USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 727 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 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -6.37! C(o=-6.4!,f=-16!) USER MOD Set 2.1: A 33 CYS SG : rot 29:sc= 0.119 USER MOD Set 2.2: A 83 CYS SG : rot -166:sc= 0.0792 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.0561 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0343) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -8.57! C(o=-8.6!,f=-8.8!) USER MOD Single : A 18 HIS : no HD1:sc= -3.01! C(o=-3!,f=-5.4!) USER MOD Single : A 22 GLN : amide:sc=-1.74e-05 X(o=-1.7e-05,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.419 USER MOD Single : A 30 THR OG1 : rot -23:sc= 0.516 USER MOD Single : A 32 SER OG : rot 180:sc= -1.09 USER MOD Single : A 37 GLN :FLIP amide:sc= 1.16 F(o=-0.17,f=1.2) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.722 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0946 USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 0.267 (180deg=-0.0719) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 1.3 (180deg=0.556) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.149) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 43:sc= 1.11 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= -0.326 (180deg=-1.39) USER MOD Single : A 64 CYS SG : rot 46:sc= 0.0393 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.57) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.57) USER MOD Single : A 81 TYR OH : rot -17:sc= -0.255 USER MOD Single : A 88 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.4) USER MOD Single : A 91 SER OG : rot 75:sc= 0.136 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.212 36.896 7.546 1.00 0.00 N ATOM 2 CA GLY A 1 -1.092 36.175 8.120 1.00 0.00 C ATOM 3 C GLY A 1 -0.894 34.811 7.488 1.00 0.00 C ATOM 4 O GLY A 1 -0.975 34.667 6.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.305 37.821 8.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.050 37.036 6.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.085 36.349 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.183 36.764 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.252 36.056 9.192 1.00 0.00 H new ATOM 8 N SER A 2 -0.634 33.807 8.320 1.00 0.00 N ATOM 9 CA SER A 2 -0.419 32.449 7.835 1.00 0.00 C ATOM 10 C SER A 2 0.872 32.359 7.027 1.00 0.00 C ATOM 11 O SER A 2 0.895 31.796 5.933 1.00 0.00 O ATOM 12 CB SER A 2 -1.603 31.998 6.977 1.00 0.00 C ATOM 13 OG SER A 2 -1.704 30.585 6.951 1.00 0.00 O ATOM 0 H SER A 2 -0.567 33.909 9.333 1.00 0.00 H new ATOM 0 HA SER A 2 -0.333 31.790 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.525 32.425 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.485 32.376 5.962 1.00 0.00 H new ATOM 0 HG SER A 2 -2.469 30.322 6.398 1.00 0.00 H new ATOM 19 N SER A 3 1.946 32.918 7.576 1.00 0.00 N ATOM 20 CA SER A 3 3.242 32.905 6.906 1.00 0.00 C ATOM 21 C SER A 3 3.782 31.482 6.796 1.00 0.00 C ATOM 22 O SER A 3 4.382 30.959 7.734 1.00 0.00 O ATOM 23 CB SER A 3 4.240 33.784 7.662 1.00 0.00 C ATOM 24 OG SER A 3 5.256 34.260 6.797 1.00 0.00 O ATOM 0 H SER A 3 1.945 33.385 8.483 1.00 0.00 H new ATOM 0 HA SER A 3 3.107 33.303 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.718 34.627 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.688 33.214 8.476 1.00 0.00 H new ATOM 0 HG SER A 3 5.880 34.821 7.303 1.00 0.00 H new ATOM 30 N GLY A 4 3.563 30.860 5.641 1.00 0.00 N ATOM 31 CA GLY A 4 4.034 29.504 5.428 1.00 0.00 C ATOM 32 C GLY A 4 2.956 28.598 4.866 1.00 0.00 C ATOM 33 O GLY A 4 2.418 28.856 3.789 1.00 0.00 O ATOM 0 H GLY A 4 3.068 31.271 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.883 29.521 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.393 29.095 6.372 1.00 0.00 H new ATOM 37 N SER A 5 2.641 27.533 5.596 1.00 0.00 N ATOM 38 CA SER A 5 1.624 26.582 5.161 1.00 0.00 C ATOM 39 C SER A 5 2.022 25.926 3.843 1.00 0.00 C ATOM 40 O SER A 5 1.189 25.734 2.956 1.00 0.00 O ATOM 41 CB SER A 5 0.273 27.283 5.008 1.00 0.00 C ATOM 42 OG SER A 5 -0.790 26.346 5.007 1.00 0.00 O ATOM 0 H SER A 5 3.075 27.307 6.491 1.00 0.00 H new ATOM 0 HA SER A 5 1.538 25.806 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.134 27.994 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.259 27.854 4.080 1.00 0.00 H new ATOM 0 HG SER A 5 -0.637 25.679 4.306 1.00 0.00 H new ATOM 48 N SER A 6 3.301 25.585 3.721 1.00 0.00 N ATOM 49 CA SER A 6 3.811 24.954 2.509 1.00 0.00 C ATOM 50 C SER A 6 3.541 23.453 2.523 1.00 0.00 C ATOM 51 O SER A 6 3.013 22.897 1.561 1.00 0.00 O ATOM 52 CB SER A 6 5.313 25.212 2.369 1.00 0.00 C ATOM 53 OG SER A 6 5.774 24.851 1.078 1.00 0.00 O ATOM 0 H SER A 6 4.003 25.735 4.446 1.00 0.00 H new ATOM 0 HA SER A 6 3.293 25.391 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.523 26.266 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.855 24.643 3.124 1.00 0.00 H new ATOM 0 HG SER A 6 6.736 25.027 1.013 1.00 0.00 H new ATOM 59 N GLY A 7 3.906 22.802 3.624 1.00 0.00 N ATOM 60 CA GLY A 7 3.696 21.371 3.744 1.00 0.00 C ATOM 61 C GLY A 7 4.997 20.597 3.814 1.00 0.00 C ATOM 62 O GLY A 7 5.932 20.869 3.059 1.00 0.00 O ATOM 0 H GLY A 7 4.343 23.240 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.107 21.167 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.114 21.020 2.892 1.00 0.00 H new ATOM 66 N LYS A 8 5.061 19.631 4.723 1.00 0.00 N ATOM 67 CA LYS A 8 6.258 18.815 4.891 1.00 0.00 C ATOM 68 C LYS A 8 6.208 17.585 3.989 1.00 0.00 C ATOM 69 O LYS A 8 5.277 16.784 4.066 1.00 0.00 O ATOM 70 CB LYS A 8 6.405 18.383 6.351 1.00 0.00 C ATOM 71 CG LYS A 8 7.816 17.956 6.720 1.00 0.00 C ATOM 72 CD LYS A 8 8.152 16.589 6.147 1.00 0.00 C ATOM 73 CE LYS A 8 9.374 15.987 6.823 1.00 0.00 C ATOM 74 NZ LYS A 8 9.058 15.470 8.183 1.00 0.00 N ATOM 0 H LYS A 8 4.297 19.393 5.356 1.00 0.00 H new ATOM 0 HA LYS A 8 7.121 19.418 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.103 19.207 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.721 17.557 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.529 18.692 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.918 17.932 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.300 15.921 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.334 16.677 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.766 15.177 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.158 16.741 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.865 14.920 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.871 16.268 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.217 14.860 8.136 1.00 0.00 H new ATOM 88 N VAL A 9 7.217 17.442 3.135 1.00 0.00 N ATOM 89 CA VAL A 9 7.290 16.309 2.221 1.00 0.00 C ATOM 90 C VAL A 9 7.919 15.096 2.898 1.00 0.00 C ATOM 91 O VAL A 9 8.984 15.195 3.508 1.00 0.00 O ATOM 92 CB VAL A 9 8.100 16.657 0.959 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.192 15.453 0.034 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.481 17.846 0.240 1.00 0.00 C ATOM 0 H VAL A 9 7.995 18.097 3.057 1.00 0.00 H new ATOM 0 HA VAL A 9 6.267 16.070 1.932 1.00 0.00 H new ATOM 0 HB VAL A 9 9.111 16.930 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.768 15.718 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.684 14.631 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.190 15.145 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.066 18.078 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.459 17.603 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.473 18.710 0.905 1.00 0.00 H new ATOM 104 N VAL A 10 7.254 13.951 2.785 1.00 0.00 N ATOM 105 CA VAL A 10 7.749 12.717 3.384 1.00 0.00 C ATOM 106 C VAL A 10 8.308 11.776 2.323 1.00 0.00 C ATOM 107 O VAL A 10 9.263 11.040 2.571 1.00 0.00 O ATOM 108 CB VAL A 10 6.640 11.989 4.167 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.222 10.836 4.970 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.903 12.962 5.074 1.00 0.00 C ATOM 0 H VAL A 10 6.371 13.852 2.284 1.00 0.00 H new ATOM 0 HA VAL A 10 8.546 12.997 4.073 1.00 0.00 H new ATOM 0 HB VAL A 10 5.925 11.579 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.424 10.334 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.701 10.127 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.959 11.219 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.123 12.431 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.605 13.403 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.452 13.750 4.472 1.00 0.00 H new ATOM 120 N PHE A 11 7.708 11.806 1.138 1.00 0.00 N ATOM 121 CA PHE A 11 8.145 10.955 0.037 1.00 0.00 C ATOM 122 C PHE A 11 8.765 11.788 -1.081 1.00 0.00 C ATOM 123 O PHE A 11 8.630 13.011 -1.106 1.00 0.00 O ATOM 124 CB PHE A 11 6.967 10.145 -0.509 1.00 0.00 C ATOM 125 CG PHE A 11 6.348 9.229 0.508 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.885 7.975 0.748 1.00 0.00 C ATOM 127 CD2 PHE A 11 5.227 9.622 1.222 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.318 7.130 1.683 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.656 8.781 2.158 1.00 0.00 C ATOM 130 CZ PHE A 11 5.201 7.533 2.388 1.00 0.00 C ATOM 0 H PHE A 11 6.917 12.411 0.915 1.00 0.00 H new ATOM 0 HA PHE A 11 8.902 10.270 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.205 10.831 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.306 9.554 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.757 7.654 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.795 10.596 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.748 6.156 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.784 9.100 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.755 6.874 3.118 1.00 0.00 H new ATOM 140 N ALA A 12 9.446 11.116 -2.003 1.00 0.00 N ATOM 141 CA ALA A 12 10.086 11.793 -3.125 1.00 0.00 C ATOM 142 C ALA A 12 9.086 12.651 -3.891 1.00 0.00 C ATOM 143 O ALA A 12 7.911 12.725 -3.531 1.00 0.00 O ATOM 144 CB ALA A 12 10.734 10.777 -4.054 1.00 0.00 C ATOM 0 H ALA A 12 9.569 10.103 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 12 10.859 12.451 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.208 11.296 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.486 10.210 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.973 10.096 -4.436 1.00 0.00 H new ATOM 150 N LYS A 13 9.559 13.300 -4.950 1.00 0.00 N ATOM 151 CA LYS A 13 8.707 14.154 -5.769 1.00 0.00 C ATOM 152 C LYS A 13 8.311 13.448 -7.062 1.00 0.00 C ATOM 153 O LYS A 13 7.203 13.631 -7.564 1.00 0.00 O ATOM 154 CB LYS A 13 9.424 15.467 -6.091 1.00 0.00 C ATOM 155 CG LYS A 13 10.728 15.278 -6.847 1.00 0.00 C ATOM 156 CD LYS A 13 11.732 16.366 -6.507 1.00 0.00 C ATOM 157 CE LYS A 13 12.750 16.553 -7.622 1.00 0.00 C ATOM 158 NZ LYS A 13 13.542 17.802 -7.446 1.00 0.00 N ATOM 0 H LYS A 13 10.529 13.250 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 13 7.802 14.371 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.760 16.099 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.627 15.998 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.151 14.303 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.532 15.284 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.207 17.305 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.248 