6.120 1.00 40.24 H new ATOM 296 N GLY A 20 12.067 -7.117 -5.618 1.00 14.21 N ATOM 297 CA GLY A 20 10.790 -7.823 -5.513 1.00 3.33 C ATOM 298 C GLY A 20 10.072 -7.569 -4.189 1.00 23.22 C ATOM 299 O GLY A 20 9.894 -8.481 -3.382 1.00 5.23 O ATOM 0 H GLY A 20 12.888 -7.704 -5.472 1.00 14.21 H new ATOM 0 HA2 GLY A 20 10.143 -7.516 -6.335 1.00 3.33 H new ATOM 0 HA3 GLY A 20 10.963 -8.893 -5.626 1.00 3.33 H new ATOM 303 N ALA A 21 9.660 -6.323 -3.976 1.00 12.33 N ATOM 304 CA ALA A 21 8.979 -5.911 -2.743 1.00 23.51 C ATOM 305 C ALA A 21 8.325 -4.533 -2.924 1.00 3.34 C ATOM 306 O ALA A 21 8.295 -3.992 -4.033 1.00 24.24 O ATOM 307 CB ALA A 21 9.971 -5.885 -1.579 1.00 72.23 C ATOM 0 H ALA A 21 9.786 -5.568 -4.650 1.00 12.33 H new ATOM 0 HA ALA A 21 8.195 -6.634 -2.518 1.00 23.51 H new ATOM 0 HB1 ALA A 21 9.456 -5.578 -0.669 1.00 72.23 H new ATOM 0 HB2 ALA A 21 10.394 -6.880 -1.439 1.00 72.23 H new ATOM 0 HB3 ALA A 21 10.771 -5.178 -1.799 1.00 72.23 H new ATOM 313 N LEU A 22 7.808 -3.969 -1.835 1.00 23.52 N ATOM 314 CA LEU A 22 7.189 -2.637 -1.869 1.00 72.12 C ATOM 315 C LEU A 22 8.186 -1.554 -2.317 1.00 54.43 C ATOM 316 O LEU A 22 9.333 -1.532 -1.863 1.00 24.33 O ATOM 317 CB LEU A 22 6.641 -2.268 -0.485 1.00 54.23 C ATOM 318 CG LEU A 22 5.522 -3.170 0.048 1.00 73.33 C ATOM 319 CD1 LEU A 22 5.147 -2.757 1.467 1.00 22.53 C ATOM 320 CD2 LEU A 22 4.301 -3.122 -0.872 1.00 50.54 C ATOM 0 H LEU A 22 7.803 -4.410 -0.915 1.00 23.52 H new ATOM 0 HA LEU A 22 6.376 -2.680 -2.594 1.00 72.12 H new ATOM 0 HB2 LEU A 22 7.465 -2.283 0.228 1.00 54.23 H new ATOM 0 HB3 LEU A 22 6.270 -1.244 -0.522 1.00 54.23 H new ATOM 0 HG LEU A 22 5.885 -4.198 0.069 1.00 73.33 H new ATOM 0 HD11 LEU A 22 4.351 -3.404 1.836 1.00 22.53 H new ATOM 0 HD12 LEU A 22 6.019 -2.848 2.115 1.00 22.53 H new ATOM 0 HD13 LEU A 22 4.802 -1.723 1.466 1.00 22.53 H new ATOM 0 HD21 LEU A 22 3.520 -3.770 -0.474 1.00 50.54 H new ATOM 0 HD22 LEU A 22 3.929 -2.099 -0.930 1.00 50.54 H new ATOM 0 HD23 LEU A 22 4.582 -3.463 -1.868 1.00 50.54 H new ATOM 332 N PRO A 23 7.766 -0.640 -3.214 1.00 15.05 N ATOM 333 CA PRO A 23 8.598 0.503 -3.615 1.00 42.42 C ATOM 334 C PRO A 23 8.791 1.500 -2.459 1.00 51.12 C ATOM 335 O PRO A 23 7.826 2.041 -1.928 1.00 12.21 O ATOM 336 CB PRO A 23 7.802 1.142 -4.767 1.00 71.42 C ATOM 337 CG PRO A 23 6.388 0.714 -4.541 1.00 42.03 C ATOM 338 CD PRO A 23 6.461 -0.652 -3.907 1.00 44.40 C ATOM 0 HA PRO A 23 9.605 0.203 -3.905 1.00 42.42 H new ATOM 0 HB2 PRO A 23 7.893 2.228 -4.755 1.00 71.42 H new ATOM 0 HB3 PRO A 23 8.168 0.802 -5.736 1.00 71.42 H new ATOM 0 HG2 PRO A 23 5.867 1.418 -3.892 1.00 42.03 H new ATOM 0 HG3 PRO A 23 5.837 0.679 -5.481 1.00 42.03 H new ATOM 0 HD2 PRO A 23 5.638 -0.816 -3.211 1.00 44.40 H new ATOM 0 HD3 PRO A 23 6.410 -1.445 -4.654 1.00 44.40 H new ATOM 346 N ALA A 24 10.047 1.736 -2.070 1.00 1.03 N ATOM 347 CA ALA A 24 10.364 2.623 -0.935 1.00 34.30 C ATOM 348 C ALA A 24 9.794 4.046 -1.109 1.00 52.30 C ATOM 349 O ALA A 24 9.773 4.834 -0.163 1.00 1.02 O ATOM 350 CB ALA A 24 11.874 2.677 -0.728 1.00 42.41 C ATOM 0 H ALA A 24 10.865 1.327 -2.521 1.00 1.03 H new ATOM 0 HA ALA A 24 9.884 2.201 -0.052 1.00 34.30 H new ATOM 0 HB1 ALA A 24 12.103 3.333 0.111 1.00 42.41 H new ATOM 0 HB2 ALA A 24 12.248 1.675 -0.518 1.00 42.41 H new ATOM 0 HB3 ALA A 24 12.351 3.061 -1.630 1.00 42.41 H new ATOM 356 N ASN A 25 9.327 4.365 -2.314 1.00 51.12 N ATOM 357 CA ASN A 25 8.747 5.681 -2.608 1.00 42.22 C ATOM 358 C ASN A 25 7.218 5.703 -2.410 1.00 4.24 C ATOM 359 O ASN A 25 6.511 6.426 -3.113 1.00 63.15 O ATOM 360 CB ASN A 25 9.084 6.081 -4.050 1.00 5.41 C ATOM 361 CG ASN A 25 10.576 6.210 -4.285 1.00 32.21 C ATOM 362 OD1 ASN A 25 11.242 5.254 -4.664 1.00 72.43 O ATOM 363 ND2 ASN A 25 11.114 7.389 -4.056 1.00 62.30 N ATOM 0 H ASN A 25 9.338 3.728 -3.110 1.00 51.12 H new ATOM 0 HA ASN A 25 9.179 6.394 -1.906 1.00 42.22 H new ATOM 0 HB2 ASN A 25 8.675 5.338 -4.734 1.00 5.41 H new ATOM 0 HB3 ASN A 25 8.600 7.029 -4.283 1.00 5.41 H new ATOM 0 HD21 ASN A 25 12.115 7.528 -4.193 1.00 62.30 H new ATOM 0 HD22 ASN A 25 10.530 8.164 -3.741 1.00 62.30 H new ATOM 370 N LEU A 26 6.715 4.939 -1.436 1.00 24.33 N ATOM 371 CA LEU A 26 5.268 4.876 -1.161 1.00 45.44 C ATOM 372 C LEU A 26 4.666 6.277 -0.929 1.00 52.31 C ATOM 373 O LEU A 26 3.513 6.533 -1.277 1.00 71.25 O ATOM 374 CB LEU A 26 4.996 3.969 0.050 1.00 53.31 C ATOM 375 CG LEU A 26 5.352 2.483 -0.148 1.00 33.14 C ATOM 376 CD1 LEU A 26 5.143 1.697 1.144 1.00 72.34 C ATOM 377 CD2 LEU A 26 4.533 1.875 -1.289 1.00 52.54 C ATOM 0 H LEU A 26 7.284 4.355 -0.823 1.00 24.33 H new ATOM 0 HA LEU A 26 4.783 4.453 -2.041 1.00 45.44 H new ATOM 0 HB2 LEU A 26 5.559 4.350 0.902 1.00 53.31 H new ATOM 0 HB3 LEU A 26 3.939 4.041 0.307 1.00 53.31 H new ATOM 0 HG LEU A 26 6.407 2.422 -0.416 1.00 33.14 H new ATOM 0 HD11 LEU A 26 5.401 0.651 0.979 1.00 72.34 H new ATOM 0 HD12 LEU A 26 5.780 2.109 1.927 1.00 72.34 H new ATOM 0 HD13 LEU A 26 4.099 1.770 1.449 1.00 72.34 H new ATOM 0 HD21 LEU A 26 4.801 0.826 -1.410 1.00 52.54 H new ATOM 0 HD22 LEU A 26 3.471 1.954 -1.057 1.00 52.54 H new ATOM 0 HD23 LEU A 26 4.743 2.412 -2.214 1.00 52.54 H new ATOM 389 N ASP A 27 5.453 7.178 -0.342 1.00 42.21 N ATOM 390 CA ASP A 27 5.033 8.575 -0.161 1.00 51.03 C ATOM 391 C ASP A 27 4.955 9.320 -1.504 1.00 25.53 C ATOM 392 O ASP A 27 4.056 10.136 -1.723 1.00 23.22 O ATOM 393 CB ASP A 27 5.997 9.302 0.776 1.00 22.35 C ATOM 394 CG ASP A 27 5.871 8.835 2.213 1.00 73.53 C ATOM 395 OD1 ASP A 27 4.992 9.353 2.934 1.00 25.31 O ATOM 396 OD2 ASP A 27 6.659 7.965 2.633 1.00 21.35 O ATOM 0 H ASP A 27 6.385 6.970 0.017 1.00 42.21 H new ATOM 0 HA ASP A 27 4.036 8.564 0.280 1.00 51.03 H new ATOM 0 HB2 ASP A 27 7.020 9.144 0.434 1.00 22.35 H new ATOM 0 HB3 ASP A 27 5.807 10.374 0.728 1.00 22.35 H new ATOM 401 N ASP A 28 5.909 9.041 -2.389 1.00 44.22 N ATOM 402 CA ASP A 28 5.942 9.664 -3.714 1.00 4.23 C ATOM 403 C ASP A 28 4.792 9.154 -4.601 1.00 30.34 C ATOM 404 O ASP A 28 4.271 9.888 -5.443 1.00 1.03 O ATOM 405 CB ASP A 28 7.287 9.385 -4.390 1.00 42.23 C ATOM 406 CG ASP A 28 8.466 9.886 -3.573 1.00 55.01 C ATOM 407 OD1 ASP A 28 8.915 9.165 -2.661 1.00 44.24 O ATOM 408 OD2 ASP A 28 8.948 11.006 -3.836 1.00 33.02 O ATOM 0 H ASP A 28 6.672 8.387 -2.214 1.00 44.22 H new ATOM 0 HA ASP A 28 5.817 10.739 -3.585 1.00 4.23 H new ATOM 0 HB2 ASP A 28 7.392 8.312 -4.553 1.00 42.23 H new ATOM 0 HB3 ASP A 28 7.302 9.859 -5.371 1.00 42.23 H new ATOM 413 N MET A 29 4.409 7.892 -4.405 1.00 31.15 N ATOM 414 CA MET A 29 3.309 7.282 -5.161 1.00 74.53 C ATOM 415 C MET A 29 1.965 7.942 -4.821 1.00 65.12 C ATOM 416 O MET A 29 1.693 8.271 -3.662 1.00 11.11 O ATOM 417 CB MET A 29 3.237 5.775 -4.878 1.00 60.24 C ATOM 418 CG MET A 29 4.491 5.014 -5.290 1.00 4.31 C ATOM 419 SD MET A 29 4.356 3.241 -4.993 1.00 72.32 S ATOM 420 CE MET A 29 2.963 2.821 -6.039 1.00 51.43 C ATOM 0 H MET A 29 4.845 7.268 -3.726 1.00 31.15 H new ATOM 0 HA MET A 29 3.508 7.439 -6.221 1.00 74.53 H new ATOM 0 HB2 MET A 29 3.063 5.622 -3.813 1.00 60.24 H new ATOM 0 HB3 MET A 29 2.379 5.356 -5.404 1.00 60.24 H new ATOM 0 HG2 MET A 29 4.685 5.187 -6.348 1.00 4.31 H new ATOM 0 HG3 MET A 29 5.347 5.406 -4.740 1.00 4.31 H new ATOM 0 HE1 MET A 29 2.993 1.757 -6.275 1.00 51.43 H new ATOM 0 HE2 MET A 29 2.034 3.051 -5.517 1.00 51.43 H new ATOM 0 HE3 MET A 29 3.013 3.399 -6.962 1.00 51.43 H new ATOM 430 N LYS A 30 1.131 8.136 -5.835 1.00 4.03 N ATOM 431 CA LYS A 30 -0.165 8.796 -5.661 1.00 33.13 C ATOM 432 C LYS A 30 -1.222 7.841 -5.074 1.00 63.11 C ATOM 433 O LYS A 30 -1.088 6.618 -5.158 1.00 11.44 O ATOM 434 CB LYS A 30 -0.629 9.375 -7.005 1.00 72.33 C ATOM 435 CG LYS A 30 0.271 10.506 -7.506 1.00 22.23 C ATOM 436 CD LYS A 30 -0.120 10.996 -8.900 1.00 55.04 C ATOM 437 CE LYS A 30 0.185 9.961 -9.979 1.00 52.44 C ATOM 438 NZ LYS A 30 -0.096 10.487 -11.338 1.00 35.42 N ATOM 0 H LYS A 30 1.327 7.845 -6.793 1.00 4.03 H new ATOM 0 HA LYS A 30 -0.044 9.607 -4.943 1.00 33.13 H new ATOM 0 HB2 LYS A 30 -0.653 8.579 -7.749 1.00 72.33 H new ATOM 0 HB3 LYS A 30 -1.649 9.746 -6.903 1.00 72.33 H new ATOM 0 HG2 LYS A 30 0.224 11.340 -6.806 1.00 22.23 H new ATOM 0 HG3 LYS A 30 1.305 10.162 -7.523 1.00 22.23 H new ATOM 0 HD2 LYS A 30 -1.184 11.232 -8.915 1.00 55.04 H new ATOM 0 HD3 LYS A 30 0.415 11.919 -9.122 1.00 55.04 H new ATOM 0 HE2 LYS A 30 1.232 9.664 -9.913 1.00 52.44 H new ATOM 0 HE3 LYS A 30 -0.412 9.066 -9.804 1.00 52.44 H new ATOM 0 HZ1 LYS A 30 0.123 9.756 -12.045 1.00 35.42 H new ATOM 0 HZ2 LYS A 30 -1.100 10.747 -11.409 1.00 35.42 H new ATOM 0 HZ3 LYS A 30 0.492 11.326 -11.514 1.00 35.42 H new ATOM 452 N VAL A 31 -2.268 8.418 -4.481 1.00 44.34 N ATOM 453 CA VAL A 31 -3.321 7.647 -3.798 1.00 51.34 C ATOM 454 C VAL A 31 -3.870 6.492 -4.658 1.00 23.42 C ATOM 455 O VAL A 31 -3.964 5.351 -4.194 1.00 3.01 O ATOM 456 CB VAL A 31 -4.490 8.573 -3.374 1.00 3.21 C ATOM 457 CG1 VAL A 31 -5.603 7.779 -2.694 1.00 41.51 C ATOM 458 CG2 VAL A 31 -3.987 9.690 -2.461 1.00 11.30 C ATOM 0 H VAL A 31 -2.414 9.427 -4.458 1.00 44.34 H new ATOM 0 HA VAL A 31 -2.855 7.209 -2.915 1.00 51.34 H new ATOM 0 HB VAL A 31 -4.905 9.025 -4.275 1.00 3.21 H new ATOM 0 HG11 VAL A 31 -6.409 8.454 -2.408 1.00 41.51 H new ATOM 0 HG12 VAL A 31 -5.987 7.027 -3.384 1.00 41.51 H new ATOM 0 HG13 VAL A 31 -5.208 7.288 -1.805 1.00 41.51 H new ATOM 0 HG21 VAL A 31 -4.822 10.329 -2.174 1.00 11.30 H new ATOM 0 HG22 VAL A 31 -3.539 9.255 -1.567 1.00 11.30 H new ATOM 0 HG23 VAL A 31 -3.241 10.283 -2.989 1.00 11.30 H new ATOM 468 N ALA A 32 -4.223 6.790 -5.906 1.00 65.05 N ATOM 469 CA ALA A 32 -4.753 5.775 -6.827 1.00 11.32 C ATOM 470 C ALA A 32 -3.765 4.611 -7.016 1.00 1.24 C ATOM 471 O ALA A 32 -4.167 3.446 -7.099 1.00 70.24 O ATOM 472 CB ALA A 32 -5.098 6.410 -8.173 1.00 21.01 C ATOM 0 H ALA A 32 -4.153 7.725 -6.307 1.00 65.05 H new ATOM 0 HA ALA A 32 -5.662 5.366 -6.386 1.00 11.32 H new ATOM 0 HB1 ALA A 32 -5.489 5.647 -8.846 1.00 21.01 H new ATOM 0 HB2 ALA A 32 -5.850 7.186 -8.027 1.00 21.01 H new ATOM 0 HB3 ALA A 32 -4.201 6.851 -8.608 1.00 21.01 H new ATOM 478 N GLU A 33 -2.471 4.937 -7.060 1.00 12.03 N ATOM 479 CA GLU A 33 -1.419 3.926 -7.200 1.00 73.54 C ATOM 480 C GLU A 33 -1.357 3.017 -5.967 1.00 3.11 C ATOM 481 O GLU A 33 -1.327 1.795 -6.087 1.00 14.05 O ATOM 482 CB GLU A 33 -0.054 4.593 -7.410 1.00 34.43 C ATOM 483 CG GLU A 33 0.030 5.467 -8.657 1.00 30.21 C ATOM 484 CD GLU A 33 1.437 5.991 -8.899 1.00 12.51 C ATOM 485 OE1 GLU A 33 2.258 5.251 -9.482 1.00 44.24 O ATOM 486 OE2 GLU A 33 1.731 7.140 -8.505 1.00 12.52 O ATOM 0 H GLU A 33 -2.126 5.895 -7.001 1.00 12.03 H new ATOM 0 HA GLU A 33 -1.662 3.318 -8.072 1.00 73.54 H new ATOM 0 HB2 GLU A 33 0.178 5.202 -6.537 1.00 34.43 H new ATOM 0 HB3 GLU A 33 0.711 3.819 -7.471 1.00 34.43 H new ATOM 0 HG2 GLU A 33 -0.296 4.892 -9.524 1.00 30.21 H new ATOM 0 HG3 GLU A 33 -0.656 6.308 -8.556 1.00 30.21 H new ATOM 493 N LEU A 34 -1.342 3.622 -4.779 1.00 4.42 N ATOM 494 CA LEU A 34 -1.322 2.858 -3.525 1.00 13.45 C ATOM 495 C LEU A 34 -2.538 1.927 -3.420 1.00 3.24 C ATOM 496 O LEU A 34 -2.410 0.756 -3.064 1.00 4.12 O ATOM 497 CB LEU A 34 -1.285 3.805 -2.319 1.00 42.54 C ATOM 498 CG LEU A 34 -0.036 4.701 -2.218 1.00 74.24 C ATOM 499 CD1 LEU A 34 -0.115 5.604 -0.989 1.00 51.34 C ATOM 500 CD2 LEU A 34 1.237 3.856 -2.183 1.00 23.24 C ATOM 0 H LEU A 34 -1.343 4.635 -4.656 1.00 4.42 H new ATOM 0 HA LEU A 34 -0.420 2.245 -3.526 1.00 13.45 H new ATOM 0 HB2 LEU A 34 -2.167 4.444 -2.354 1.00 42.54 H new ATOM 0 HB3 LEU A 34 -1.358 3.209 -1.409 1.00 42.54 H new ATOM 0 HG LEU A 34 -0.002 5.333 -3.105 1.00 74.24 H new ATOM 0 HD11 LEU A 34 0.777 6.228 -0.938 1.00 51.34 H new ATOM 0 HD12 LEU A 34 -0.998 6.239 -1.060 1.00 51.34 H new ATOM 0 HD13 LEU A 34 -0.181 4.991 -0.090 1.00 51.34 H new ATOM 0 HD21 LEU A 34 2.106 4.510 -2.112 1.00 23.24 H new ATOM 0 HD22 LEU A 34 1.210 3.193 -1.318 1.00 23.24 H new ATOM 0 HD23 LEU A 34 1.304 3.262 -3.094 1.00 23.24 H new ATOM 512 N LYS A 35 -3.718 2.454 -3.742 1.00 52.30 N ATOM 513 CA LYS A 35 -4.946 1.652 -3.742 1.00 13.33 C ATOM 514 C LYS A 35 -4.879 0.514 -4.778 1.00 60.11 C ATOM 515 O LYS A 35 -5.455 -0.560 -4.581 1.00 12.13 O ATOM 516 CB LYS A 35 -6.166 2.548 -4.000 1.00 30.34 C ATOM 517 CG LYS A 35 -6.428 3.556 -2.883 1.00 11.12 C ATOM 518 CD LYS A 35 -7.735 4.317 -3.091 1.00 12.31 C ATOM 519 CE LYS A 35 -8.034 5.245 -1.919 1.00 15.14 C ATOM 520 NZ LYS A 35 -9.342 5.932 -2.063 1.00 74.34 N ATOM 0 H LYS A 35 -3.852 3.430 -4.006 1.00 52.30 H new ATOM 0 HA LYS A 35 -5.047 1.194 -2.758 1.00 13.33 H new ATOM 0 HB2 LYS A 35 -6.021 3.086 -4.937 1.00 30.34 H new ATOM 0 HB3 LYS A 35 -7.048 1.920 -4.126 1.00 30.34 H new ATOM 0 HG2 LYS A 35 -6.460 3.035 -1.926 1.00 11.12 H new ATOM 0 HG3 LYS A 35 -5.601 4.264 -2.833 1.00 11.12 H new ATOM 0 HD2 LYS A 35 -7.676 4.899 -4.011 1.00 12.31 H new ATOM 0 HD3 LYS A 35 -8.554 3.608 -3.214 1.00 12.31 H new ATOM 0 HE2 LYS A 35 -8.028 4.670 -0.993 1.00 15.14 H new ATOM 0 HE3 LYS A 35 -7.242 5.990 -1.837 1.00 15.14 H new ATOM 0 HZ1 LYS A 35 -9.501 6.551 -1.243 1.00 74.34 H new ATOM 0 HZ2 LYS A 35 -9.341 6.502 -2.933 1.00 74.34 H new ATOM 0 HZ3 LYS A 35 -10.102 5.224 -2.115 1.00 74.34 H new ATOM 534 N GLN A 36 -4.165 0.747 -5.876 1.00 14.20 N ATOM 535 CA GLN A 36 -3.939 -0.291 -6.887 1.00 53.14 C ATOM 536 C GLN A 36 -2.992 -1.371 -6.326 1.00 34.40 C ATOM 537 O GLN A 36 -3.243 -2.571 -6.463 1.00 22.21 O ATOM 538 CB GLN A 36 -3.373 0.356 -8.168 1.00 33.30 C ATOM 539 CG GLN A 36 -3.478 -0.507 -9.430 1.00 3.51 C ATOM 540 CD GLN A 36 -2.361 -1.530 -9.569 1.00 2.00 C ATOM 541 OE1 GLN A 36 -1.239 -1.312 -9.122 1.00 54.45 O ATOM 542 NE2 GLN A 36 -2.656 -2.650 -10.198 1.00 13.32 N ATOM 0 H GLN A 36 -3.731 1.645 -6.092 1.00 14.20 H new ATOM 0 HA GLN A 36 -4.881 -0.777 -7.141 1.00 53.14 H new ATOM 0 HB2 GLN A 36 -3.896 1.296 -8.344 1.00 33.30 H new ATOM 0 HB3 GLN A 36 -2.324 0.602 -8.000 1.00 33.30 H new ATOM 0 HG2 GLN A 36 -4.436 -1.027 -9.424 1.00 3.51 H new ATOM 0 HG3 GLN A 36 -3.474 0.143 -10.305 1.00 3.51 H new ATOM 0 HE21 GLN A 36 -3.599 -2.800 -10.558 1.00 13.32 H new ATOM 0 HE22 GLN A 36 -1.942 -3.367 -10.325 1.00 13.32 H new ATOM 551 N GLU A 37 -1.929 -0.924 -5.656 1.00 22.52 N ATOM 552 CA GLU A 37 -0.991 -1.817 -4.955 1.00 52.43 C ATOM 553 C GLU A 37 -1.703 -2.677 -3.892 1.00 23.10 C ATOM 554 O GLU A 37 -1.295 -3.810 -3.614 1.00 32.41 O ATOM 555 CB GLU A 37 0.112 -0.983 -4.281 1.00 51.23 C ATOM 556 CG GLU A 37 1.082 -0.311 -5.252 1.00 35.43 C ATOM 557 CD GLU A 37 2.046 -1.293 -5.904 1.00 63.42 C ATOM 558 OE1 GLU A 37 2.821 -1.942 -5.168 1.00 51.44 O ATOM 559 OE2 GLU A 37 2.053 -1.407 -7.149 1.00 53.55 O ATOM 0 H GLU A 37 -1.690 0.065 -5.581 1.00 22.52 H new ATOM 0 HA GLU A 37 -0.557 -2.488 -5.696 1.00 52.43 H new ATOM 0 HB2 GLU A 37 -0.356 -0.215 -3.665 1.00 51.23 H new ATOM 0 HB3 GLU A 37 0.679 -1.628 -3.610 1.00 51.23 H new ATOM 0 HG2 GLU A 37 0.514 0.202 -6.028 1.00 35.43 H new ATOM 0 HG3 GLU A 37 1.652 0.450 -4.719 1.00 35.43 H new ATOM 566 N LEU A 38 -2.745 -2.117 -3.282 1.00 31.33 N ATOM 567 CA LEU A 38 -3.543 -2.832 -2.278 1.00 31.42 C ATOM 568 C LEU A 38 -4.371 -3.968 -2.905 1.00 4.32 C ATOM 569 O LEU A 38 -4.228 -5.136 -2.528 1.00 43.13 O ATOM 570 CB LEU A 38 -4.483 -1.856 -1.552 1.00 53.10 C ATOM 571 CG LEU A 38 -3.802 -0.808 -0.651 1.00 22.53 C ATOM 572 CD1 LEU A 38 -4.820 0.209 -0.147 1.00 22.10 C ATOM 573 CD2 LEU A 38 -3.095 -1.476 0.527 1.00 0.32 C ATOM 0 H LEU A 38 -3.061 -1.165 -3.464 1.00 31.33 H new ATOM 0 HA LEU A 38 -2.846 -3.274 -1.566 1.00 31.42 H new ATOM 0 HB2 LEU A 38 -5.078 -1.332 -2.300 1.00 53.10 H new ATOM 0 HB3 LEU A 38 -5.176 -2.436 -0.942 1.00 53.10 H new ATOM 0 HG LEU A 38 -3.054 -0.287 -1.249 1.00 22.53 H new ATOM 0 HD11 LEU A 38 -4.320 0.941 0.488 1.00 22.10 H new ATOM 0 HD12 LEU A 38 -5.277 0.717 -0.996 1.00 22.10 H new ATOM 0 HD13 LEU A 38 -5.592 -0.303 0.428 1.00 22.10 H new ATOM 0 HD21 LEU A 38 -2.623 -0.714 1.147 1.00 0.32 H new ATOM 0 HD22 LEU A 38 -3.822 -2.029 1.122 1.00 0.32 H new ATOM 0 HD23 LEU A 38 -2.335 -2.162 0.154 1.00 0.32 H new ATOM 585 N LYS A 39 -5.229 -3.619 -3.867 1.00 70.25 N ATOM 586 CA LYS A 39 -6.172 -4.584 -4.460 1.00 32.43 C ATOM 587 C LYS A 39 -5.456 -5.799 -5.078 1.00 31.12 C ATOM 588 O LYS A 39 -5.998 -6.906 -5.089 1.00 32.12 O ATOM 589 CB LYS A 39 -7.054 -3.898 -5.515 1.00 0.13 C ATOM 590 CG LYS A 39 -6.295 -3.402 -6.740 1.00 70.12 C ATOM 591 CD LYS A 39 -7.218 -2.775 -7.791 1.00 53.10 C ATOM 592 CE LYS A 39 -7.759 -1.408 -7.370 1.00 75.41 C ATOM 593 NZ LYS A 39 -8.752 -1.488 -6.263 1.00 53.12 N ATOM 0 H LYS A 39 -5.294 -2.678 -4.255 1.00 70.25 H new ATOM 0 HA LYS A 39 -6.800 -4.953 -3.649 1.00 32.43 H new ATOM 0 HB2 LYS A 39 -7.825 -4.598 -5.838 1.00 0.13 H new ATOM 0 HB3 LYS A 39 -7.564 -3.054 -5.052 1.00 0.13 H new ATOM 0 HG2 LYS A 39 -5.552 -2.667 -6.430 1.00 70.12 H new ATOM 0 HG3 LYS A 39 -5.752 -4.234 -7.188 1.00 70.12 H new ATOM 0 HD2 LYS A 39 -6.673 -2.671 -8.729 1.00 53.10 H new ATOM 0 HD3 LYS A 39 -8.054 -3.448 -7.981 1.00 53.10 H new ATOM 0 HE2 LYS A 39 -6.928 -0.775 -7.059 1.00 75.41 H new ATOM 0 HE3 LYS A 39 -8.222 -0.926 -8.231 1.00 75.41 H new ATOM 0 HZ1 LYS A 39 -9.498 -0.779 -6.414 1.00 53.12 H new ATOM 0 HZ2 LYS A 39 -9.176 -2.438 -6.245 1.00 53.12 H new ATOM 0 HZ3 LYS A 39 -8.277 -1.304 -5.356 1.00 53.12 H new ATOM 607 N LEU A 40 -4.243 -5.592 -5.594 1.00 42.32 N ATOM 608 CA LEU A 40 -3.437 -6.693 -6.151 1.00 52.21 C ATOM 609 C LEU A 40 -3.163 -7.784 -5.105 1.00 74.04 C ATOM 610 O LEU A 40 -3.114 -8.974 -5.422 1.00 24.41 O ATOM 611 CB LEU A 40 -2.094 -6.162 -6.670 1.00 34.04 C ATOM 612 CG LEU A 40 -2.172 -5.194 -7.860 1.00 2.14 C ATOM 613 CD1 LEU A 40 -0.783 -4.652 -8.195 1.00 20.20 C ATOM 614 CD2 LEU A 40 -2.798 -5.878 -9.078 1.00 13.34 C ATOM 0 H LEU A 40 -3.794 -4.677 -5.640 1.00 42.32 H new ATOM 0 HA LEU A 40 -4.012 -7.127 -6.969 1.00 52.21 H new ATOM 0 HB2 LEU A 40 -1.582 -5.659 -5.850 1.00 34.04 H new ATOM 0 HB3 LEU A 40 -1.475 -7.012 -6.958 1.00 34.04 H new ATOM 0 HG LEU A 40 -2.811 -4.356 -7.581 1.00 2.14 H new ATOM 0 HD11 LEU A 40 -0.854 -3.967 -9.040 1.00 20.20 H new ATOM 0 HD12 LEU A 40 -0.381 -4.122 -7.331 1.00 20.20 H new ATOM 0 HD13 LEU A 40 -0.122 -5.479 -8.453 1.00 20.20 H new ATOM 0 HD21 LEU A 40 -2.843 -5.173 -9.908 1.00 13.34 H new ATOM 0 HD22 LEU A 40 -2.192 -6.738 -9.364 1.00 13.34 H new ATOM 0 HD23 LEU A 40 -3.806 -6.211 -8.830 1.00 13.34 H new ATOM 626 N ARG A 41 -2.988 -7.364 -3.856 1.00 1.05 N ATOM 627 CA ARG A 41 -2.582 -8.266 -2.774 1.00 24.45 C ATOM 628 C ARG A 41 -3.679 -8.431 -1.706 1.00 30.33 C ATOM 629 O ARG A 41 -3.383 -8.584 -0.521 1.00 64.44 O ATOM 630 CB ARG A 41 -1.284 -7.735 -2.152 1.00 24.53 C ATOM 631 CG ARG A 41 -0.070 -7.905 -3.064 1.00 44.35 C ATOM 632 CD ARG A 41 1.146 -7.126 -2.569 1.00 23.33 C ATOM 633 NE ARG A 41 0.980 -5.684 -2.754 1.00 14.11 N ATOM 634 CZ ARG A 41 1.890 -4.898 -3.262 1.00 62.34 C ATOM 635 NH1 ARG A 41 3.046 -5.366 -3.616 1.00 74.32 N ATOM 636 NH2 ARG A 41 1.635 -3.644 -3.418 1.00 12.31 N ATOM 0 H ARG A 41 -3.122 -6.396 -3.563 1.00 1.05 H new ATOM 0 HA ARG A 41 -2.416 -9.258 -3.193 1.00 24.45 H new ATOM 0 HB2 ARG A 41 -1.408 -6.678 -1.914 1.00 24.53 H new ATOM 0 HB3 ARG A 41 -1.100 -8.254 -1.211 1.00 24.53 H new ATOM 0 HG2 ARG A 41 0.184 -8.963 -3.133 1.00 44.35 H new ATOM 0 HG3 ARG A 41 -0.326 -7.572 -4.070 1.00 44.35 H new ATOM 0 HD2 ARG A 41 1.310 -7.340 -1.513 1.00 23.33 H new ATOM 0 HD3 ARG A 41 2.035 -7.461 -3.104 1.00 23.33 H new ATOM 0 HE ARG A 41 0.095 -5.266 -2.467 1.00 14.11 H new ATOM 0 HH11 ARG A 41 3.252 -6.358 -3.499 1.00 74.32 H new ATOM 0 HH12 ARG A 41 3.749 -4.742 -4.012 1.00 74.32 H new ATOM 0 HH21 ARG A 41 0.726 -3.271 -3.145 1.00 12.31 H new ATOM 0 HH22 ARG A 41 2.342 -3.025 -3.814 1.00 12.31 H new ATOM 650 N SER A 42 -4.942 -8.403 -2.142 1.00 21.41 N ATOM 651 CA SER A 42 -6.096 -8.708 -1.269 1.00 54.22 C ATOM 652 C SER A 42 -6.338 -7.633 -0.191 1.00 15.43 C ATOM 653 O SER A 42 -7.157 -7.821 0.710 1.00 72.24 O ATOM 654 CB SER A 42 -5.908 -10.085 -0.601 1.00 44.15 C ATOM 655 OG SER A 42 -7.042 -10.458 0.171 1.00 2.22 O ATOM 0 H SER A 42 -5.200 -8.171 -3.101 1.00 21.41 H new ATOM 0 HA SER A 42 -6.977 -8.721 -1.910 1.00 54.22 H new ATOM 0 HB2 SER A 42 -5.726 -10.839 -1.367 1.00 44.15 H new ATOM 0 HB3 SER A 42 -5.025 -10.061 0.038 1.00 44.15 H new ATOM 0 HG SER A 42 -7.417 -9.664 0.606 1.00 2.22 H new ATOM 661 N LEU A 43 -5.650 -6.501 -0.298 1.00 20.25 N ATOM 662 CA LEU A 43 -5.761 -5.430 0.700 1.00 24.31 C ATOM 663 C LEU A 43 -6.897 -4.441 0.367 1.00 11.34 C ATOM 664 O LEU A 43 -7.129 -4.117 -0.801 1.00 14.23 O ATOM 665 CB LEU A 43 -4.421 -4.690 0.806 1.00 32.11 C ATOM 666 CG LEU A 43 -3.278 -5.490 1.451 1.00 23.51 C ATOM 667 CD1 LEU A 43 -1.940 -4.774 1.273 1.00 32.54 C ATOM 668 CD2 LEU A 43 -3.570 -5.723 2.931 1.00 23.32 C ATOM 0 H LEU A 43 -5.008 -6.296 -1.064 1.00 20.25 H new ATOM 0 HA LEU A 43 -6.007 -5.887 1.659 1.00 24.31 H new ATOM 0 HB2 LEU A 43 -4.111 -4.388 -0.195 1.00 32.11 H new ATOM 0 HB3 LEU A 43 -4.573 -3.777 1.382 1.00 32.11 H new ATOM 0 HG LEU A 43 -3.210 -6.456 0.950 1.00 23.51 H new ATOM 0 HD11 LEU A 43 -1.148 -5.361 1.738 1.00 32.54 H new ATOM 0 HD12 LEU A 43 -1.728 -4.657 0.210 1.00 32.54 H new ATOM 0 HD13 LEU A 43 -1.988 -3.792 1.743 1.00 32.54 H new ATOM 0 HD21 LEU A 43 -2.754 -6.291 3.378 1.00 23.32 H new ATOM 0 HD22 LEU A 43 -3.665 -4.763 3.439 1.00 23.32 H new ATOM 0 HD23 LEU A 43 -4.500 -6.282 3.035 1.00 23.32 H new ATOM 680 N PRO A 44 -7.624 -3.955 1.400 1.00 44.14 N ATOM 681 CA PRO A 44 -8.721 -2.982 1.225 1.00 24.22 C ATOM 682 C PRO A 44 -8.227 -1.544 0.958 1.00 44.13 C ATOM 683 O PRO A 44 -7.235 -1.097 1.536 1.00 14.43 O ATOM 684 CB PRO A 44 -9.459 -3.059 2.567 1.00 22.24 C ATOM 685 CG PRO A 44 -8.400 -3.422 3.553 1.00 12.41 C ATOM 686 CD PRO A 44 -7.444 -4.329 2.820 1.00 53.20 C ATOM 0 HA PRO A 44 -9.336 -3.217 0.357 1.00 24.22 H new ATOM 0 HB2 PRO A 44 -9.926 -2.107 2.819 1.00 22.24 H new ATOM 0 HB3 PRO A 44 -10.252 -3.807 2.542 1.00 22.24 H new ATOM 0 HG2 PRO A 44 -7.889 -2.533 3.922 1.00 12.41 H new ATOM 0 HG3 PRO A 44 -8.829 -3.926 4.419 1.00 12.41 H new ATOM 0 HD2 PRO A 44 -6.416 -4.175 3.147 1.00 53.20 H new ATOM 0 HD3 PRO A 44 -7.679 -5.380 2.990 1.00 53.20 H new ATOM 694 N VAL A 45 -8.951 -0.817 0.100 1.00 12.23 N ATOM 695 CA VAL A 45 -8.555 0.539 -0.318 1.00 13.10 C ATOM 696 C VAL A 45 -9.277 1.644 0.482 1.00 53.53 C ATOM 697 O VAL A 45 -9.045 2.839 0.266 1.00 52.35 O ATOM 698 CB VAL A 45 -8.834 0.745 -1.828 1.00 32.54 C ATOM 699 CG1 VAL A 45 -8.086 -0.295 -2.661 1.00 32.43 C ATOM 700 CG2 VAL A 45 -10.335 0.703 -2.121 1.00 43.23 C ATOM 0 H VAL A 45 -9.820 -1.144 -0.322 1.00 12.23 H new ATOM 0 HA VAL A 45 -7.487 0.622 -0.117 1.00 13.10 H new ATOM 0 HB VAL A 45 -8.468 1.733 -2.108 1.00 32.54 H new ATOM 0 HG11 VAL A 45 -8.295 -0.133 -3.718 1.00 32.43 H new ATOM 0 HG12 VAL A 45 -7.015 -0.200 -2.484 1.00 32.43 H new ATOM 0 HG13 VAL A 45 -8.414 -1.294 -2.375 1.00 32.43 H new ATOM 0 HG21 VAL A 45 -10.502 0.850 -3.188 1.00 43.23 H new ATOM 0 HG22 VAL A 45 -10.737 -0.265 -1.821 1.00 43.23 H new ATOM 0 HG23 VAL A 45 -10.837 1.493 -1.563 1.00 43.23 H new ATOM 710 N SER A 46 -10.136 1.242 1.414 1.00 11.33 N ATOM 711 CA SER A 46 -10.956 2.184 2.199 1.00 4.23 C ATOM 712 C SER A 46 -10.176 2.835 3.358 1.00 35.13 C ATOM 713 O SER A 46 -10.683 2.948 4.477 1.00 43.20 O ATOM 714 CB SER A 46 -12.188 1.452 2.741 1.00 64.41 C ATOM 715 OG SER A 46 -11.821 0.240 3.387 1.00 4.23 O ATOM 0 H SER A 46 -10.289 0.262 1.652 1.00 11.33 H new ATOM 0 HA SER A 46 -11.256 2.992 1.531 1.00 4.23 H new ATOM 0 HB2 SER A 46 -12.718 2.096 3.443 1.00 64.41 H new ATOM 0 HB3 SER A 46 -12.876 1.238 1.923 1.00 64.41 H new ATOM 0 HG SER A 46 -12.625 -0.207 3.725 1.00 4.23 H new ATOM 721 N GLY A 47 -8.959 3.299 3.075 1.00 63.42 N ATOM 722 CA GLY A 47 -8.138 3.943 4.102 1.00 22.22 C ATOM 723 C GLY A 47 -7.531 5.275 3.655 1.00 33.04 C ATOM 724 O GLY A 47 -7.657 5.674 2.491 1.00 11.42 O ATOM 0 H GLY A 47 -8.523 3.243 2.155 1.00 63.42 H new ATOM 0 HA2 GLY A 47 -8.747 4.111 4.990 1.00 22.22 H new ATOM 0 HA3 GLY A 47 -7.334 3.266 4.390 1.00 22.22 H new ATOM 728 N THR A 48 -6.880 5.969 4.591 1.00 25.12 