USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 21 LYS NZ :NH3+ 151:sc= -0.149 (180deg=-0.83) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl -174:sc= -4.33! (180deg=-0.831) USER MOD Set 2.2: A 14 HIS : no HE2:sc= -4.14! C(o=-8.5!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0463 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.165 X(o=0.17,f=-0.044) USER MOD Single : A 23 MET CE :methyl -140:sc= -6.26! (180deg=-11.9!) USER MOD Single : A 25 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-7.3!) USER MOD Single : A 27 MET CE :methyl -160:sc= -2.79! (180deg=-4.13!) USER MOD Single : A 37 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.38) USER MOD Single : A 47 CYS SG : rot -116:sc= -6.14! USER MOD Single : A 48 SER OG : rot 180:sc= -0.754 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= 0.0924 (180deg=-0.282) USER MOD Single : A 62 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-2.2) USER MOD Single : A 68 SER OG : rot 180:sc= -0.173 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -76:sc= -0.74! USER MOD Single : A 82 GLN : amide:sc= -0.982 K(o=-0.98,f=-2) USER MOD Single : A 83 THR OG1 : rot 119:sc= 0.464 USER MOD Single : A 93 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 97 GLN :FLIP amide:sc= -4.32! C(o=-9.3!,f=-4.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -142:sc= 1.58 USER MOD Single : A 106 GLN : amide:sc= -1.89 X(o=-1.9,f=-2.3) USER MOD Single : A 107 SER OG : rot 180:sc= -0.112 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.060 -5.604 -8.176 1.00 0.00 N ATOM 2 CA GLY A 1 27.587 -4.985 -9.379 1.00 0.00 C ATOM 3 C GLY A 1 28.930 -4.320 -9.147 1.00 0.00 C ATOM 4 O GLY A 1 29.229 -3.880 -8.038 1.00 0.00 O ATOM 0 H1 GLY A 1 26.052 -5.367 -8.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.168 -6.636 -8.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.582 -5.253 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.689 -5.740 -10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.876 -4.244 -9.744 1.00 0.00 H new ATOM 8 N SER A 2 29.741 -4.247 -10.198 1.00 0.00 N ATOM 9 CA SER A 2 31.061 -3.636 -10.103 1.00 0.00 C ATOM 10 C SER A 2 31.225 -2.532 -11.143 1.00 0.00 C ATOM 11 O SER A 2 31.548 -1.392 -10.809 1.00 0.00 O ATOM 12 CB SER A 2 32.151 -4.693 -10.289 1.00 0.00 C ATOM 13 OG SER A 2 32.413 -5.375 -9.075 1.00 0.00 O ATOM 0 H SER A 2 29.507 -4.603 -11.125 1.00 0.00 H new ATOM 0 HA SER A 2 31.159 -3.195 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.842 -5.408 -11.052 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.064 -4.219 -10.648 1.00 0.00 H new ATOM 0 HG SER A 2 33.112 -6.046 -9.221 1.00 0.00 H new ATOM 19 N SER A 3 31.000 -2.879 -12.406 1.00 0.00 N ATOM 20 CA SER A 3 31.126 -1.920 -13.497 1.00 0.00 C ATOM 21 C SER A 3 29.866 -1.068 -13.619 1.00 0.00 C ATOM 22 O SER A 3 28.754 -1.550 -13.407 1.00 0.00 O ATOM 23 CB SER A 3 31.393 -2.648 -14.816 1.00 0.00 C ATOM 24 OG SER A 3 32.068 -1.807 -15.735 1.00 0.00 O ATOM 0 H SER A 3 30.729 -3.818 -12.699 1.00 0.00 H new ATOM 0 HA SER A 3 31.968 -1.264 -13.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.990 -3.540 -14.628 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.450 -2.981 -15.248 1.00 0.00 H new ATOM 0 HG SER A 3 32.228 -2.296 -16.569 1.00 0.00 H new ATOM 30 N GLY A 4 30.050 0.203 -13.964 1.00 0.00 N ATOM 31 CA GLY A 4 28.920 1.103 -14.109 1.00 0.00 C ATOM 32 C GLY A 4 28.003 0.703 -15.247 1.00 0.00 C ATOM 33 O GLY A 4 28.450 0.516 -16.378 1.00 0.00 O ATOM 0 H GLY A 4 30.961 0.625 -14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.353 1.122 -13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.285 2.116 -14.280 1.00 0.00 H new ATOM 37 N SER A 5 26.714 0.570 -14.947 1.00 0.00 N ATOM 38 CA SER A 5 25.732 0.184 -15.953 1.00 0.00 C ATOM 39 C SER A 5 25.893 1.021 -17.219 1.00 0.00 C ATOM 40 O SER A 5 26.110 0.486 -18.306 1.00 0.00 O ATOM 41 CB SER A 5 24.314 0.344 -15.399 1.00 0.00 C ATOM 42 OG SER A 5 24.172 -0.329 -14.161 1.00 0.00 O ATOM 0 H SER A 5 26.326 0.724 -14.016 1.00 0.00 H new ATOM 0 HA SER A 5 25.900 -0.863 -16.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.088 1.402 -15.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.593 -0.050 -16.116 1.00 0.00 H new ATOM 0 HG SER A 5 23.258 -0.210 -13.827 1.00 0.00 H new ATOM 48 N SER A 6 25.784 2.337 -17.068 1.00 0.00 N ATOM 49 CA SER A 6 25.914 3.249 -18.199 1.00 0.00 C ATOM 50 C SER A 6 26.121 4.682 -17.720 1.00 0.00 C ATOM 51 O SER A 6 25.641 5.068 -16.655 1.00 0.00 O ATOM 52 CB SER A 6 24.672 3.171 -19.089 1.00 0.00 C ATOM 53 OG SER A 6 24.759 4.086 -20.167 1.00 0.00 O ATOM 0 H SER A 6 25.606 2.796 -16.174 1.00 0.00 H new ATOM 0 HA SER A 6 26.787 2.948 -18.778 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.561 2.158 -19.476 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.782 3.385 -18.497 1.00 0.00 H new ATOM 0 HG SER A 6 23.954 4.015 -20.722 1.00 0.00 H new ATOM 59 N GLY A 7 26.841 5.468 -18.516 1.00 0.00 N ATOM 60 CA GLY A 7 27.100 6.850 -18.158 1.00 0.00 C ATOM 61 C GLY A 7 28.230 6.987 -17.156 1.00 0.00 C ATOM 62 O GLY A 7 28.809 5.992 -16.724 1.00 0.00 O ATOM 0 H GLY A 7 27.249 5.172 -19.402 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.345 7.415 -19.057 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.194 7.290 -17.742 1.00 0.00 H new ATOM 66 N GLY A 8 28.545 8.225 -16.788 1.00 0.00 N ATOM 67 CA GLY A 8 29.613 8.466 -15.835 1.00 0.00 C ATOM 68 C GLY A 8 29.096 8.680 -14.427 1.00 0.00 C ATOM 69 O GLY A 8 28.714 7.737 -13.733 1.00 0.00 O ATOM 0 H GLY A 8 28.080 9.065 -17.132 1.00 0.00 H new ATOM 0 HA2 GLY A 8 30.300 7.620 -15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 8 30.183 9.341 -16.146 1.00 0.00 H new ATOM 73 N PRO A 9 29.082 9.946 -13.983 1.00 0.00 N ATOM 74 CA PRO A 9 28.611 10.310 -12.643 1.00 0.00 C ATOM 75 C PRO A 9 27.104 10.135 -12.491 1.00 0.00 C ATOM 76 O PRO A 9 26.322 10.742 -13.223 1.00 0.00 O ATOM 77 CB PRO A 9 28.994 11.787 -12.523 1.00 0.00 C ATOM 78 CG PRO A 9 29.048 12.281 -13.927 1.00 0.00 C ATOM 79 CD PRO A 9 29.523 11.119 -14.756 1.00 0.00 C ATOM 0 HA PRO A 9 29.049 9.678 -11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 9 28.260 12.340 -11.937 1.00 0.00 H new ATOM 0 HB3 PRO A 9 29.956 11.907 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 9 28.067 12.622 -14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.728 13.128 -14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.084 11.131 -15.754 1.00 0.00 H new ATOM 0 HD3 PRO A 9 30.605 11.132 -14.884 1.00 0.00 H new ATOM 87 N SER A 10 26.703 9.303 -11.535 1.00 0.00 N ATOM 88 CA SER A 10 25.289 9.046 -11.289 1.00 0.00 C ATOM 89 C SER A 10 24.704 10.091 -10.343 1.00 0.00 C ATOM 90 O SER A 10 25.171 10.254 -9.216 1.00 0.00 O ATOM 91 CB SER A 10 25.097 7.646 -10.703 1.00 0.00 C ATOM 92 OG SER A 10 25.613 6.654 -11.573 1.00 0.00 O ATOM 0 H SER A 10 27.337 8.795 -10.918 1.00 0.00 H new ATOM 0 HA SER A 10 24.763 9.108 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 10 25.596 7.581 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.037 7.464 -10.527 1.00 0.00 H new ATOM 0 HG SER A 10 25.480 5.768 -11.175 1.00 0.00 H new ATOM 98 N ARG A 11 23.679 10.796 -10.811 1.00 0.00 N ATOM 99 CA ARG A 11 23.030 11.826 -10.009 1.00 0.00 C ATOM 100 C ARG A 11 21.525 11.587 -9.931 1.00 0.00 C ATOM 101 O ARG A 11 20.730 12.501 -10.146 1.00 0.00 O ATOM 102 CB ARG A 11 23.308 13.211 -10.596 1.00 0.00 C ATOM 103 CG ARG A 11 24.775 13.607 -10.554 1.00 0.00 C ATOM 104 CD ARG A 11 24.954 15.103 -10.763 1.00 0.00 C ATOM 105 NE ARG A 11 26.306 15.544 -10.430 1.00 0.00 N ATOM 106 CZ ARG A 11 26.820 16.702 -10.828 1.00 0.00 C ATOM 107 NH1 ARG A 11 26.099 17.531 -11.571 1.00 0.00 N ATOM 108 NH2 ARG A 11 28.058 17.033 -10.484 1.00 0.00 N ATOM 0 H ARG A 11 23.280 10.673 -11.742 1.00 0.00 H new ATOM 0 HA ARG A 11 23.441 11.778 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.964 13.234 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.725 13.952 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 11 25.204 13.319 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 11 25.322 13.063 -11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.737 15.353 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.235 15.644 -10.148 1.00 0.00 H new ATOM 0 HE ARG A 11 26.887 14.929 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.147 17.280 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.496 18.420 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 11 28.616 16.398 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.452 17.923 -10.790 1.00 0.00 H new ATOM 122 N MET A 12 21.142 10.352 -9.624 1.00 0.00 N ATOM 123 CA MET A 12 19.733 9.994 -9.517 1.00 0.00 C ATOM 124 C MET A 12 19.223 10.206 -8.095 1.00 0.00 C ATOM 125 O MET A 12 19.597 9.477 -7.177 1.00 0.00 O ATOM 126 CB MET A 12 19.522 8.537 -9.935 1.00 0.00 C ATOM 127 CG MET A 12 19.307 8.357 -11.429 1.00 0.00 C ATOM 128 SD MET A 12 17.891 9.291 -12.043 1.00 0.00 S ATOM 129 CE MET A 12 16.605 8.726 -10.932 1.00 0.00 C ATOM 0 H MET A 12 21.788 9.583 -9.445 1.00 0.00 H new ATOM 0 HA MET A 12 19.168 10.643 -10.186 1.00 0.00 H new ATOM 0 HB2 MET A 12 20.388 7.951 -9.628 1.00 0.00 H new ATOM 0 HB3 MET A 12 18.660 8.136 -9.402 1.00 0.00 H new ATOM 0 HG2 MET A 12 20.204 8.672 -11.962 1.00 0.00 H new ATOM 0 HG3 MET A 12 19.162 7.299 -11.647 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.645 9.132 -11.250 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.562 7.637 -10.949 1.00 0.00 H new ATOM 0 HE3 MET A 12 16.824 9.065 -9.919 1.00 0.00 H new ATOM 139 N ARG A 13 18.369 11.209 -7.921 1.00 0.00 N ATOM 140 CA ARG A 13 17.810 11.518 -6.611 1.00 0.00 C ATOM 141 C ARG A 13 16.366 11.036 -6.508 1.00 0.00 C ATOM 142 O ARG A 13 15.443 11.703 -6.979 1.00 0.00 O ATOM 143 CB ARG A 13 17.877 13.023 -6.346 1.00 0.00 C ATOM 144 CG ARG A 13 19.287 13.589 -6.397 1.00 0.00 C ATOM 145 CD ARG A 13 19.277 15.109 -6.413 1.00 0.00 C ATOM 146 NE ARG A 13 19.172 15.641 -7.770 1.00 0.00 N ATOM 147 CZ ARG A 13 20.199 15.728 -8.607 1.00 0.00 C ATOM 148 NH1 ARG A 13 21.403 15.320 -8.229 1.00 0.00 N ATOM 149 NH2 ARG A 13 20.024 16.224 -9.825 1.00 0.00 N ATOM 0 H ARG A 13 18.049 11.822 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 13 18.403 10.997 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.260 13.540 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.447 13.230 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.853 13.237 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.797 13.218 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.441 15.472 -5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.189 15.483 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 13 18.259 15.963 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.542 14.938 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.190 15.388 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.100 16.539 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.814 16.290 -10.467 1.00 0.00 H new ATOM 163 N HIS A 14 16.177 9.874 -5.891 1.00 0.00 N ATOM 164 CA HIS A 14 14.845 9.303 -5.727 1.00 0.00 C ATOM 165 C HIS A 14 14.219 9.755 -4.411 1.00 0.00 C ATOM 166 O HIS A 14 13.640 8.951 -3.681 1.00 0.00 O ATOM 167 CB HIS A 14 14.913 7.776 -5.775 1.00 0.00 C ATOM 168 CG HIS A 14 15.703 7.248 -6.933 1.00 0.00 C ATOM 169 ND1 HIS A 14 16.760 6.375 -6.786 1.00 0.00 N ATOM 170 CD2 HIS A 14 15.585 7.473 -8.262 1.00 0.00 C ATOM 171 CE1 HIS A 14 17.258 6.087 -7.975 1.00 0.00 C ATOM 172 NE2 HIS A 14 16.563 6.740 -8.888 1.00 0.00 N ATOM 0 H HIS A 14 16.929 9.309 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 14 14.220 9.658 -6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.355 7.411 -4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.900 7.377 -5.825 1.00 0.00 H new ATOM 0 HD1 HIS A 14 17.104 6.009 -5.898 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.857 8.111 -8.741 1.00 0.00 H new ATOM 0 HE1 HIS A 14 18.092 5.429 -8.168 1.00 0.00 H new ATOM 180 N GLU A 15 14.340 11.045 -4.116 1.00 0.00 N ATOM 181 CA GLU A 15 13.787 11.602 -2.887 1.00 0.00 C ATOM 182 C GLU A 15 12.332 12.018 -3.085 1.00 0.00 C ATOM 183 O GLU A 15 11.921 13.097 -2.658 1.00 0.00 O ATOM 184 CB GLU A 15 14.615 12.804 -2.427 1.00 0.00 C ATOM 185 CG GLU A 15 14.374 13.191 -0.978 1.00 0.00 C ATOM 186 CD GLU A 15 14.624 14.664 -0.718 1.00 0.00 C ATOM 187 OE1 GLU A 15 15.804 15.071 -0.700 1.00 0.00 O ATOM 188 OE2 GLU A 15 13.639 15.409 -0.532 1.00 0.00 O ATOM 0 H GLU A 15 14.816 11.724 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 15 13.825 10.829 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.673 12.579 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.386 13.658 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.347 12.947 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.023 12.597 -0.334 1.00 0.00 H new ATOM 195 N ARG A 16 11.559 11.155 -3.735 1.00 0.00 N ATOM 196 CA ARG A 16 10.151 11.432 -3.992 1.00 0.00 C ATOM 197 C ARG A 16 9.261 10.388 -3.325 1.00 0.00 C ATOM 198 O ARG A 16 8.476 9.711 -3.989 1.00 0.00 O ATOM 199 CB ARG A 16 9.882 11.462 -5.497 1.00 0.00 C ATOM 200 CG ARG A 16 10.875 12.307 -6.278 1.00 0.00 C ATOM 201 CD ARG A 16 10.976 13.714 -5.710 1.00 0.00 C ATOM 