USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 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 20 SER OG : rot 180:sc= 0.308 USER MOD Set 1.2: A 28 SER OG : rot 161:sc= 0.173 USER MOD Set 2.1: A 15 TYR OH : rot -141:sc= 0.813 USER MOD Set 2.2: A 70 CYS SG : rot -88:sc= 1.23 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 118:sc= -3.12! USER MOD Single : A 29 CYS SG : rot 180:sc=-0.00471 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -79:sc= 1.08 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.825 K(o=-0.83,f=-3.8!) USER MOD Single : A 54 ASN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0.136 K(o=0.14,f=-4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 76 MET CE :methyl -141:sc= -1.92 (180deg=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.578 3.074 -14.712 1.00 0.00 N ATOM 2 CA PRO A 1 -3.272 1.892 -15.569 1.00 0.00 C ATOM 3 C PRO A 1 -1.794 1.490 -15.490 1.00 0.00 C ATOM 4 O PRO A 1 -0.927 2.340 -15.272 1.00 0.00 O ATOM 5 CB PRO A 1 -3.649 2.253 -17.003 1.00 0.00 C ATOM 6 CG PRO A 1 -3.927 3.717 -16.950 1.00 0.00 C ATOM 7 CD PRO A 1 -4.358 4.017 -15.534 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.718 3.511 -14.381 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.107 2.793 -13.886 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.845 1.034 -15.218 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.840 2.026 -17.697 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -4.522 1.694 -17.338 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -3.039 4.291 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.708 3.990 -17.660 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.146 5.051 -15.264 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.430 3.867 -15.404 1.00 0.00 H new ATOM 17 N ARG A 2 -1.524 0.190 -15.667 1.00 0.00 N ATOM 18 CA ARG A 2 -0.161 -0.354 -15.618 1.00 0.00 C ATOM 19 C ARG A 2 0.395 -0.338 -14.191 1.00 0.00 C ATOM 20 O ARG A 2 0.316 0.677 -13.495 1.00 0.00 O ATOM 21 CB ARG A 2 0.775 0.419 -16.557 1.00 0.00 C ATOM 22 CG ARG A 2 1.385 -0.443 -17.652 1.00 0.00 C ATOM 23 CD ARG A 2 2.697 -1.073 -17.207 1.00 0.00 C ATOM 24 NE ARG A 2 3.158 -2.102 -18.143 1.00 0.00 N ATOM 25 CZ ARG A 2 4.102 -3.006 -17.861 1.00 0.00 C ATOM 26 NH1 ARG A 2 4.701 -3.013 -16.673 1.00 0.00 N ATOM 27 NH2 ARG A 2 4.452 -3.906 -18.777 1.00 0.00 N ATOM 0 H ARG A 2 -2.242 -0.512 -15.848 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.213 -1.390 -15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.221 1.237 -17.017 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.577 0.867 -15.970 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.681 -1.227 -17.932 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.556 0.165 -18.541 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.458 -0.298 -17.116 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.571 -1.513 -16.218 1.00 0.00 H new ATOM 0 HE ARG A 2 2.731 -2.130 -19.069 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.441 -2.324 -15.967 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.420 -3.707 -16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.000 -3.905 -19.692 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.172 -4.597 -18.564 1.00 0.00 H new ATOM 41 N VAL A 3 0.955 -1.476 -13.764 1.00 0.00 N ATOM 42 CA VAL A 3 1.523 -1.599 -12.421 1.00 0.00 C ATOM 43 C VAL A 3 2.743 -0.690 -12.258 1.00 0.00 C ATOM 44 O VAL A 3 3.717 -0.801 -13.008 1.00 0.00 O ATOM 45 CB VAL A 3 1.903 -3.068 -12.092 1.00 0.00 C ATOM 46 CG1 VAL A 3 2.967 -3.598 -13.046 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.363 -3.196 -10.645 1.00 0.00 C ATOM 0 H VAL A 3 1.026 -2.322 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 3 0.754 -1.284 -11.716 1.00 0.00 H new ATOM 0 HB VAL A 3 1.009 -3.677 -12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.208 -4.629 -12.786 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.590 -3.560 -14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.864 -2.984 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.624 -4.234 -10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.235 -2.563 -10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.559 -2.883 -9.979 1.00 0.00 H new ATOM 57 N ARG A 4 2.669 0.222 -11.285 1.00 0.00 N ATOM 58 CA ARG A 4 3.750 1.173 -11.025 1.00 0.00 C ATOM 59 C ARG A 4 4.015 1.325 -9.523 1.00 0.00 C ATOM 60 O ARG A 4 3.253 0.820 -8.695 1.00 0.00 O ATOM 61 CB ARG A 4 3.403 2.535 -11.640 1.00 0.00 C ATOM 62 CG ARG A 4 2.165 3.181 -11.038 1.00 0.00 C ATOM 63 CD ARG A 4 1.844 4.514 -11.700 1.00 0.00 C ATOM 64 NE ARG A 4 0.412 4.660 -11.978 1.00 0.00 N ATOM 65 CZ ARG A 4 -0.181 5.819 -12.275 1.00 0.00 C ATOM 66 NH1 ARG A 4 0.528 6.944 -12.352 1.00 0.00 N ATOM 67 NH2 ARG A 4 -1.492 5.856 -12.500 1.00 0.00 N ATOM 0 H ARG A 4 1.867 0.321 -10.662 1.00 0.00 H new ATOM 0 HA ARG A 4 4.659 0.786 -11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.251 3.208 -11.513 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.252 2.411 -12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.315 2.508 -11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.318 3.333 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.172 5.328 -11.054 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.404 4.600 -12.631 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.169 3.822 -11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.534 6.925 -12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.065 7.824 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.043 4.999 -12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.946 6.741 -12.727 1.00 0.00 H new ATOM 81 N SER A 5 5.103 2.020 -9.181 1.00 0.00 N ATOM 82 CA SER A 5 5.477 2.238 -7.783 1.00 0.00 C ATOM 83 C SER A 5 4.928 3.562 -7.258 1.00 0.00 C ATOM 84 O SER A 5 4.951 4.578 -7.956 1.00 0.00 O ATOM 85 CB SER A 5 7.002 2.215 -7.631 1.00 0.00 C ATOM 86 OG SER A 5 7.575 1.135 -8.348 1.00 0.00 O ATOM 0 H SER A 5 5.741 2.442 -9.856 1.00 0.00 H new ATOM 0 HA SER A 5 5.041 1.430 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.420 3.155 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.263 2.133 -6.576 1.00 0.00 H new ATOM 0 HG SER A 5 8.548 1.147 -8.234 1.00 0.00 H new ATOM 92 N VAL A 6 4.439 3.536 -6.019 1.00 0.00 N ATOM 93 CA VAL A 6 3.882 4.726 -5.375 1.00 0.00 C ATOM 94 C VAL A 6 4.691 5.110 -4.133 1.00 0.00 C ATOM 95 O VAL A 6 5.218 4.244 -3.434 1.00 0.00 O ATOM 96 CB VAL A 6 2.409 4.511 -4.964 1.00 0.00 C ATOM 97 CG1 VAL A 6 1.804 5.800 -4.422 1.00 0.00 C ATOM 98 CG2 VAL A 6 1.590 3.986 -6.134 1.00 0.00 C ATOM 0 H VAL A 6 4.417 2.698 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 6 3.933 5.532 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 6 2.387 3.764 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.766 5.624 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.368 6.127 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.845 6.572 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.556 3.843 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.624 4.704 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.003 3.034 -6.469 1.00 0.00 H new ATOM 108 N GLU A 7 4.775 6.414 -3.861 1.00 0.00 N ATOM 109 CA GLU A 7 5.511 6.916 -2.701 1.00 0.00 C ATOM 110 C GLU A 7 4.553 7.507 -1.664 1.00 0.00 C ATOM 111 O GLU A 7 4.062 8.625 -1.827 1.00 0.00 O ATOM 112 CB GLU A 7 6.533 7.970 -3.139 1.00 0.00 C ATOM 113 CG GLU A 7 7.739 7.390 -3.863 1.00 0.00 C ATOM 114 CD GLU A 7 8.127 8.188 -5.094 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.446 9.388 -4.948 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.114 7.613 -6.202 1.00 0.00 O ATOM 0 H GLU A 7 4.342 7.141 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 7 6.039 6.080 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.041 8.691 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.876 8.517 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.586 7.354 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.522 6.363 -4.155 1.00 0.00 H new ATOM 123 N VAL A 8 4.292 6.747 -0.598 1.00 0.00 N ATOM 124 CA VAL A 8 3.393 7.195 0.465 1.00 0.00 C ATOM 125 C VAL A 8 4.153 7.980 1.535 1.00 0.00 C ATOM 126 O VAL A 8 5.072 7.458 2.167 1.00 0.00 O ATOM 127 CB VAL A 8 2.658 6.006 1.129 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.539 6.504 2.032 1.00 0.00 C ATOM 129 CG2 VAL A 8 