16.111 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.423 15.696 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.236 16.581 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.224 17.893 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.902 18.622 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.053 17.764 -6.541 1.00 0.00 H new ATOM 172 N GLU A 14 9.223 12.640 -7.593 1.00 0.00 N ATOM 173 CA GLU A 14 8.967 11.907 -8.827 1.00 0.00 C ATOM 174 C GLU A 14 8.296 10.568 -8.535 1.00 0.00 C ATOM 175 O GLU A 14 8.732 9.525 -9.022 1.00 0.00 O ATOM 176 CB GLU A 14 10.273 11.679 -9.591 1.00 0.00 C ATOM 177 CG GLU A 14 11.447 11.319 -8.697 1.00 0.00 C ATOM 178 CD GLU A 14 12.672 10.894 -9.484 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.961 11.528 -10.520 1.00 0.00 O ATOM 180 OE2 GLU A 14 13.342 9.928 -9.062 1.00 0.00 O ATOM 0 H GLU A 14 10.145 12.477 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 14 8.294 12.505 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.124 10.881 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.518 12.581 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.700 12.176 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.153 10.512 -8.026 1.00 0.00 H new ATOM 187 N GLN A 15 7.235 10.606 -7.736 1.00 0.00 N ATOM 188 CA GLN A 15 6.505 9.396 -7.378 1.00 0.00 C ATOM 189 C GLN A 15 5.055 9.476 -7.846 1.00 0.00 C ATOM 190 O GLN A 15 4.405 10.518 -7.755 1.00 0.00 O ATOM 191 CB GLN A 15 6.553 9.175 -5.865 1.00 0.00 C ATOM 192 CG GLN A 15 7.928 9.406 -5.260 1.00 0.00 C ATOM 193 CD GLN A 15 8.156 8.592 -4.001 1.00 0.00 C ATOM 194 OE1 GLN A 15 7.229 8.349 -3.229 1.00 0.00 O ATOM 195 NE2 GLN A 15 9.395 8.165 -3.788 1.00 0.00 N ATOM 0 H GLN A 15 6.862 11.461 -7.324 1.00 0.00 H new ATOM 0 HA GLN A 15 6.983 8.553 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.837 9.843 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.235 8.156 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.692 9.152 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.046 10.465 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.134 8.390 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.608 7.612 -2.958 1.00 0.00 H new ATOM 204 N PRO A 16 4.536 8.351 -8.359 1.00 0.00 N ATOM 205 CA PRO A 16 3.157 8.269 -8.852 1.00 0.00 C ATOM 206 C PRO A 16 2.134 8.344 -7.724 1.00 0.00 C ATOM 207 O PRO A 16 2.161 7.539 -6.794 1.00 0.00 O ATOM 208 CB PRO A 16 3.105 6.899 -9.532 1.00 0.00 C ATOM 209 CG PRO A 16 4.165 6.099 -8.855 1.00 0.00 C ATOM 210 CD PRO A 16 5.253 7.073 -8.498 1.00 0.00 C ATOM 0 HA PRO A 16 2.910 9.098 -9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.125 6.436 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.294 6.981 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.774 5.607 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.543 5.316 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.756 6.792 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.017 7.123 -9.274 1.00 0.00 H new ATOM 218 N ALA A 17 1.231 9.315 -7.814 1.00 0.00 N ATOM 219 CA ALA A 17 0.197 9.493 -6.803 1.00 0.00 C ATOM 220 C ALA A 17 -0.498 8.172 -6.490 1.00 0.00 C ATOM 221 O ALA A 17 -1.027 7.981 -5.395 1.00 0.00 O ATOM 222 CB ALA A 17 -0.818 10.530 -7.262 1.00 0.00 C ATOM 0 H ALA A 17 1.195 9.991 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 17 0.674 9.848 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.584 10.652 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.315 11.483 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.282 10.198 -8.191 1.00 0.00 H new ATOM 228 N HIS A 18 -0.495 7.263 -7.460 1.00 0.00 N ATOM 229 CA HIS A 18 -1.126 5.959 -7.288 1.00 0.00 C ATOM 230 C HIS A 18 -0.680 4.992 -8.380 1.00 0.00 C ATOM 231 O HIS A 18 -0.814 5.279 -9.570 1.00 0.00 O ATOM 232 CB HIS A 18 -2.648 6.100 -7.306 1.00 0.00 C ATOM 233 CG HIS A 18 -3.357 4.878 -7.803 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.945 3.596 -7.506 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.457 4.747 -8.580 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.760 2.729 -8.081 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.687 3.402 -8.738 1.00 0.00 N ATOM 0 H HIS A 18 -0.063 7.405 -8.373 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.817 5.557 -6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.996 6.327 -6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.919 6.948 -7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.045 5.551 -8.998 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.681 1.653 -8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.450 2.990 -9.275 1.00 0.00 H new ATOM 246 N ARG A 19 -0.149 3.845 -7.967 1.00 0.00 N ATOM 247 CA ARG A 19 0.319 2.837 -8.910 1.00 0.00 C ATOM 248 C ARG A 19 -0.503 1.556 -8.789 1.00 0.00 C ATOM 249 O ARG A 19 -1.207 1.351 -7.801 1.00 0.00 O ATOM 250 CB ARG A 19 1.798 2.530 -8.671 1.00 0.00 C ATOM 251 CG ARG A 19 2.236 2.732 -7.229 1.00 0.00 C ATOM 252 CD ARG A 19 3.745 2.613 -7.083 1.00 0.00 C ATOM 253 NE ARG A 19 4.264 1.412 -7.732 1.00 0.00 N ATOM 254 CZ ARG A 19 5.543 1.242 -8.047 1.00 0.00 C ATOM 255 NH1 ARG A 19 6.429 2.191 -7.775 1.00 0.00 N ATOM 256 NH2 ARG A 19 5.939 0.120 -8.636 1.00 0.00 N ATOM 0 H ARG A 19 -0.033 3.591 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 19 0.196 3.234 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.998 1.499 -8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.402 3.166 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.912 3.714 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.748 1.993 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.222 3.493 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.007 2.595 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 19 3.609 0.663 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.129 3.054 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.411 2.057 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.261 -0.612 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.921 -0.010 -8.878 1.00 0.00 H new ATOM 270 N GLU A 20 -0.408 0.700 -9.802 1.00 0.00 N ATOM 271 CA GLU A 20 -1.144 -0.559 -9.808 1.00 0.00 C ATOM 272 C GLU A 20 -0.203 -1.738 -10.036 1.00 0.00 C ATOM 273 O GLU A 20 0.236 -1.989 -11.159 1.00 0.00 O ATOM 274 CB GLU A 20 -2.225 -0.538 -10.891 1.00 0.00 C ATOM 275 CG GLU A 20 -3.120 0.689 -10.834 1.00 0.00 C ATOM 276 CD GLU A 20 -3.685 1.062 -12.191 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.907 1.103 -13.167 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.905 1.313 -12.276 1.00 0.00 O ATOM 0 H GLU A 20 0.170 0.855 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.618 -0.678 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.748 -0.584 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.841 -1.432 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.941 0.504 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.552 1.530 -10.437 1.00 0.00 H new ATOM 285 N VAL A 21 0.104 -2.459 -8.962 1.00 0.00 N ATOM 286 CA VAL A 21 0.992 -3.612 -9.044 1.00 0.00 C ATOM 287 C VAL A 21 0.223 -4.873 -9.422 1.00 0.00 C ATOM 288 O VAL A 21 -0.964 -5.000 -9.123 1.00 0.00 O ATOM 289 CB VAL A 21 1.725 -3.852 -7.710 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.584 -5.104 -7.790 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.567 -2.640 -7.340 1.00 0.00 C ATOM 0 H VAL A 21 -0.249 -2.265 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 21 1.726 -3.391 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 21 0.981 -4.001 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.094 -5.257 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.952 -5.966 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.323 -4.988 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.078 -2.827 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.305 -2.457 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.923 -1.767 -7.238 1.00 0.00 H new ATOM 301 N GLN A 22 0.908 -5.802 -10.081 1.00 0.00 N ATOM 302 CA GLN A 22 0.288 -7.053 -10.501 1.00 0.00 C ATOM 303 C GLN A 22 0.916 -8.241 -9.779 1.00 0.00 C ATOM 304 O GLN A 22 2.016 -8.139 -9.236 1.00 0.00 O ATOM 305 CB GLN A 22 0.423 -7.232 -12.014 1.00 0.00 C ATOM 306 CG GLN A 22 1.780 -7.766 -12.445 1.00 0.00 C ATOM 307 CD GLN A 22 1.801 -8.202 -13.896 1.00 0.00 C ATOM 308 OE1 GLN A 22 2.487 -7.605 -14.726 1.00 0.00 O ATOM 309 NE2 GLN A 22 1.047 -9.249 -14.211 1.00 0.00 N ATOM 0 H GLN A 22 1.892 -5.712 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.770 -7.010 -10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.353 -7.914 -12.362 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.247 -6.273 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.535 -6.996 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.052 -8.611 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.494 -9.714 -13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.021 -9.588 -15.173 1.00 0.00 H new ATOM 318 N ALA A 23 0.210 -9.367 -9.776 1.00 0.00 N ATOM 319 CA ALA A 23 0.699 -10.574 -9.122 1.00 0.00 C ATOM 320 C ALA A 23 -0.174 -11.776 -9.464 1.00 0.00 C ATOM 321 O ALA A 23 -1.307 -11.622 -9.920 1.00 0.00 O ATOM 322 CB ALA A 23 0.756 -10.372 -7.615 1.00 0.00 C ATOM 0 H ALA A 23 -0.703 -9.468 -10.220 1.00 0.00 H new ATOM 0 HA ALA A 23 1.706 -10.773 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.123 -11.282 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.428 -9.545 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.242 -10.144 -7.240 1.00 0.00 H new ATOM 328 N GLU A 24 0.360 -12.973 -9.242 1.00 0.00 N ATOM 329 CA GLU A 24 -0.372 -14.201 -9.529 1.00 0.00 C ATOM 330 C GLU A 24 -0.879 -14.845 -8.242 1.00 0.00 C ATOM 331 O GLU A 24 -0.304 -14.654 -7.171 1.00 0.00 O ATOM 332 CB GLU A 24 0.519 -15.186 -10.289 1.00 0.00 C ATOM 333 CG GLU A 24 0.818 -14.759 -11.717 1.00 0.00 C ATOM 334 CD GLU A 24 1.073 -15.938 -12.636 1.00 0.00 C ATOM 335 OE1 GLU A 24 2.024 -16.702 -12.370 1.00 0.00 O ATOM 336 OE2 GLU A 24 0.322 -16.095 -13.622 1.00 0.00 O ATOM 0 H GLU A 24 1.296 -13.118 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.231 -13.946 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.459 -15.304 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.036 -16.163 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.020 -14.178 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.689 -14.104 -11.722 1.00 0.00 H new ATOM 343 N ALA A 25 -1.960 -15.610 -8.356 1.00 0.00 N ATOM 344 CA ALA A 25 -2.544 -16.284 -7.204 1.00 0.00 C ATOM 345 C ALA A 25 -1.527 -17.198 -6.529 1.00 0.00 C ATOM 346 O ALA A 25 -1.078 -18.183 -7.114 1.00 0.00 O ATOM 347 CB ALA A 25 -3.773 -17.077 -7.623 1.00 0.00 C ATOM 0 H ALA A 25 -2.449 -15.778 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.845 -15.523 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.199 -17.575 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.513 -16.402 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.489 -17.823 -8.365 1.00 0.00 H new ATOM 353 N GLY A 26 -1.167 -16.865 -5.293 1.00 0.00 N ATOM 354 CA GLY A 26 -0.204 -17.666 -4.559 1.00 0.00 C ATOM 355 C GLY A 26 1.194 -17.084 -4.611 1.00 0.00 C ATOM 356 O GLY A 26 2.062 -17.466 -3.827 