202 NE ARG A 16 12.057 14.477 -6.328 1.00 0.00 N ATOM 203 CZ ARG A 16 12.389 15.710 -5.961 1.00 0.00 C ATOM 204 NH1 ARG A 16 11.728 16.315 -4.984 1.00 0.00 N ATOM 205 NH2 ARG A 16 13.385 16.340 -6.571 1.00 0.00 N ATOM 0 H ARG A 16 11.884 10.257 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 16 9.915 12.408 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.904 10.442 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.877 11.846 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.856 11.833 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.570 12.356 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.031 14.235 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.140 13.660 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 16 12.586 14.040 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.962 15.834 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.985 17.262 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.897 15.878 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.639 17.287 -6.288 1.00 0.00 H new ATOM 219 N VAL A 17 9.389 10.263 -2.008 1.00 0.00 N ATOM 220 CA VAL A 17 8.596 9.302 -1.251 1.00 0.00 C ATOM 221 C VAL A 17 7.497 10.000 -0.458 1.00 0.00 C ATOM 222 O VAL A 17 7.734 11.023 0.184 1.00 0.00 O ATOM 223 CB VAL A 17 9.475 8.488 -0.282 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.616 7.577 0.581 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.513 7.685 -1.051 1.00 0.00 C ATOM 0 H VAL A 17 10.034 10.815 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 17 8.143 8.625 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 17 10.000 9.182 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.254 7.010 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.916 8.179 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.062 6.888 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.125 7.116 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.010 7.000 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.149 8.363 -1.621 1.00 0.00 H new ATOM 235 N VAL A 18 6.292 9.439 -0.507 1.00 0.00 N ATOM 236 CA VAL A 18 5.156 10.007 0.208 1.00 0.00 C ATOM 237 C VAL A 18 4.693 9.081 1.328 1.00 0.00 C ATOM 238 O VAL A 18 4.734 7.858 1.193 1.00 0.00 O ATOM 239 CB VAL A 18 3.973 10.277 -0.741 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.467 10.857 -2.058 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.178 9.001 -0.976 1.00 0.00 C ATOM 0 H VAL A 18 6.078 8.592 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 18 5.492 10.952 0.636 1.00 0.00 H new ATOM 0 HB VAL A 18 3.314 11.009 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.618 11.041 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.990 11.795 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.148 10.151 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.346 9.209 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.825 8.246 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.793 8.632 -0.025 1.00 0.00 H new ATOM 251 N ILE A 19 4.252 9.673 2.433 1.00 0.00 N ATOM 252 CA ILE A 19 3.780 8.901 3.576 1.00 0.00 C ATOM 253 C ILE A 19 2.261 8.967 3.694 1.00 0.00 C ATOM 254 O ILE A 19 1.638 9.942 3.273 1.00 0.00 O ATOM 255 CB ILE A 19 4.409 9.400 4.891 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.917 9.590 4.720 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.116 8.424 6.021 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.596 8.436 4.017 1.00 0.00 C ATOM 0 H ILE A 19 4.212 10.684 2.561 1.00 0.00 H new ATOM 0 HA ILE A 19 4.084 7.868 3.407 1.00 0.00 H new ATOM 0 HB ILE A 19 3.968 10.364 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.098 10.505 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.372 9.725 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.567 8.790 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.038 8.335 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.533 7.447 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.663 8.640 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.446 7.521 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.168 8.314 3.022 1.00 0.00 H new ATOM 270 N ILE A 20 1.673 7.925 4.272 1.00 0.00 N ATOM 271 CA ILE A 20 0.227 7.867 4.448 1.00 0.00 C ATOM 272 C ILE A 20 -0.137 7.464 5.873 1.00 0.00 C ATOM 273 O ILE A 20 0.408 6.503 6.417 1.00 0.00 O ATOM 274 CB ILE A 20 -0.421 6.874 3.465 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.190 7.031 2.071 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.927 7.082 3.417 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.385 8.191 1.288 1.00 0.00 C ATOM 0 H ILE A 20 2.175 7.111 4.626 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.156 8.867 4.246 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.226 5.860 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.267 7.167 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.034 6.110 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.370 6.373 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.348 6.924 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.144 8.099 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.094 8.243 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.458 8.047 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.206 9.120 1.829 1.00 0.00 H new ATOM 289 N LYS A 21 -1.063 8.205 6.473 1.00 0.00 N ATOM 290 CA LYS A 21 -1.503 7.924 7.835 1.00 0.00 C ATOM 291 C LYS A 21 -2.979 7.541 7.861 1.00 0.00 C ATOM 292 O LYS A 21 -3.759 7.980 7.016 1.00 0.00 O ATOM 293 CB LYS A 21 -1.266 9.142 8.730 1.00 0.00 C ATOM 294 CG LYS A 21 0.198 9.521 8.867 1.00 0.00 C ATOM 295 CD LYS A 21 1.064 8.305 9.150 1.00 0.00 C ATOM 296 CE LYS A 21 2.279 8.669 9.990 1.00 0.00 C ATOM 297 NZ LYS A 21 1.890 9.222 11.317 1.00 0.00 N ATOM 0 H LYS A 21 -1.523 9.004 6.038 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.921 7.084 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.816 9.992 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.674 8.940 9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.537 10.005 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.313 10.246 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.474 7.550 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.390 7.862 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.900 7.785 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.885 9.401 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.631 9.006 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.774 10.253 11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.993 8.794 11.622 1.00 0.00 H new ATOM 311 N ASN A 22 -3.356 6.720 8.836 1.00 0.00 N ATOM 312 CA ASN A 22 -4.739 6.278 8.972 1.00 0.00 C ATOM 313 C ASN A 22 -5.210 5.567 7.707 1.00 0.00 C ATOM 314 O ASN A 22 -6.259 5.894 7.154 1.00 0.00 O ATOM 315 CB ASN A 22 -5.650 7.471 9.270 1.00 0.00 C ATOM 316 CG ASN A 22 -6.849 7.086 10.115 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.702 6.600 11.236 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.045 7.302 9.578 1.00 0.00 N ATOM 0 H ASN A 22 -2.723 6.347 9.544 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.790 5.574 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.078 8.242 9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.995 7.905 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.889 7.063 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.119 7.707 8.645 1.00 0.00 H new ATOM 325 N MET A 23 -4.427 4.593 7.256 1.00 0.00 N ATOM 326 CA MET A 23 -4.765 3.835 6.057 1.00 0.00 C ATOM 327 C MET A 23 -4.857 2.344 6.365 1.00 0.00 C ATOM 328 O MET A 23 -5.460 1.580 5.611 1.00 0.00 O ATOM 329 CB MET A 23 -3.723 4.078 4.963 1.00 0.00 C ATOM 330 CG MET A 23 -2.317 3.655 5.358 1.00 0.00 C ATOM 331 SD MET A 23 -1.293 3.237 3.934 1.00 0.00 S ATOM 332 CE MET A 23 -2.225 1.878 3.233 1.00 0.00 C ATOM 0 H MET A 23 -3.555 4.310 7.702 1.00 0.00 H new ATOM 0 HA MET A 23 -5.738 4.176 5.704 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.018 3.535 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.717 5.138 4.708 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.843 4.461 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.374 2.795 6.025 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.538 1.105 2.888 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.888 1.462 3.992 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.817 2.239 2.392 1.00 0.00 H new ATOM 342 N PHE A 24 -4.254 1.935 7.477 1.00 0.00 N ATOM 343 CA PHE A 24 -4.267 0.535 7.884 1.00 0.00 C ATOM 344 C PHE A 24 -3.867 0.391 9.349 1.00 0.00 C ATOM 345 O PHE A 24 -3.475 1.362 9.996 1.00 0.00 O ATOM 346 CB PHE A 24 -3.322 -0.283 7.002 1.00 0.00 C ATOM 347 CG PHE A 24 -1.870 0.027 7.231 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.233 -0.390 8.389 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.142 0.734 6.288 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.102 -0.105 8.602 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.194 1.022 6.495 1.00 0.00 C ATOM 352 CZ PHE A 24 0.817 0.600 7.654 1.00 0.00 C ATOM 0 H PHE A 24 -3.750 2.554 8.112 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.282 0.157 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.492 -1.344 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.564 -0.099 5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.786 -0.944 9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.624 1.064 5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.586 -0.434 9.510 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.750 1.576 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.861 0.821 7.818 1.00 0.00 H new ATOM 362 N HIS A 25 -3.968 -0.830 9.866 1.00 0.00 N ATOM 363 CA HIS A 25 -3.617 -1.103 11.256 1.00 0.00 C ATOM 364 C HIS A 25 -2.940 -2.464 11.387 1.00 0.00 C ATOM 365 O HIS A 25 -3.322 -3.439 10.741 1.00 0.00 O ATOM 366 CB HIS A 25 -4.864 -1.053 12.139 1.00 0.00 C ATOM 367 CG HIS A 25 -4.580 -0.656 13.555 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.342 -1.571 14.559 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.494 0.565 14.132 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.124 -0.930 15.693 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.210 0.368 15.461 1.00 0.00 N ATOM 0 H HIS A 25 -4.290 -1.645 9.344 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.917 -0.335 11.586 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.576 -0.349 11.709 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.342 -2.032 12.134 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.624 1.517 13.639 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.912 -1.389 16.647 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.086 1.104 16.156 1.00 0.00 H new ATOM 379 N PRO A 26 -1.910 -2.533 12.244 1.00 0.00 N ATOM 380 CA PRO A 26 -1.158 -3.769 12.480 1.00 0.00 C ATOM 381 C PRO A 26 -1.979 -4.812 13.230 1.00 0.00 C ATOM 382 O PRO A 26 -1.481 -5.888 13.559 1.00 0.00 O ATOM 383 CB PRO A 26 0.026 -3.306 13.332 1.00 0.00 C ATOM 384 CG PRO A 26 -0.455 -2.072 14.012 1.00 0.00 C ATOM 385 CD PRO A 26 -1.400 -1.409 13.048 1.00 0.00 C ATOM 0 HA PRO A 26 -0.866 -4.254 11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.316 -4.069 14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.901 -3.102 12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.958 -2.313 14.948 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.377 -1.413 14.258 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.205 -0.889 13.568 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.890 -0.671 12.429 1.00 0.00 H new ATOM 393 N MET A 27 -3.239 -4.486 13.498 1.00 0.00 N ATOM 394 CA MET A 27 -4.129 -5.397 14.208 1.00 0.00 C ATOM 395 C MET A 27 -4.987 -6.193 13.230 1.00 0.00 C ATOM 396 O MET A 27 -5.382 -7.324 13.514 1.00 0.00 O ATOM 397 CB MET A 27 -5.026 -4.619 15.173 1.00 0.00 C ATOM 398 CG MET A 27 -5.827 -5.508 16.110 1.00 0.00 C ATOM 399 SD MET A 27 -4.957 -5.855 17.651 1.00 0.00 S ATOM 400 CE MET A 27 -3.590 -6.845 17.054 1.00 0.00 C ATOM 0 H MET A 27 -3.667 -3.598 13.234 1.00 0.00 H new ATOM 0 HA MET A 27 -3.514 -6.095 14.776 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.409 -3.944 15.766 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.714 -3.999 14.597 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.779 -5.027 16.335 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.055 -6.447 15.607 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.172 -7.423 17.878 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.944 -7.523 16.277 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.820 -6.192 16.642 1.00 0.00 H new ATOM 410 N ASP A 28 -5.270 -5.596 12.077 1.00 0.00 N ATOM 411 CA ASP A 28 -6.080 -6.250 11.056 1.00 0.00 C ATOM 412 C ASP A 28 -5.307 -7.386 10.394 1.00 0.00 C ATOM 413 O ASP A 28 -5.881 -8.413 10.031 1.00 0.00 O ATOM 414 CB ASP A 28 -6.525 -5.237 10.001 1.00 0.00 C ATOM 415 CG ASP A 28 -7.727 -4.427 10.445 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.966 -4.342 11.668 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.428 -3.878 9.570 1.00 0.00 O ATOM 0 H ASP A 28 -4.950 -4.660 11.826 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.962 -6.669 11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.698 -4.562 9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.766 -5.762 9.077 1.00 0.00 H new ATOM 422 N PHE A 29 -4.001 -7.195 10.240 1.00 0.00 N ATOM 423 CA PHE A 29 -3.148 -8.203 9.620 1.00 0.00 C ATOM 424 C PHE A 29 -3.006 -9.425 10.523 1.00 0.00 C ATOM 425 O PHE A 29 -2.768 -10.535 10.048 1.00 0.00 O ATOM 426 CB PHE A 29 -1.768 -7.616 9.315 1.00 0.00 C ATOM 427 CG PHE A 29 -1.813 -6.187 8.856 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.778 -5.763 7.957 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.889 -5.266 9.324 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.821 -4.449 7.533 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.927 -3.950 8.904 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.895 -3.541 8.007 1.00 0.00 C ATOM 0 H PHE A 29 -3.510 -6.351 10.536 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.616 -8.516 8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.148 -7.683 10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.286 -8.221 8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.505 -6.468 7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.130 -5.581 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.578 -4.132 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.201 -3.242 9.276 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.927 -2.513 7.677 1.00 0.00 H new ATOM 442 N GLU A 30 -3.152 -9.210 11.826 1.00 0.00 N ATOM 443 CA GLU A 30 -3.038 -10.294 12.796 1.00 0.00 C ATOM 444 C GLU A 30 -4.214 -11.259 12.673 1.00 0.00 C ATOM 445 O GLU A 30 -4.092 -12.444 12.983 1.00 0.00 O ATOM 446 CB GLU A 30 -2.972 -9.731 14.217 1.00 0.00 C ATOM 447 CG GLU A 30 -1.827 -8.757 14.433 1.00 0.00 C ATOM 448 CD GLU A 30 -0.556 -9.443 14.897 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.558 -10.001 16.014 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.439 -9.422 14.144 1.00 0.00 O ATOM 0 H GLU A 30 -3.349 -8.297 12.235 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.118 -10.840 12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.913 -9.229 14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.873 -10.557 14.922 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.629 -8.223 13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.123 -8.012 15.171 1.00 0.00 H new ATOM 457 N ASP A 31 -5.351 -10.742 12.221 1.00 0.00 N ATOM 458 CA ASP A 31 -6.549 -11.558 12.056 1.00 0.00 C ATOM 459 C ASP A 31 -6.587 -12.195 10.671 1.00 0.00 C ATOM 460 O ASP A 31 -7.030 -13.333 10.512 1.00 0.00 O ATOM 461 CB ASP A 31 -7.803 -10.709 12.276 1.00 0.00 C ATOM 462 CG ASP A 31 -9.049 -11.554 12.456 1.00 0.00 C ATOM 463 OD1 ASP A 31 -8.995 -12.533 13.229 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.078 -11.235 11.825 1.00 0.00 O ATOM 0 H ASP A 31 -5.469 -9.762 11.962 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.522 -12.354 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.663 -10.081 13.156 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.940 -10.041 11.426 1.00 0.00 H new ATOM 469 N ASP A 32 -6.121 -11.454 9.672 1.00 0.00 N ATOM 470 CA ASP A 32 -6.101 -11.947 8.299 1.00 0.00 C ATOM 471 C ASP A 32 -5.125 -11.142 7.447 1.00 0.00 C ATOM 472 O ASP A 32 -5.014 -9.922 7.571 1.00 0.00 O ATOM 473 CB ASP A 32 -7.503 -11.881 7.691 1.00 0.00 C ATOM 474 CG ASP A 32 -8.298 -13.149 7.929 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.720 -14.247 7.789 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.498 -13.044 8.257 1.00 0.00 O ATOM 0 H ASP A 32 -5.752 -10.510 9.787 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.769 -12.985 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.041 -11.034 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.423 -11.702 6.619 1.00 0.00 H new ATOM 481 N PRO A 33 -4.399 -11.839 6.560 1.00 0.00 N ATOM 482 CA PRO A 33 -3.419 -11.210 5.671 1.00 0.00 C ATOM 483 C PRO A 33 -4.078 -10.347 4.600 1.00 0.00 C ATOM 484 O PRO A 33 -3.582 -9.271 4.264 1.00 0.00 O ATOM 485 CB PRO A 33 -2.703 -12.403 5.031 1.00 0.00 C ATOM 486 CG PRO A 33 -3.691 -13.517 5.097 1.00 0.00 C ATOM 487 CD PRO A 33 -4.480 -13.296 6.358 1.00 0.00 C ATOM 0 HA PRO A 33 -2.754 -10.535 6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.417 -12.188 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.789 -12.652 5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.343 -13.513 4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.188 -14.484 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.512 -13.630 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.054 -13.843 7.199 1.00 0.00 H new ATOM 495 N LEU A 34 -5.197 -10.826 4.067 1.00 0.00 N ATOM 496 CA LEU A 34 -5.925 -10.097 3.034 1.00 0.00 C ATOM 497 C LEU A 34 -5.888 -8.595 3.298 1.00 0.00 C ATOM 498 O LEU A 34 -5.578 -7.805 2.407 1.00 0.00 O ATOM 499 CB LEU A 34 -7.375 -10.579 2.968 1.00 0.00 C ATOM 500 CG LEU A 34 -7.617 -11.872 2.188 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.720 -11.586 0.698 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.508 -12.877 2.464 1.00 0.00 C ATOM 0 H LEU A 34 -5.620 -11.715 4.333 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.440 -10.291 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.737 -10.719 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.979 -9.790 2.521 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.562 -12.302 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.892 -12.518 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.549 -10.903 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.792 -11.132 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.697 -13.791 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.550 -12.455 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.482 -13.106 3.529 1.00 0.00 H new ATOM 514 N VAL A 35 -6.205 -8.208 4.530 1.00 0.00 N ATOM 515 CA VAL A 35 -6.205 -6.801 4.913 1.00 0.00 C ATOM 516 C VAL A 35 -4.974 -6.084 4.371 1.00 0.00 C ATOM 517 O VAL A 35 -5.087 -5.099 3.641 1.00 0.00 O ATOM 518 CB VAL A 35 -6.250 -6.637 6.444 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.227 -5.164 6.824 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.479 -7.325 7.018 1.00 0.00 C ATOM 0 H VAL A 35 -6.465 -8.849 5.280 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.101 -6.355 4.481 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.365 -7.111 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.259 -5.068 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.313 -4.705 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.092 -4.663 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.494 -7.199 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.378 -6.882 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.447 -8.388 6.777 1.00 0.00 H new ATOM 530 N LEU A 36 -3.798 -6.584 4.734 1.00 0.00 N ATOM 531 CA LEU A 36 -2.543 -5.992 4.283 1.00 0.00 C ATOM 532 C LEU A 36 -2.387 -6.130 2.772 1.00 0.00 C ATOM 533 O LEU A 36 -1.825 -5.256 2.114 1.00 0.00 O ATOM 534 CB LEU A 36 -1.360 -6.654 4.993 1.00 0.00 C ATOM 535 CG LEU A 36 -0.042 -5.878 4.966 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.063 -4.755 5.991 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.131 -6.813 5.220 1.00 0.00 C ATOM 0 H LEU A 36 -3.687 -7.398 5.339 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.560 -4.931 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.636 -6.826 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.192 -7.632 4.542 1.00 0.00 H new ATOM 0 HG LEU A 36 0.078 -5.436 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.883 -4.214 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.881 -4.071 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.206 -5.174 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.061 -6.245 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.017 -7.283 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.157 -7.582 4.448 1.00 0.00 H new ATOM 549 N ASN A 37 -2.890 -7.234 2.229 1.00 0.00 N ATOM 550 CA ASN A 37 -2.807 -7.487 0.795 1.00 0.00 C ATOM 551 C ASN A 37 -3.553 -6.412 0.010 1.00 0.00 C ATOM 552 O ASN A 37 -2.954 -5.671 -0.768 1.00 0.00 O ATOM 553 CB ASN A 37 -3.381 -8.866 0.465 1.00 0.00 C ATOM 554 CG ASN A 37 -2.368 -9.977 0.666 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.226 -9.879 0.219 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.784 -11.041 1.343 1.00 0.00 N ATOM 0 H ASN A 37 -3.359 -7.968 2.760 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.756 -7.460 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.252 -9.054 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.726 -8.875 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.147 -11.820 1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.740 -11.079 1.695 1.00 0.00 H new ATOM 563 N GLU A 38 -4.863 -6.335 0.221 1.00 0.00 N ATOM 564 CA GLU A 38 -5.691 -5.351 -0.467 1.00 0.00 C ATOM 565 C GLU A 38 -5.143 -3.941 -0.263 1.00 0.00 C ATOM 566 O GLU A 38 -5.064 -3.152 -1.205 1.00 0.00 O ATOM 567 CB GLU A 38 -7.135 -5.426 0.034 1.00 0.00 C ATOM 568 CG GLU A 38 -7.260 -5.951 1.454 1.00 0.00 C ATOM 569 CD GLU A 38 -8.445 -5.359 2.192 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.594 -5.672 1.815 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.224 -4.584 3.146 1.00 0.00 O ATOM 0 H GLU A 38 -5.374 -6.942 0.862 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.672 -5.580 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.581 -4.433 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.709 -6.068 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.358 -7.036 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.345 -5.726 2.003 1.00 0.00 H new ATOM 578 N ILE A 39 -4.767 -3.632 0.974 1.00 0.00 N ATOM 579 CA ILE A 39 -4.226 -2.319 1.301 1.00 0.00 C ATOM 580 C ILE A 39 -2.941 -2.045 0.528 1.00 0.00 C ATOM 581 O ILE A 39 -2.813 -1.018 -0.140 1.00 0.00 O ATOM 582 CB ILE A 39 -3.943 -2.187 2.809 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.243 -2.302 3.607 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.250 -0.865 3.105 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.028 -2.598 5.075 1.00 0.00 C ATOM 0 H ILE A 39 -4.827 -4.273 1.765 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.981 -1.587 1.016 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.280 -2.998 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.802 -1.371 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.858 -3.090 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.057 -0.787 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.306 -0.819 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.890 -0.040 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.993 -2.666 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.496 -3.544 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.440 -1.798 5.525 1.00 0.00 H new ATOM 597 N ARG A 40 -1.991 -2.970 0.622 1.00 0.00 N ATOM 598 CA ARG A 40 -0.716 -2.828 -0.069 1.00 0.00 C ATOM 599 C ARG A 40 -0.930 -2.563 -1.557 1.00 0.00 C ATOM 600 O ARG A 40 -0.528 -1.522 -2.075 1.00 0.00 O ATOM 601 CB ARG A 40 0.132 -4.088 0.118 1.00 0.00 C ATOM 602 CG ARG A 40 1.601 -3.888 -0.218 1.00 0.00 C ATOM 603 CD ARG A 40 2.304 -5.216 -0.454 1.00 0.00 C ATOM 604 NE ARG A 40 2.649 -5.883 0.798 1.00 0.00 N ATOM 605 CZ ARG A 40 3.209 -7.086 0.860 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.486 -7.750 -0.254 1.00 0.00 N ATOM 607 NH2 ARG A 40 3.493 -7.627 2.038 1.00 0.00 N ATOM 0 H ARG A 40 -2.081 -3.826 1.170 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.190 -1.976 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.047 -4.423 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.271 -4.883 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.690 -3.265 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.092 -3.355 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.660 -5.867 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.210 -5.048 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 40 2.449 -5.399 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.269 -7.337 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.916 -8.674 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.281 -7.119 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.923 -8.551 2.085 1.00 0.00 H new ATOM 621 N GLU A 41 -1.565 -3.512 -2.237 1.00 0.00 N ATOM 622 CA GLU A 41 -1.831 -3.380 -3.664 1.00 0.00 C ATOM 623 C GLU A 41 -2.569 -2.078 -3.963 1.00 0.00 C ATOM 624 O GLU A 41 -2.325 -1.434 -4.983 1.00 0.00 O ATOM 625 CB GLU A 41 -2.652 -4.571 -4.165 1.00 0.00 C ATOM 626 CG GLU A 41 -4.153 -4.343 -4.103 1.00 0.00 C ATOM 627 CD GLU A 41 -4.943 -5.636 -4.183 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.508 -6.636 -3.575 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.996 -5.646 -4.854 1.00 0.00 O ATOM 0 H GLU A 41 -1.905 -4.380 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.874 -3.362 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.368 -4.790 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.401 -5.450 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.400 -3.827 