2.112 5.049 0.078 1.00 0.00 C ATOM 0 H VAL A 8 4.690 5.820 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 8 2.654 7.846 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 8 3.378 5.463 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.035 5.653 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.957 7.140 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.823 7.076 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.600 4.222 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.410 5.578 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.934 4.661 -0.523 1.00 0.00 H new ATOM 139 N ALA A 9 3.760 9.241 1.729 1.00 0.00 N ATOM 140 CA ALA A 9 4.397 10.112 2.712 1.00 0.00 C ATOM 141 C ALA A 9 3.735 9.986 4.083 1.00 0.00 C ATOM 142 O ALA A 9 2.799 10.720 4.401 1.00 0.00 O ATOM 143 CB ALA A 9 4.351 11.559 2.237 1.00 0.00 C ATOM 0 H ALA A 9 2.998 9.681 1.213 1.00 0.00 H new ATOM 0 HA ALA A 9 5.436 9.800 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.829 12.200 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.878 11.647 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.313 11.866 2.106 1.00 0.00 H new ATOM 149 N ARG A 10 4.237 9.054 4.890 1.00 0.00 N ATOM 150 CA ARG A 10 3.706 8.826 6.237 1.00 0.00 C ATOM 151 C ARG A 10 3.683 10.128 7.037 1.00 0.00 C ATOM 152 O ARG A 10 4.718 10.769 7.224 1.00 0.00 O ATOM 153 CB ARG A 10 4.550 7.780 6.975 1.00 0.00 C ATOM 154 CG ARG A 10 3.990 7.400 8.338 1.00 0.00 C ATOM 155 CD ARG A 10 4.924 6.460 9.086 1.00 0.00 C ATOM 156 NE ARG A 10 4.406 5.092 9.124 1.00 0.00 N ATOM 157 CZ ARG A 10 3.415 4.689 9.924 1.00 0.00 C ATOM 158 NH1 ARG A 10 2.845 5.540 10.774 1.00 0.00 N ATOM 159 NH2 ARG A 10 2.994 3.428 9.874 1.00 0.00 N ATOM 0 H ARG A 10 5.012 8.442 4.636 1.00 0.00 H new ATOM 0 HA ARG A 10 2.685 8.456 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.624 6.884 6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.562 8.165 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.829 8.301 8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.018 6.924 8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.903 6.464 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.065 6.823 10.104 1.00 0.00 H new ATOM 0 HE ARG A 10 4.828 4.403 8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.164 6.508 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.089 5.224 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.428 2.771 9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.237 3.118 10.484 1.00 0.00 H new ATOM 173 N GLY A 11 2.493 10.508 7.507 1.00 0.00 N ATOM 174 CA GLY A 11 2.348 11.731 8.283 1.00 0.00 C ATOM 175 C GLY A 11 3.213 11.735 9.530 1.00 0.00 C ATOM 176 O GLY A 11 4.180 12.491 9.619 1.00 0.00 O ATOM 0 H GLY A 11 1.627 9.989 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.611 12.586 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.303 11.854 8.569 1.00 0.00 H new ATOM 180 N ARG A 12 2.862 10.879 10.492 1.00 0.00 N ATOM 181 CA ARG A 12 3.607 10.766 11.747 1.00 0.00 C ATOM 182 C ARG A 12 3.222 9.492 12.493 1.00 0.00 C ATOM 183 O ARG A 12 4.085 8.703 12.877 1.00 0.00 O ATOM 184 CB ARG A 12 3.366 11.994 12.634 1.00 0.00 C ATOM 185 CG ARG A 12 4.525 12.983 12.634 1.00 0.00 C ATOM 186 CD ARG A 12 5.568 12.630 13.683 1.00 0.00 C ATOM 187 NE ARG A 12 5.293 13.263 14.974 1.00 0.00 N ATOM 188 CZ ARG A 12 6.202 13.416 15.944 1.00 0.00 C ATOM 189 NH1 ARG A 12 7.450 12.977 15.779 1.00 0.00 N ATOM 190 NH2 ARG A 12 5.863 14.008 17.084 1.00 0.00 N ATOM 0 H ARG A 12 2.061 10.251 10.424 1.00 0.00 H new ATOM 0 HA ARG A 12 4.669 10.717 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.464 12.504 12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.182 11.663 13.656 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.991 12.997 11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.146 13.987 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.600 11.548 13.811 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.553 12.939 13.332 1.00 0.00 H new ATOM 0 HE ARG A 12 4.349 13.609 15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.719 12.520 14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.136 13.098 16.524 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.910 14.346 17.220 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.556 14.125 17.824 1.00 0.00 H new ATOM 204 N ALA A 13 1.920 9.293 12.686 1.00 0.00 N ATOM 205 CA ALA A 13 1.420 8.109 13.377 1.00 0.00 C ATOM 206 C ALA A 13 0.440 7.315 12.501 1.00 0.00 C ATOM 207 O ALA A 13 -0.409 6.584 13.017 1.00 0.00 O ATOM 208 CB ALA A 13 0.758 8.507 14.691 1.00 0.00 C ATOM 0 H ALA A 13 1.193 9.937 12.373 1.00 0.00 H new ATOM 0 HA ALA A 13 2.271 7.461 13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.389 7.615 15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.486 9.010 15.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.075 9.181 14.489 1.00 0.00 H new ATOM 214 N GLY A 14 0.566 7.456 11.178 1.00 0.00 N ATOM 215 CA GLY A 14 -0.317 6.742 10.266 1.00 0.00 C ATOM 216 C GLY A 14 -0.535 7.483 8.956 1.00 0.00 C ATOM 217 O GLY A 14 -0.125 8.637 8.816 1.00 0.00 O ATOM 0 H GLY A 14 1.261 8.049 10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.103 5.758 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.280 6.580 10.751 1.00 0.00 H new ATOM 221 N TYR A 15 -1.188 6.818 7.999 1.00 0.00 N ATOM 222 CA TYR A 15 -1.467 7.424 6.697 1.00 0.00 C ATOM 223 C TYR A 15 -2.950 7.751 6.563 1.00 0.00 C ATOM 224 O TYR A 15 -3.326 8.914 6.424 1.00 0.00 O ATOM 225 CB TYR A 15 -1.042 6.500 5.544 1.00 0.00 C ATOM 226 CG TYR A 15 0.289 5.807 5.740 1.00 0.00 C ATOM 227 CD1 TYR A 15 0.379 4.623 6.460 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.453 6.331 5.190 1.00 0.00 C ATOM 229 CE1 TYR A 15 1.589 3.981 6.627 1.00 0.00 C ATOM 230 CE2 TYR A 15 2.666 5.691 5.349 1.00 0.00 C ATOM 231 CZ TYR A 15 2.731 4.519 6.068 1.00 0.00 C ATOM 232 OH TYR A 15 3.941 3.883 6.222 1.00 0.00 O ATOM 0 H TYR A 15 -1.532 5.863 8.102 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.886 8.344 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.812 5.742 5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.998 7.086 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.513 4.198 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.408 7.253 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.642 3.062 7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.561 6.108 4.911 1.00 0.00 H new ATOM 0 HH TYR A 15 4.645 4.550 6.363 1.00 0.00 H new ATOM 242 N GLY A 16 -3.782 6.712 6.601 1.00 0.00 N ATOM 243 CA GLY A 16 -5.219 6.894 6.473 1.00 0.00 C ATOM 244 C GLY A 16 -5.916 5.688 5.858 1.00 0.00 C ATOM 245 O GLY A 16 -7.056 5.381 6.205 1.00 0.00 O ATOM 0 H GLY A 16 -3.485 5.743 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.644 7.091 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.416 7.773 5.859 1.00 0.00 H new ATOM 249 N PHE A 17 -5.222 5.008 4.942 1.00 0.00 N ATOM 250 CA PHE A 17 -5.767 3.831 4.268 1.00 0.00 C ATOM 251 C PHE A 17 -5.853 2.632 5.217 1.00 0.00 C ATOM 252 O PHE A 17 -5.463 2.716 6.385 1.00 0.00 O ATOM 253 CB PHE A 17 -4.901 3.477 3.048 1.00 0.00 C ATOM 254 CG PHE A 17 -3.525 2.977 3.407 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.310 1.635 3.690 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.448 3.850 3.469 1.00 0.00 C ATOM 257 CE1 PHE A 17 -2.051 1.176 4.028 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.188 3.395 3.805 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.989 2.058 4.085 1.00 0.00 C ATOM 0 H PHE A 17 -4.277 5.256 4.650 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.778 4.070 3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.412 2.716 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.804 4.358 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.137 0.941 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.597 4.897 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.898 0.130 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.358 4.085 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.004 1.702 4.348 1.00 0.00 H new ATOM 269 N THR A 18 -6.367 1.514 4.701 1.00 0.00 N ATOM 270 CA THR A 18 -6.510 0.292 5.493 1.00 0.00 C ATOM 271 C THR A 18 -6.151 -0.947 4.669 1.00 0.00 C ATOM 272 O THR A 18 -6.453 -1.022 3.475 1.00 0.00 O ATOM 273 CB THR A 18 -7.944 0.168 6.024 