1.00 0.00 O ATOM 0 H GLY A 26 -1.525 -16.055 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.522 -17.748 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.189 -18.676 -4.968 1.00 0.00 H new ATOM 360 N ALA A 27 1.413 -16.157 -5.538 1.00 0.00 N ATOM 361 CA ALA A 27 2.716 -15.521 -5.689 1.00 0.00 C ATOM 362 C ALA A 27 2.999 -14.568 -4.533 1.00 0.00 C ATOM 363 O ALA A 27 2.219 -14.479 -3.584 1.00 0.00 O ATOM 364 CB ALA A 27 2.792 -14.781 -7.016 1.00 0.00 C ATOM 0 H ALA A 27 0.705 -15.830 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 27 3.477 -16.301 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.770 -14.311 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.643 -15.485 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.017 -14.016 -7.051 1.00 0.00 H new ATOM 370 N SER A 28 4.118 -13.857 -4.618 1.00 0.00 N ATOM 371 CA SER A 28 4.506 -12.913 -3.576 1.00 0.00 C ATOM 372 C SER A 28 4.697 -11.514 -4.154 1.00 0.00 C ATOM 373 O SER A 28 5.685 -11.241 -4.835 1.00 0.00 O ATOM 374 CB SER A 28 5.795 -13.375 -2.894 1.00 0.00 C ATOM 375 OG SER A 28 5.943 -12.770 -1.621 1.00 0.00 O ATOM 0 H SER A 28 4.773 -13.916 -5.398 1.00 0.00 H new ATOM 0 HA SER A 28 3.705 -12.876 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.784 -14.460 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.651 -13.126 -3.521 1.00 0.00 H new ATOM 0 HG SER A 28 6.773 -13.083 -1.205 1.00 0.00 H new ATOM 381 N ALA A 29 3.742 -10.631 -3.878 1.00 0.00 N ATOM 382 CA ALA A 29 3.805 -9.260 -4.369 1.00 0.00 C ATOM 383 C ALA A 29 4.915 -8.479 -3.674 1.00 0.00 C ATOM 384 O ALA A 29 5.550 -8.976 -2.743 1.00 0.00 O ATOM 385 CB ALA A 29 2.465 -8.567 -4.170 1.00 0.00 C ATOM 0 H ALA A 29 2.916 -10.841 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 29 4.031 -9.291 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.526 -7.544 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.692 -9.106 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.216 -8.554 -3.109 1.00 0.00 H new ATOM 391 N THR A 30 5.146 -7.252 -4.132 1.00 0.00 N ATOM 392 CA THR A 30 6.180 -6.403 -3.556 1.00 0.00 C ATOM 393 C THR A 30 5.926 -4.934 -3.873 1.00 0.00 C ATOM 394 O THR A 30 6.116 -4.491 -5.007 1.00 0.00 O ATOM 395 CB THR A 30 7.579 -6.793 -4.071 1.00 0.00 C ATOM 396 OG1 THR A 30 7.782 -8.202 -3.916 1.00 0.00 O ATOM 397 CG2 THR A 30 8.663 -6.034 -3.321 1.00 0.00 C ATOM 0 H THR A 30 4.630 -6.825 -4.901 1.00 0.00 H new ATOM 0 HA THR A 30 6.144 -6.550 -2.477 1.00 0.00 H new ATOM 0 HB THR A 30 7.639 -6.531 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.192 -8.542 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.642 -6.326 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.523 -4.963 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.603 -6.269 -2.258 1.00 0.00 H new ATOM 405 N LEU A 31 5.496 -4.182 -2.867 1.00 0.00 N ATOM 406 CA LEU A 31 5.216 -2.760 -3.039 1.00 0.00 C ATOM 407 C LEU A 31 6.329 -1.909 -2.436 1.00 0.00 C ATOM 408 O LEU A 31 6.402 -1.735 -1.219 1.00 0.00 O ATOM 409 CB LEU A 31 3.877 -2.402 -2.391 1.00 0.00 C ATOM 410 CG LEU A 31 2.743 -3.407 -2.594 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.477 -2.933 -1.897 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.485 -3.628 -4.078 1.00 0.00 C ATOM 0 H LEU A 31 5.333 -4.532 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 31 5.163 -2.552 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.037 -2.276 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.554 -1.437 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 31 3.043 -4.357 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.681 -3.661 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.668 -2.827 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.174 -1.970 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.675 -4.346 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.207 -2.682 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.388 -4.014 -4.551 1.00 0.00 H new ATOM 424 N SER A 32 7.193 -1.380 -3.296 1.00 0.00 N ATOM 425 CA SER A 32 8.304 -0.548 -2.848 1.00 0.00 C ATOM 426 C SER A 32 8.017 0.928 -3.110 1.00 0.00 C ATOM 427 O SER A 32 7.162 1.270 -3.927 1.00 0.00 O ATOM 428 CB SER A 32 9.596 -0.961 -3.556 1.00 0.00 C ATOM 429 OG SER A 32 10.625 -0.014 -3.332 1.00 0.00 O ATOM 0 H SER A 32 7.145 -1.512 -4.306 1.00 0.00 H new ATOM 0 HA SER A 32 8.424 -0.692 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.914 -1.940 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.413 -1.058 -4.626 1.00 0.00 H new ATOM 0 HG SER A 32 11.440 -0.302 -3.793 1.00 0.00 H new ATOM 435 N CYS A 33 8.738 1.797 -2.410 1.00 0.00 N ATOM 436 CA CYS A 33 8.561 3.237 -2.565 1.00 0.00 C ATOM 437 C CYS A 33 9.689 4.000 -1.877 1.00 0.00 C ATOM 438 O CYS A 33 10.084 3.668 -0.760 1.00 0.00 O ATOM 439 CB CYS A 33 7.212 3.670 -1.991 1.00 0.00 C ATOM 440 SG CYS A 33 7.028 3.359 -0.220 1.00 0.00 S ATOM 0 H CYS A 33 9.450 1.530 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 33 8.586 3.469 -3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.075 4.735 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.418 3.148 -2.525 1.00 0.00 H new ATOM 0 HG CYS A 33 8.194 3.409 0.353 1.00 0.00 H new ATOM 446 N GLU A 34 10.204 5.022 -2.554 1.00 0.00 N ATOM 447 CA GLU A 34 11.288 5.830 -2.008 1.00 0.00 C ATOM 448 C GLU A 34 10.758 6.832 -0.987 1.00 0.00 C ATOM 449 O GLU A 34 9.561 7.114 -0.941 1.00 0.00 O ATOM 450 CB GLU A 34 12.019 6.567 -3.131 1.00 0.00 C ATOM 451 CG GLU A 34 13.173 5.778 -3.727 1.00 0.00 C ATOM 452 CD GLU A 34 14.173 6.661 -4.449 1.00 0.00 C ATOM 453 OE1 GLU A 34 15.057 7.228 -3.774 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.070 6.785 -5.687 1.00 0.00 O ATOM 0 H GLU A 34 9.888 5.310 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 34 11.988 5.162 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.307 6.806 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.398 7.514 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.683 5.232 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.780 5.036 -4.423 1.00 0.00 H new ATOM 461 N VAL A 35 11.659 7.368 -0.169 1.00 0.00 N ATOM 462 CA VAL A 35 11.284 8.339 0.851 1.00 0.00 C ATOM 463 C VAL A 35 12.306 9.467 0.938 1.00 0.00 C ATOM 464 O VAL A 35 13.502 9.250 0.745 1.00 0.00 O ATOM 465 CB VAL A 35 11.149 7.676 2.235 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.925 6.773 2.277 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.409 6.896 2.577 1.00 0.00 C ATOM 0 H VAL A 35 12.654 7.146 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 35 10.318 8.749 0.557 1.00 0.00 H new ATOM 0 HB VAL A 35 11.020 8.458 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.846 6.313 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.030 7.363 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.021 5.995 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.296 6.434 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.572 6.121 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.263 7.573 2.591 1.00 0.00 H new ATOM 477 N ALA A 36 11.827 10.671 1.230 1.00 0.00 N ATOM 478 CA ALA A 36 12.699 11.834 1.345 1.00 0.00 C ATOM 479 C ALA A 36 13.625 11.707 2.550 1.00 0.00 C ATOM 480 O ALA A 36 14.649 12.385 2.630 1.00 0.00 O ATOM 481 CB ALA A 36 11.872 13.107 1.444 1.00 0.00 C ATOM 0 H ALA A 36 10.839 10.867 1.391 1.00 0.00 H new ATOM 0 HA ALA A 36 13.316 11.885 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.536 13.967 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.256 13.211 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.230 13.056 2.323 1.00 0.00 H new ATOM 487 N GLN A 37 13.258 10.837 3.485 1.00 0.00 N ATOM 488 CA GLN A 37 14.056 10.624 4.686 1.00 0.00 C ATOM 489 C GLN A 37 13.955 9.177 5.158 1.00 0.00 C ATOM 490 O GLN A 37 12.881 8.577 5.124 1.00 0.00 O ATOM 491 CB GLN A 37 13.601 11.569 5.800 1.00 0.00 C ATOM 492 CG GLN A 37 13.719 13.040 5.436 1.00 0.00 C ATOM 493 CD GLN A 37 15.130 13.571 5.601 1.00 0.00 C ATOM 494 OE1 GLN A 37 15.401 14.184 6.747 1.00 0.00 O flip ATOM 495 NE2 GLN A 37 15.966 13.431 4.708 1.00 0.00 N flip ATOM 0 H GLN A 37 12.413 10.268 3.434 1.00 0.00 H new ATOM 0 HA GLN A 37 15.097 10.835 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.564 11.348 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.194 11.376 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.400 13.182 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.041 13.621 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.713 12.953 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.911 13.793 4.833 1.00 0.00 H new ATOM 504 N ALA A 38 15.080 8.623 5.597 1.00 0.00 N ATOM 505 CA ALA A 38 15.118 7.247 6.077 1.00 0.00 C ATOM 506 C ALA A 38 14.539 7.140 7.483 1.00 0.00 C ATOM 507 O ALA A 38 13.536 6.461 7.701 1.00 0.00 O ATOM 508 CB ALA A 38 16.544 6.717 6.049 1.00 0.00 C ATOM 0 H ALA A 38 15.978 9.106 5.630 1.00 0.00 H new ATOM 0 HA ALA A 38 14.504 6.640 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.557 5.689 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.924 6.748 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.174 7.334 6.689 1.00 0.00 H new ATOM 514 N GLN A 39 15.177 7.815 8.434 1.00 0.00 N ATOM 515 CA GLN A 39 14.725 7.794 9.820 1.00 0.00 C ATOM 516 C GLN A 39 13.202 7.778 9.895 1.00 0.00 C ATOM 517 O GLN A 39 12.617 7.090 10.734 1.00 0.00 O ATOM 518 CB GLN A 39 15.272 9.006 10.576 1.00 0.00 C ATOM 519 CG GLN A 39 14.851 10.338 9.976 1.00 0.00 C ATOM 520 CD GLN A 39 15.600 11.511 10.577 1.00 0.00 C ATOM 521 OE1 GLN A 39 15.611 11.699 11.793 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.233 12.308 9.724 1.00 0.00 N ATOM 0 H GLN A 39 16.008 8.383 8.270 1.00 0.00 H new ATOM 0 HA GLN A 39 15.103 6.884 10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.935 8.961 11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.361 8.952 10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.020 10.317 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.781 10.479 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.197 12.115 8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.755 13.113 10.070 1.00 0.00 H new ATOM 531 N THR A 40 12.562 8.540 9.014 1.00 0.00 N ATOM 532 CA THR A 40 11.107 8.615 8.981 1.00 0.00 C ATOM 533 C THR A 40 10.484 7.224 9.004 1.00 0.00 C ATOM 534 O THR A 40 11.049 6.273 8.465 1.00 0.00 O ATOM 535 CB THR A 40 10.611 9.367 7.731 1.00 0.00 C ATOM 536 OG1 THR A 40 11.144 10.696 7.715 1.00 0.00 O ATOM 537 CG2 THR A 40 9.091 9.424 7.702 1.00 0.00 C ATOM 0 H THR A 40 13.029 9.115 8.313 1.00 0.00 H new ATOM 0 HA THR A 40 10.799 9.163 9.871 1.00 0.00 H new ATOM 0 HB THR A 40 10.956 8.828 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.600 11.259 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.764 9.960 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.689 8.411 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.729 9.942 8.590 1.00 0.00 H new ATOM 545 N GLU A 41 9.317 7.114 9.632 1.00 0.00 N ATOM 546 CA GLU A 41 8.619 5.837 9.724 1.00 0.00 C ATOM 547 C GLU A 41 7.386 5.825 8.824 1.00 0.00 C ATOM 548 O GLU A 41 6.862 6.877 8.457 1.00 0.00 O ATOM 549 CB GLU A 41 8.210 5.558 11.172 1.00 0.00 C ATOM 550 CG GLU A 41 7.075 6.441 11.665 1.00 