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.451 -3.688 -4.921 1.00 0.00 H new ATOM 636 N ASP A 42 -3.471 -1.698 -3.065 1.00 0.00 N ATOM 637 CA ASP A 42 -4.245 -0.473 -3.231 1.00 0.00 C ATOM 638 C ASP A 42 -3.326 0.740 -3.340 1.00 0.00 C ATOM 639 O ASP A 42 -3.538 1.620 -4.175 1.00 0.00 O ATOM 640 CB ASP A 42 -5.212 -0.292 -2.060 1.00 0.00 C ATOM 641 CG ASP A 42 -6.559 -0.937 -2.317 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.988 -0.968 -3.489 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.186 -1.411 -1.345 1.00 0.00 O ATOM 0 H ASP A 42 -3.684 -2.220 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.817 -0.557 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.772 -0.722 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.352 0.772 -1.870 1.00 0.00 H new ATOM 648 N LEU A 43 -2.305 0.780 -2.490 1.00 0.00 N ATOM 649 CA LEU A 43 -1.353 1.885 -2.489 1.00 0.00 C ATOM 650 C LEU A 43 -0.490 1.861 -3.747 1.00 0.00 C ATOM 651 O LEU A 43 0.009 2.896 -4.188 1.00 0.00 O ATOM 652 CB LEU A 43 -0.465 1.819 -1.246 1.00 0.00 C ATOM 653 CG LEU A 43 -0.958 2.600 -0.027 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.023 2.462 1.128 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.165 4.065 -0.380 1.00 0.00 C ATOM 0 H LEU A 43 -2.116 0.060 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.917 2.818 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.351 0.773 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.526 2.187 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.916 2.183 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.344 3.024 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.122 1.411 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.996 2.852 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.516 4.605 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.222 4.495 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.906 4.146 -1.175 1.00 0.00 H new ATOM 667 N ARG A 44 -0.321 0.674 -4.319 1.00 0.00 N ATOM 668 CA ARG A 44 0.481 0.515 -5.526 1.00 0.00 C ATOM 669 C ARG A 44 -0.346 0.816 -6.772 1.00 0.00 C ATOM 670 O ARG A 44 0.194 1.186 -7.815 1.00 0.00 O ATOM 671 CB ARG A 44 1.046 -0.904 -5.606 1.00 0.00 C ATOM 672 CG ARG A 44 2.360 -0.995 -6.364 1.00 0.00 C ATOM 673 CD ARG A 44 3.152 -2.229 -5.960 1.00 0.00 C ATOM 674 NE ARG A 44 4.268 -2.484 -6.866 1.00 0.00 N ATOM 675 CZ ARG A 44 4.125 -3.001 -8.082 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.919 -3.316 -8.534 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.190 -3.203 -8.847 1.00 0.00 N ATOM 0 H ARG A 44 -0.729 -0.192 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 44 1.307 1.225 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.192 -1.285 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.313 -1.551 -6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.162 -1.023 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.954 -0.101 -6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.530 -2.101 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.491 -3.096 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 44 5.209 -2.253 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.098 -3.162 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.812 -3.713 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.119 -2.962 -8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.080 -3.600 -9.780 1.00 0.00 H new ATOM 691 N VAL A 45 -1.661 0.654 -6.657 1.00 0.00 N ATOM 692 CA VAL A 45 -2.563 0.909 -7.773 1.00 0.00 C ATOM 693 C VAL A 45 -3.100 2.335 -7.731 1.00 0.00 C ATOM 694 O VAL A 45 -3.489 2.892 -8.757 1.00 0.00 O ATOM 695 CB VAL A 45 -3.749 -0.075 -7.772 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.273 -1.484 -7.454 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.812 0.374 -6.781 1.00 0.00 C ATOM 0 H VAL A 45 -2.125 0.347 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.985 0.769 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.193 -0.083 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.124 -2.165 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.550 -1.802 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.803 -1.496 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.642 -0.332 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.383 0.412 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.174 1.364 -7.059 1.00 0.00 H new ATOM 707 N GLU A 46 -3.118 2.920 -6.538 1.00 0.00 N ATOM 708 CA GLU A 46 -3.608 4.282 -6.363 1.00 0.00 C ATOM 709 C GLU A 46 -2.558 5.299 -6.801 1.00 0.00 C ATOM 710 O GLU A 46 -2.867 6.265 -7.499 1.00 0.00 O ATOM 711 CB GLU A 46 -3.992 4.526 -4.902 1.00 0.00 C ATOM 712 CG GLU A 46 -2.827 4.969 -4.032 1.00 0.00 C ATOM 713 CD GLU A 46 -3.265 5.400 -2.646 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.467 5.264 -2.335 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.406 5.873 -1.872 1.00 0.00 O ATOM 0 H GLU A 46 -2.799 2.472 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.492 4.406 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.773 5.285 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.416 3.611 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.112 4.151 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.309 5.795 -4.519 1.00 0.00 H new ATOM 722 N CYS A 47 -1.316 5.074 -6.385 1.00 0.00 N ATOM 723 CA CYS A 47 -0.220 5.971 -6.732 1.00 0.00 C ATOM 724 C CYS A 47 0.139 5.844 -8.209 1.00 0.00 C ATOM 725 O CYS A 47 0.836 6.693 -8.765 1.00 0.00 O ATOM 726 CB CYS A 47 1.006 5.669 -5.869 1.00 0.00 C ATOM 727 SG CYS A 47 0.844 6.194 -4.147 1.00 0.00 S ATOM 0 H CYS A 47 -1.044 4.279 -5.807 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.546 6.994 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.199 4.597 -5.894 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.875 6.160 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 47 1.725 7.114 -3.889 1.00 0.00 H new ATOM 733 N SER A 48 -0.340 4.776 -8.840 1.00 0.00 N ATOM 734 CA SER A 48 -0.065 4.534 -10.251 1.00 0.00 C ATOM 735 C SER A 48 -1.033 5.314 -11.135 1.00 0.00 C ATOM 736 O SER A 48 -0.697 5.702 -12.254 1.00 0.00 O ATOM 737 CB SER A 48 -0.163 3.040 -10.563 1.00 0.00 C ATOM 738 OG SER A 48 1.069 2.385 -10.315 1.00 0.00 O ATOM 0 H SER A 48 -0.921 4.065 -8.396 1.00 0.00 H new ATOM 0 HA SER A 48 0.948 4.876 -10.462 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.947 2.589 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.449 2.901 -11.606 1.00 0.00 H new ATOM 0 HG SER A 48 0.979 1.431 -10.521 1.00 0.00 H new ATOM 744 N LYS A 49 -2.239 5.541 -10.623 1.00 0.00 N ATOM 745 CA LYS A 49 -3.258 6.276 -11.363 1.00 0.00 C ATOM 746 C LYS A 49 -2.646 7.464 -12.098 1.00 0.00 C ATOM 747 O LYS A 49 -3.017 7.763 -13.233 1.00 0.00 O ATOM 748 CB LYS A 49 -4.356 6.760 -10.414 1.00 0.00 C ATOM 749 CG LYS A 49 -5.003 5.644 -9.612 1.00 0.00 C ATOM 750 CD LYS A 49 -5.383 4.469 -10.497 1.00 0.00 C ATOM 751 CE LYS A 49 -6.089 3.380 -9.705 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.560 3.607 -9.638 1.00 0.00 N ATOM 0 H LYS A 49 -2.534 5.226 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.694 5.602 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.933 7.492 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.124 7.273 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.316 5.308 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.892 6.024 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.032 4.814 -11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.487 4.059 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.892 2.411 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.681 3.343 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.005 2.843 -9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.750 4.520 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.954 3.617 -10.600 1.00 0.00 H new ATOM 766 N PHE A 50 -1.706 8.139 -11.444 1.00 0.00 N ATOM 767 CA PHE A 50 -1.043 9.295 -12.036 1.00 0.00 C ATOM 768 C PHE A 50 0.160 8.863 -12.870 1.00 0.00 C ATOM 769 O PHE A 50 0.519 9.518 -13.847 1.00 0.00 O ATOM 770 CB PHE A 50 -0.597 10.269 -10.943 1.00 0.00 C ATOM 771 CG PHE A 50 -1.511 10.291 -9.752 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.444 9.295 -8.791 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.437 11.310 -9.591 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.285 9.313 -7.694 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.280 11.333 -8.496 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.203 10.334 -7.546 1.00 0.00 C ATOM 0 H PHE A 50 -1.386 7.905 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.756 9.796 -12.691 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.407 10.000 -10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.537 11.273 -11.364 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.726 8.495 -8.900 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.500 12.095 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.224 8.529 -6.953 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.998 12.132 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.860 10.351 -6.689 1.00 0.00 H new ATOM 786 N GLY A 51 0.781 7.755 -12.474 1.00 0.00 N ATOM 787 CA GLY A 51 1.937 7.255 -13.194 1.00 0.00 C ATOM 788 C GLY A 51 2.290 5.833 -12.807 1.00 0.00 C ATOM 789 O GLY A 51 1.600 4.889 -13.192 1.00 0.00 O ATOM 0 H GLY A 51 0.504 7.196 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.741 7.299 -14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.791 7.904 -13.000 1.00 0.00 H new ATOM 793 N GLN A 52 3.368 5.679 -12.045 1.00 0.00 N ATOM 794 CA GLN A 52 3.813 4.361 -11.608 1.00 0.00 C ATOM 795 C GLN A 52 4.338 4.410 -10.177 1.00 0.00 C ATOM 796 O GLN A 52 4.441 5.482 -9.580 1.00 0.00 O ATOM 797 CB GLN A 52 4.898 3.829 -12.545 1.00 0.00 C ATOM 798 CG GLN A 52 4.358 3.303 -13.865 1.00 0.00 C ATOM 799 CD GLN A 52 5.459 2.891 -14.823 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.575 3.409 -14.765 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.150 1.955 -15.713 1.00 0.00 N ATOM 0 H GLN A 52 3.949 6.450 -11.717 1.00 0.00 H new ATOM 0 HA GLN A 52 2.956 3.688 -11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.615 4.625 -12.747 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.442 3.031 -12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.710 2.448 -13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.743 4.071 -14.333 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.213 1.553 -15.726 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.850 1.638 -16.384 1.00 0.00 H new ATOM 810 N ILE A 53 4.670 3.244 -9.634 1.00 0.00 N ATOM 811 CA ILE A 53 5.186 3.155 -8.273 1.00 0.00 C ATOM 812 C ILE A 53 6.626 2.652 -8.263 1.00 0.00 C ATOM 813 O ILE A 53 6.879 1.461 -8.449 1.00 0.00 O ATOM 814 CB ILE A 53 4.322 2.223 -7.403 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.862 2.273 -7.858 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.440 2.608 -5.936 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.280 3.670 -7.867 1.00 0.00 C ATOM 0 H ILE A 53 4.591 2.348 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 53 5.152 4.162 -7.856 1.00 0.00 H new ATOM 0 HB ILE A 53 4.684 1.202 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.787 1.850 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.263 1.643 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.824 1.940 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.480 2.525 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.101 3.635 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.243 3.630 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.323 4.088 -6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.855 4.299 -8.546 1.00 0.00 H new ATOM 829 N ARG A 54 7.565 3.566 -8.043 1.00 0.00 N ATOM 830 CA ARG A 54 8.979 3.215 -8.008 1.00 0.00 C ATOM 831 C ARG A 54 9.258 2.192 -6.910 1.00 0.00 C ATOM 832 O ARG A 54 10.131 1.335 -7.052 1.00 0.00 O ATOM 833 CB ARG A 54 9.831 4.465 -7.784 1.00 0.00 C ATOM 834 CG ARG A 54 10.184 5.200 -9.066 1.00 0.00 C ATOM 835 CD ARG A 54 11.326 4.519 -9.803 1.00 0.00 C ATOM 836 NE ARG A 54 12.548 4.480 -9.004 1.00 0.00 N ATOM 837 CZ ARG A 54 13.575 3.680 -9.268 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.528 2.857 -10.307 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.652 3.703 -8.494 1.00 0.00 N ATOM 0 H ARG A 54 7.372 4.555 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 54 9.242 2.772 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.296 5.145 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.751 4.180 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.308 5.246 -9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.462 6.228 -8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.033 3.503 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.520 5.047 -10.737 1.00 0.00 H new ATOM 0 HE ARG A 54 12.617 5.102 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.702 2.838 -10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.318 2.244 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.692 4.336 -7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.440 3.088 -8.698 1.00 0.00 H new ATOM 853 N LYS A 55 8.512 2.289 -5.815 1.00 