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.409 1.412 6.520 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.087 -0.849 7.140 1.00 0.00 C ATOM 0 H THR A 18 -6.691 1.430 3.738 1.00 0.00 H new ATOM 0 HA THR A 18 -5.819 0.355 6.334 1.00 0.00 H new ATOM 0 HB THR A 18 -8.535 -0.164 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.325 1.310 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.126 -0.885 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.786 -1.832 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.452 -0.562 7.978 1.00 0.00 H new ATOM 283 N LEU A 19 -5.506 -1.919 5.320 1.00 0.00 N ATOM 284 CA LEU A 19 -5.102 -3.160 4.660 1.00 0.00 C ATOM 285 C LEU A 19 -5.793 -4.366 5.297 1.00 0.00 C ATOM 286 O LEU A 19 -5.681 -4.587 6.505 1.00 0.00 O ATOM 287 CB LEU A 19 -3.581 -3.331 4.747 1.00 0.00 C ATOM 288 CG LEU A 19 -2.844 -3.327 3.405 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.346 -3.161 3.620 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.136 -4.606 2.634 1.00 0.00 C ATOM 0 H LEU A 19 -5.252 -1.868 6.307 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.401 -3.101 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.177 -2.531 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.366 -4.270 5.258 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.202 -2.482 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.838 -3.160 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.154 -2.218 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.972 -3.986 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.604 -4.587 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.806 -5.466 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.207 -4.683 2.449 1.00 0.00 H new ATOM 302 N SER A 20 -6.501 -5.145 4.477 1.00 0.00 N ATOM 303 CA SER A 20 -7.209 -6.336 4.961 1.00 0.00 C ATOM 304 C SER A 20 -7.097 -7.493 3.964 1.00 0.00 C ATOM 305 O SER A 20 -6.666 -7.304 2.825 1.00 0.00 O ATOM 306 CB SER A 20 -8.687 -6.016 5.217 1.00 0.00 C ATOM 307 OG SER A 20 -8.842 -4.770 5.876 1.00 0.00 O ATOM 0 H SER A 20 -6.600 -4.975 3.476 1.00 0.00 H new ATOM 0 HA SER A 20 -6.740 -6.640 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.226 -5.997 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.132 -6.806 5.821 1.00 0.00 H new ATOM 0 HG SER A 20 -9.795 -4.594 6.023 1.00 0.00 H new ATOM 313 N GLY A 21 -7.487 -8.691 4.406 1.00 0.00 N ATOM 314 CA GLY A 21 -7.428 -9.867 3.548 1.00 0.00 C ATOM 315 C GLY A 21 -6.481 -10.935 4.073 1.00 0.00 C ATOM 316 O GLY A 21 -6.739 -12.131 3.916 1.00 0.00 O ATOM 0 H GLY A 21 -7.843 -8.867 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.428 -10.291 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.111 -9.567 2.549 1.00 0.00 H new ATOM 320 N GLN A 22 -5.380 -10.493 4.690 1.00 0.00 N ATOM 321 CA GLN A 22 -4.357 -11.381 5.254 1.00 0.00 C ATOM 322 C GLN A 22 -3.394 -11.882 4.179 1.00 0.00 C ATOM 323 O GLN A 22 -2.177 -11.862 4.371 1.00 0.00 O ATOM 324 CB GLN A 22 -4.986 -12.567 5.994 1.00 0.00 C ATOM 325 CG GLN A 22 -4.397 -12.795 7.378 1.00 0.00 C ATOM 326 CD GLN A 22 -3.933 -14.223 7.593 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.673 -15.055 8.113 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.699 -14.515 7.195 1.00 0.00 N ATOM 0 H GLN A 22 -5.172 -9.502 4.813 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.790 -10.791 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.059 -12.400 6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.854 -13.470 5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.555 -12.119 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.144 -12.543 8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.117 -13.795 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.334 -15.460 7.317 1.00 0.00 H new ATOM 337 N ALA A 23 -3.944 -12.331 3.054 1.00 0.00 N ATOM 338 CA ALA A 23 -3.140 -12.843 1.949 1.00 0.00 C ATOM 339 C ALA A 23 -3.004 -11.807 0.830 1.00 0.00 C ATOM 340 O ALA A 23 -1.903 -11.322 0.563 1.00 0.00 O ATOM 341 CB ALA A 23 -3.742 -14.135 1.421 1.00 0.00 C ATOM 0 H ALA A 23 -4.949 -12.350 2.884 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.138 -13.050 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.135 -14.509 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.768 -14.877 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.756 -13.946 1.068 1.00 0.00 H new ATOM 347 N PRO A 24 -4.119 -11.443 0.153 1.00 0.00 N ATOM 348 CA PRO A 24 -4.092 -10.463 -0.934 1.00 0.00 C ATOM 349 C PRO A 24 -4.056 -9.025 -0.420 1.00 0.00 C ATOM 350 O PRO A 24 -5.098 -8.441 -0.109 1.00 0.00 O ATOM 351 CB PRO A 24 -5.398 -10.739 -1.678 1.00 0.00 C ATOM 352 CG PRO A 24 -6.331 -11.225 -0.625 1.00 0.00 C ATOM 353 CD PRO A 24 -5.488 -11.959 0.388 1.00 0.00 C ATOM 0 HA PRO A 24 -3.201 -10.559 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.778 -9.838 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.259 -11.485 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.859 -10.392 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.087 -11.884 -1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.821 -11.758 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.539 -13.038 0.243 1.00 0.00 H new ATOM 361 N CYS A 25 -2.853 -8.458 -0.338 1.00 0.00 N ATOM 362 CA CYS A 25 -2.686 -7.085 0.132 1.00 0.00 C ATOM 363 C CYS A 25 -3.420 -6.120 -0.794 1.00 0.00 C ATOM 364 O CYS A 25 -3.068 -5.985 -1.967 1.00 0.00 O ATOM 365 CB CYS A 25 -1.203 -6.715 0.209 1.00 0.00 C ATOM 366 SG CYS A 25 -0.309 -7.527 1.554 1.00 0.00 S ATOM 0 H CYS A 25 -1.983 -8.927 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.112 -7.010 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.726 -6.971 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.115 -5.635 0.328 1.00 0.00 H new ATOM 0 HG CYS A 25 0.628 -8.281 1.060 1.00 0.00 H new ATOM 372 N VAL A 26 -4.454 -5.468 -0.270 1.00 0.00 N ATOM 373 CA VAL A 26 -5.248 -4.533 -1.057 1.00 0.00 C ATOM 374 C VAL A 26 -5.808 -3.412 -0.185 1.00 0.00 C ATOM 375 O VAL A 26 -6.176 -3.638 0.970 1.00 0.00 O ATOM 376 CB VAL A 26 -6.409 -5.264 -1.771 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.301 -5.981 -0.763 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.221 -4.301 -2.627 1.00 0.00 C ATOM 0 H VAL A 26 -4.761 -5.571 0.697 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.588 -4.095 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.975 -6.014 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.110 -6.488 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.711 -6.714 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.720 -5.255 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.030 -4.843 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.639 -3.517 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.575 -3.853 -3.382 1.00 0.00 H new ATOM 388 N LEU A 27 -5.871 -2.204 -0.746 1.00 0.00 N ATOM 389 CA LEU A 27 -6.391 -1.050 -0.019 1.00 0.00 C ATOM 390 C LEU A 27 -7.909 -1.142 0.123 1.00 0.00 C ATOM 391 O LEU A 27 -8.654 -0.658 -0.733 1.00 0.00 O ATOM 392 CB LEU A 27 -6.007 0.255 -0.725 1.00 0.00 C ATOM 393 CG LEU A 27 -4.719 0.912 -0.223 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.505 0.274 -0.883 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.751 2.410 -0.486 1.00 0.00 C ATOM 0 H LEU A 27 -5.569 -2.001 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.946 -1.051 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.903 0.055 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.826 0.965 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.644 0.755 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.597 0.753 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.477 -0.789 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.570 0.401 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.828 2.863 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.847 2.589 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.601 2.853 0.034 1.00 0.00 H new ATOM 407 N SER A 28 -8.357 -1.773 1.208 1.00 0.00 N ATOM 408 CA SER A 28 -9.787 -1.942 1.477 1.00 0.00 C ATOM 409 C SER A 28 -10.528 -0.609 1.411 1.00 0.00 C ATOM 410 O SER A 28 -11.647 -0.538 0.902 1.00 0.00 O ATOM 411 CB SER A 28 -9.999 -2.589 2.848 1.00 0.00 C ATOM 412 OG SER A 28 -9.039 -3.604 3.091 1.00 0.00 O ATOM 0 H SER A 28 -7.748 -2.178 1.919 1.00 0.00 H new ATOM 0 HA