N ATOM 729 CA THR A 48 -6.198 7.242 4.301 1.00 13.51 C ATOM 730 C THR A 48 -4.812 7.004 3.684 1.00 71.43 C ATOM 731 O THR A 48 -4.348 5.867 3.615 1.00 24.30 O ATOM 732 CB THR A 48 -6.020 8.082 5.587 1.00 1.40 C ATOM 733 OG1 THR A 48 -5.150 7.397 6.502 1.00 23.43 O ATOM 734 CG2 THR A 48 -7.363 8.347 6.261 1.00 74.03 C ATOM 0 H THR A 48 -6.808 5.672 5.564 1.00 25.12 H new ATOM 0 HA THR A 48 -6.826 7.781 3.591 1.00 13.51 H new ATOM 0 HB THR A 48 -5.579 9.039 5.308 1.00 1.40 H new ATOM 0 HG1 THR A 48 -5.040 7.935 7.314 1.00 23.43 H new ATOM 0 HG21 THR A 48 -7.207 8.940 7.162 1.00 74.03 H new ATOM 0 HG22 THR A 48 -8.012 8.892 5.576 1.00 74.03 H new ATOM 0 HG23 THR A 48 -7.830 7.399 6.527 1.00 74.03 H new ATOM 742 N LYS A 49 -4.147 8.079 3.251 1.00 2.22 N ATOM 743 CA LYS A 49 -2.811 7.981 2.638 1.00 13.24 C ATOM 744 C LYS A 49 -1.851 7.147 3.503 1.00 74.02 C ATOM 745 O LYS A 49 -1.197 6.223 3.011 1.00 44.20 O ATOM 746 CB LYS A 49 -2.222 9.383 2.417 1.00 73.24 C ATOM 747 CG LYS A 49 -0.848 9.388 1.743 1.00 75.50 C ATOM 748 CD LYS A 49 -0.907 8.874 0.307 1.00 25.33 C ATOM 749 CE LYS A 49 0.452 8.962 -0.383 1.00 2.05 C ATOM 750 NZ LYS A 49 0.971 10.356 -0.428 1.00 15.22 N ATOM 0 H LYS A 49 -4.509 9.031 3.312 1.00 2.22 H new ATOM 0 HA LYS A 49 -2.927 7.479 1.678 1.00 13.24 H new ATOM 0 HB2 LYS A 49 -2.915 9.964 1.808 1.00 73.24 H new ATOM 0 HB3 LYS A 49 -2.144 9.888 3.380 1.00 73.24 H new ATOM 0 HG2 LYS A 49 -0.447 10.401 1.748 1.00 75.50 H new ATOM 0 HG3 LYS A 49 -0.160 8.770 2.320 1.00 75.50 H new ATOM 0 HD2 LYS A 49 -1.249 7.839 0.305 1.00 25.33 H new ATOM 0 HD3 LYS A 49 -1.639 9.453 -0.256 1.00 25.33 H new ATOM 0 HE2 LYS A 49 1.166 8.327 0.142 1.00 2.05 H new ATOM 0 HE3 LYS A 49 0.368 8.575 -1.398 1.00 2.05 H new ATOM 0 HZ1 LYS A 49 1.763 10.410 -1.100 1.00 15.22 H new ATOM 0 HZ2 LYS A 49 0.213 10.999 -0.734 1.00 15.22 H new ATOM 0 HZ3 LYS A 49 1.300 10.635 0.518 1.00 15.22 H new ATOM 764 N THR A 50 -1.776 7.479 4.792 1.00 20.52 N ATOM 765 CA THR A 50 -0.940 6.725 5.737 1.00 15.51 C ATOM 766 C THR A 50 -1.416 5.274 5.869 1.00 4.01 C ATOM 767 O THR A 50 -0.606 4.355 5.933 1.00 34.35 O ATOM 768 CB THR A 50 -0.919 7.391 7.137 1.00 4.01 C ATOM 769 OG1 THR A 50 -0.339 8.701 7.040 1.00 21.11 O ATOM 770 CG2 THR A 50 -0.131 6.563 8.152 1.00 14.01 C ATOM 0 H THR A 50 -2.281 8.262 5.208 1.00 20.52 H new ATOM 0 HA THR A 50 0.072 6.730 5.332 1.00 15.51 H new ATOM 0 HB THR A 50 -1.950 7.458 7.486 1.00 4.01 H new ATOM 0 HG1 THR A 50 -0.328 9.120 7.926 1.00 21.11 H new ATOM 0 HG21 THR A 50 -0.142 7.066 9.119 1.00 14.01 H new ATOM 0 HG22 THR A 50 -0.587 5.578 8.250 1.00 14.01 H new ATOM 0 HG23 THR A 50 0.899 6.454 7.811 1.00 14.01 H new ATOM 778 N GLU A 51 -2.734 5.071 5.894 1.00 63.35 N ATOM 779 CA GLU A 51 -3.304 3.720 5.983 1.00 53.33 C ATOM 780 C GLU A 51 -2.903 2.850 4.785 1.00 2.41 C ATOM 781 O GLU A 51 -2.580 1.677 4.950 1.00 64.12 O ATOM 782 CB GLU A 51 -4.834 3.782 6.093 1.00 71.11 C ATOM 783 CG GLU A 51 -5.332 4.267 7.448 1.00 31.23 C ATOM 784 CD GLU A 51 -4.841 3.392 8.588 1.00 63.21 C ATOM 785 OE1 GLU A 51 -5.231 2.202 8.639 1.00 31.43 O ATOM 786 OE2 GLU A 51 -4.069 3.881 9.436 1.00 71.34 O ATOM 0 H GLU A 51 -3.426 5.819 5.854 1.00 63.35 H new ATOM 0 HA GLU A 51 -2.898 3.260 6.884 1.00 53.33 H new ATOM 0 HB2 GLU A 51 -5.219 4.443 5.317 1.00 71.11 H new ATOM 0 HB3 GLU A 51 -5.244 2.791 5.899 1.00 71.11 H new ATOM 0 HG2 GLU A 51 -4.999 5.292 7.610 1.00 31.23 H new ATOM 0 HG3 GLU A 51 -6.422 4.283 7.448 1.00 31.23 H new ATOM 793 N LEU A 52 -2.932 3.426 3.584 1.00 24.25 N ATOM 794 CA LEU A 52 -2.528 2.706 2.370 1.00 51.15 C ATOM 795 C LEU A 52 -1.078 2.209 2.502 1.00 22.31 C ATOM 796 O LEU A 52 -0.780 1.036 2.274 1.00 25.33 O ATOM 797 CB LEU A 52 -2.656 3.617 1.136 1.00 44.44 C ATOM 798 CG LEU A 52 -3.988 4.378 0.995 1.00 32.22 C ATOM 799 CD1 LEU A 52 -4.003 5.221 -0.278 1.00 50.11 C ATOM 800 CD2 LEU A 52 -5.175 3.421 1.021 1.00 24.40 C ATOM 0 H LEU A 52 -3.230 4.388 3.422 1.00 24.25 H new ATOM 0 HA LEU A 52 -3.188 1.848 2.245 1.00 51.15 H new ATOM 0 HB2 LEU A 52 -1.845 4.345 1.161 1.00 44.44 H new ATOM 0 HB3 LEU A 52 -2.511 3.009 0.243 1.00 44.44 H new ATOM 0 HG LEU A 52 -4.078 5.049 1.849 1.00 32.22 H new ATOM 0 HD11 LEU A 52 -4.954 5.748 -0.354 1.00 50.11 H new ATOM 0 HD12 LEU A 52 -3.189 5.945 -0.245 1.00 50.11 H new ATOM 0 HD13 LEU A 52 -3.877 4.573 -1.145 1.00 50.11 H new ATOM 0 HD21 LEU A 52 -6.101 3.987 0.920 1.00 24.40 H new ATOM 0 HD22 LEU A 52 -5.090 2.713 0.196 1.00 24.40 H new ATOM 0 HD23 LEU A 52 -5.184 2.878 1.966 1.00 24.40 H new ATOM 812 N ILE A 53 -0.189 3.122 2.894 1.00 50.53 N ATOM 813 CA ILE A 53 1.236 2.812 3.076 1.00 64.34 C ATOM 814 C ILE A 53 1.462 1.776 4.196 1.00 45.01 C ATOM 815 O ILE A 53 2.076 0.729 3.974 1.00 14.50 O ATOM 816 CB ILE A 53 2.042 4.099 3.399 1.00 52.22 C ATOM 817 CG1 ILE A 53 1.927 5.101 2.235 1.00 43.11 C ATOM 818 CG2 ILE A 53 3.509 3.776 3.700 1.00 21.32 C ATOM 819 CD1 ILE A 53 2.642 6.414 2.474 1.00 55.21 C ATOM 0 H ILE A 53 -0.431 4.093 3.094 1.00 50.53 H new ATOM 0 HA ILE A 53 1.588 2.385 2.137 1.00 64.34 H new ATOM 0 HB ILE A 53 1.618 4.553 4.294 1.00 52.22 H new ATOM 0 HG12 ILE A 53 2.329 4.640 1.333 1.00 43.11 H new ATOM 0 HG13 ILE A 53 0.873 5.303 2.047 1.00 43.11 H new ATOM 0 HG21 ILE A 53 4.046 4.698 3.922 1.00 21.32 H new ATOM 0 HG22 ILE A 53 3.565 3.107 4.559 1.00 21.32 H new ATOM 0 HG23 ILE A 53 3.960 3.293 2.833 1.00 21.32 H new ATOM 0 HD11 ILE A 53 2.512 7.062 1.607 1.00 55.21 H new ATOM 0 HD12 ILE A 53 2.225 6.900 3.356 1.00 55.21 H new ATOM 0 HD13 ILE A 53 3.704 6.227 2.631 1.00 55.21 H new ATOM 831 N GLU A 54 0.960 2.077 5.395 1.00 1.24 N ATOM 832 CA GLU A 54 1.135 1.206 6.569 1.00 1.23 C ATOM 833 C GLU A 54 0.549 -0.196 6.345 1.00 12.14 C ATOM 834 O GLU A 54 1.162 -1.204 6.707 1.00 52.24 O ATOM 835 CB GLU A 54 0.486 1.849 7.807 1.00 71.34 C ATOM 836 CG GLU A 54 1.200 3.106 8.295 1.00 72.22 C ATOM 837 CD GLU A 54 2.597 2.818 8.822 1.00 15.33 C ATOM 838 OE1 GLU A 54 3.562 2.853 8.032 1.00 23.12 O ATOM 839 OE2 GLU A 54 