0.00 N ATOM 854 CA LYS A 55 8.678 1.374 -4.692 1.00 0.00 C ATOM 855 C LYS A 55 7.540 1.532 -3.689 1.00 0.00 C ATOM 856 O LYS A 55 7.017 2.630 -3.496 1.00 0.00 O ATOM 857 CB LYS A 55 10.020 1.620 -4.000 1.00 0.00 C ATOM 858 CG LYS A 55 10.655 0.359 -3.438 1.00 0.00 C ATOM 859 CD LYS A 55 10.147 0.057 -2.038 1.00 0.00 C ATOM 860 CE LYS A 55 10.208 -1.432 -1.733 1.00 0.00 C ATOM 861 NZ LYS A 55 9.230 -2.206 -2.547 1.00 0.00 N ATOM 0 H LYS A 55 7.786 2.993 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 55 8.658 0.356 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.708 2.077 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.876 2.336 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.437 -0.483 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.739 0.475 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.743 0.604 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.120 0.408 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.215 -1.801 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.008 -1.594 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.585 -3.173 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.317 -2.242 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.105 -1.744 -3.470 1.00 0.00 H new ATOM 875 N LEU A 56 7.162 0.429 -3.052 1.00 0.00 N ATOM 876 CA LEU A 56 6.087 0.446 -2.066 1.00 0.00 C ATOM 877 C LEU A 56 6.500 -0.291 -0.796 1.00 0.00 C ATOM 878 O LEU A 56 6.963 -1.432 -0.851 1.00 0.00 O ATOM 879 CB LEU A 56 4.823 -0.188 -2.649 1.00 0.00 C ATOM 880 CG LEU A 56 3.494 0.361 -2.129 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.068 1.579 -2.933 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.419 -0.715 -2.174 1.00 0.00 C ATOM 0 H LEU A 56 7.584 -0.488 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 56 5.880 1.485 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.845 -0.064 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.853 -1.259 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 56 3.630 0.667 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.120 1.956 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.828 2.355 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.950 1.301 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.480 -0.307 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.285 -1.052 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.721 -1.558 -1.552 1.00 0.00 H new ATOM 894 N LEU A 57 6.328 0.365 0.346 1.00 0.00 N ATOM 895 CA LEU A 57 6.681 -0.229 1.630 1.00 0.00 C ATOM 896 C LEU A 57 5.578 0.002 2.659 1.00 0.00 C ATOM 897 O LEU A 57 5.325 1.135 3.069 1.00 0.00 O ATOM 898 CB LEU A 57 8.000 0.355 2.140 1.00 0.00 C ATOM 899 CG LEU A 57 9.260 -0.079 1.391 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.441 0.797 1.780 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.567 -1.544 1.668 1.00 0.00 C ATOM 0 H LEU A 57 5.946 1.309 0.409 1.00 0.00 H new ATOM 0 HA LEU A 57 6.798 -1.303 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.933 1.442 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.113 0.083 3.189 1.00 0.00 H new ATOM 0 HG LEU A 57 9.083 0.039 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.329 0.473 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.222 1.835 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.620 0.711 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.467 -1.836 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.724 -1.687 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.730 -2.160 1.339 1.00 0.00 H new ATOM 913 N LEU A 58 4.927 -1.079 3.072 1.00 0.00 N ATOM 914 CA LEU A 58 3.852 -0.995 4.055 1.00 0.00 C ATOM 915 C LEU A 58 4.355 -1.368 5.446 1.00 0.00 C ATOM 916 O LEU A 58 4.762 -2.505 5.686 1.00 0.00 O ATOM 917 CB LEU A 58 2.696 -1.914 3.656 1.00 0.00 C ATOM 918 CG LEU A 58 1.292 -1.414 3.998 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.241 -2.218 3.249 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.051 -1.486 5.499 1.00 0.00 C ATOM 0 H LEU A 58 5.124 -2.024 2.742 1.00 0.00 H new ATOM 0 HA LEU A 58 3.497 0.035 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.748 -2.083 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.843 -2.880 4.138 1.00 0.00 H new ATOM 0 HG LEU A 58 1.213 -0.372 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.752 -1.847 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.401 -2.115 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.319 -3.269 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.047 -1.126 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.150 -2.518 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.783 -0.865 6.015 1.00 0.00 H new ATOM 932 N PHE A 59 4.323 -0.404 6.359 1.00 0.00 N ATOM 933 CA PHE A 59 4.775 -0.631 7.727 1.00 0.00 C ATOM 934 C PHE A 59 3.679 -1.288 8.560 1.00 0.00 C ATOM 935 O PHE A 59 2.832 -0.608 9.139 1.00 0.00 O ATOM 936 CB PHE A 59 5.199 0.690 8.373 1.00 0.00 C ATOM 937 CG PHE A 59 6.164 1.482 7.538 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.968 0.854 6.600 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.269 2.855 7.693 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.857 1.581 5.831 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.155 3.587 6.925 1.00 0.00 C ATOM 942 CZ PHE A 59 7.951 2.949 5.994 1.00 0.00 C ATOM 0 H PHE A 59 3.989 0.542 6.177 1.00 0.00 H new ATOM 0 HA PHE A 59 5.633 -1.302 7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.312 1.295 8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.654 0.482 9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.899 -0.216 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.652 3.359 8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.478 1.080 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.225 4.657 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.646 3.519 5.395 1.00 0.00 H new ATOM 952 N ASP A 60 3.702 -2.615 8.615 1.00 0.00 N ATOM 953 CA ASP A 60 2.710 -3.366 9.377 1.00 0.00 C ATOM 954 C ASP A 60 3.083 -3.413 10.856 1.00 0.00 C ATOM 955 O ASP A 60 2.863 -4.420 11.530 1.00 0.00 O ATOM 956 CB ASP A 60 2.581 -4.787 8.825 1.00 0.00 C ATOM 957 CG ASP A 60 3.893 -5.545 8.864 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.764 -5.268 8.014 1.00 0.00 O ATOM 959 OD2 ASP A 60 4.049 -6.417 9.745 1.00 0.00 O ATOM 0 H ASP A 60 4.396 -3.193 8.141 1.00 0.00 H new ATOM 0 HA ASP A 60 1.751 -2.858 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.833 -5.331 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.221 -4.743 7.797 1.00 0.00 H new ATOM 964 N ARG A 61 3.650 -2.319 11.353 1.00 0.00 N ATOM 965 CA ARG A 61 4.055 -2.236 12.751 1.00 0.00 C ATOM 966 C ARG A 61 3.419 -1.028 13.431 1.00 0.00 C ATOM 967 O ARG A 61 2.946 -1.117 14.564 1.00 0.00 O ATOM 968 CB ARG A 61 5.579 -2.152 12.858 1.00 0.00 C ATOM 969 CG ARG A 61 6.310 -2.964 11.801 1.00 0.00 C ATOM 970 CD ARG A 61 5.940 -4.437 11.876 1.00 0.00 C ATOM 971 NE ARG A 61 7.028 -5.298 11.419 1.00 0.00 N ATOM 972 CZ ARG A 61 7.129 -6.584 11.735 1.00 0.00 C ATOM 973 NH1 ARG A 61 6.212 -7.156 12.505 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.148 -7.302 11.281 1.00 0.00 N ATOM 0 H ARG A 61 3.839 -1.478 10.808 1.00 0.00 H new ATOM 0 HA ARG A 61 3.711 -3.138 13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.883 -1.108 12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.885 -2.498 13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.068 -2.577 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.386 -2.851 11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.681 -4.694 12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.053 -4.620 11.269 1.00 0.00 H new ATOM 0 HE ARG A 61 7.749 -4.889 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.427 -6.608 12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.292 -8.144 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.855 -6.866 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.225 -8.290 11.524 1.00 0.00 H new ATOM 988 N HIS A 62 3.413 0.103 12.732 1.00 0.00 N ATOM 989 CA HIS A 62 2.835 1.330 13.268 1.00 0.00 C ATOM 990 C HIS A 62 1.326 1.188 13.445 1.00 0.00 C ATOM 991 O HIS A 62 0.585 0.944 12.493 1.00 0.00 O ATOM 992 CB HIS A 62 3.143 2.510 12.346 1.00 0.00 C ATOM 993 CG HIS A 62 3.379 3.796 13.076 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.470 4.336 13.961 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.429 4.649 13.050 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.950 5.467 14.447 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.138 5.680 13.910 1.00 0.00 N ATOM 0 H HIS A 62 3.802 0.195 11.794 1.00 0.00 H new ATOM 0 HA HIS A 62 3.282 1.516 14.245 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.024 2.274 11.749 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.314 2.643 11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.329 4.540 12.462 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.455 6.108 15.162 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.741 6.480 14.103 1.00 0.00 H new ATOM 1005 N PRO A 63 0.859 1.343 14.693 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.565 1.236 15.024 1.00 0.00 C ATOM 1007 C PRO A 63 -1.378 2.401 14.470 1.00 0.00 C ATOM 1008 O PRO A 63 -2.570 2.527 14.751 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.576 1.256 16.555 1.00 0.00 C ATOM 1010 CG PRO A 63 0.671 1.978 16.933 1.00 0.00 C ATOM 1011 CD PRO A 63 1.685 1.635 15.877 1.00 0.00 C ATOM 0 HA PRO A 63 -1.018 0.343 14.593 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.460 1.766 16.938 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.588 0.246 16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.501 3.054 16.976 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.016 1.670 17.920 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.371 2.462 15.694 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.291 0.776 16.166 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.727 3.249 13.683 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.390 4.404 13.088 1.00 0.00 C ATOM 1021 C ASP A 64 -1.389 4.306 11.565 1.00 0.00 C ATOM 1022 O ASP A 64 -1.630 5.292 10.870 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.702 5.697 13.528 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.578 5.802 15.036 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -0.731 4.767 15.717 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.326 6.919 15.533 1.00 0.00 O ATOM 0 H ASP A 64 0.260 3.159 13.442 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.424 4.416 13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.290 5.748 13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.265 6.551 13.152 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.115 3.110 11.054 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.087 2.906 9.618 1.00 0.00 C ATOM 1033 C GLY A 65 -0.129 3.848 8.917 1.00 0.00 C ATOM 1034 O GLY A 65 -0.467 5.001 8.646 1.00 0.00 O ATOM 0 H GLY A 65 -0.912 2.279 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.799 1.876 9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.090 3.046 9.215 1.00 0.00 H new ATOM 1038 N VAL A 66 1.072 3.359 8.623 1.00 0.00 N ATOM 1039 CA VAL A 66 2.082 4.166 7.950 1.00 0.00 C ATOM 1040 C VAL A 66 2.663 3.429 6.748 1.00 0.00 C ATOM 1041 O VAL A 66 3.170 2.315 6.876 1.00 0.00 O ATOM 1042 CB VAL A 66 3.227 4.545 8.908 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.306 5.324 8.170 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.693 5.344 10.087 1.00 0.00 C ATOM 0 H VAL A 66 1.369 2.408 8.841 1.00 0.00 H new ATOM 0 HA VAL A 66 1.586 5.075 7.610 1.00 0.00 H new ATOM 0 HB VAL A 66 3.674 3.628 9.293 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.106 5.583 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.709 4.712 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.877 6.236 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.516 5.603 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.219 6.256 9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.961 4.746 10.630 1.00 0.00 H new ATOM 1054 N ALA A 67 2.585 4.060 5.581 1.00 0.00 N ATOM 1055 CA ALA A 67 3.105 3.466 4.356 1.00 0.00 C ATOM 1056 C ALA A 67 4.058 4.420 3.644 1.00 0.00 C ATOM 1057 O ALA A 67 3.954 5.638 3.787 1.00 0.00 O ATOM 1058 CB ALA A 67 1.961 3.073 3.433 1.00 0.00 C ATOM 0 H ALA A 67 2.167 4.982 5.458 1.00 0.00 H new ATOM 0 HA ALA A 67 3.664 2.570 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.364 2.631 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.321 2.348 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.378 3.958 3.179 1.00 0.00 H new ATOM 1064 N SER A 68 4.987 3.859 2.877 1.00 0.00 N ATOM 1065 CA SER A 68 5.962 4.660 2.147 1.00 0.00 C ATOM 1066 C SER A 68 5.919 4.342 0.655 1.00 0.00 C ATOM 1067 O SER A 68 6.424 3.310 0.214 1.00 0.00 O ATOM 1068 CB SER A 68 7.370 4.411 2.692 1.00 0.00 C ATOM 1069 OG SER A 68 8.356 4.783 1.745 1.00 0.00 O ATOM 0 H SER A 68 5.085 2.852 2.745 1.00 0.00 H new ATOM 0 HA SER A 68 5.707 5.711 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.513 4.978 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.484 3.357 2.946 1.00 0.00 H new ATOM 0 HG SER A 68 9.247 4.616 2.117 