SER A 28 -10.194 -2.595 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.933 -1.828 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.002 -3.013 2.902 1.00 0.00 H new ATOM 0 HG SER A 28 -8.987 -3.781 4.053 1.00 0.00 H new ATOM 418 N CYS A 29 -9.897 0.444 1.930 1.00 0.00 N ATOM 419 CA CYS A 29 -10.492 1.777 1.930 1.00 0.00 C ATOM 420 C CYS A 29 -9.437 2.850 2.198 1.00 0.00 C ATOM 421 O CYS A 29 -8.374 2.566 2.755 1.00 0.00 O ATOM 422 CB CYS A 29 -11.603 1.867 2.979 1.00 0.00 C ATOM 423 SG CYS A 29 -12.832 3.152 2.648 1.00 0.00 S ATOM 0 H CYS A 29 -8.972 0.398 2.356 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.919 1.952 0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.109 0.903 3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.153 2.053 3.954 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.729 3.147 3.589 1.00 0.00 H new ATOM 429 N VAL A 30 -9.745 4.083 1.799 1.00 0.00 N ATOM 430 CA VAL A 30 -8.836 5.208 1.991 1.00 0.00 C ATOM 431 C VAL A 30 -9.586 6.409 2.570 1.00 0.00 C ATOM 432 O VAL A 30 -10.800 6.533 2.398 1.00 0.00 O ATOM 433 CB VAL A 30 -8.150 5.617 0.664 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.962 6.532 0.926 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.706 4.386 -0.115 1.00 0.00 C ATOM 0 H VAL A 30 -10.622 4.327 1.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.065 4.888 2.692 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.879 6.163 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.497 6.805 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.302 7.433 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.235 6.014 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.227 4.696 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.999 3.812 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.574 3.768 -0.344 1.00 0.00 H new ATOM 445 N MET A 31 -8.858 7.288 3.257 1.00 0.00 N ATOM 446 CA MET A 31 -9.448 8.472 3.857 1.00 0.00 C ATOM 447 C MET A 31 -9.009 9.721 3.111 1.00 0.00 C ATOM 448 O MET A 31 -7.864 10.162 3.234 1.00 0.00 O ATOM 449 CB MET A 31 -9.059 8.581 5.334 1.00 0.00 C ATOM 450 CG MET A 31 -9.641 7.479 6.207 1.00 0.00 C ATOM 451 SD MET A 31 -10.067 8.059 7.861 1.00 0.00 S ATOM 452 CE MET A 31 -10.886 6.611 8.526 1.00 0.00 C ATOM 0 H MET A 31 -7.854 7.197 3.409 1.00 0.00 H new ATOM 0 HA MET A 31 -10.532 8.383 3.788 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.972 8.560 5.416 1.00 0.00 H new ATOM 0 HB3 MET A 31 -9.389 9.547 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 31 -10.532 7.073 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.921 6.664 6.286 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.209 6.813 9.547 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.753 6.369 7.912 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.194 5.769 8.524 1.00 0.00 H new ATOM 462 N ARG A 32 -9.935 10.275 2.339 1.00 0.00 N ATOM 463 CA ARG A 32 -9.690 11.480 1.549 1.00 0.00 C ATOM 464 C ARG A 32 -8.924 12.523 2.362 1.00 0.00 C ATOM 465 O ARG A 32 -9.455 13.084 3.323 1.00 0.00 O ATOM 466 CB ARG A 32 -11.015 12.071 1.069 1.00 0.00 C ATOM 467 CG ARG A 32 -11.859 11.116 0.237 1.00 0.00 C ATOM 468 CD ARG A 32 -13.344 11.265 0.541 1.00 0.00 C ATOM 469 NE ARG A 32 -13.646 11.027 1.956 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.802 11.995 2.871 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.684 13.279 2.529 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.074 11.678 4.131 1.00 0.00 N ATOM 0 H ARG A 32 -10.880 9.903 2.241 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.084 11.202 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.594 12.388 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.809 12.964 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.684 11.304 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.548 10.090 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.671 12.268 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.911 10.565 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.744 10.060 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.473 13.532 1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.805 14.007 3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.164 10.699 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.193 12.413 4.828 1.00 0.00 H new ATOM 486 N GLY A 33 -7.675 12.763 1.977 1.00 0.00 N ATOM 487 CA GLY A 33 -6.844 13.723 2.682 1.00 0.00 C ATOM 488 C GLY A 33 -5.516 13.134 3.130 1.00 0.00 C ATOM 489 O GLY A 33 -4.587 13.875 3.462 1.00 0.00 O ATOM 0 H GLY A 33 -7.221 12.307 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.657 14.579 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.384 14.094 3.553 1.00 0.00 H new ATOM 493 N SER A 34 -5.420 11.805 3.132 1.00 0.00 N ATOM 494 CA SER A 34 -4.193 11.122 3.528 1.00 0.00 C ATOM 495 C SER A 34 -3.193 11.112 2.367 1.00 0.00 C ATOM 496 O SER A 34 -3.572 11.334 1.214 1.00 0.00 O ATOM 497 CB SER A 34 -4.507 9.688 3.974 1.00 0.00 C ATOM 498 OG SER A 34 -5.382 9.041 3.063 1.00 0.00 O ATOM 0 H SER A 34 -6.180 11.180 2.863 1.00 0.00 H new ATOM 0 HA SER A 34 -3.747 11.659 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.580 9.120 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.959 9.705 4.965 1.00 0.00 H new ATOM 0 HG SER A 34 -6.301 9.340 3.224 1.00 0.00 H new ATOM 504 N PRO A 35 -1.899 10.844 2.651 1.00 0.00 N ATOM 505 CA PRO A 35 -0.851 10.796 1.618 1.00 0.00 C ATOM 506 C PRO A 35 -1.172 9.806 0.494 1.00 0.00 C ATOM 507 O PRO A 35 -0.687 9.956 -0.628 1.00 0.00 O ATOM 508 CB PRO A 35 0.404 10.348 2.385 1.00 0.00 C ATOM 509 CG PRO A 35 -0.097 9.797 3.677 1.00 0.00 C ATOM 510 CD PRO A 35 -1.355 10.556 3.986 1.00 0.00 C ATOM 0 HA PRO A 35 -0.739 11.760 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.958 9.595 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.082 11.185 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.295 8.728 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.641 9.925 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.047 9.965 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.149 11.469 4.544 1.00 0.00 H new ATOM 518 N ALA A 36 -1.995 8.802 0.804 1.00 0.00 N ATOM 519 CA ALA A 36 -2.386 7.795 -0.178 1.00 0.00 C ATOM 520 C ALA A 36 -3.286 8.390 -1.258 1.00 0.00 C ATOM 521 O ALA A 36 -3.060 8.180 -2.450 1.00 0.00 O ATOM 522 CB ALA A 36 -3.085 6.627 0.508 1.00 0.00 C ATOM 0 H ALA A 36 -2.403 8.667 1.729 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.479 7.431 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.370 5.885 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.409 6.173 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.977 6.987 1.021 1.00 0.00 H new ATOM 528 N ASP A 37 -4.304 9.136 -0.831 1.00 0.00 N ATOM 529 CA ASP A 37 -5.243 9.765 -1.762 1.00 0.00 C ATOM 530 C ASP A 37 -4.547 10.813 -2.630 1.00 0.00 C ATOM 531 O ASP A 37 -4.937 11.033 -3.777 1.00 0.00 O ATOM 532 CB ASP A 37 -6.411 10.403 -1.005 1.00 0.00 C ATOM 533 CG ASP A 37 -7.670 9.561 -1.067 1.00 0.00 C ATOM 534 OD1 ASP A 37 -8.141 9.270 -2.187 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.190 9.190 0.006 1.00 0.00 O ATOM 0 H ASP A 37 -4.500 9.320 0.153 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.631 8.983 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.127 10.551 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.616 11.389 -1.423 1.00 0.00 H new ATOM 540 N PHE A 38 -3.515 11.456 -2.079 1.00 0.00 N ATOM 541 CA PHE A 38 -2.764 12.479 -2.810 1.00 0.00 C ATOM 542 C PHE A 38 -2.214 11.929 -4.130 1.00 0.00 C ATOM 543 O PHE A 38 -2.136 12.650 -5.124 1.00 0.00 O ATOM 544 CB PHE A 38 -1.608 13.007 -1.956 1.00 0.00 C ATOM 545 CG PHE A 38 -2.037 13.794 -0.742 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.350 14.221 -0.586 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.115 14.108 0.242 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.730 14.941 0.529 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.491 14.832 1.358 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.799 15.249 1.502 1.00 0.00 C ATOM 0 H PHE A 38 -3.181 11.287 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.452 13.294 -3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.999 12.164 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.973 13.638 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.081 