0.00 C ATOM 551 CD GLU A 41 6.650 6.108 13.082 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.480 6.261 14.002 1.00 0.00 O ATOM 553 OE2 GLU A 41 5.487 5.695 13.269 1.00 0.00 O ATOM 0 H GLU A 41 8.836 7.892 10.084 1.00 0.00 H new ATOM 0 HA GLU A 41 9.300 5.054 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.912 4.513 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.076 5.699 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.385 7.485 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.220 6.333 10.998 1.00 0.00 H new ATOM 560 N VAL A 42 6.929 4.628 8.472 1.00 0.00 N ATOM 561 CA VAL A 42 5.759 4.477 7.616 1.00 0.00 C ATOM 562 C VAL A 42 4.856 3.353 8.112 1.00 0.00 C ATOM 563 O VAL A 42 5.275 2.509 8.905 1.00 0.00 O ATOM 564 CB VAL A 42 6.163 4.191 6.158 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.315 5.091 5.737 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.529 2.725 5.985 1.00 0.00 C ATOM 0 H VAL A 42 7.352 3.748 8.767 1.00 0.00 H new ATOM 0 HA VAL A 42 5.215 5.420 7.656 1.00 0.00 H new ATOM 0 HB VAL A 42 5.311 4.407 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.587 4.875 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.011 6.134 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.173 4.910 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.812 2.540 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.366 2.479 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.672 2.103 6.243 1.00 0.00 H new ATOM 576 N THR A 43 3.614 3.346 7.639 1.00 0.00 N ATOM 577 CA THR A 43 2.651 2.326 8.034 1.00 0.00 C ATOM 578 C THR A 43 1.683 2.015 6.898 1.00 0.00 C ATOM 579 O THR A 43 0.883 2.863 6.503 1.00 0.00 O ATOM 580 CB THR A 43 1.848 2.761 9.274 1.00 0.00 C ATOM 581 OG1 THR A 43 2.740 3.116 10.336 1.00 0.00 O ATOM 582 CG2 THR A 43 0.919 1.649 9.735 1.00 0.00 C ATOM 0 H THR A 43 3.251 4.036 6.981 1.00 0.00 H new ATOM 0 HA THR A 43 3.222 1.430 8.277 1.00 0.00 H new ATOM 0 HB THR A 43 1.245 3.627 9.003 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.221 3.393 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.363 1.980 10.612 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.222 1.402 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.506 0.767 9.989 1.00 0.00 H new ATOM 590 N TRP A 44 1.760 0.795 6.379 1.00 0.00 N ATOM 591 CA TRP A 44 0.888 0.372 5.288 1.00 0.00 C ATOM 592 C TRP A 44 -0.552 0.229 5.767 1.00 0.00 C ATOM 593 O TRP A 44 -0.801 -0.086 6.931 1.00 0.00 O ATOM 594 CB TRP A 44 1.378 -0.952 4.701 1.00 0.00 C ATOM 595 CG TRP A 44 2.736 -0.858 4.074 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.940 -1.027 4.698 1.00 0.00 C ATOM 597 CD2 TRP A 44 3.029 -0.570 2.703 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.963 -0.862 3.796 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.431 -0.582 2.565 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.244 -0.306 1.577 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.061 -0.339 1.348 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.871 -0.065 0.370 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.268 -0.083 0.262 1.00 0.00 C ATOM 0 H TRP A 44 2.417 0.081 6.695 1.00 0.00 H new ATOM 0 HA TRP A 44 0.918 1.138 4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.401 -1.704 5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.664 -1.296 3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.068 -1.256 5.746 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.958 -0.936 4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.167 -0.291 1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.138 -0.352 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.274 0.141 -0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.728 0.109 -0.696 1.00 0.00 H new ATOM 614 N TYR A 45 -1.497 0.461 4.863 1.00 0.00 N ATOM 615 CA TYR A 45 -2.914 0.360 5.195 1.00 0.00 C ATOM 616 C TYR A 45 -3.707 -0.214 4.025 1.00 0.00 C ATOM 617 O TYR A 45 -3.723 0.352 2.932 1.00 0.00 O ATOM 618 CB TYR A 45 -3.469 1.732 5.577 1.00 0.00 C ATOM 619 CG TYR A 45 -2.878 2.291 6.852 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.421 1.971 8.091 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.778 3.139 6.819 1.00 0.00 C ATOM 622 CE1 TYR A 45 -2.885 2.479 9.258 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.235 3.650 7.981 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.792 3.318 9.198 1.00 0.00 C ATOM 625 OH TYR A 45 -1.255 3.826 10.359 1.00 0.00 O ATOM 0 H TYR A 45 -1.308 0.720 3.895 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.015 -0.314 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.280 2.431 4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.551 1.659 5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.277 1.314 8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.340 3.403 5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.319 2.221 10.212 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.378 4.306 7.937 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.489 4.398 10.142 1.00 0.00 H new ATOM 635 N LYS A 46 -4.366 -1.343 4.263 1.00 0.00 N ATOM 636 CA LYS A 46 -5.164 -1.996 3.232 1.00 0.00 C ATOM 637 C LYS A 46 -6.641 -1.645 3.384 1.00 0.00 C ATOM 638 O LYS A 46 -7.322 -2.156 4.272 1.00 0.00 O ATOM 639 CB LYS A 46 -4.981 -3.514 3.300 1.00 0.00 C ATOM 640 CG LYS A 46 -5.353 -4.230 2.014 1.00 0.00 C ATOM 641 CD LYS A 46 -5.243 -5.738 2.163 1.00 0.00 C ATOM 642 CE LYS A 46 -6.080 -6.464 1.120 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.534 -6.401 1.435 1.00 0.00 N ATOM 0 H LYS A 46 -4.363 -1.825 5.162 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.821 -1.638 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.941 -3.736 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.589 -3.909 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.372 -3.965 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.700 -3.895 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.200 -6.039 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.569 -6.031 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.901 -6.023 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.765 -7.506 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.000 -7.267 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.663 -6.316 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.956 -5.575 0.964 1.00 0.00 H new ATOM 657 N ASP A 47 -7.129 -0.771 2.511 1.00 0.00 N ATOM 658 CA ASP A 47 -8.526 -0.353 2.546 1.00 0.00 C ATOM 659 C ASP A 47 -8.824 0.441 3.814 1.00 0.00 C ATOM 660 O ASP A 47 -9.941 0.414 4.328 1.00 0.00 O ATOM 661 CB ASP A 47 -9.447 -1.571 2.464 1.00 0.00 C ATOM 662 CG ASP A 47 -10.843 -1.211 1.997 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.299 -0.089 2.299 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.480 -2.052 1.328 1.00 0.00 O ATOM 0 H ASP A 47 -6.578 -0.338 1.770 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.709 0.290 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.016 -2.303 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.506 -2.045 3.444 1.00 0.00 H new ATOM 669 N GLY A 48 -7.815 1.147 4.315 1.00 0.00 N ATOM 670 CA GLY A 48 -7.988 1.938 5.520 1.00 0.00 C ATOM 671 C GLY A 48 -7.781 1.124 6.782 1.00 0.00 C ATOM 672 O GLY A 48 -8.122 1.568 7.879 1.00 0.00 O ATOM 0 H GLY A 48 -6.881 1.185 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.284 2.770 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.990 2.367 5.528 1.00 0.00 H new ATOM 676 N LYS A 49 -7.223 -0.071 6.628 1.00 0.00 N ATOM 677 CA LYS A 49 -6.971 -0.950 7.764 1.00 0.00 C ATOM 678 C LYS A 49 -5.480 -1.020 8.077 1.00 0.00 C ATOM 679 O LYS A 49 -4.656 -1.220 7.185 1.00 0.00 O ATOM 680 CB LYS A 49 -7.509 -2.354 7.478 1.00 0.00 C ATOM 681 CG LYS A 49 -9.024 -2.446 7.529 1.00 0.00 C ATOM 682 CD LYS A 49 -9.668 -1.680 6.386 1.00 0.00 C ATOM 683 CE LYS A 49 -11.185 -1.787 6.428 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.804 -1.400 5.130 1.00 0.00 N ATOM 0 H LYS A 49 -6.936 -0.454 5.727 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.488 -0.539 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.167 -2.672 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.086 -3.051 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.328 -3.492 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.382 -2.051 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.375 -0.632 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.301 -2.067 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.470 -2.809 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.573 -1.147 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.784 -1.093 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.262 -0.620 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.799 -2.216 4.486 1.00 0.00 H new ATOM 698 N LYS A 50 -5.139 -0.856 9.351 1.00 0.00 N ATOM 699 CA LYS A 50 -3.747 -0.903 9.784 1.00 0.00 C ATOM 700 C LYS A 50 -3.171 -2.305 9.611 1.00 0.00 C ATOM 701 O LYS A 50 -3.535 -3.231 10.337 1.00 0.00 O ATOM 702 CB LYS A 50 -3.632 -0.469 11.247 1.00 0.00 C ATOM 703 CG LYS A 50 -2.200 -0.246 11.704 1.00 0.00 C ATOM 704 CD LYS A 50 -2.148 0.418 13.070 1.00 0.00 C ATOM 705 CE LYS A 50 -0.715 0.671 13.512 1.00 0.00 C ATOM 706 NZ LYS A 50 0.041 -0.599 13.696 1.00 0.00 N ATOM 0 H LYS A 50 -5.808 -0.689 10.102 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.175 -0.215 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.198 0.452 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.093 -1.228 11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.676 -1.201 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.677 0.375 10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.692 1.362 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.650 -0.214 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.210 1.290 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.717 1.231 14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.944 -0.400 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.519 -1.255 14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.226 -1.030 12.768 1.00 0.00 H new ATOM 720 N LEU A 51 -2.270 -2.454 8.647 1.00 0.00 N ATOM 721 CA LEU A 51 -1.641 -3.743 8.380 1.00 0.00 C ATOM 722 C LEU A 51 -0.627 -4.090 9.465 1.00 0.00 C ATOM 723 O LEU A 51 -0.031 -3.204 10.077 1.00 0.00 O ATOM 724 CB LEU A 51 -0.956 -3.725 7.012 1.00 0.00 C ATOM 725 CG LEU A 51 -1.884 -3.684 5.797 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.201 -2.991 4.628 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.316 -5.090 5.408 1.00 0.00 C ATOM 0 H LEU A 51 -1.958 -1.698 8.037 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.420 -4.506 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.296 -2.858 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.325 -4.610 6.932 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.774 -3.113 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.876 -2.971 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.943 -1.970 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.294 -3.534 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.976 -5.041 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.437 -5.686 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.845 -5.552 6.242 1.00 0.00 H new ATOM 739 N SER A 52 -0.435 -5.385 9.696 1.00 0.00 N ATOM 740 CA SER A 52 0.507 -5.849 10.709 1.00 0.00 C ATOM 741 C SER A 52 1.521 -6.815 10.105 1.00 0.00 C ATOM 742 O SER A 52 1.156 -7.868 9.581 1.00 0.00 O ATOM 743 CB SER A 52 -0.241 -6.528 11.858 1.00 0.00 C ATOM 744 OG SER A 52 0.537 -6.529 13.042 1.00 0.00 O ATOM 0 H SER A 52 -0.919 -6.131 9.196 1.00 0.00 H new ATOM 0 HA SER A 52 1.043 -4.983 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.183 -6.011 12.039 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.488 -7.553 11.580 1.00 0.00 H new ATOM 0 HG SER A 52 0.037 -6.967 13.762 1.00 0.00 H new ATOM 750 N SER A 53 2.796 -6.450 10.183 1.00 0.00 N ATOM 751 CA SER A 53 3.864 -7.282 9.642 1.00 0.00 C ATOM 752 C SER A 53 3.805 -8.691 10.226 1.00 0.00 C ATOM 753 O SER A 53 4.251 -8.928 11.348 1.00 0.00 O ATOM 754 CB SER A 53 5.228 -6.654 9.935 1.00 0.00 C ATOM 755 OG SER A 53 5.473 -6.595 11.329 1.00 0.00 O ATOM 0 H SER A 53 3.115 -5.583 10.616 1.00 0.00 H new ATOM 0 HA SER A 53 3.727 -7.348 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.012 -7.235 9.449 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.268 -5.650 9.513 1.00 0.00 H new ATOM 0 HG SER A 53 5.201 -7.440 11.745 1.00 0.00 H new ATOM 761 N SER A 54 3.251 -9.621 9.455 1.00 0.00 N ATOM 762 CA SER A 54 3.129 -11.006 9.896 1.00 0.00 C ATOM 763 C SER A 54 3.609 -11.966 8.812 1.00 0.00 C ATOM 764 O SER A 54 3.828 -11.568 7.668 1.00 0.00 O ATOM 765 CB SER A 54 1.678 -11.320 10.265 1.00 0.00 C ATOM 766 OG SER A 54 1.598 -12.471 11.088 1.00 0.00 O ATOM 0 H SER A 54 2.880 -9.441 8.522 1.00 0.00 H new ATOM 0 HA SER A 54 3.757 -11.137 10.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.239 -10.468 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.095 -11.477 9.358 1.00 0.00 H new ATOM 0 HG SER A 54 0.660 -12.649 11.311 1.00 0.00 H new ATOM 772 N SER A 55 3.770 -13.232 9.181 1.00 0.00 N ATOM 773 CA SER A 55 4.227 -14.250 8.242 1.00 0.00 C ATOM 774 C SER A 55 3.691 -13.976 6.840 1.00 0.00 C ATOM 775 O SER A 55 4.405 -14.127 5.848 1.00 0.00 O ATOM 776 CB SER A 55 3.785 -15.639 8.707 1.00 0.00 C ATOM 777 OG SER A 55 4.493 -16.037 9.868 1.00 0.00 O ATOM 0 H SER A 55 3.591 -13.578 10.124 1.00 0.00 H new ATOM 0 HA SER A 55 5.316 -14.215 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.715 -15.633 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.952 -16.363 7.909 1.00 0.00 H new ATOM 0 HG SER A 55 4.191 -16.927 10.146 1.00 0.00 H new ATOM 783 N LYS A 56 2.427 -13.572 6.765 1.00 0.00 N ATOM 784 CA LYS A 56 1.793 -13.275 5.487 1.00 0.00 C ATOM 785 C LYS A 56 2.437 -12.058 4.829 1.00 0.00 C ATOM 786 O LYS A 56 3.001 -12.156 3.739 1.00 0.00 O ATOM 787 CB LYS A 56 0.295 -13.028 5.682 1.00 0.00 C ATOM 788 CG LYS A 56 -0.511 -13.128 4.399 1.00 0.00 C ATOM 789 CD LYS A 56 -0.752 -14.576 4.003 1.00 0.00 C ATOM 790 CE LYS A 56 -2.038 -15.113 4.612 1.00 0.00 C ATOM 791 NZ LYS A 56 -1.849 -15.531 6.028 1.00 0.00 N ATOM 0 H LYS A 56 1.822 -13.443 7.576 1.00 0.00 H new ATOM 0 HA LYS A 56 1.932 -14.136 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.093 -13.749 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.152 -12.038 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.467 -12.621 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.016 -12.613 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.802 -14.654 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.089 -15.188 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.812 -14.347 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.390 -15.962 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.389 -16.401 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.840 -15.707 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.186 -14.777 6.660 1.00 0.00 H new ATOM 805 N VAL A 57 2.350 -10.914 5.499 1.00 0.00 N ATOM 806 CA VAL A 57 2.927 -9.679 4.981 1.00 0.00 C ATOM 807 C VAL A 57 4.164 -9.274 5.776 1.00 0.00 C ATOM 808 O VAL A 57 4.149 -9.272 7.007 1.00 0.00 O ATOM 809 CB VAL A 57 1.908 -8.525 5.016 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.533 -7.244 4.486 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.664 -8.890 4.219 1.00 0.00 C ATOM 0 H VAL A 57 1.886 -10.816 6.402 1.00 0.00 H new ATOM 0 HA VAL A 57 3.210 -9.872 3.946 1.00 0.00 H new ATOM 0 HB VAL A 57 1.613 -8.355 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.798 -6.440 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.391 -6.976 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.858 -7.397 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.046 -8.064 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.940 -9.087 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.205 -9.781 4.648 1.00 0.00 H new ATOM 821 N ARG A 58 5.232 -8.931 5.064 1.00 0.00 N ATOM 822 CA ARG A 58 6.478 -8.525 5.703 1.00 0.00 C ATOM 823 C ARG A 58 6.818 -7.078 5.360 1.00 0.00 C ATOM 824 O ARG A 58 6.996 -6.731 4.192 1.00 0.00 O ATOM 825 CB ARG A 58 7.621 -9.445 5.271 1.00 0.00 C ATOM 826 CG ARG A 58 8.976 -9.034 5.824 1.00 0.00 C ATOM 827 CD ARG A 58 10.058 -10.035 5.450 1.00 0.00 C ATOM 828 NE ARG A 58 10.533 -9.842 4.083 1.00 0.00 N ATOM 829 CZ ARG A 58 11.301 -10.715 3.441 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.679 -11.836 4.040 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.693 -10.468 2.198 1.00 0.00 N ATOM 0 H ARG A 58 5.260 -8.926 4.044 1.00 0.00 H new ATOM 0 HA ARG A 58 6.346 -8.603 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.399 -10.462 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.672 -9.461 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.243 -8.049 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.917 -8.949 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.895 -9.939 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.669 -11.047 5.559 1.00 0.00 H new ATOM 0 HE ARG A 58 10.260 -8.990 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.380 -12.029 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.269 -12.505 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.405 -9.607 1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.283 -11.139 1.706 1.00 0.00 H new ATOM 845 N VAL A 59 6.906 -6.237 6.385 1.00 0.00 N ATOM 846 CA VAL A 59 7.225 -4.827 6.193 1.00 0.00 C ATOM 847 C VAL A 59 8.729 -4.588 6.274 1.00 0.00 C ATOM 848 O VAL A 59 9.301 -4.543 7.363 1.00 0.00 O ATOM 849 CB VAL A 59 6.518 -3.944 7.238 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.892 -2.482 7.043 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.011 -4.132 7.162 1.00 0.00 C ATOM 0 H VAL A 59 6.761 -6.508 7.358 1.00 0.00 H new ATOM 0 HA VAL A 59 6.870 -4.554 5.199 1.00 0.00 H new ATOM 0 HB VAL A 59 6.850 -4.250 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.383 -1.873 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.970 -2.365 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.591 -2.159 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.528 -3.501 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.659 -3.855 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.764 -5.176 7.356 1.00 0.00 H new ATOM 861 N GLU A 60 9.362 -4.434 5.116 1.00 0.00 N ATOM 862 CA GLU A 60 10.800 -4.200 5.057 1.00 0.00 C ATOM 863 C GLU A 60 11.100 -2.729 4.784 1.00 0.00 C ATOM 864 O GLU A 60 10.414 -2.080 3.994 1.00 0.00 O ATOM 865 CB GLU A 60 11.437 -5.072 3.973 1.00 0.00 C ATOM 866 CG GLU A 60 11.896 -6.430 4.476 1.00 0.00 C ATOM 867 CD GLU A 60 13.249 -6.374 5.158 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.581 -5.313 5.728 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.976 -7.388 5.121 1.00 0.00 O ATOM 0 H GLU A 60 8.902 -4.467 4.206 1.00 0.00 H new ATOM 0 HA GLU A 60 11.226 -4.467 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.718 -5.217 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.291 -4.544 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.157 -6.823 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.944 -7.126 3.638 1.00 0.00 H new ATOM 876 N ALA A 61 12.131 -2.209 5.443 1.00 0.00 N ATOM 877 CA ALA A 61 12.524 -0.816 5.271 1.00 0.00 C ATOM 878 C ALA A 61 14.033 -0.689 5.097 1.00 0.00 C ATOM 879 O ALA A 61 14.768 -0.512 6.069 1.00 0.00 O ATOM 880 CB ALA A 61 12.055 0.015 6.457 1.00 0.00 C ATOM 0 H ALA A 61 12.709 -2.732 6.101 1.00 0.00 H new ATOM 0 HA ALA A 61 12.048 -0.439 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.355 1.053 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.969 -0.041 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.504 -0.371 7.372 1.00 0.00 H new ATOM 886 N VAL A 62 14.491 -0.782 3.852 1.00 0.00 N ATOM 887 CA VAL A 62 15.913 -0.677 3.550 1.00 0.00 C ATOM 888 C VAL A 62 16.293 0.753 3.181 1.00 0.00 C ATOM 889 O VAL A 62 15.928 1.247 2.115 1.00 0.00 O ATOM 890 CB VAL A 62 16.314 -1.617 2.398 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.395 -3.056 2.886 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.331 -1.491 1.243 1.00 0.00 C ATOM 0 H VAL A 62 13.897 -0.930 3.036 1.00 0.00 H new ATOM 0 HA VAL A 62 16.450 -0.971 4.452 1.00 0.00 H new ATOM 0 HB VAL A 62 17.301 -1.325 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.680 -3.705 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.140 -3.130 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.423 -3.365 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.629 -2.162 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.331 -1.757 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.328 -0.464 0.878 1.00 0.00 H new ATOM 902 N GLY A 63 17.028 1.413 4.070 1.00 0.00 N ATOM 903 CA GLY A 63 17.446 2.780 3.819 1.00 0.00 C ATOM 904 C GLY A 63 16.283 3.686 3.467 1.00 0.00 C ATOM 905 O GLY A 63 15.468 4.024 4.327 1.00 0.00 O ATOM 0 H GLY A 63 17.342 1.026 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.952 3.170 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.171 2.791 3.005 1.00 0.00 H new ATOM 909 N CYS A 64 16.205 4.082 2.202 1.00 0.00 N ATOM 910 CA CYS A 64 15.134 4.957 1.738 1.00 0.00 C ATOM 911 C CYS A 64 14.191 4.212 0.800 1.00 0.00 C ATOM 912 O CYS A 64 13.670 4.783 -0.159 1.00 0.00 O ATOM 913 CB CYS A 64 15.717 6.180 1.029 1.00 0.00 C ATOM 914 SG CYS A 64 16.221 5.872 -0.680 1.00 0.00 S ATOM 0 H CYS A 64 16.871 3.811 1.478 1.00 0.00 H new ATOM 0 HA CYS A 64 14.566 5.287 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 64 14.977 6.980 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 64 16.579 6.536 1.592 1.00 0.00 H new ATOM 0 HG CYS A 64 15.287 5.208 -1.295 1.00 0.00 H new ATOM 920 N THR A 65 13.975 2.930 1.080 1.00 0.00 N ATOM 921 CA THR A 65 13.097 2.105 0.260 1.00 0.00 C ATOM 922 C THR A 65 12.237 1.190 1.124 1.00 0.00 C ATOM 923 O THR A 65 12.737 0.242 1.729 1.00 0.00 O ATOM 924 CB THR A 65 13.901 1.246 -0.735 1.00 0.00 C ATOM 925 OG1 THR A 65 14.379 2.061 -1.810 1.00 0.00 O ATOM 926 CG2 THR A 65 13.046 0.117 -1.289 1.00 0.00 C ATOM 0 H THR A 65 14.397 2.441 1.869 1.00 0.00 H new ATOM 0 HA THR A 65 12.453 2.786 -0.297 1.00 0.00 H new ATOM 0 HB THR A 65 14.748 0.812 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.890 1.508 