2.736 2.537 10.034 1.00 54.30 O ATOM 0 H GLU A 54 0.424 2.924 5.584 1.00 1.24 H new ATOM 0 HA GLU A 54 2.207 1.094 6.730 1.00 1.23 H new ATOM 0 HB2 GLU A 54 -0.549 2.098 7.575 1.00 71.34 H new ATOM 0 HB3 GLU A 54 0.464 1.118 8.615 1.00 71.34 H new ATOM 0 HG2 GLU A 54 1.265 3.823 7.477 1.00 72.22 H new ATOM 0 HG3 GLU A 54 0.608 3.573 9.082 1.00 72.22 H new ATOM 846 N ARG A 55 -0.633 -0.257 5.738 1.00 54.13 N ATOM 847 CA ARG A 55 -1.308 -1.536 5.492 1.00 12.31 C ATOM 848 C ARG A 55 -0.513 -2.389 4.487 1.00 62.32 C ATOM 849 O ARG A 55 -0.459 -3.614 4.601 1.00 1.53 O ATOM 850 CB ARG A 55 -2.740 -1.282 4.997 1.00 35.12 C ATOM 851 CG ARG A 55 -3.709 -2.429 5.271 1.00 4.41 C ATOM 852 CD ARG A 55 -5.161 -1.978 5.125 1.00 22.23 C ATOM 853 NE ARG A 55 -5.465 -0.814 5.973 1.00 54.32 N ATOM 854 CZ ARG A 55 -6.674 -0.434 6.307 1.00 65.12 C ATOM 855 NH1 ARG A 55 -7.700 -1.160 5.997 1.00 54.32 N ATOM 856 NH2 ARG A 55 -6.855 0.653 6.993 1.00 33.21 N ATOM 0 H ARG A 55 -1.146 0.560 5.407 1.00 54.13 H new ATOM 0 HA ARG A 55 -1.359 -2.095 6.426 1.00 12.31 H new ATOM 0 HB2 ARG A 55 -3.121 -0.378 5.471 1.00 35.12 H new ATOM 0 HB3 ARG A 55 -2.713 -1.092 3.924 1.00 35.12 H new ATOM 0 HG2 ARG A 55 -3.510 -3.249 4.581 1.00 4.41 H new ATOM 0 HG3 ARG A 55 -3.545 -2.813 6.278 1.00 4.41 H new ATOM 0 HD2 ARG A 55 -5.360 -1.729 4.083 1.00 22.23 H new ATOM 0 HD3 ARG A 55 -5.825 -2.802 5.388 1.00 22.23 H new ATOM 0 HE ARG A 55 -4.681 -0.265 6.325 1.00 54.32 H new ATOM 0 HH11 ARG A 55 -7.571 -2.035 5.489 1.00 54.32 H new ATOM 0 HH12 ARG A 55 -8.638 -0.857 6.261 1.00 54.32 H new ATOM 0 HH21 ARG A 55 -6.054 1.217 7.275 1.00 33.21 H new ATOM 0 HH22 ARG A 55 -7.799 0.943 7.250 1.00 33.21 H new ATOM 870 N LEU A 56 0.115 -1.725 3.511 1.00 71.22 N ATOM 871 CA LEU A 56 1.034 -2.395 2.581 1.00 14.41 C ATOM 872 C LEU A 56 2.250 -2.974 3.320 1.00 2.50 C ATOM 873 O LEU A 56 2.578 -4.150 3.163 1.00 62.43 O ATOM 874 CB LEU A 56 1.514 -1.418 1.490 1.00 1.32 C ATOM 875 CG LEU A 56 0.504 -1.122 0.369 1.00 13.32 C ATOM 876 CD1 LEU A 56 1.000 0.021 -0.519 1.00 75.42 C ATOM 877 CD2 LEU A 56 0.246 -2.376 -0.466 1.00 34.01 C ATOM 0 H LEU A 56 0.005 -0.725 3.343 1.00 71.22 H new ATOM 0 HA LEU A 56 0.486 -3.214 2.115 1.00 14.41 H new ATOM 0 HB2 LEU A 56 1.787 -0.476 1.966 1.00 1.32 H new ATOM 0 HB3 LEU A 56 2.421 -1.822 1.040 1.00 1.32 H new ATOM 0 HG LEU A 56 -0.435 -0.815 0.829 1.00 13.32 H new ATOM 0 HD11 LEU A 56 0.270 0.214 -1.305 1.00 75.42 H new ATOM 0 HD12 LEU A 56 1.130 0.920 0.084 1.00 75.42 H new ATOM 0 HD13 LEU A 56 1.954 -0.255 -0.969 1.00 75.42 H new ATOM 0 HD21 LEU A 56 -0.471 -2.147 -1.254 1.00 34.01 H new ATOM 0 HD22 LEU A 56 1.181 -2.714 -0.913 1.00 34.01 H new ATOM 0 HD23 LEU A 56 -0.156 -3.162 0.173 1.00 34.01 H new ATOM 889 N ARG A 57 2.910 -2.137 4.126 1.00 1.41 N ATOM 890 CA ARG A 57 4.127 -2.551 4.839 1.00 5.23 C ATOM 891 C ARG A 57 3.867 -3.758 5.748 1.00 34.13 C ATOM 892 O ARG A 57 4.577 -4.765 5.679 1.00 60.24 O ATOM 893 CB ARG A 57 4.698 -1.393 5.673 1.00 45.22 C ATOM 894 CG ARG A 57 4.984 -0.123 4.872 1.00 74.24 C ATOM 895 CD ARG A 57 5.860 0.853 5.652 1.00 1.34 C ATOM 896 NE ARG A 57 7.233 0.362 5.781 1.00 53.43 N ATOM 897 CZ ARG A 57 7.783 -0.025 6.900 1.00 24.31 C ATOM 898 NH1 ARG A 57 7.130 0.035 8.012 1.00 63.42 N ATOM 899 NH2 ARG A 57 9.000 -0.465 6.902 1.00 20.51 N ATOM 0 H ARG A 57 2.626 -1.173 4.302 1.00 1.41 H new ATOM 0 HA ARG A 57 4.856 -2.840 4.082 1.00 5.23 H new ATOM 0 HB2 ARG A 57 3.995 -1.155 6.471 1.00 45.22 H new ATOM 0 HB3 ARG A 57 5.621 -1.724 6.149 1.00 45.22 H new ATOM 0 HG2 ARG A 57 5.477 -0.387 3.936 1.00 74.24 H new ATOM 0 HG3 ARG A 57 4.043 0.362 4.611 1.00 74.24 H new ATOM 0 HD2 ARG A 57 5.865 1.820 5.149 1.00 1.34 H new ATOM 0 HD3 ARG A 57 5.435 1.011 6.643 1.00 1.34 H new ATOM 0 HE ARG A 57 7.801 0.319 4.935 1.00 53.43 H new ATOM 0 HH11 ARG A 57 6.173 0.388 8.023 1.00 63.42 H new ATOM 0 HH12 ARG A 57 7.571 -0.270 8.880 1.00 63.42 H new ATOM 0 HH21 ARG A 57 9.528 -0.509 6.030 1.00 20.51 H new ATOM 0 HH22 ARG A 57 9.431 -0.768 7.775 1.00 20.51 H new ATOM 913 N ALA A 58 2.840 -3.652 6.591 1.00 71.34 N ATOM 914 CA ALA A 58 2.479 -4.724 7.522 1.00 41.03 C ATOM 915 C ALA A 58 2.179 -6.044 6.789 1.00 43.11 C ATOM 916 O ALA A 58 2.763 -7.082 7.100 1.00 13.10 O ATOM 917 CB ALA A 58 1.282 -4.299 8.367 1.00 64.31 C ATOM 0 H ALA A 58 2.239 -2.830 6.649 1.00 71.34 H new ATOM 0 HA ALA A 58 3.335 -4.902 8.173 1.00 41.03 H new ATOM 0 HB1 ALA A 58 1.020 -5.102 9.056 1.00 64.31 H new ATOM 0 HB2 ALA A 58 1.536 -3.403 8.933 1.00 64.31 H new ATOM 0 HB3 ALA A 58 0.433 -4.089 7.716 1.00 64.31 H new ATOM 923 N TYR A 59 1.276 -5.988 5.808 1.00 4.53 N ATOM 924 CA TYR A 59 0.901 -7.175 5.025 1.00 14.14 C ATOM 925 C TYR A 59 2.120 -7.814 4.338 1.00 11.43 C ATOM 926 O TYR A 59 2.444 -8.979 4.574 1.00 4.53 O ATOM 927 CB TYR A 59 -0.154 -6.802 3.970 1.00 3.42 C ATOM 928 CG TYR A 59 -0.468 -7.918 2.987 1.00 31.30 C ATOM 929 CD1 TYR A 59 -1.392 -8.909 3.299 1.00 12.14 C ATOM 930 CD2 TYR A 59 0.162 -7.976 1.746 1.00 1.22 C ATOM 931 CE1 TYR A 59 -1.671 -9.927 2.407 1.00 73.22 C ATOM 932 CE2 TYR A 59 -0.111 -8.992 0.855 1.00 12.42 C ATOM 933 CZ TYR A 59 -1.031 -9.962 1.184 1.00 42.51 C ATOM 934 OH TYR A 59 -1.298 -10.979 0.293 1.00 5.14 O ATOM 0 H TYR A 59 0.789 -5.135 5.534 1.00 4.53 H new ATOM 0 HA TYR A 59 0.484 -7.907 5.717 1.00 14.14 H new ATOM 0 HB2 TYR A 59 -1.073 -6.510 4.478 1.00 3.42 H new ATOM 0 HB3 TYR A 59 0.194 -5.931 3.415 1.00 3.42 H new ATOM 0 HD1 TYR A 59 -1.899 -8.883 4.252 1.00 12.14 H new ATOM 0 HD2 TYR A 59 0.877 -7.212 1.477 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -2.387 -10.693 2.666 1.00 73.22 H new ATOM 0 HE2 TYR A 59 0.395 -9.027 -0.098 1.00 12.42 H new ATOM 0 HH TYR A 59 -0.764 -10.852 -0.518 1.00 5.14 H new ATOM 944 N GLN A 60 2.798 -7.033 3.503 1.00 51.02 N ATOM 945 CA GLN A 60 3.921 -7.529 2.698 1.00 45.44 C ATOM 946 C GLN A 60 5.020 -8.153 3.589 1.00 52.24 C ATOM 947 O GLN A 60 5.705 -9.092 3.187 1.00 74.34 O ATOM 948 CB GLN A 60 4.486 -6.368 1.854 1.00 52.53 C ATOM 