13.987 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.090 13.784 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.755 15.263 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.761 15.071 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.094 15.815 2.373 1.00 0.00 H new ATOM 560 N VAL A 39 -1.836 10.649 -4.130 1.00 0.00 N ATOM 561 CA VAL A 39 -1.293 10.008 -5.329 1.00 0.00 C ATOM 562 C VAL A 39 -2.406 9.383 -6.178 1.00 0.00 C ATOM 563 O VAL A 39 -2.280 9.285 -7.399 1.00 0.00 O ATOM 564 CB VAL A 39 -0.261 8.916 -4.971 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.446 8.414 -6.223 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.748 9.439 -3.954 1.00 0.00 C ATOM 0 H VAL A 39 -1.896 10.038 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.797 10.791 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.793 8.078 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.169 7.645 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.287 7.994 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.963 9.243 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.465 8.654 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.275 10.297 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.226 9.741 -3.046 1.00 0.00 H new ATOM 576 N GLY A 40 -3.488 8.962 -5.524 1.00 0.00 N ATOM 577 CA GLY A 40 -4.599 8.351 -6.236 1.00 0.00 C ATOM 578 C GLY A 40 -5.111 7.077 -5.577 1.00 0.00 C ATOM 579 O GLY A 40 -6.165 6.565 -5.960 1.00 0.00 O ATOM 0 H GLY A 40 -3.614 9.033 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.416 9.069 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.287 8.124 -7.255 1.00 0.00 H new ATOM 583 N LEU A 41 -4.371 6.565 -4.589 1.00 0.00 N ATOM 584 CA LEU A 41 -4.764 5.347 -3.880 1.00 0.00 C ATOM 585 C LEU A 41 -6.180 5.473 -3.328 1.00 0.00 C ATOM 586 O LEU A 41 -6.448 6.315 -2.468 1.00 0.00 O ATOM 587 CB LEU A 41 -3.785 5.056 -2.737 1.00 0.00 C ATOM 588 CG LEU A 41 -2.340 4.780 -3.163 1.00 0.00 C ATOM 589 CD1 LEU A 41 -1.396 4.891 -1.974 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.229 3.408 -3.808 1.00 0.00 C ATOM 0 H LEU A 41 -3.496 6.976 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.740 4.520 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.788 5.905 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.152 4.195 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.050 5.531 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.375 4.691 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.453 5.896 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.683 4.165 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.196 3.228 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.540 2.645 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.872 3.366 -4.687 1.00 0.00 H new ATOM 602 N ARG A 42 -7.084 4.629 -3.829 1.00 0.00 N ATOM 603 CA ARG A 42 -8.470 4.633 -3.396 1.00 0.00 C ATOM 604 C ARG A 42 -8.874 3.227 -2.940 1.00 0.00 C ATOM 605 O ARG A 42 -8.028 2.434 -2.524 1.00 0.00 O ATOM 606 CB ARG A 42 -9.372 5.123 -4.542 1.00 0.00 C ATOM 607 CG ARG A 42 -9.385 4.200 -5.755 1.00 0.00 C ATOM 608 CD ARG A 42 -10.525 4.538 -6.704 1.00 0.00 C ATOM 609 NE ARG A 42 -11.779 3.882 -6.324 1.00 0.00 N ATOM 610 CZ ARG A 42 -12.822 3.728 -7.144 1.00 0.00 C ATOM 611 NH1 ARG A 42 -12.769 4.174 -8.397 1.00 0.00 N ATOM 612 NH2 ARG A 42 -13.922 3.122 -6.710 1.00 0.00 N ATOM 0 H ARG A 42 -6.871 3.930 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.588 5.314 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.390 5.231 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.040 6.113 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.435 4.280 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.480 3.166 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.673 5.618 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.253 4.238 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.860 3.520 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.927 4.638 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.570 4.052 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.969 2.775 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.719 3.004 -7.335 1.00 0.00 H new ATOM 626 N ALA A 43 -10.161 2.921 -3.038 1.00 0.00 N ATOM 627 CA ALA A 43 -10.672 1.611 -2.651 1.00 0.00 C ATOM 628 C ALA A 43 -10.750 0.690 -3.865 1.00 0.00 C ATOM 629 O ALA A 43 -11.649 0.826 -4.699 1.00 0.00 O ATOM 630 CB ALA A 43 -12.040 1.741 -1.995 1.00 0.00 C ATOM 0 H ALA A 43 -10.873 3.564 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.984 1.175 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.404 0.753 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.959 2.365 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.738 2.199 -2.696 1.00 0.00 H new ATOM 636 N GLY A 44 -9.800 -0.241 -3.962 1.00 0.00 N ATOM 637 CA GLY A 44 -9.778 -1.170 -5.084 1.00 0.00 C ATOM 638 C GLY A 44 -8.375 -1.482 -5.582 1.00 0.00 C ATOM 639 O GLY A 44 -8.146 -2.544 -6.164 1.00 0.00 O ATOM 0 H GLY A 44 -9.047 -0.369 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.265 -2.099 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.362 -0.752 -5.904 1.00 0.00 H new ATOM 643 N ASP A 45 -7.434 -0.559 -5.362 1.00 0.00 N ATOM 644 CA ASP A 45 -6.052 -0.750 -5.800 1.00 0.00 C ATOM 645 C ASP A 45 -5.413 -1.947 -5.098 1.00 0.00 C ATOM 646 O ASP A 45 -5.275 -1.957 -3.872 1.00 0.00 O ATOM 647 CB ASP A 45 -5.222 0.511 -5.538 1.00 0.00 C ATOM 648 CG ASP A 45 -5.191 1.444 -6.732 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.546 1.091 -7.745 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.814 2.523 -6.659 1.00 0.00 O ATOM 0 H ASP A 45 -7.606 0.326 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.069 -0.946 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.633 1.040 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.203 0.224 -5.279 1.00 0.00 H new ATOM 655 N GLN A 46 -5.026 -2.953 -5.883 1.00 0.00 N ATOM 656 CA GLN A 46 -4.402 -4.154 -5.337 1.00 0.00 C ATOM 657 C GLN A 46 -2.908 -3.935 -5.114 1.00 0.00 C ATOM 658 O GLN A 46 -2.204 -3.437 -5.997 1.00 0.00 O ATOM 659 CB GLN A 46 -4.623 -5.350 -6.271 1.00 0.00 C ATOM 660 CG GLN A 46 -5.528 -6.423 -5.684 1.00 0.00 C ATOM 661 CD GLN A 46 -5.667 -7.629 -6.594 1.00 0.00 C ATOM 662 OE1 GLN A 46 -5.204 -8.722 -6.270 1.00 0.00 O ATOM 663 NE2 GLN A 46 -6.309 -7.439 -7.742 1.00 0.00 N ATOM 0 H GLN A 46 -5.134 -2.958 -6.897 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.869 -4.368 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.055 -4.995 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.658 -5.794 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.129 -6.743 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.514 -5.999 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.678 -6.517 -7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.433 -8.215 -8.392 1.00 0.00 H new ATOM 672 N ILE A 47 -2.435 -4.315 -3.934 1.00 0.00 N ATOM 673 CA ILE A 47 -1.025 -4.172 -3.582 1.00 0.00 C ATOM 674 C ILE A 47 -0.251 -5.435 -3.947 1.00 0.00 C ATOM 675 O ILE A 47 -0.688 -6.552 -3.656 1.00 0.00 O ATOM 676 CB ILE A 47 -0.838 -3.891 -2.075 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.817 -2.812 -1.598 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.595 -3.475 -1.788 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.930 -2.723 -0.093 1.00 0.00 C ATOM 0 H ILE A 47 -3.010 -4.727 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.640 -3.323 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.050 -4.809 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.498 -1.845 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.802 -3.016 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.711 -3.280 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.273 -4.275 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.831 -2.571 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.639 -1.939 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.278 -3.677 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.954 -2.488 0.332 1.00 0.00 H new ATOM 691 N LEU A 48 0.897 -5.251 -4.589 1.00 0.00 N ATOM 692 CA LEU A 48 1.735 -6.373 -5.003 1.00 0.00 C ATOM 693 C LEU A 48 3.095 -6.322 -4.309 1.00 0.00 C ATOM 694 O LEU A 48 3.564 -7.326 -3.777 1.00 0.00 O ATOM 695 CB LEU A 48 1.902 -6.376 -6.525 1.00 0.00 C ATOM 696 CG