1.00 0.00 H new ATOM 1075 N VAL A 69 5.310 5.237 -0.117 1.00 0.00 N ATOM 1076 CA VAL A 69 5.200 5.054 -1.559 1.00 0.00 C ATOM 1077 C VAL A 69 6.216 5.915 -2.301 1.00 0.00 C ATOM 1078 O VAL A 69 6.030 7.122 -2.452 1.00 0.00 O ATOM 1079 CB VAL A 69 3.786 5.399 -2.063 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.519 4.731 -3.403 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.741 4.990 -1.036 1.00 0.00 C ATOM 0 H VAL A 69 4.885 6.096 0.233 1.00 0.00 H new ATOM 0 HA VAL A 69 5.403 4.002 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 69 3.722 6.478 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.515 4.986 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.249 5.078 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.601 3.650 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.748 5.241 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.803 3.916 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.923 5.520 -0.101 1.00 0.00 H new ATOM 1091 N SER A 70 7.291 5.285 -2.764 1.00 0.00 N ATOM 1092 CA SER A 70 8.340 5.994 -3.488 1.00 0.00 C ATOM 1093 C SER A 70 7.915 6.267 -4.928 1.00 0.00 C ATOM 1094 O SER A 70 7.259 5.441 -5.562 1.00 0.00 O ATOM 1095 CB SER A 70 9.637 5.183 -3.473 1.00 0.00 C ATOM 1096 OG SER A 70 10.721 5.946 -3.975 1.00 0.00 O ATOM 0 H SER A 70 7.458 4.285 -2.651 1.00 0.00 H new ATOM 0 HA SER A 70 8.511 6.948 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.856 4.860 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.513 4.282 -4.074 1.00 0.00 H new ATOM 0 HG SER A 70 11.539 5.406 -3.953 1.00 0.00 H new ATOM 1102 N PHE A 71 8.296 7.434 -5.439 1.00 0.00 N ATOM 1103 CA PHE A 71 7.955 7.819 -6.803 1.00 0.00 C ATOM 1104 C PHE A 71 9.213 8.067 -7.629 1.00 0.00 C ATOM 1105 O PHE A 71 10.317 8.147 -7.090 1.00 0.00 O ATOM 1106 CB PHE A 71 7.079 9.074 -6.798 1.00 0.00 C ATOM 1107 CG PHE A 71 5.647 8.804 -6.432 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.303 8.463 -5.134 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.646 8.893 -7.386 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.986 8.214 -4.795 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.328 8.645 -7.052 1.00 0.00 C ATOM 1112 CZ PHE A 71 2.998 8.306 -5.755 1.00 0.00 C ATOM 0 H PHE A 71 8.841 8.129 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 71 7.399 6.998 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.496 9.795 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.113 9.535 -7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.072 8.391 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.899 9.159 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.730 7.948 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.557 8.716 -7.805 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.969 8.113 -5.492 1.00 0.00 H new ATOM 1122 N ARG A 72 9.039 8.187 -8.941 1.00 0.00 N ATOM 1123 CA ARG A 72 10.160 8.424 -9.843 1.00 0.00 C ATOM 1124 C ARG A 72 10.322 9.914 -10.128 1.00 0.00 C ATOM 1125 O ARG A 72 11.430 10.449 -10.076 1.00 0.00 O ATOM 1126 CB ARG A 72 9.958 7.661 -11.154 1.00 0.00 C ATOM 1127 CG ARG A 72 10.970 8.020 -12.229 1.00 0.00 C ATOM 1128 CD ARG A 72 12.396 7.827 -11.739 1.00 0.00 C ATOM 1129 NE ARG A 72 13.362 7.870 -12.833 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.444 6.940 -13.778 1.00 0.00 C ATOM 1131 NH1 ARG A 72 12.623 5.899 -13.762 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.350 7.050 -14.742 1.00 0.00 N ATOM 0 H ARG A 72 8.132 8.124 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 72 11.067 8.064 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.016 6.591 -10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.955 7.861 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.800 7.402 -13.111 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.826 9.057 -12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.637 8.602 -11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.475 6.870 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 72 14.009 8.657 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.926 5.811 -13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.688 5.187 -14.489 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.984 7.849 -14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.412 6.335 -15.467 1.00 0.00 H new ATOM 1146 N ASP A 73 9.212 10.577 -10.431 1.00 0.00 N ATOM 1147 CA ASP A 73 9.231 12.006 -10.724 1.00 0.00 C ATOM 1148 C ASP A 73 8.573 12.800 -9.600 1.00 0.00 C ATOM 1149 O ASP A 73 7.574 12.383 -9.015 1.00 0.00 O ATOM 1150 CB ASP A 73 8.518 12.285 -12.048 1.00 0.00 C ATOM 1151 CG ASP A 73 9.328 11.836 -13.248 1.00 0.00 C ATOM 1152 OD1 ASP A 73 10.348 12.489 -13.555 1.00 0.00 O ATOM 1153 OD2 ASP A 73 8.944 10.829 -13.880 1.00 0.00 O ATOM 0 H ASP A 73 8.288 10.149 -10.480 1.00 0.00 H new ATOM 0 HA ASP A 73 10.271 12.322 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.554 11.776 -12.053 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.314 13.353 -12.130 1.00 0.00 H new ATOM 1158 N PRO A 74 9.146 13.973 -9.290 1.00 0.00 N ATOM 1159 CA PRO A 74 8.632 14.850 -8.234 1.00 0.00 C ATOM 1160 C PRO A 74 7.299 15.488 -8.609 1.00 0.00 C ATOM 1161 O PRO A 74 6.417 15.644 -7.765 1.00 0.00 O ATOM 1162 CB PRO A 74 9.719 15.920 -8.102 1.00 0.00 C ATOM 1163 CG PRO A 74 10.391 15.944 -9.431 1.00 0.00 C ATOM 1164 CD PRO A 74 10.339 14.533 -9.947 1.00 0.00 C ATOM 0 HA PRO A 74 8.436 14.305 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.290 16.892 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.423 15.673 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.884 16.628 -10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.421 16.289 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.250 14.505 -11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.239 13.977 -9.687 1.00 0.00 H new ATOM 1172 N GLU A 75 7.160 15.856 -9.878 1.00 0.00 N ATOM 1173 CA GLU A 75 5.933 16.478 -10.363 1.00 0.00 C ATOM 1174 C GLU A 75 4.715 15.634 -10.000 1.00 0.00 C ATOM 1175 O GLU A 75 3.728 16.146 -9.472 1.00 0.00 O ATOM 1176 CB GLU A 75 5.999 16.673 -11.879 1.00 0.00 C ATOM 1177 CG GLU A 75 7.126 17.589 -12.327 1.00 0.00 C ATOM 1178 CD GLU A 75 7.497 18.615 -11.274 1.00 0.00 C ATOM 1179 OE1 GLU A 75 6.882 19.701 -11.261 1.00 0.00 O ATOM 1180 OE2 GLU A 75 8.404 18.331 -10.464 1.00 0.00 O ATOM 0 H GLU A 75 7.881 15.735 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 75 5.835 17.452 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.121 15.701 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.050 17.082 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.003 16.989 -12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.830 18.103 -13.241 1.00 0.00 H new ATOM 1187 N GLU A 76 4.793 14.338 -10.288 1.00 0.00 N ATOM 1188 CA GLU A 76 3.696 13.424 -9.993 1.00 0.00 C ATOM 1189 C GLU A 76 3.426 13.364 -8.492 1.00 0.00 C ATOM 1190 O GLU A 76 2.337 13.706 -8.032 1.00 0.00 O ATOM 1191 CB GLU A 76 4.014 12.024 -10.521 1.00 0.00 C ATOM 1192 CG GLU A 76 3.582 11.804 -11.961 1.00 0.00 C ATOM 1193 CD GLU A 76 2.151 12.238 -12.214 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.371 12.309 -11.241 1.00 0.00 O ATOM 1195 OE2 GLU A 76 1.810 12.506 -13.385 1.00 0.00 O ATOM 0 H GLU A 76 5.603 13.898 -10.725 1.00 0.00 H new ATOM 0 HA GLU A 76 2.801 13.798 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.087 11.850 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.524 11.286 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.248 12.356 -12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.687 10.748 -12.211 1.00 0.00 H new ATOM 1202 N ALA A 77 4.426 12.925 -7.734 1.00 0.00 N ATOM 1203 CA ALA A 77 4.298 12.821 -6.286 1.00 0.00 C ATOM 1204 C ALA A 77 3.623 14.059 -5.704 1.00 0.00 C ATOM 1205 O ALA A 77 2.527 13.976 -5.150 1.00 0.00 O ATOM 1206 CB ALA A 77 5.664 12.614 -5.649 1.00 0.00 C ATOM 0 H ALA A 77 5.333 12.636 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 77 3.670 11.958 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.553 12.538 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.109 11.697 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.309 13.459 -5.889 1.00 0.00 H new ATOM 1212 N ASP A 78 4.284 15.204 -5.834 1.00 0.00 N ATOM 1213 CA ASP A 78 3.747 16.459 -5.321 1.00 0.00 C ATOM 1214 C ASP A 78 2.260 16.582 -5.635 1.00 0.00 C ATOM 1215 O ASP A 78 1.529 17.303 -4.956 1.00 0.00 O ATOM 1216 CB ASP A 78 4.507 17.645 -5.917 1.00 0.00 C ATOM 1217 CG ASP A 78 4.549 18.836 -4.980 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.721 18.625 -3.761 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.409 19.978 -5.465 1.00 0.00 O ATOM 0 H ASP A 78 5.192 15.289 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 78 3.873 16.464 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.525 17.338 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.036 17.940 -6.855 1.00 0.00 H new ATOM 1224 N TYR A 79 1.818 15.875 -6.670 1.00 0.00 N ATOM 1225 CA TYR A 79 0.418 15.909 -7.077 1.00 0.00 C ATOM 1226 C TYR A 79 -0.346 14.722 -6.497 1.00 0.00 C ATOM 1227 O TYR A 79 -1.556 14.794 -6.281 1.00 0.00 O ATOM 1228 CB TYR A 79 0.309 15.904 -8.602 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.116 15.933 -9.107 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.144 16.433 -8.316 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.435 15.461 -10.374 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.447 16.461 -8.773 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.736 15.486 -10.839 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.738 15.987 -10.035 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.035 16.012 -10.494 1.00 0.00 O ATOM 0 H TYR A 79 2.409 15.272 -7.242 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.025 16.827 -6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.844 16.767 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.805 15.015 -8.991 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.920 16.806 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.653 15.068 -11.006 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.234 16.852 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.967 15.115 -11.827 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.068 15.643 -11.401 1.00 0.00 H new ATOM 1245 N CYS A 80 0.370 13.631 -6.248 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.239 12.427 -5.694 1.00 0.00 C ATOM 1247 C CYS A 80 -0.465 12.574 -4.193 1.00 0.00 C ATOM 1248 O CYS A 80 -1.371 11.959 -3.629 1.00 0.00 O ATOM 1249 CB CYS A 80 0.644 11.209 -5.972 1.00 0.00 C ATOM 1250 SG CYS A 80 0.862 10.841 -7.729 1.00 0.00 S ATOM 0 H CYS A 80 1.372 13.555 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.206 12.283 -6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.623 11.373 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.209 10.339 -5.481 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.218 10.285 -8.193 1.00 0.00 H new ATOM 1256 N ILE A 81 0.363 13.391 -3.552 1.00 0.00 N ATOM 1257 CA ILE A 81 0.254 13.618 -2.116 1.00 0.00 C ATOM 1258 C ILE A 81 -0.909 14.551 -1.795 1.00 0.00 C ATOM 1259 O ILE A 81 -1.429 14.548 -0.679 1.00 0.00 O ATOM 1260 CB ILE A 81 1.551 14.214 -1.540 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.694 15.680 -1.956 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.756 13.407 -2.000 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.965 16.641 -1.044 1.00 0.00 C ATOM 0 H ILE A 81 1.117 13.907 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 81 0.076 12.647 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 81 1.502 14.168 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.752 15.942 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.317 15.799 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.665 13.841 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.656 12.377 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.811 13.424 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.110 17.661 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.099 16.405 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.358 16.550 -0.031 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.311 15.348 -2.780 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.413 16.286 -2.601 1.00 0.00 C ATOM 1277 C GLN A 82 -3.742 15.645 -2.988 1.00 0.00 C ATOM 1278 O GLN A 82 -4.803 16.060 -2.522 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.178 17.545 -3.437 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.688 17.258 -4.847 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.574 18.511 -5.692 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.541 18.940 -6.322 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.388 19.107 -5.709 1.00 0.00 N ATOM 0 H GLN A 82 -0.891 15.363 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.457 16.560 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.107 18.112 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.449 18.177 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.715 16.769 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.372 16.560 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.386 18.717 