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.635 -0.476 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.708 -0.518 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.182 0.535 -1.805 1.00 0.00 H new ATOM 934 N ARG A 66 10.941 1.480 1.177 1.00 0.00 N ATOM 935 CA ARG A 66 10.011 0.683 1.968 1.00 0.00 C ATOM 936 C ARG A 66 9.254 -0.304 1.085 1.00 0.00 C ATOM 937 O ARG A 66 8.334 0.074 0.361 1.00 0.00 O ATOM 938 CB ARG A 66 9.022 1.592 2.699 1.00 0.00 C ATOM 939 CG ARG A 66 9.684 2.740 3.444 1.00 0.00 C ATOM 940 CD ARG A 66 10.347 2.263 4.727 1.00 0.00 C ATOM 941 NE ARG A 66 11.186 3.297 5.326 1.00 0.00 N ATOM 942 CZ ARG A 66 12.412 3.585 4.903 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.939 2.921 3.884 1.00 0.00 N ATOM 944 NH2 ARG A 66 13.114 4.540 5.501 1.00 0.00 N ATOM 0 H ARG A 66 10.511 2.261 0.681 1.00 0.00 H new ATOM 0 HA ARG A 66 10.587 0.120 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.314 1.999 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.447 0.994 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.428 3.211 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.939 3.500 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.580 1.960 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.953 1.382 4.516 1.00 0.00 H new ATOM 0 HE ARG A 66 10.810 3.827 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.403 2.186 3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.881 3.145 3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.712 5.053 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.055 4.761 5.176 1.00 0.00 H new ATOM 958 N ARG A 67 9.650 -1.572 1.150 1.00 0.00 N ATOM 959 CA ARG A 67 9.010 -2.613 0.356 1.00 0.00 C ATOM 960 C ARG A 67 8.111 -3.486 1.226 1.00 0.00 C ATOM 961 O ARG A 67 8.425 -3.757 2.386 1.00 0.00 O ATOM 962 CB ARG A 67 10.066 -3.479 -0.335 1.00 0.00 C ATOM 963 CG ARG A 67 10.636 -4.570 0.557 1.00 0.00 C ATOM 964 CD ARG A 67 11.816 -5.267 -0.102 1.00 0.00 C ATOM 965 NE ARG A 67 11.387 -6.296 -1.045 1.00 0.00 N ATOM 966 CZ ARG A 67 12.172 -7.282 -1.464 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.420 -7.372 -1.026 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.709 -8.181 -2.323 1.00 0.00 N ATOM 0 H ARG A 67 10.411 -1.902 1.744 1.00 0.00 H new ATOM 0 HA ARG A 67 8.394 -2.129 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.625 -3.938 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.880 -2.840 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.951 -4.138 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.859 -5.301 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.427 -4.530 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.445 -5.718 0.665 1.00 0.00 H new ATOM 0 HE ARG A 67 10.432 -6.255 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.780 -6.683 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.021 -8.130 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.749 -8.115 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.313 -8.938 -2.644 1.00 0.00 H new ATOM 982 N LEU A 68 6.991 -3.923 0.660 1.00 0.00 N ATOM 983 CA LEU A 68 6.045 -4.765 1.384 1.00 0.00 C ATOM 984 C LEU A 68 5.775 -6.059 0.623 1.00 0.00 C ATOM 985 O LEU A 68 5.080 -6.060 -0.393 1.00 0.00 O ATOM 986 CB LEU A 68 4.734 -4.012 1.614 1.00 0.00 C ATOM 987 CG LEU A 68 3.707 -4.709 2.507 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.912 -4.319 3.962 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.293 -4.372 2.057 1.00 0.00 C ATOM 0 H LEU A 68 6.716 -3.708 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 68 6.485 -5.018 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.968 -3.042 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.273 -3.821 0.645 1.00 0.00 H new ATOM 0 HG LEU A 68 3.849 -5.786 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.172 -4.825 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.913 -4.612 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.799 -3.240 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.575 -4.877 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.140 -3.294 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.150 -4.703 1.028 1.00 0.00 H new ATOM 1001 N VAL A 69 6.327 -7.160 1.123 1.00 0.00 N ATOM 1002 CA VAL A 69 6.143 -8.461 0.492 1.00 0.00 C ATOM 1003 C VAL A 69 4.863 -9.131 0.978 1.00 0.00 C ATOM 1004 O VAL A 69 4.674 -9.338 2.177 1.00 0.00 O ATOM 1005 CB VAL A 69 7.336 -9.395 0.773 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.123 -10.747 0.110 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.633 -8.758 0.298 1.00 0.00 C ATOM 0 H VAL A 69 6.905 -7.177 1.963 1.00 0.00 H new ATOM 0 HA VAL A 69 6.073 -8.285 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 69 7.407 -9.552 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.975 -11.393 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.215 -11.206 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.025 -10.613 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.466 -9.431 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.575 -8.570 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.789 -7.816 0.823 1.00 0.00 H new ATOM 1017 N VAL A 70 3.985 -9.469 0.039 1.00 0.00 N ATOM 1018 CA VAL A 70 2.722 -10.118 0.371 1.00 0.00 C ATOM 1019 C VAL A 70 2.720 -11.577 -0.072 1.00 0.00 C ATOM 1020 O VAL A 70 2.514 -11.878 -1.247 1.00 0.00 O ATOM 1021 CB VAL A 70 1.530 -9.393 -0.283 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.243 -10.173 -0.061 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.406 -7.977 0.259 1.00 0.00 C ATOM 0 H VAL A 70 4.125 -9.304 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 70 2.617 -10.071 1.455 1.00 0.00 H new ATOM 0 HB VAL A 70 1.708 -9.332 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.588 -9.646 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.338 -11.165 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.055 -10.268 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.559 -7.479 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.250 -8.012 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.319 -7.423 0.042 1.00 0.00 H new ATOM 1033 N GLN A 71 2.951 -12.478 0.878 1.00 0.00 N ATOM 1034 CA GLN A 71 2.976 -13.906 0.585 1.00 0.00 C ATOM 1035 C GLN A 71 1.584 -14.412 0.221 1.00 0.00 C ATOM 1036 O GLN A 71 0.581 -13.917 0.734 1.00 0.00 O ATOM 1037 CB GLN A 71 3.517 -14.684 1.786 1.00 0.00 C ATOM 1038 CG GLN A 71 4.896 -14.227 2.236 1.00 0.00 C ATOM 1039 CD GLN A 71 5.707 -15.347 2.858 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.155 -16.341 3.330 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.026 -15.190 2.863 1.00 0.00 N ATOM 0 H GLN A 71 3.123 -12.244 1.856 1.00 0.00 H new ATOM 0 HA GLN A 71 3.634 -14.065 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.820 -14.582 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.559 -15.743 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.438 -13.823 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.789 -13.417 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.441 -14.350 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.624 -15.910 3.269 1.00 0.00 H new ATOM 1050 N GLN A 72 1.532 -15.399 -0.666 1.00 0.00 N ATOM 1051 CA GLN A 72 0.263 -15.971 -1.099 1.00 0.00 C ATOM 1052 C GLN A 72 -0.710 -14.876 -1.524 1.00 0.00 C ATOM 1053 O GLN A 72 -1.834 -14.805 -1.028 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.352 -16.809 0.023 1.00 0.00 C ATOM 1055 CG GLN A 72 0.169 -18.236 0.072 1.00 0.00 C ATOM 1056 CD GLN A 72 -0.351 -19.007 1.269 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.120 -18.625 2.416 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -1.059 -20.099 1.008 1.00 0.00 N ATOM 0 H GLN A 72 2.354 -15.820 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 72 0.457 -16.613 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.151 -16.325 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.435 -16.830 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.118 -18.755 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.259 -18.220 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.227 -20.379 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.436 -20.658 1.774 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.270 -14.025 -2.444 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.103 -12.934 -2.937 1.00 0.00 C ATOM 1069 C ALA A 73 -2.380 -13.466 -3.579 1.00 0.00 C ATOM 1070 O ALA A 73 -2.368 -13.926 -4.720 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.326 -12.083 -3.930 1.00 0.00 C ATOM 0 H ALA A 73 0.659 -14.069 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.386 -12.313 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.960 -11.273 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.554 -11.665 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.014 -12.700 -4.772 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.482 -13.400 -2.838 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.752 -13.880 -3.352 1.00 0.00 C ATOM 1079 C GLY A 74 -5.835 -12.821 -3.300 1.00 0.00 C ATOM 1080 O GLY A 74 -5.596 -11.702 -2.847 1.00 0.00 O ATOM 0 H GLY A 74 -3.518 -13.023 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.622 -14.212 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.069 -14.749 -2.775 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.028 -13.174 -3.767 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.151 -12.244 -3.773 1.00 0.00 C ATOM 1086 C GLN A 75 -8.117 -11.340 -2.545 1.00 0.00 C ATOM 1087 O GLN A 75 -8.151 -10.115 -2.662 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.475 -13.009 -3.821 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.865 -13.463 -5.218 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.612 -12.399 -6.269 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.177 -11.307 -6.211 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.760 -12.714 -7.237 1.00 0.00 N ATOM 0 H GLN A 75 -7.242 -14.097 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.068 -11.620 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.405 -13.881 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.266 -12.375 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.304 -14.362 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.921 -13.733 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.314 -13.631 -7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.551 -12.039 -7.972 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.049 -11.952 -1.368 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.008 -11.203 -0.118 1.00 0.00 C ATOM 1103 C ALA A 76 -6.917 -10.138 -0.152 1.00 0.00 C ATOM 1104 O ALA A 76 -7.165 -8.974 0.160 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.792 -12.146 1.056 1.00 0.00 C ATOM 0 H ALA A 76 -8.021 -12.965 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.967 -10.700 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.764 -11.573 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.609 -12.866 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.848 -12.676 0.928 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.710 -10.546 -0.531 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.581 -9.626 -0.603 1.00 0.00 C ATOM 1113 C GLU A 77 -4.832 -8.538 -1.644 1.00 0.00 C ATOM 1114 O GLU A 77 -4.416 -7.392 -1.472 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.297 -10.385 -0.942 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.790 -11.260 0.191 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.798 -12.313 0.611 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.149 -13.166 -0.231 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.236 -12.283 1.779 1.00 0.00 O ATOM 0 H GLU A 77 -5.489 -11.507 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.468 -9.153 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.474 -11.007 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.521 -9.668 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.866 -11.749 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.547 -10.633 1.049 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.515 -8.906 -2.723 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.822 -7.962 -3.791 1.00 0.00 C ATOM 1128 C ALA A 78 -6.689 -6.817 -3.278 1.00 0.00 C ATOM 1129 O ALA A 78 -7.790 -7.037 -2.775 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.514 -8.676 -4.943 1.00 0.00 C ATOM 0 H ALA A 78 -5.866 -9.851 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.884 -7.540 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.738 -7.960 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.860 -9.455 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.441 -9.126 -4.588 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.185 -5.594 -3.410 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.927 -4.433 -2.954 1.00 0.00 C ATOM 1138 C GLY A 79 -6.196 -3.134 -3.230 1.00 0.00 C ATOM 1139 O GLY A 79 -5.678 -2.927 -4.327 1.00 0.00 O ATOM 0 H GLY A 79 -5.276 -5.386 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.900 -4.411 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.113 -4.522 -1.884 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.156 -2.255 -2.233 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.486 -0.968 -2.376 1.00 0.00 C ATOM 1145 C GLU A 80 -4.621 -0.667 -1.155 1.00 0.00 C ATOM 1146 O GLU A 80 -5.119 -0.213 -0.125 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.514 0.148 -2.575 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.926 0.345 -4.024 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.807 1.563 -4.220 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.288 2.694 -4.110 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.015 1.386 -4.482 1.00 0.00 O ATOM 0 H GLU A 80 -6.580 -2.411 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.841 -1.018 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.400 -0.076 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.102 1.082 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.033 0.444 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.456 -0.542 -4.371 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.324 -0.923 -1.279 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.389 -0.683 -0.186 1.00 0.00 C ATOM 1160 C TYR A 81 -1.931 0.773 -0.171 1.00 0.00 C ATOM 1161 O TYR A 81 -1.573 1.333 -1.207 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.178 -1.609 -0.309 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.478 -3.048 0.046 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.095 -3.895 -0.866 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.144 -3.560 1.294 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.371 -5.210 -0.545 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.415 -4.874 1.623 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.029 -5.695 0.700 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.302 -7.004 1.024 1.00 0.00 O ATOM 0 H TYR A 81 -2.896 -1.297 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.904 -0.893 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.801 -1.567 -1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.383 -1.242 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.363 -3.519 -1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.664 -2.919 2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.852 -5.855 -1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.148 -5.256 2.597 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.963 -7.365 0.397 1.00 0.00 H new ATOM 1179 N SER A 82 -1.946 1.379 1.012 1.00 0.00 N ATOM 1180 CA SER A 82 -1.536 2.770 1.163 1.00 0.00 C ATOM 1181 C SER A 82 -0.426 2.899 2.202 1.00 0.00 C ATOM 1182 O SER A 82 -0.651 2.695 3.396 1.00 0.00 O ATOM 1183 CB SER A 82 -2.731 3.635 1.567 1.00 0.00 C ATOM 1184 OG SER A 82 -3.802 3.484 0.652 1.00 0.00 O ATOM 0 H SER A 82 -2.238 0.929 1.879 1.00 0.00 H new ATOM 0 HA SER A 82 -1.154 3.117 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.062 3.359 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.429 4.681 1.609 1.00 0.00 H new ATOM 0 HG SER A 82 -4.554 4.046 0.933 1.00 0.00 H new ATOM 1190 N CYS A 83 0.772 3.238 1.739 1.00 0.00 N ATOM 1191 CA CYS A 83 1.919 3.394 2.627 1.00 0.00 C ATOM 1192 C CYS A 83 1.944 4.790 3.243 1.00 0.00 C ATOM 1193 O CYS A 83 2.497 5.723 2.663 1.00 0.00 O ATOM 1194 CB CYS A 83 3.219 3.136 1.865 1.00 0.00 C ATOM 1195 SG CYS A 83 4.713 3.351 2.860 1.00 0.00 S ATOM 0 H CYS A 83 0.975 3.410 0.754 1.00 0.00 H new ATOM 0 HA CYS A 83 1.827 2.664 3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.201 2.120 1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.266 3.809 1.009 1.00 0.00 H new ATOM 0 HG CYS A 83 5.752 3.395 2.079 1.00 0.00 H new ATOM 1201 N GLU A 84 1.340 4.923 4.419 1.00 0.00 N ATOM 1202 CA GLU A 84 1.292 6.206 5.111 1.00 0.00 C ATOM 1203 C GLU A 84 2.643 6.536 5.740 1.00 0.00 C ATOM 1204 O GLU A 84 3.408 5.641 6.098 1.00 0.00 O ATOM 1205 CB GLU A 84 0.206 6.188 6.189 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.406 7.552 6.459 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.213 7.587 7.742 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -1.864 6.570 8.062 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -1.192 8.630 8.428 1.00 0.00 O ATOM 0 H GLU A 84 0.878 4.159 4.912 1.00 0.00 H new ATOM 0 HA GLU A 84 1.054 6.977 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.582 5.499 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.631 5.800 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.387 8.297 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.048 7.830 5.623 1.00 0.00 H new ATOM 1216 N ALA A 85 2.929 7.827 5.869 1.00 0.00 N ATOM 1217 CA ALA A 85 4.186 8.277 6.454 1.00 0.00 C ATOM 1218 C ALA A 85 4.175 9.784 6.687 1.00 0.00 C ATOM 1219 O ALA A 85 4.270 10.568 5.744 1.00 0.00 O ATOM 1220 CB ALA A 85 5.354 7.887 5.560 1.00 0.00 C ATOM 0 H ALA A 85 2.307 8.580 5.576 1.00 0.00 H new ATOM 0 HA ALA A 85 4.304 7.788 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.286 8.229 6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.381 6.803 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.232 8.349 4.580 1.00 0.00 H new ATOM 1226 N GLY A 86 4.058 10.182 7.951 1.00 0.00 N ATOM 1227 CA GLY A 86 4.036 11.594 8.284 1.00 0.00 C ATOM 1228 C GLY A 86 2.752 12.272 7.851 1.00 0.00 C ATOM 1229 O GLY A 86 1.803 12.375 8.627 1.00 0.00 O ATOM 0 H GLY A 86 3.978 9.552 8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.160 11.712 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.883 12.089 7.809 1.00 0.00 H new ATOM 1233 N GLY A 87 2.721 12.739 6.606 1.00 0.00 N ATOM 1234 CA GLY A 87 1.540 13.407 6.093 1.00 0.00 C ATOM 1235 C GLY A 87 1.224 13.011 4.664 1.00 0.00 C ATOM 1236 O GLY A 87 0.301 13.549 4.054 1.00 0.00 O ATOM 0 H GLY A 87 3.493 12.666 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.687 13.170 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.686 14.486 6.144 1.00 0.00 H new ATOM 1240 N GLN A 88 1.994 12.069 4.129 1.00 0.00 N ATOM 1241 CA GLN A 88 1.793 11.604 2.762 1.00 0.00 C ATOM 1242 C GLN A 88 1.605 10.091 2.724 1.00 0.00 C ATOM 1243 O GLN A 88 1.849 9.401 3.713 1.00 0.00 O ATOM 1244 CB GLN A 88 2.979 12.005 1.884 1.00 0.00 C ATOM 1245 CG GLN A 88 2.988 13.478 1.509 1.00 0.00 C ATOM 1246 CD GLN A 88 4.118 13.833 0.563 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.687 12.963 -0.097 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.451 15.117 0.493 1.00 0.00 N ATOM 0 H GLN A 88 2.762 11.613 4.621 1.00 0.00 H new ATOM 0 HA GLN A 88 0.889 12.074 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.905 11.766 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.964 11.407 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.036 13.737 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.075 14.079 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.953 15.805 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.205 15.415 -0.126 1.00 0.00 H new ATOM 1257 N GLN A 89 1.171 9.582 1.575 1.00 0.00 N ATOM 1258 CA GLN A 89 0.950 8.150 1.409 1.00 0.00 C ATOM 1259 C GLN A 89 0.670 7.808 -0.050 1.00 0.00 C ATOM 1260 O GLN A 89 -0.155 8.450 -0.702 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.214 7.687 2.287 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.579 8.055 1.730 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.139 6.991 0.806 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -1.394 6.317 0.093 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.457 6.834 0.813 1.00 0.00 N ATOM 0 H GLN A 89 0.966 10.140 0.746 1.00 0.00 H new ATOM 0 HA GLN A 89 1.857 7.630 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.160 6.605 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.106 8.124 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.273 8.216 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.504 8.998 1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.036 7.414 1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.890 6.133 0.212 1.00 0.00 H new ATOM 1274 N LEU A 90 1.361 6.794 -0.559 1.00 0.00 N ATOM 1275 CA LEU A 90 1.187 6.366 -1.942 1.00 0.00 C ATOM 1276 C LEU A 90 0.178 5.226 -2.037 1.00 0.00 C ATOM 1277 O LEU A 90 -0.036 4.492 -1.072 1.00 0.00 O ATOM 1278 CB LEU A 90 2.528 5.927 -2.534 1.00 0.00 C ATOM 1279 CG LEU A 90 3.665 6.945 -2.449 1.00 0.00 C ATOM 1280 CD1 LEU A 90 5.003 6.276 -2.723 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.429 8.090 -3.423 1.00 0.00 C ATOM 0 H LEU A 90 2.048 6.253 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 90 0.805 7.213 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.845 5.015 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.373 5.672 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 90 3.687 7.353 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.800 7.017 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.175 5.492 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.994 5.840 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.248 8.805 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.379 7.699 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.490 8.587 -3.179 1.00 0.00 H new ATOM 1293 N SER A 91 -0.438 5.083 -3.206 1.00 0.00 N ATOM 1294 CA SER A 91 -1.425 4.033 -3.426 1.00 0.00 C ATOM 1295 C SER A 91 -0.829 2.889 -4.241 1.00 0.00 C ATOM 1296 O SER A 91 0.025 3.103 -5.101 1.00 0.00 O ATOM 1297 CB