LEU A 48 0.595 -6.257 -7.315 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.235 -4.795 -7.543 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.693 -6.994 -8.643 1.00 0.00 C ATOM 0 H LEU A 48 1.270 -4.334 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 48 1.242 -7.299 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.556 -5.551 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.405 -7.297 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.197 -6.720 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.696 -4.733 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.112 -4.296 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.032 -4.308 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.248 -6.894 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.501 -6.567 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.896 -8.049 -8.459 1.00 0.00 H new ATOM 710 N ALA A 49 3.716 -5.144 -4.312 1.00 0.00 N ATOM 711 CA ALA A 49 5.014 -4.952 -3.672 1.00 0.00 C ATOM 712 C ALA A 49 4.902 -3.965 -2.512 1.00 0.00 C ATOM 713 O ALA A 49 4.247 -2.931 -2.630 1.00 0.00 O ATOM 714 CB ALA A 49 6.040 -4.465 -4.684 1.00 0.00 C ATOM 0 H ALA A 49 3.338 -4.305 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 49 5.345 -5.912 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.002 -4.327 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.144 -5.202 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.711 -3.516 -5.108 1.00 0.00 H new ATOM 720 N VAL A 50 5.551 -4.290 -1.395 1.00 0.00 N ATOM 721 CA VAL A 50 5.533 -3.431 -0.214 1.00 0.00 C ATOM 722 C VAL A 50 6.946 -3.265 0.327 1.00 0.00 C ATOM 723 O VAL A 50 7.534 -4.214 0.846 1.00 0.00 O ATOM 724 CB VAL A 50 4.619 -3.991 0.902 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.473 -2.984 2.034 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.253 -4.371 0.339 1.00 0.00 C ATOM 0 H VAL A 50 6.097 -5.144 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 50 5.131 -2.466 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 50 5.084 -4.891 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.827 -3.398 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.454 -2.768 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.034 -2.064 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.626 -4.763 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.780 -3.490 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.376 -5.133 -0.431 1.00 0.00 H new ATOM 736 N ASN A 51 7.495 -2.061 0.166 1.00 0.00 N ATOM 737 CA ASN A 51 8.856 -1.762 0.601 1.00 0.00 C ATOM 738 C ASN A 51 9.856 -2.355 -0.394 1.00 0.00 C ATOM 739 O ASN A 51 10.942 -2.789 -0.020 1.00 0.00 O ATOM 740 CB ASN A 51 9.111 -2.298 2.018 1.00 0.00 C ATOM 741 CG ASN A 51 9.998 -1.377 2.843 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.234 -0.227 2.473 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.491 -1.878 3.971 1.00 0.00 N ATOM 0 H ASN A 51 7.013 -1.273 -0.266 1.00 0.00 H new ATOM 0 HA ASN A 51 8.986 -0.680 0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.157 -2.431 2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.577 -3.281 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.089 -1.304 4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.271 -2.836 4.242 1.00 0.00 H new ATOM 750 N GLU A 52 9.449 -2.363 -1.672 1.00 0.00 N ATOM 751 CA GLU A 52 10.258 -2.890 -2.775 1.00 0.00 C ATOM 752 C GLU A 52 10.247 -4.427 -2.836 1.00 0.00 C ATOM 753 O GLU A 52 10.833 -5.014 -3.748 1.00 0.00 O ATOM 754 CB GLU A 52 11.699 -2.341 -2.720 1.00 0.00 C ATOM 755 CG GLU A 52 12.739 -3.292 -2.130 1.00 0.00 C ATOM 756 CD GLU A 52 14.105 -3.121 -2.763 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.359 -3.751 -3.811 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.923 -2.350 -2.215 1.00 0.00 O ATOM 0 H GLU A 52 8.543 -2.001 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 52 9.796 -2.540 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.007 -2.074 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.698 -1.422 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.815 -3.121 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.405 -4.321 -2.266 1.00 0.00 H new ATOM 765 N ILE A 53 9.574 -5.076 -1.880 1.00 0.00 N ATOM 766 CA ILE A 53 9.501 -6.535 -1.862 1.00 0.00 C ATOM 767 C ILE A 53 8.082 -7.020 -2.156 1.00 0.00 C ATOM 768 O ILE A 53 7.133 -6.667 -1.450 1.00 0.00 O ATOM 769 CB ILE A 53 9.982 -7.125 -0.513 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.343 -6.393 0.670 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.501 -7.054 -0.423 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.689 -7.000 2.014 1.00 0.00 C ATOM 0 H ILE A 53 9.077 -4.617 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 53 10.170 -6.889 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 53 9.672 -8.169 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.662 -5.351 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.260 -6.396 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.829 -7.471 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.941 -7.625 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.821 -6.015 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.202 -6.431 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.345 -8.034 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.769 -6.973 2.158 1.00 0.00 H new ATOM 784 N ASN A 54 7.947 -7.822 -3.213 1.00 0.00 N ATOM 785 CA ASN A 54 6.650 -8.359 -3.621 1.00 0.00 C ATOM 786 C ASN A 54 6.072 -9.273 -2.545 1.00 0.00 C ATOM 787 O ASN A 54 6.712 -10.240 -2.127 1.00 0.00 O ATOM 788 CB ASN A 54 6.779 -9.126 -4.940 1.00 0.00 C ATOM 789 CG ASN A 54 6.169 -8.374 -6.107 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.865 -7.672 -6.839 1.00 0.00 O ATOM 791 ND2 ASN A 54 4.860 -8.515 -6.285 1.00 0.00 N ATOM 0 H ASN A 54 8.725 -8.115 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 54 5.970 -7.519 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.832 -9.317 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.292 -10.096 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.395 -8.031 -7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.320 -9.107 -5.654 1.00 0.00 H new ATOM 798 N VAL A 55 4.861 -8.951 -2.102 1.00 0.00 N ATOM 799 CA VAL A 55 4.188 -9.731 -1.070 1.00 0.00 C ATOM 800 C VAL A 55 2.725 -9.999 -1.440 1.00 0.00 C ATOM 801 O VAL A 55 1.809 -9.701 -0.669 1.00 0.00 O ATOM 802 CB VAL A 55 4.259 -9.016 0.298 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.663 -9.120 0.879 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.837 -7.557 0.169 1.00 0.00 C ATOM 0 H VAL A 55 4.325 -8.153 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 55 4.707 -10.687 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 55 3.566 -9.509 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.697 -8.612 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.924 -10.170 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.374 -8.653 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.895 -7.074 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.501 -7.047 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.813 -7.506 -0.201 1.00 0.00 H new ATOM 814 N LYS A 56 2.518 -10.563 -2.632 1.00 0.00 N ATOM 815 CA LYS A 56 1.170 -10.873 -3.115 1.00 0.00 C ATOM 816 C LYS A 56 0.481 -11.912 -2.230 1.00 0.00 C ATOM 817 O LYS A 56 -0.725 -11.832 -1.997 1.00 0.00 O ATOM 818 CB LYS A 56 1.215 -11.373 -4.564 1.00 0.00 C ATOM 819 CG LYS A 56 1.816 -10.373 -5.544 1.00 0.00 C ATOM 820 CD LYS A 56 1.362 -10.646 -6.971 1.00 0.00 C ATOM 821 CE LYS A 56 2.442 -11.348 -7.779 1.00 0.00 C ATOM 822 NZ LYS A 56 1.873 -12.366 -8.705 1.00 0.00 N ATOM 0 H LYS A 56 3.265 -10.814 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 56 0.591 -9.951 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.793 -12.296 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.203 -11.618 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.527 -9.362 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.904 -10.420 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.462 -11.260 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.098 -9.706 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.003 -10.610 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.147 -11.829 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.643 -12.821 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.359 -13.085 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.219 -11.904 -9.369 1.00 0.00 H new ATOM 836 N LYS A 57 1.252 -12.884 -1.740 1.00 0.00 N ATOM 837 CA LYS A 57 0.712 -13.934 -0.876 1.00 0.00 C ATOM 838 C LYS A 57 1.514 -14.052 0.428 1.00 0.00 C ATOM 839 O LYS A 57 1.571 -15.126 1.034 1.00 0.00 O ATOM 840 CB LYS A 57 0.710 -15.278 -1.613 1.00 0.00 C ATOM 841 CG LYS A 57 -0.444 -15.442 -2.593 1.00 0.00 C ATOM 842 CD LYS A 57 -1.091 -16.814 -2.475 1.00 0.00 C ATOM 843 CE LYS A 57 -2.593 -16.706 -2.260 1.00 0.00 C ATOM 844 NZ LYS A 57 -3.179 -17.974 -1.739 1.00 0.00 N ATOM 0 H LYS A 57 2.251 -12.966 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.312 -13.662 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.651 -15.387 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.668 -16.083 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.191 -14.670 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.081 -15.297 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.892 -17.390 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.642 -17.359 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.801 -15.897 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.075 -16.445 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.204 -17.855 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.004 -18.742 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.738 -18.211 -0.827 1.00 0.00 H new ATOM 858 N ALA A 58 2.129 -12.946 0.858 1.00 0.00 N ATOM 859 CA ALA A 58 2.920 -12.931 2.083 1.00 0.00 C ATOM 860 C ALA A 58 2.030 -12.782 3.316 1.00 0.00 C ATOM 861 O ALA A 58 0.801 -12.797 3.211 1.00 0.00 O ATOM 862 CB ALA A 58 3.952 -11.812 2.032 1.00 0.00 C ATOM 0 H ALA A 58 2.091 -12.050 0.372 1.00 0.00 H new ATOM 0 HA ALA A 58 3.440 -13.886 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.535 -11.813 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.616 -11.968 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.444 -10.853 1.925 1.00 0.00 H new ATOM 868 N SER A 59 2.653 -12.632 4.488 1.00 0.00 N ATOM 869 CA SER A 59 1.918 -12.476 5.729 1.00 0.00 C ATOM 870 C SER A 59 1.520 -11.030 5.941 1.00 0.00 C ATOM 871 O SER A 59 2.285 -10.104 5.663 1.00 0.00 O ATOM 872 CB SER A 59 2.753 -12.970 6.906 1.00 0.00 C ATOM 873 OG SER A 59 2.890 -14.380 6.882 1.00 0.00 O ATOM 0 H SER A 59 3.667 -12.616 4.595 1.00 0.00 H new ATOM 0 HA SER A 59 1.010 -13.076 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.739 -12.506 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.285 -12.664 7.841 1.00 0.00 H new ATOM 0 HG SER A 59 3.431 -14.669 7.646 1.00 0.00 H new ATOM 879 N HIS A 60 0.308 -10.860 6.430 1.00 0.00 N ATOM 880 CA HIS A 60 -0.252 -9.544 6.689 1.00 0.00 C ATOM 881 C HIS A 60 0.573 -8.772 7.711 1.00 0.00 C ATOM 882 O HIS A 60 0.863 -7.593 7.516 1.00 0.00 O ATOM 883 CB HIS A 60 -1.689 -9.694 7.164 1.00 0.00 C ATOM 884 CG HIS A 60 -2.575 -8.566 6.741 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.029 -8.409 5.449 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.086 -7.531 7.448 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.784 -7.326 5.381 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.833 -6.778 6.580 1.00 0.00 N ATOM 0 H HIS A 60 -0.319 -11.631 6.660 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.231 -8.971 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.095 -10.629 6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.699 -9.766 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.934 -7.335 8.499 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.277 -6.953 4.495 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.345 -5.930 6.822 1.00 0.00 H new ATOM 897 N GLU A 61 0.961 -9.447 8.787 1.00 0.00 N ATOM 898 CA GLU A 61 1.766 -8.814 9.828 1.00 0.00 C ATOM 899 C GLU A 61 3.117 -8.383 9.268 1.00 0.00 C ATOM 900 O GLU A 61 3.597 -7.289 9.559 1.00 0.00 O ATOM 901 CB GLU A 61 1.963 -9.761 11.015 1.00 0.00 C ATOM 902 CG GLU A 61 0.829 -9.705 12.025 1.00 0.00 C ATOM 903 CD GLU A 61 1.189 -10.340 13.354 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.113 -9.831 14.027 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.545 -11.344 13.725 1.00 0.00 O ATOM 0 H GLU A 61 0.734 -10.426 8.962 1.00 0.00 H new ATOM 0 HA GLU A 61 1.233 -7.930 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.060 -10.781 10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.899 -9.514 11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.547 -8.665 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.044 -10.210 11.612 1.00 0.00 H new ATOM 912 N ASP A 62 3.713 -9.250 8.451 1.00 0.00 N ATOM 913 CA ASP A 62 5.004 -8.957 7.834 1.00 0.00 C ATOM 914 C ASP A 62 4.896 -7.744 6.917 1.00 0.00 C ATOM 915 O ASP A 62 5.748 -6.855 6.944 1.00 0.00 O ATOM 916 CB ASP A 62 5.509 -10.165 7.037 1.00 0.00 C ATOM 917 CG ASP A 62 7.020 -10.318 7.090 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.725 -9.289 7.159 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.496 -11.472 7.059 1.00 0.00 O ATOM 0 H ASP A 62 3.323 -10.159 8.202 1.00 0.00 H new ATOM 0 HA ASP A 62 5.716 -8.737 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.043 -11.071 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.195 -10.065 5.998 1.00 0.00 H new ATOM 924 N VAL A 63 3.841 -7.716 6.107 1.00 0.00 N ATOM 925 CA VAL A 63 3.614 -6.611 5.178 1.00 0.00 C ATOM 926 C VAL A 63 3.382 -5.301 5.928 1.00 0.00 C ATOM 927 O VAL A 63 3.916 -4.258 5.546 1.00 0.00 O ATOM 928 CB VAL A 63 2.421 -6.887 4.236 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.216 -5.723 3.275 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.632 -8.186 3.469 1.00 0.00 C ATOM 0 H VAL A 63 3.129 -8.446 6.075 1.00 0.00 H new ATOM 0 HA VAL A 63 4.515 -6.521 4.572 1.00 0.00 H new ATOM 0 HB VAL A 63 1.522 -6.991 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.371 -5.936 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.015 -4.814 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.115 -5.584 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.781 -8.362 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.542 -8.113 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.724 -9.013 4.173 1.00 0.00 H new ATOM 940 N VAL A 64 2.605 -5.362 7.007 1.00 0.00 N ATOM 941 CA VAL A 64 2.332 -4.184 7.820 1.00 0.00 C ATOM 942 C VAL A 64 3.615 -3.712 8.485 1.00 0.00 C ATOM 943 O VAL A 64 3.866 -2.511 8.591 1.00 0.00 O ATOM 944 CB VAL A 64 1.257 -4.449 8.896 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.977 -3.185 9.699 1.00 0.00 C ATOM 946 CG2 VAL A 64 -0.026 -4.976 8.265 1.00 0.00 C ATOM 0 H VAL A 64 2.154 -6.216 7.337 1.00 0.00 H new ATOM 0 HA VAL A 64 1.946 -3.412 7.155 1.00 0.00 H new ATOM 0 HB VAL A 64 1.640 -5.211 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.217 -3.393 10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.893 -2.855 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.621 -2.401 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.768 -5.155 9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.412 -4.242 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.183 -5.909 7.741 1.00 0.00 H new ATOM 956 N LYS A 65 4.427 -4.675 8.927 1.00 0.00 N ATOM 957 CA LYS A 65 5.690 -4.370 9.579 1.00 0.00 C ATOM 958 C LYS A 65 6.584 -3.531 8.669 1.00 0.00 C ATOM 959 O LYS A 65 7.248 -2.599 9.127 1.00 0.00 O ATOM 960 CB LYS A 65 6.417 -5.657 9.984 1.00 0.00 C ATOM 961 CG LYS A 65 5.878 -6.293 11.257 1.00 0.00 C ATOM 962 CD LYS A 65 6.937 -6.350 12.347 1.00 0.00 C ATOM 963 CE LYS A 65 7.137 -4.995 13.008 1.00 0.00 C ATOM 964 NZ LYS A 65 7.843 -5.109 14.316 1.00 0.00 N ATOM 0 H LYS A 65 4.227 -5.672 8.842 1.00 0.00 H new ATOM 0 HA LYS A 65 5.470 -3.794 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.342 -6.377 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.476 -5.438 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.019 -5.724 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.525 -7.301 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.646 -7.083 13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.881 -6.690 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.709 -4.348 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.168 -4.519 13.