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.251 19.955 -6.259 1.00 0.00 H new ATOM 1292 N THR A 83 -3.676 14.630 -3.844 1.00 0.00 N ATOM 1293 CA THR A 83 -4.874 13.932 -4.295 1.00 0.00 C ATOM 1294 C THR A 83 -5.119 12.672 -3.473 1.00 0.00 C ATOM 1295 O THR A 83 -6.240 12.167 -3.411 1.00 0.00 O ATOM 1296 CB THR A 83 -4.774 13.549 -5.784 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.959 14.709 -6.602 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.813 12.497 -6.143 1.00 0.00 C ATOM 0 H THR A 83 -2.806 14.273 -4.239 1.00 0.00 H new ATOM 0 HA THR A 83 -5.710 14.619 -4.159 1.00 0.00 H new ATOM 0 HB THR A 83 -3.782 13.133 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.154 14.862 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.723 12.242 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.650 11.604 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.811 12.890 -5.948 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.063 12.169 -2.842 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.164 10.966 -2.022 1.00 0.00 C ATOM 1308 C LEU A 84 -4.392 11.325 -0.557 1.00 0.00 C ATOM 1309 O LEU A 84 -4.641 10.451 0.274 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.895 10.123 -2.161 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.645 9.509 -3.538 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.282 8.836 -3.583 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.743 8.516 -3.888 1.00 0.00 C ATOM 0 H LEU A 84 -3.128 12.575 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.018 10.386 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.039 10.746 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.936 9.317 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.658 10.309 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.122 8.405 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.505 9.573 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.241 8.047 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.548 8.089 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.763 7.719 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.706 9.027 -3.899 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.308 12.614 -0.248 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.509 13.088 1.116 1.00 0.00 C ATOM 1327 C ASP A 85 -5.976 12.974 1.520 1.00 0.00 C ATOM 1328 O ASP A 85 -6.330 13.194 2.678 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.042 14.539 1.248 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.149 15.532 0.955 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.917 15.300 -0.002 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.249 16.541 1.684 1.00 0.00 O ATOM 0 H ASP A 85 -4.102 13.350 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.917 12.462 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.666 14.706 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.211 14.714 0.565 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.825 12.629 0.557 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.243 12.493 0.833 1.00 0.00 C ATOM 1339 C GLY A 86 -8.766 11.107 0.510 1.00 0.00 C ATOM 1340 O GLY A 86 -9.954 10.830 0.676 1.00 0.00 O ATOM 0 H GLY A 86 -6.556 12.441 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.428 12.712 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.796 13.231 0.252 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.878 10.235 0.045 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.257 8.871 -0.305 1.00 0.00 C ATOM 1346 C ARG A 87 -8.889 8.159 0.888 1.00 0.00 C ATOM 1347 O ARG A 87 -8.774 8.614 2.026 1.00 0.00 O ATOM 1348 CB ARG A 87 -7.037 8.089 -0.792 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.555 8.508 -2.172 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.202 7.673 -3.265 1.00 0.00 C ATOM 1351 NE ARG A 87 -7.126 8.326 -4.570 1.00 0.00 N ATOM 1352 CZ ARG A 87 -7.879 7.982 -5.608 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.761 6.998 -5.496 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -7.752 8.623 -6.763 1.00 0.00 N ATOM 0 H ARG A 87 -6.891 10.448 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.992 8.920 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.224 8.219 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.280 7.027 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.783 9.561 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.471 8.405 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.712 6.701 -3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.246 7.490 -3.011 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.458 9.088 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.863 6.503 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.338 6.737 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.075 9.381 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.331 8.358 -7.560 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.555 7.042 0.618 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.204 6.268 1.670 1.00 0.00 C ATOM 1370 C TRP A 88 -9.752 4.812 1.632 1.00 0.00 C ATOM 1371 O TRP A 88 -9.860 4.145 0.604 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.725 6.346 1.523 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.286 7.694 1.863 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.214 8.826 1.102 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -13.002 8.050 3.050 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.843 9.865 1.746 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.335 9.415 2.942 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.396 7.349 4.193 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.041 10.089 3.935 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.096 8.019 5.177 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.414 9.378 5.043 1.00 0.00 C ATOM 0 H TRP A 88 -9.660 6.652 -0.319 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.916 6.694 2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.997 6.095 0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.184 5.596 2.167 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.734 8.895 0.137 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.929 10.817 1.390 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.157 6.302 4.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.286 11.136 3.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.404 7.487 6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.964 9.873 5.830 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.245 4.326 2.760 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.775 2.948 2.856 1.00 0.00 C ATOM 1394 C PHE A 89 -9.464 2.217 4.004 1.00 0.00 C ATOM 1395 O PHE A 89 -9.666 2.779 5.080 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.258 2.917 3.053 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.485 3.001 1.769 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.721 4.028 0.868 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.521 2.054 1.462 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -6.011 4.107 -0.315 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.807 2.128 0.280 1.00 0.00 C ATOM 1402 CZ PHE A 89 -5.052 3.157 -0.609 1.00 0.00 C ATOM 0 H PHE A 89 -9.149 4.865 3.620 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.024 2.440 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.966 3.746 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.986 1.998 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.468 4.775 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.325 1.248 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.206 4.911 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.059 1.383 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.495 3.219 -1.532 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.824 0.959 3.766 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.487 0.171 4.788 1.00 0.00 C ATOM 1414 C GLY A 90 -11.817 0.766 5.207 1.00 0.00 C ATOM 1415 O GLY A 90 -12.450 0.288 6.148 1.00 0.00 O ATOM 0 H GLY A 90 -9.668 0.472 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.646 -0.841 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.837 0.091 5.660 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.242 1.813 4.507 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.502 2.457 4.828 1.00 0.00 C ATOM 1421 C GLY A 91 -13.313 3.849 5.398 1.00 0.00 C ATOM 1422 O GLY A 91 -14.239 4.660 5.394 1.00 0.00 O ATOM 0 H GLY A 91 -11.736 2.227 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.116 2.516 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.047 1.844 5.546 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.110 4.127 5.891 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.804 5.429 6.470 1.00 0.00 C ATOM 1428 C ARG A 92 -10.949 6.260 5.517 1.00 0.00 C ATOM 1429 O ARG A 92 -10.431 5.747 4.526 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.079 5.259 7.806 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.777 4.305 8.761 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.899 3.970 9.956 1.00 0.00 C ATOM 1433 NE ARG A 92 -11.688 3.661 11.146 1.00 0.00 N ATOM 1434 CZ ARG A 92 -12.306 2.501 11.337 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -12.227 1.545 10.421 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -13.005 2.295 12.446 1.00 0.00 N ATOM 0 H ARG A 92 -11.332 3.468 5.901 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.744 5.954 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.069 4.896 7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.984 6.234 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.709 4.752 9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.040 3.388 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.263 3.119 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.238 4.811 10.167 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.769 4.375 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.691 1.700 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.703 0.655 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.068 3.028 13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.479 1.404 12.592 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.807 7.545 5.826 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.016 8.446 4.996 1.00 0.00 C ATOM 1452 C GLN A 93 -8.540 8.379 5.374 1.00 0.00 C ATOM 1453 O GLN A 93 -8.191 7.971 6.482 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.526 9.882 5.137 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.335 10.721 3.884 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.383 12.210 4.165 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.457 12.633 5.319 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.340 13.014 3.109 1.00 0.00 N ATOM 0 H GLN A 93 -11.229 7.985 6.644 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.121 8.130 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.586 9.859 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.009 10.362 5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.377 10.472 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.109 10.467 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.279 12.620 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.368 14.026 3.237 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.678 8.781 4.445 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.240 8.766 4.681 1.00 0.00 C ATOM 1469 C ILE A 94 -5.589 10.053 4.186 1.00 0.00 C ATOM 1470 O ILE A 94 -6.088 10.702 3.266 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.568 7.565 3.990 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.352 7.859 2.504 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.410 6.311 4.171 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.780 6.690 1.734 1.00 0.00 C ATOM 0 H ILE A 94 -7.951 9.121 3.523 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.098 8.680 5.758 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.596 7.396 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.303 8.148 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.681 8.712 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.922 5.471 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.517 6.095 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.395 6.468 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.653 6.970 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.813 6.415 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.460 5.841 1.803 1.00 0.00 H new ATOM 1486 N THR A 95 -4.468 10.417 4.801 1.00 0.00 N ATOM 1487 CA THR A 95 -3.747 11.626 4.423 1.00 0.00 C ATOM 1488 C THR A 95 -2.427 11.288 3.740 1.00 0.00 C ATOM 1489 O THR A 95 -1.864 10.214 3.953 1.00 0.00 O ATOM 1490 CB THR A 95 -3.465 12.518 5.647 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.834 13.735 5.232 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.576 11.796 6.649 1.00 0.00 C ATOM 0 H THR A 95 -4.040 9.892 5.563 1.00 0.00 H new ATOM 0 HA THR A 95 -4.385 12.169 3.726 1.00 0.00 H new ATOM 0 HB THR A 95 -4.416 12.748 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.660 14.297 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.390 12.445 