SER A 91 -2.652 4.600 -4.144 1.00 0.00 C ATOM 1298 OG SER A 91 -2.836 5.970 -3.834 1.00 0.00 O ATOM 0 H SER A 91 -0.271 5.681 -4.015 1.00 0.00 H new ATOM 0 HA SER A 91 -1.728 3.644 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.535 4.480 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.539 4.036 -3.855 1.00 0.00 H new ATOM 0 HG SER A 91 -2.170 6.506 -4.313 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.286 1.673 -3.963 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.799 0.493 -4.668 1.00 0.00 C ATOM 1306 C PHE A 92 -1.935 -0.491 -4.933 1.00 0.00 C ATOM 1307 O PHE A 92 -2.397 -1.181 -4.024 1.00 0.00 O ATOM 1308 CB PHE A 92 0.305 -0.191 -3.858 1.00 0.00 C ATOM 1309 CG PHE A 92 1.464 0.711 -3.542 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.376 1.639 -2.517 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.640 0.631 -4.270 1.00 0.00 C ATOM 1312 CE1 PHE A 92 2.440 2.471 -2.225 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.708 1.460 -3.982 1.00 0.00 C ATOM 1314 CZ PHE A 92 3.608 2.381 -2.957 1.00 0.00 C ATOM 0 H PHE A 92 -1.993 1.479 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.391 0.816 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.118 -0.565 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.669 -1.056 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.466 1.713 -1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.723 -0.088 -5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.358 3.191 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.619 1.388 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.441 3.029 -2.729 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.380 -0.548 -6.184 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.463 -1.445 -6.569 1.00 0.00 C ATOM 1326 C ARG A 93 -2.919 -2.813 -6.969 1.00 0.00 C ATOM 1327 O ARG A 93 -2.538 -3.029 -8.121 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.264 -0.845 -7.725 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.355 -1.763 -8.252 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.604 -1.697 -7.388 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.335 -0.446 -7.578 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.953 -0.121 -8.707 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.931 -0.949 -9.742 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.597 1.036 -8.803 1.00 0.00 N ATOM 0 H ARG A 93 -2.007 0.016 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.120 -1.572 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.716 0.090 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.582 -0.600 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.604 -1.483 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.986 -2.788 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.255 -2.538 -7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.325 -1.798 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.372 0.213 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.438 -1.839 -9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.407 -0.696 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.617 1.676 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.072 1.285 -9.671 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.884 -3.734 -6.012 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.386 -5.082 -6.264 1.00 0.00 C ATOM 1350 C LEU A 94 -3.465 -5.950 -6.903 1.00 0.00 C ATOM 1351 O LEU A 94 -4.573 -6.066 -6.378 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.906 -5.721 -4.960 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.486 -7.189 -5.048 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.311 -7.352 -5.999 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.137 -7.727 -3.668 1.00 0.00 C ATOM 0 H LEU A 94 -3.195 -3.572 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.547 -5.010 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.061 -5.144 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.703 -5.635 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.325 -7.765 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.026 -8.403 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.596 -7.006 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.533 -6.764 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.840 -8.773 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.314 -7.148 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.006 -7.646 -3.015 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.133 -6.560 -8.036 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.074 -7.419 -8.745 1.00 0.00 C ATOM 1369 C GLN A 95 -3.609 -8.871 -8.721 1.00 0.00 C ATOM 1370 O GLN A 95 -2.444 -9.166 -8.990 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.238 -6.947 -10.191 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.994 -5.634 -10.320 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.476 -5.375 -11.734 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.097 -6.079 -12.670 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.317 -4.360 -11.896 1.00 0.00 N ATOM 0 H GLN A 95 -2.220 -6.475 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.037 -7.357 -8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.252 -6.835 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.762 -7.716 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.849 -5.644 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.348 -4.815 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.605 -3.803 -11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.675 -4.138 -12.825 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.527 -9.776 -8.397 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.211 -11.199 -8.339 1.00 0.00 C ATOM 1386 C VAL A 96 -4.762 -11.934 -9.555 1.00 0.00 C ATOM 1387 O VAL A 96 -5.957 -11.870 -9.844 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.776 -11.847 -7.061 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.533 -13.349 -7.072 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -4.163 -11.208 -5.824 1.00 0.00 C ATOM 0 H VAL A 96 -5.495 -9.549 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.124 -11.282 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.852 -11.677 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.939 -13.790 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.024 -13.791 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.462 -13.544 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.574 -11.678 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.082 -11.345 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.394 -10.143 -5.812 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.883 -12.634 -10.266 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.282 -13.384 -11.450 1.00 0.00 C ATOM 1402 C ALA A 97 -4.767 -14.781 -11.077 1.00 0.00 C ATOM 1403 O ALA A 97 -3.978 -15.721 -10.994 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.125 -13.470 -12.434 1.00 0.00 C ATOM 0 H ALA A 97 -2.890 -12.697 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.109 -12.855 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.437 -14.033 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.826 -12.465 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.282 -13.974 -11.961 1.00 0.00 H new ATOM 1410 N GLY A 98 -6.072 -14.909 -10.853 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.639 -16.194 -10.491 1.00 0.00 C ATOM 1412 C GLY A 98 -7.531 -16.111 -9.268 1.00 0.00 C ATOM 1413 O GLY A 98 -8.307 -15.167 -9.122 1.00 0.00 O ATOM 0 H GLY A 98 -6.746 -14.146 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.215 -16.583 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.833 -16.903 -10.301 1.00 0.00 H new ATOM 1417 N GLN A 99 -7.421 -17.101 -8.388 1.00 0.00 N ATOM 1418 CA GLN A 99 -8.226 -17.136 -7.173 1.00 0.00 C ATOM 1419 C GLN A 99 -7.819 -18.305 -6.283 1.00 0.00 C ATOM 1420 O GLN A 99 -7.444 -19.371 -6.775 1.00 0.00 O ATOM 1421 CB GLN A 99 -9.712 -17.239 -7.524 1.00 0.00 C ATOM 1422 CG GLN A 99 -10.119 -18.605 -8.053 1.00 0.00 C ATOM 1423 CD GLN A 99 -11.394 -18.558 -8.871 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -12.309 -17.790 -8.571 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -11.461 -19.381 -9.911 1.00 0.00 N ATOM 0 H GLN A 99 -6.782 -17.889 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.052 -16.210 -6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.303 -17.011 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.954 -16.483 -8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.313 -19.008 -8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.254 -19.289 -7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.679 -20.000 -10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.295 -19.394 -10.498 1.00 0.00 H new ATOM 1434 N CYS A 100 -7.895 -18.100 -4.973 1.00 0.00 N ATOM 1435 CA CYS A 100 -7.533 -19.137 -4.014 1.00 0.00 C ATOM 1436 C CYS A 100 -8.584 -19.253 -2.915 1.00 0.00 C ATOM 1437 O CYS A 100 -8.638 -18.428 -2.003 1.00 0.00 O ATOM 1438 CB CYS A 100 -6.165 -18.837 -3.399 1.00 0.00 C ATOM 1439 SG CYS A 100 -4.767 -19.402 -4.396 1.00 0.00 S ATOM 0 H CYS A 100 -8.204 -17.225 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 100 -7.484 -20.087 -4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -6.076 -17.762 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -6.110 -19.306 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 100 -3.655 -19.101 -3.794 1.00 0.00 H new ATOM 1445 N PHE A 101 -9.420 -20.282 -3.010 1.00 0.00 N ATOM 1446 CA PHE A 101 -10.473 -20.504 -2.025 1.00 0.00 C ATOM 1447 C PHE A 101 -9.885 -20.646 -0.624 1.00 0.00 C ATOM 1448 O PHE A 101 -8.926 -21.386 -0.413 1.00 0.00 O ATOM 1449 CB PHE A 101 -11.278 -21.756 -2.382 1.00 0.00 C ATOM 1450 CG PHE A 101 -12.371 -22.066 -1.399 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -13.486 -21.250 -1.303 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -12.282 -23.173 -0.571 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -14.494 -21.532 -0.401 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -13.286 -23.461 0.334 1.00 0.00 C ATOM 1455 CZ PHE A 101 -14.393 -22.639 0.420 1.00 0.00 C ATOM 0 H PHE A 101 -9.389 -20.975 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.136 -19.639 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.716 -21.627 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.601 -22.609 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.569 -20.383 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.418 -23.818 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -15.359 -20.889 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.205 -24.328 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.178 -22.861 1.128 1.00 0.00 H new ATOM 1465 N GLY A 102 -10.470 -19.929 0.332 1.00 0.00 N ATOM 1466 CA GLY A 102 -9.992 -19.988 1.700 1.00 0.00 C ATOM 1467 C GLY A 102 -11.100 -19.770 2.712 1.00 0.00 C ATOM 1468 O GLY A 102 -12.140 -19.197 2.388 1.00 0.00 O ATOM 0 H GLY A 102 -11.266 -19.309 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.528 -20.958 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.219 -19.233 1.844 1.00 0.00 H new TER 1472 GLY A 102