949 CG GLN A 60 5.251 -6.785 0.592 1.00 32.32 C ATOM 950 CD GLN A 60 6.622 -7.382 0.865 1.00 55.33 C ATOM 951 OE1 GLN A 60 7.097 -8.229 0.121 1.00 20.54 O ATOM 952 NE2 GLN A 60 7.288 -6.924 1.909 1.00 4.40 N ATOM 0 H GLN A 60 2.590 -6.044 3.362 1.00 51.02 H new ATOM 0 HA GLN A 60 3.563 -8.317 2.036 1.00 45.44 H new ATOM 0 HB2 GLN A 60 3.661 -5.719 1.561 1.00 52.53 H new ATOM 0 HB3 GLN A 60 5.150 -5.774 2.482 1.00 52.53 H new ATOM 0 HG2 GLN A 60 4.653 -7.512 0.042 1.00 32.32 H new ATOM 0 HG3 GLN A 60 5.368 -5.914 -0.053 1.00 32.32 H new ATOM 0 HE21 GLN A 60 6.867 -6.217 2.512 1.00 4.40 H new ATOM 0 HE22 GLN A 60 8.223 -7.277 2.112 1.00 4.40 H new ATOM 961 N ASP A 61 5.166 -7.631 4.804 1.00 11.33 N ATOM 962 CA ASP A 61 6.173 -8.129 5.746 1.00 11.33 C ATOM 963 C ASP A 61 5.715 -9.425 6.445 1.00 45.22 C ATOM 964 O ASP A 61 6.474 -10.395 6.542 1.00 24.01 O ATOM 965 CB ASP A 61 6.479 -7.045 6.788 1.00 10.31 C ATOM 966 CG ASP A 61 7.668 -7.394 7.666 1.00 34.21 C ATOM 967 OD1 ASP A 61 8.810 -7.057 7.289 1.00 2.21 O ATOM 968 OD2 ASP A 61 7.467 -8.001 8.738 1.00 31.42 O ATOM 0 H ASP A 61 4.600 -6.862 5.163 1.00 11.33 H new ATOM 0 HA ASP A 61 7.075 -8.366 5.182 1.00 11.33 H new ATOM 0 HB2 ASP A 61 6.674 -6.102 6.278 1.00 10.31 H new ATOM 0 HB3 ASP A 61 5.601 -6.893 7.416 1.00 10.31 H new ATOM 973 N GLN A 62 4.467 -9.444 6.917 1.00 54.45 N ATOM 974 CA GLN A 62 3.946 -10.573 7.704 1.00 70.41 C ATOM 975 C GLN A 62 3.738 -11.840 6.850 1.00 12.21 C ATOM 976 O GLN A 62 3.893 -12.959 7.345 1.00 11.42 O ATOM 977 CB GLN A 62 2.629 -10.184 8.394 1.00 22.03 C ATOM 978 CG GLN A 62 1.477 -9.900 7.430 1.00 12.44 C ATOM 979 CD GLN A 62 0.231 -9.364 8.113 1.00 50.11 C ATOM 980 OE1 GLN A 62 -0.885 -9.611 7.676 1.00 54.11 O ATOM 981 NE2 GLN A 62 0.408 -8.605 9.177 1.00 31.51 N ATOM 0 H GLN A 62 3.795 -8.691 6.770 1.00 54.45 H new ATOM 0 HA GLN A 62 4.698 -10.807 8.458 1.00 70.41 H new ATOM 0 HB2 GLN A 62 2.334 -10.988 9.068 1.00 22.03 H new ATOM 0 HB3 GLN A 62 2.801 -9.300 9.008 1.00 22.03 H new ATOM 0 HG2 GLN A 62 1.809 -9.180 6.682 1.00 12.44 H new ATOM 0 HG3 GLN A 62 1.224 -10.818 6.899 1.00 12.44 H new ATOM 0 HE21 GLN A 62 1.351 -8.417 9.518 1.00 31.51 H new ATOM 0 HE22 GLN A 62 -0.398 -8.206 9.659 1.00 31.51 H new ATOM 990 N ILE A 63 3.396 -11.668 5.570 1.00 13.25 N ATOM 991 CA ILE A 63 3.167 -12.812 4.670 1.00 4.20 C ATOM 992 C ILE A 63 4.452 -13.621 4.431 1.00 30.44 C ATOM 993 O ILE A 63 4.395 -14.772 3.999 1.00 43.43 O ATOM 994 CB ILE A 63 2.597 -12.362 3.299 1.00 30.21 C ATOM 995 CG1 ILE A 63 3.598 -11.456 2.562 1.00 51.32 C ATOM 996 CG2 ILE A 63 1.263 -11.650 3.488 1.00 11.33 C ATOM 997 CD1 ILE A 63 3.129 -11.007 1.192 1.00 75.14 C ATOM 0 H ILE A 63 3.271 -10.755 5.132 1.00 13.25 H new ATOM 0 HA ILE A 63 2.436 -13.445 5.172 1.00 4.20 H new ATOM 0 HB ILE A 63 2.432 -13.249 2.687 1.00 30.21 H new ATOM 0 HG12 ILE A 63 3.795 -10.576 3.174 1.00 51.32 H new ATOM 0 HG13 ILE A 63 4.543 -11.988 2.455 1.00 51.32 H new ATOM 0 HG21 ILE A 63 0.875 -11.340 2.518 1.00 11.33 H new ATOM 0 HG22 ILE A 63 0.553 -12.327 3.963 1.00 11.33 H new ATOM 0 HG23 ILE A 63 1.405 -10.773 4.119 1.00 11.33 H new ATOM 0 HD11 ILE A 63 3.889 -10.372 0.737 1.00 75.14 H new ATOM 0 HD12 ILE A 63 2.960 -11.880 0.561 1.00 75.14 H new ATOM 0 HD13 ILE A 63 2.200 -10.446 1.291 1.00 75.14 H new ATOM 1009 N SER A 64 5.600 -13.003 4.728 1.00 40.12 N ATOM 1010 CA SER A 64 6.923 -13.620 4.524 1.00 14.54 C ATOM 1011 C SER A 64 7.293 -13.673 3.031 1.00 52.41 C ATOM 1012 O SER A 64 7.053 -14.672 2.350 1.00 34.32 O ATOM 1013 CB SER A 64 6.994 -15.024 5.146 1.00 74.50 C ATOM 1014 OG SER A 64 8.291 -15.587 5.011 1.00 24.20 O ATOM 0 H SER A 64 5.642 -12.061 5.117 1.00 40.12 H new ATOM 0 HA SER A 64 7.652 -12.989 5.033 1.00 14.54 H new ATOM 0 HB2 SER A 64 6.728 -14.970 6.202 1.00 74.50 H new ATOM 0 HB3 SER A 64 6.262 -15.674 4.666 1.00 74.50 H new ATOM 0 HG SER A 64 8.219 -16.486 4.627 1.00 24.20 H new ATOM 1020 N PRO A 65 7.873 -12.578 2.501 1.00 15.12 N ATOM 1021 CA PRO A 65 8.221 -12.467 1.074 1.00 30.32 C ATOM 1022 C PRO A 65 9.536 -13.173 0.698 1.00 72.13 C ATOM 1023 O PRO A 65 10.170 -13.834 1.526 1.00 22.44 O ATOM 1024 CB PRO A 65 8.351 -10.953 0.888 1.00 55.15 C ATOM 1025 CG PRO A 65 8.857 -10.461 2.203 1.00 62.15 C ATOM 1026 CD PRO A 65 8.227 -11.350 3.249 1.00 4.10 C ATOM 0 HA PRO A 65 7.478 -12.948 0.437 1.00 30.32 H new ATOM 0 HB2 PRO A 65 9.041 -10.709 0.080 1.00 55.15 H new ATOM 0 HB3 PRO A 65 7.392 -10.500 0.636 1.00 55.15 H new ATOM 0 HG2 PRO A 65 9.945 -10.516 2.248 1.00 62.15 H new ATOM 0 HG3 PRO A 65 8.583 -9.418 2.361 1.00 62.15 H new ATOM 0 HD2 PRO A 65 8.920 -11.563 4.063 1.00 4.10 H new ATOM 0 HD3 PRO A 65 7.347 -10.884 3.693 1.00 4.10 H new ATOM 1034 N VAL A 66 9.937 -13.027 -0.565 1.00 42.21 N ATOM 1035 CA VAL A 66 11.194 -13.602 -1.058 1.00 23.21 C ATOM 1036 C VAL A 66 12.369 -12.615 -0.906 1.00 1.54 C ATOM 1037 O VAL A 66 12.327 -11.499 -1.429 1.00 24.21 O ATOM 1038 CB VAL A 66 11.071 -14.038 -2.545 1.00 64.21 C ATOM 1039 CG1 VAL A 66 10.114 -15.219 -2.687 1.00 52.34 C ATOM 1040 CG2 VAL A 66 10.622 -12.873 -3.432 1.00 14.31 C ATOM 0 H VAL A 66 9.408 -12.513 -1.270 1.00 42.21 H new ATOM 0 HA VAL A 66 11.397 -14.481 -0.447 1.00 23.21 H new ATOM 0 HB VAL A 66 12.060 -14.353 -2.879 1.00 64.21 H new ATOM 0 HG11 VAL A 66 10.044 -15.506 -3.736 1.00 52.34 H new ATOM 0 HG12 VAL A 66 10.487 -16.061 -2.104 1.00 52.34 H new ATOM 0 HG13 VAL A 66 9.127 -14.934 -2.322 1.00 52.34 H new ATOM 0 HG21 VAL A 66 10.546 -13.211 -4.465 1.00 14.31 H new ATOM 0 HG22 VAL A 66 9.650 -12.513 -3.095 1.00 14.31 H new ATOM 0 HG23 VAL A 66 11.350 -12.065 -3.367 1.00 14.31 H new ATOM 1050 N PRO A 67 13.437 -13.005 -0.176 1.00 53.31 N ATOM 1051 CA PRO A 67 14.639 -12.165 -0.017 1.00 12.52 C ATOM 1052 C PRO A 67 15.475 -12.109 -1.310 1.00 23.20 C ATOM 1053 O PRO A 67 16.608 -12.593 -1.356 1.00 40.11 O ATOM 1054 CB PRO A 67 15.427 -12.860 1.118 1.00 50.12 C ATOM 1055 CG PRO A 67 14.503 -13.898 1.676 1.00 22.31 C ATOM 1056 CD PRO A 67 13.564 -14.268 0.560 