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.072 10.885 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.628 11.540 6.176 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.936 12.211 2.920 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.680 12.012 2.208 1.00 0.00 C ATOM 1502 C ALA A 96 0.242 13.215 2.373 1.00 0.00 C ATOM 1503 O ALA A 96 -0.219 14.337 2.581 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.946 11.747 0.733 1.00 0.00 C ATOM 0 H ALA A 96 -2.390 13.105 2.732 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.181 11.144 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.001 11.600 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.560 10.852 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.470 12.599 0.299 1.00 0.00 H new ATOM 1510 N GLN A 97 1.546 12.972 2.281 1.00 0.00 N ATOM 1511 CA GLN A 97 2.532 14.037 2.422 1.00 0.00 C ATOM 1512 C GLN A 97 3.903 13.576 1.937 1.00 0.00 C ATOM 1513 O GLN A 97 4.166 12.379 1.836 1.00 0.00 O ATOM 1514 CB GLN A 97 2.619 14.489 3.881 1.00 0.00 C ATOM 1515 CG GLN A 97 2.726 13.340 4.869 1.00 0.00 C ATOM 1516 CD GLN A 97 1.375 12.880 5.379 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.730 11.992 4.631 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.914 13.319 6.433 1.00 0.00 N flip ATOM 0 H GLN A 97 1.943 12.048 2.110 1.00 0.00 H new ATOM 0 HA GLN A 97 2.213 14.878 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.485 15.141 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.737 15.083 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.234 12.502 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.343 13.648 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.444 14.000 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.003 13.001 6.762 1.00 0.00 H new ATOM 1527 N ALA A 98 4.772 14.536 1.639 1.00 0.00 N ATOM 1528 CA ALA A 98 6.117 14.229 1.166 1.00 0.00 C ATOM 1529 C ALA A 98 7.069 13.998 2.334 1.00 0.00 C ATOM 1530 O ALA A 98 7.106 14.782 3.282 1.00 0.00 O ATOM 1531 CB ALA A 98 6.632 15.350 0.276 1.00 0.00 C ATOM 0 H ALA A 98 4.569 15.533 1.717 1.00 0.00 H new ATOM 0 HA ALA A 98 6.070 13.310 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.637 15.108 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.971 15.466 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.658 16.281 0.842 1.00 0.00 H new ATOM 1537 N TRP A 99 7.838 12.917 2.259 1.00 0.00 N ATOM 1538 CA TRP A 99 8.791 12.583 3.311 1.00 0.00 C ATOM 1539 C TRP A 99 10.129 13.275 3.074 1.00 0.00 C ATOM 1540 O TRP A 99 10.429 13.701 1.958 1.00 0.00 O ATOM 1541 CB TRP A 99 8.992 11.069 3.383 1.00 0.00 C ATOM 1542 CG TRP A 99 9.764 10.628 4.590 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.576 11.041 5.878 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.846 9.692 4.621 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.476 10.418 6.708 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.266 9.585 5.961 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.501 8.932 3.647 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.311 8.749 6.349 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.537 8.104 4.034 1.00 0.00 C ATOM 1550 CH2 TRP A 99 12.934 8.017 5.375 1.00 0.00 C ATOM 0 H TRP A 99 7.820 12.258 1.481 1.00 0.00 H new ATOM 0 HA TRP A 99 8.385 12.934 4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.018 10.580 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.513 10.736 2.486 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.829 11.753 6.197 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.545 10.554 7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.202 8.991 2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.618 8.681 7.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.050 7.513 3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.747 7.360 5.645 1.00 0.00 H new ATOM 1561 N ASP A 100 10.928 13.385 4.129 1.00 0.00 N ATOM 1562 CA ASP A 100 12.235 14.025 4.035 1.00 0.00 C ATOM 1563 C ASP A 100 13.348 13.042 4.382 1.00 0.00 C ATOM 1564 O ASP A 100 14.275 12.836 3.600 1.00 0.00 O ATOM 1565 CB ASP A 100 12.301 15.238 4.964 1.00 0.00 C ATOM 1566 CG ASP A 100 11.524 16.423 4.426 1.00 0.00 C ATOM 1567 OD1 ASP A 100 11.641 16.708 3.216 1.00 0.00 O ATOM 1568 OD2 ASP A 100 10.801 17.067 5.215 1.00 0.00 O ATOM 0 H ASP A 100 10.694 13.039 5.060 1.00 0.00 H new ATOM 0 HA ASP A 100 12.376 14.357 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.908 14.964 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.343 15.525 5.108 1.00 0.00 H new ATOM 1573 N GLY A 101 13.250 12.436 5.562 1.00 0.00 N ATOM 1574 CA GLY A 101 14.256 11.483 5.992 1.00 0.00 C ATOM 1575 C GLY A 101 14.638 11.661 7.448 1.00 0.00 C ATOM 1576 O GLY A 101 15.820 11.763 7.780 1.00 0.00 O ATOM 0 H GLY A 101 12.492 12.588 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.882 10.471 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.145 11.592 5.370 1.00 0.00 H new ATOM 1580 N THR A 102 13.637 11.702 8.321 1.00 0.00 N ATOM 1581 CA THR A 102 13.874 11.872 9.749 1.00 0.00 C ATOM 1582 C THR A 102 13.111 10.832 10.561 1.00 0.00 C ATOM 1583 O THR A 102 13.583 10.371 11.601 1.00 0.00 O ATOM 1584 CB THR A 102 13.463 13.279 10.223 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.468 13.335 11.654 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.082 13.644 9.700 1.00 0.00 C ATOM 0 H THR A 102 12.653 11.620 8.064 1.00 0.00 H new ATOM 0 HA THR A 102 14.944 11.740 9.909 1.00 0.00 H new ATOM 0 HB THR A 102 14.184 13.996 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.207 14.233 11.947 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.813 14.642 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.090 13.629 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.352 12.923 10.067 1.00 0.00 H new ATOM 1594 N THR A 103 11.927 10.464 10.081 1.00 0.00 N ATOM 1595 CA THR A 103 11.098 9.478 10.762 1.00 0.00 C ATOM 1596 C THR A 103 11.843 8.161 10.939 1.00 0.00 C ATOM 1597 O THR A 103 12.720 7.821 10.144 1.00 0.00 O ATOM 1598 CB THR A 103 9.790 9.216 9.993 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.788 8.715 10.886 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.015 8.220 8.865 1.00 0.00 C ATOM 0 H THR A 103 11.521 10.835 9.222 1.00 0.00 H new ATOM 0 HA THR A 103 10.858 9.890 11.742 1.00 0.00 H new ATOM 0 HB THR A 103 9.453 10.159 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.261 8.025 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.077 8.051 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.756 8.617 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.374 7.277 9.278 1.00 0.00 H new ATOM 1608 N ASP A 104 11.490 7.422 11.984 1.00 0.00 N ATOM 1609 CA ASP A 104 12.125 6.139 12.264 1.00 0.00 C ATOM 1610 C ASP A 104 11.145 4.990 12.051 1.00 0.00 C ATOM 1611 O ASP A 104 11.079 4.059 12.854 1.00 0.00 O ATOM 1612 CB ASP A 104 12.658 6.111 13.697 1.00 0.00 C ATOM 1613 CG ASP A 104 13.950 6.890 13.849 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.002 8.049 13.386 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.907 6.342 14.433 1.00 0.00 O ATOM 0 H ASP A 104 10.767 7.689 12.652 1.00 0.00 H new ATOM 0 HA ASP A 104 12.958 6.016 11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.906 6.525 14.369 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.823 5.077 14.000 1.00 0.00 H new ATOM 1620 N TYR A 105 10.384 5.062 10.964 1.00 0.00 N ATOM 1621 CA TYR A 105 9.405 4.029 10.647 1.00 0.00 C ATOM 1622 C TYR A 105 10.094 2.731 10.240 1.00 0.00 C ATOM 1623 O TYR A 105 9.972 1.711 10.919 1.00 0.00 O ATOM 1624 CB TYR A 105 8.479 4.502 9.524 1.00 0.00 C ATOM 1625 CG TYR A 105 7.632 5.696 9.901 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.036 5.782 11.153 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.426 6.737 9.004 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.260 6.871 11.502 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.653 7.830 9.345 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.072 7.892 10.594 1.00 0.00 C ATOM 1631 OH TYR A 105 5.300 8.979 10.936 1.00 0.00 O ATOM 0 H TYR A 105 10.426 5.825 10.288 1.00 0.00 H new ATOM 0 HA TYR A 105 8.813 3.839 11.542 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.080 4.755 8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.825 3.680 9.233 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.182 4.984 11.866 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.878 6.691 8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.804 6.922 12.480 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.504 8.632 8.637 1.00 0.00 H new ATOM 0 HH TYR A 105 5.269 9.608 10.185 1.00 0.00 H new ATOM 1641 N GLN A 106 10.820 2.777 9.127 1.00 0.00 N ATOM 1642 CA GLN A 106 11.529 1.605 8.628 1.00 0.00 C ATOM 1643 C GLN A 106 13.010 1.672 8.987 1.00 0.00 C ATOM 1644 O GLN A 106 13.675 0.644 9.116 1.00 0.00 O ATOM 1645 CB GLN A 106 11.365 1.489 7.112 1.00 0.00 C ATOM 1646 CG GLN A 106 12.121 2.555 6.335 1.00 0.00 C ATOM 1647 CD GLN A 106 13.561 2.167 6.063 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.485 2.929 6.347 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.759 0.976 5.510 1.00 0.00 N ATOM 0 H GLN A 106 10.932 3.613 8.554 1.00 0.00 H new ATOM 0 HA GLN A 106 11.098 0.723 9.101 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.709 0.505 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.306 1.553 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.613 2.738 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.100 3.490 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.963 0.377 5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.707 0.661 5.304 1.00 0.00 H new ATOM 1658 N SER A 107 13.521 2.889 9.147 1.00 0.00 N ATOM 1659 CA SER A 107 14.925 3.090 9.487 1.00 0.00 C ATOM 1660 C SER A 107 15.359 2.131 10.592 1.00 0.00 C ATOM 1661 O SER A 107 14.571 1.779 11.469 1.00 0.00 O ATOM 1662 CB SER A 107 15.163 4.535 9.928 1.00 0.00 C ATOM 1663 OG SER A 107 15.008 4.673 11.330 1.00 0.00 O ATOM 0 H SER A 107 12.984 3.750 9.047 1.00 0.00 H new ATOM 0 HA SER A 107 15.521 2.886 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.166 4.846 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.463 5.195 9.415 1.00 0.00 H new ATOM 0 HG SER A 107 15.167 5.605 11.586 1.00 0.00 H new ATOM 1669 N GLY A 108 16.620 1.712 10.541 1.00 0.00 N ATOM 1670 CA GLY A 108 17.138 0.798 11.542 1.00 0.00 C ATOM 1671 C GLY A 108 17.110 1.389 12.938 1.00 0.00 C ATOM 1672 O GLY A 108 17.158 2.606 13.121 1.00 0.00 O ATOM 0 H GLY A 108 17.291 1.989 9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.552 -0.121 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.162 0.527 11.286 1.00 0.00 H new ATOM 1676 N PRO A 109 17.028 0.516 13.953 1.00 0.00 N ATOM 1677 CA PRO A 109 16.989 0.936 15.357 1.00 0.00 C ATOM 1678 C PRO A 109 18.322 1.508 15.827 1.00 0.00 C ATOM 1679 O PRO A 109 18.425 2.040 16.933 1.00 0.00 O ATOM 1680 CB PRO A 109 16.669 -0.359 16.106 1.00 0.00 C ATOM 1681 CG PRO A 109 17.163 -1.445 15.213 1.00 0.00 C ATOM 1682 CD PRO A 109 16.966 -0.948 13.808 1.00 0.00 C ATOM 0 HA PRO A 109 16.263 1.732 15.525 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.165 -0.388 17.076 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.599 -0.455 16.292 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.214 -1.662 15.407 1.00 0.00 H new ATOM 0 HG3 PRO A 109 16.611 -2.370 15.381 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.742 -1.319 13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.009 -1.271 13.398 1.00 0.00 H new ATOM 1690 N SER A 110 19.341 1.396 14.981 1.00 0.00 N ATOM 1691 CA SER A 110 20.669 1.899 15.312 1.00 0.00 C ATOM 1692 C SER A 110 21.553 1.957 14.070 1.00 0.00 C ATOM 1693 O SER A 110 21.632 0.996 13.305 1.00 0.00 O ATOM 1694 CB SER A 110 21.322 1.015 16.376 1.00 0.00 C ATOM 1695 OG SER A 110 22.296 1.735 17.111 1.00 0.00 O ATOM 0 H SER A 110 19.272 0.961 14.061 1.00 0.00 H new ATOM 0 HA SER A 110 20.560 2.909 15.707 1.00 0.00 H new ATOM 0 HB2 SER A 110 20.559 0.634 17.054 1.00 0.00 H new ATOM 0 HB3 SER A 110 21.786 0.151 15.900 1.00 0.00 H new ATOM 0 HG SER A 110 22.697 1.148 17.785 1.00 0.00 H new ATOM 1701 N SER A 111 22.217 3.092 13.877 1.00 0.00 N ATOM 1702 CA SER A 111 23.093 3.279 12.726 1.00 0.00 C ATOM 1703 C SER A 111 24.539 3.479 13.171 1.00 0.00 C ATOM 1704 O SER A 111 24.920 4.561 13.614 1.00 0.00 O ATOM 1705 CB SER A 111 22.632 4.479 11.897 1.00 0.00 C ATOM 1706 OG SER A 111 23.530 4.738 10.832 1.00 0.00 O ATOM 0 H SER A 111 22.165 3.896 14.503 1.00 0.00 H new ATOM 0 HA SER A 111 23.041 2.380 12.111 1.00 0.00 H new ATOM 0 HB2 SER A 111 21.636 4.288 11.498 1.00 0.00 H new ATOM 0 HB3 SER A 111 22.557 5.359 12.536 1.00 0.00 H new ATOM 0 HG SER A 111 23.212 5.508 10.316 1.00 0.00 H new ATOM 1712 N GLY A 112 25.340 2.424 13.048 1.00 0.00 N ATOM 1713 CA GLY A 112 26.735 2.503 13.442 1.00 0.00 C ATOM 1714 C GLY A 112 26.921 2.402 14.943 1.00 0.00 C ATOM 1715 O GLY A 112 27.300 1.350 15.458 1.00 0.00 O ATOM 0 H GLY A 112 25.048 1.517 12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 112 27.292 1.703 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 112 27.156 3.445 13.090 1.00 0.00 H new TER 1719 GLY A 112