1.00 64.12 C ATOM 0 HA PRO A 67 14.389 -11.128 0.208 1.00 12.52 H new ATOM 0 HB2 PRO A 67 16.342 -13.314 0.738 1.00 50.12 H new ATOM 0 HB3 PRO A 67 15.721 -12.144 1.886 1.00 50.12 H new ATOM 0 HG2 PRO A 67 15.060 -14.769 2.021 1.00 22.31 H new ATOM 0 HG3 PRO A 67 13.954 -13.510 2.534 1.00 22.31 H new ATOM 0 HD2 PRO A 67 13.969 -15.064 -0.065 1.00 64.12 H new ATOM 0 HD3 PRO A 67 12.603 -14.617 0.937 1.00 64.12 H new ATOM 1064 N GLY A 68 14.901 -11.524 -2.361 1.00 33.31 N ATOM 1065 CA GLY A 68 15.562 -11.483 -3.664 1.00 13.52 C ATOM 1066 C GLY A 68 15.413 -12.790 -4.439 1.00 3.31 C ATOM 1067 O GLY A 68 14.911 -12.806 -5.564 1.00 50.40 O ATOM 0 H GLY A 68 13.986 -11.075 -2.336 1.00 33.31 H new ATOM 0 HA2 GLY A 68 15.145 -10.666 -4.253 1.00 13.52 H new ATOM 0 HA3 GLY A 68 16.621 -11.267 -3.523 1.00 13.52 H new ATOM 1071 N ALA A 69 15.857 -13.886 -3.832 1.00 11.42 N ATOM 1072 CA ALA A 69 15.736 -15.218 -4.434 1.00 43.15 C ATOM 1073 C ALA A 69 14.384 -15.870 -4.086 1.00 43.10 C ATOM 1074 O ALA A 69 13.826 -15.617 -3.015 1.00 62.11 O ATOM 1075 CB ALA A 69 16.887 -16.100 -3.968 1.00 13.34 C ATOM 0 H ALA A 69 16.308 -13.882 -2.917 1.00 11.42 H new ATOM 0 HA ALA A 69 15.781 -15.110 -5.518 1.00 43.15 H new ATOM 0 HB1 ALA A 69 16.793 -17.088 -4.418 1.00 13.34 H new ATOM 0 HB2 ALA A 69 17.834 -15.652 -4.270 1.00 13.34 H new ATOM 0 HB3 ALA A 69 16.859 -16.191 -2.882 1.00 13.34 H new ATOM 1081 N PRO A 70 13.839 -16.722 -4.983 1.00 65.14 N ATOM 1082 CA PRO A 70 12.543 -17.391 -4.752 1.00 33.31 C ATOM 1083 C PRO A 70 12.571 -18.350 -3.544 1.00 22.31 C ATOM 1084 O PRO A 70 12.853 -19.543 -3.681 1.00 23.42 O ATOM 1085 CB PRO A 70 12.292 -18.160 -6.063 1.00 64.41 C ATOM 1086 CG PRO A 70 13.645 -18.326 -6.672 1.00 1.10 C ATOM 1087 CD PRO A 70 14.426 -17.097 -6.287 1.00 52.53 C ATOM 0 HA PRO A 70 11.757 -16.675 -4.511 1.00 33.31 H new ATOM 0 HB2 PRO A 70 11.823 -19.125 -5.872 1.00 64.41 H new ATOM 0 HB3 PRO A 70 11.625 -17.607 -6.725 1.00 64.41 H new ATOM 0 HG2 PRO A 70 14.131 -19.229 -6.303 1.00 1.10 H new ATOM 0 HG3 PRO A 70 13.576 -18.421 -7.756 1.00 1.10 H new ATOM 0 HD2 PRO A 70 15.492 -17.307 -6.204 1.00 52.53 H new ATOM 0 HD3 PRO A 70 14.314 -16.301 -7.023 1.00 52.53 H new ATOM 1095 N LYS A 71 12.299 -17.807 -2.356 1.00 1.24 N ATOM 1096 CA LYS A 71 12.299 -18.590 -1.112 1.00 53.43 C ATOM 1097 C LYS A 71 11.212 -19.680 -1.119 1.00 44.45 C ATOM 1098 O LYS A 71 11.515 -20.869 -1.001 1.00 54.43 O ATOM 1099 CB LYS A 71 12.101 -17.662 0.097 1.00 51.35 C ATOM 1100 CG LYS A 71 12.107 -18.385 1.442 1.00 40.01 C ATOM 1101 CD LYS A 71 11.956 -17.414 2.616 1.00 42.24 C ATOM 1102 CE LYS A 71 10.603 -16.708 2.607 1.00 23.32 C ATOM 1103 NZ LYS A 71 10.487 -15.722 3.714 1.00 4.14 N ATOM 0 H LYS A 71 12.074 -16.821 -2.226 1.00 1.24 H new ATOM 0 HA LYS A 71 13.267 -19.086 -1.038 1.00 53.43 H new ATOM 0 HB2 LYS A 71 12.889 -16.909 0.097 1.00 51.35 H new ATOM 0 HB3 LYS A 71 11.155 -17.133 -0.015 1.00 51.35 H new ATOM 0 HG2 LYS A 71 11.295 -19.112 1.466 1.00 40.01 H new ATOM 0 HG3 LYS A 71 13.038 -18.942 1.550 1.00 40.01 H new ATOM 0 HD2 LYS A 71 12.074 -17.958 3.553 1.00 42.24 H new ATOM 0 HD3 LYS A 71 12.752 -16.671 2.576 1.00 42.24 H new ATOM 0 HE2 LYS A 71 10.464 -16.201 1.652 1.00 23.32 H new ATOM 0 HE3 LYS A 71 9.807 -17.447 2.694 1.00 23.32 H new ATOM 0 HZ1 LYS A 71 9.488 -15.618 3.983 1.00 4.14 H new ATOM 0 HZ2 LYS A 71 11.033 -16.055 4.534 1.00 4.14 H new ATOM 0 HZ3 LYS A 71 10.859 -14.803 3.401 1.00 4.14 H new ATOM 1117 N ALA A 72 9.956 -19.259 -1.257 1.00 34.35 N ATOM 1118 CA ALA A 72 8.805 -20.175 -1.247 1.00 33.30 C ATOM 1119 C ALA A 72 7.488 -19.403 -1.435 1.00 71.24 C ATOM 1120 O ALA A 72 7.365 -18.265 -0.976 1.00 2.55 O ATOM 1121 CB ALA A 72 8.762 -20.972 0.059 1.00 15.23 C ATOM 0 H ALA A 72 9.703 -18.278 -1.379 1.00 34.35 H new ATOM 0 HA ALA A 72 8.922 -20.869 -2.079 1.00 33.30 H new ATOM 0 HB1 ALA A 72 7.904 -21.644 0.047 1.00 15.23 H new ATOM 0 HB2 ALA A 72 9.678 -21.555 0.160 1.00 15.23 H new ATOM 0 HB3 ALA A 72 8.674 -20.286 0.901 1.00 15.23 H new ATOM 1127 N PRO A 73 6.485 -20.001 -2.117 1.00 62.04 N ATOM 1128 CA PRO A 73 5.158 -19.375 -2.282 1.00 72.12 C ATOM 1129 C PRO A 73 4.456 -19.148 -0.930 1.00 54.41 C ATOM 1130 O PRO A 73 3.992 -20.093 -0.290 1.00 13.52 O ATOM 1131 CB PRO A 73 4.382 -20.384 -3.147 1.00 1.15 C ATOM 1132 CG PRO A 73 5.109 -21.678 -2.983 1.00 61.24 C ATOM 1133 CD PRO A 73 6.558 -21.316 -2.782 1.00 14.24 C ATOM 0 HA PRO A 73 5.223 -18.386 -2.736 1.00 72.12 H new ATOM 0 HB2 PRO A 73 3.346 -20.470 -2.819 1.00 1.15 H new ATOM 0 HB3 PRO A 73 4.361 -20.073 -4.192 1.00 1.15 H new ATOM 0 HG2 PRO A 73 4.724 -22.237 -2.130 1.00 61.24 H new ATOM 0 HG3 PRO A 73 4.983 -22.311 -3.861 1.00 61.24 H new ATOM 0 HD2 PRO A 73 7.075 -22.051 -2.166 1.00 14.24 H new ATOM 0 HD3 PRO A 73 7.095 -21.260 -3.729 1.00 14.24 H new ATOM 1141 N ALA A 74 4.393 -17.890 -0.498 1.00 43.43 N ATOM 1142 CA ALA A 74 3.870 -17.545 0.831 1.00 31.50 C ATOM 1143 C ALA A 74 2.377 -17.179 0.807 1.00 52.01 C ATOM 1144 O ALA A 74 1.740 -17.186 -0.249 1.00 43.22 O ATOM 1145 CB ALA A 74 4.683 -16.397 1.412 1.00 2.44 C ATOM 0 H ALA A 74 4.698 -17.087 -1.048 1.00 43.43 H new ATOM 0 HA ALA A 74 3.965 -18.430 1.460 1.00 31.50 H new ATOM 0 HB1 ALA A 74 4.296 -16.140 2.398 1.00 2.44 H new ATOM 0 HB2 ALA A 74 5.727 -16.698 1.499 1.00 2.44 H new ATOM 0 HB3 ALA A 74 4.609 -15.530 0.756 1.00 2.44 H new ATOM 1151 N ALA A 75 1.843 -16.848 1.990 1.00 52.33 N ATOM 1152 CA ALA A 75 0.415 -16.521 2.175 1.00 64.11 C ATOM 1153 C ALA A 75 -0.489 -17.758 1.969 1.00 61.24 C ATOM 1154 O ALA A 75 -0.495 -18.638 2.862 1.00 35.25 O ATOM 1155 CB ALA A 75 -0.004 -15.363 1.264 1.00 52.31 C ATOM 1156 OXT ALA A 75 -1.185 -17.850 0.931 1.00 35.25 O ATOM 0 H ALA A 75 2.387 -16.798 2.851 1.00 52.33 H new ATOM 0 HA ALA A 75 0.283 -16.199 3.208 1.00 64.11 H new ATOM 0 HB1 ALA A 75 -1.060 -15.142 1.419 1.00 52.31 H new ATOM 0 HB2 ALA A 75 0.590 -14.481 1.501 1.00 52.31 H new ATOM 0 HB3 ALA A 75 0.159 -15.642 0.223 1.00 52.31 H new TER 1162 ALA A 75