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.958 -4.163 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.285 -5.705 14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.778 -5.539 14.169 1.00 0.00 H new ATOM 978 N LEU A 66 6.588 -3.861 7.378 1.00 0.00 N ATOM 979 CA LEU A 66 7.392 -3.129 6.402 1.00 0.00 C ATOM 980 C LEU A 66 6.881 -1.701 6.245 1.00 0.00 C ATOM 981 O LEU A 66 7.669 -0.754 6.198 1.00 0.00 O ATOM 982 CB LEU A 66 7.380 -3.838 5.046 1.00 0.00 C ATOM 983 CG LEU A 66 7.862 -5.289 5.065 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.308 -6.051 3.869 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.383 -5.347 5.083 1.00 0.00 C ATOM 0 H LEU A 66 6.044 -4.629 6.985 1.00 0.00 H new ATOM 0 HA LEU A 66 8.417 -3.097 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.364 -3.815 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.005 -3.274 4.353 1.00 0.00 H new ATOM 0 HG LEU A 66 7.492 -5.763 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.661 -7.082 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.219 -6.040 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.647 -5.578 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.707 -6.388 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.776 -4.856 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.756 -4.839 5.972 1.00 0.00 H new ATOM 997 N ILE A 67 5.559 -1.553 6.176 1.00 0.00 N ATOM 998 CA ILE A 67 4.941 -0.236 6.038 1.00 0.00 C ATOM 999 C ILE A 67 5.198 0.615 7.279 1.00 0.00 C ATOM 1000 O ILE A 67 5.429 1.821 7.178 1.00 0.00 O ATOM 1001 CB ILE A 67 3.419 -0.335 5.787 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.130 -1.268 4.607 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.830 1.047 5.531 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.720 -1.819 4.597 1.00 0.00 C ATOM 0 H ILE A 67 4.896 -2.328 6.213 1.00 0.00 H new ATOM 0 HA ILE A 67 5.399 0.239 5.170 1.00 0.00 H new ATOM 0 HB ILE A 67 2.949 -0.751 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.306 -0.728 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.835 -2.099 4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.758 0.959 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.005 1.684 6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.305 1.489 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.590 -2.471 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.545 -2.388 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.008 -0.996 4.541 1.00 0.00 H new ATOM 1016 N GLY A 68 5.182 -0.026 8.451 1.00 0.00 N ATOM 1017 CA GLY A 68 5.442 0.684 9.692 1.00 0.00 C ATOM 1018 C GLY A 68 6.932 0.830 9.981 1.00 0.00 C ATOM 1019 O GLY A 68 7.320 1.198 11.092 1.00 0.00 O ATOM 0 H GLY A 68 4.994 -1.023 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.986 1.673 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.966 0.154 10.517 1.00 0.00 H new ATOM 1023 N LYS A 69 7.766 0.541 8.976 1.00 0.00 N ATOM 1024 CA LYS A 69 9.218 0.638 9.110 1.00 0.00 C ATOM 1025 C LYS A 69 9.788 1.771 8.243 1.00 0.00 C ATOM 1026 O LYS A 69 10.940 2.174 8.424 1.00 0.00 O ATOM 1027 CB LYS A 69 9.856 -0.698 8.717 1.00 0.00 C ATOM 1028 CG LYS A 69 11.364 -0.750 8.923 1.00 0.00 C ATOM 1029 CD LYS A 69 11.783 -1.997 9.686 1.00 0.00 C ATOM 1030 CE LYS A 69 12.378 -3.046 8.758 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.154 -4.077 9.505 1.00 0.00 N ATOM 0 H LYS A 69 7.453 0.236 8.054 1.00 0.00 H new ATOM 0 HA LYS A 69 9.453 0.867 10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.393 -1.495 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.636 -0.899 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.865 -0.730 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.688 0.137 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.513 -1.729 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.920 -2.415 10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.578 -3.530 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.028 -2.560 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.542 -4.772 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.933 -3.620 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.529 -4.560 10.181 1.00 0.00 H new ATOM 1045 N CYS A 70 8.980 2.275 7.300 1.00 0.00 N ATOM 1046 CA CYS A 70 9.392 3.350 6.402 1.00 0.00 C ATOM 1047 C CYS A 70 10.090 4.486 7.152 1.00 0.00 C ATOM 1048 O CYS A 70 11.167 4.936 6.754 1.00 0.00 O ATOM 1049 CB CYS A 70 8.174 3.886 5.649 1.00 0.00 C ATOM 1050 SG CYS A 70 6.869 4.559 6.705 1.00 0.00 S ATOM 0 H CYS A 70 8.027 1.947 7.143 1.00 0.00 H new ATOM 0 HA CYS A 70 10.111 2.938 5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.503 4.664 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.755 3.082 5.044 1.00 0.00 H new ATOM 0 HG CYS A 70 6.061 3.604 7.058 1.00 0.00 H new ATOM 1056 N SER A 71 9.465 4.941 8.233 1.00 0.00 N ATOM 1057 CA SER A 71 10.004 6.025 9.050 1.00 0.00 C ATOM 1058 C SER A 71 10.048 7.336 8.261 1.00 0.00 C ATOM 1059 O SER A 71 10.952 8.156 8.449 1.00 0.00 O ATOM 1060 CB SER A 71 11.403 5.666 9.568 1.00 0.00 C ATOM 1061 OG SER A 71 11.555 6.039 10.927 1.00 0.00 O ATOM 0 H SER A 71 8.575 4.572 8.567 1.00 0.00 H new ATOM 0 HA SER A 71 9.342 6.164 9.904 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.570 4.594 9.461 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.158 6.168 8.963 1.00 0.00 H new ATOM 0 HG SER A 71 12.454 5.798 11.234 1.00 0.00 H new ATOM 1067 N GLY A 72 9.068 7.525 7.376 1.00 0.00 N ATOM 1068 CA GLY A 72 9.013 8.735 6.574 1.00 0.00 C ATOM 1069 C GLY A 72 8.331 8.531 5.232 1.00 0.00 C ATOM 1070 O GLY A 72 7.622 9.418 4.753 1.00 0.00 O ATOM 0 H GLY A 72 8.313 6.861 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.483 9.508 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.027 9.100 6.408 1.00 0.00 H new ATOM 1074 N VAL A 73 8.546 7.362 4.620 1.00 0.00 N ATOM 1075 CA VAL A 73 7.945 7.060 3.323 1.00 0.00 C ATOM 1076 C VAL A 73 8.203 5.617 2.898 1.00 0.00 C ATOM 1077 O VAL A 73 9.314 5.103 3.040 1.00 0.00 O ATOM 1078 CB VAL A 73 8.461 8.017 2.229 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.977 7.929 2.092 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.784 7.741 0.895 1.00 0.00 C ATOM 0 H VAL A 73 9.128 6.616 5.001 1.00 0.00 H new ATOM 0 HA VAL A 73 6.870 7.199 3.440 1.00 0.00 H new ATOM 0 HB VAL A 73 8.207 9.033 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.312 8.614 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.444 8.199 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.260 6.911 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.167 8.431 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.991 6.716 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.708 7.878 0.998 1.00 0.00 H new ATOM 1090 N LEU A 74 7.165 4.977 2.365 1.00 0.00 N ATOM 1091 CA LEU A 74 7.260 3.597 1.904 1.00 0.00 C ATOM 1092 C LEU A 74 7.121 3.518 0.387 1.00 0.00 C ATOM 1093 O LEU A 74 6.325 4.244 -0.214 1.00 0.00 O ATOM 1094 CB LEU A 74 6.182 2.738 2.568 1.00 0.00 C ATOM 1095 CG LEU A 74 6.198 1.260 2.169 1.00 0.00 C ATOM 1096 CD1 LEU A 74 7.213 0.490 2.997 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.811 0.653 2.316 1.00 0.00 C ATOM 0 H LEU A 74 6.243 5.397 2.242 1.00 0.00 H new ATOM 0 HA LEU A 74 8.243 3.217 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.297 2.808 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.205 3.155 2.324 1.00 0.00 H new ATOM 0 HG LEU A 74 6.493 1.191 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.208 -0.558 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.207 0.908 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.954 0.566 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.841 -0.398 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.486 0.736 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.111 1.185 1.672 1.00 0.00 H new ATOM 1109 N HIS A 75 7.892 2.619 -0.222 1.00 0.00 N ATOM 1110 CA HIS A 75 7.858 2.425 -1.666 1.00 0.00 C ATOM 1111 C HIS A 75 7.162 1.108 -2.003 1.00 0.00 C ATOM 1112 O HIS A 75 7.771 0.037 -1.937 1.00 0.00 O ATOM 1113 CB HIS A 75 9.278 2.441 -2.241 1.00 0.00 C ATOM 1114 CG HIS A 75 9.935 3.792 -2.188 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.769 4.262 -3.179 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.870 4.775 -1.257 1.00 0.00 C ATOM 1117 CE1 HIS A 75 11.189 5.474 -2.861 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.657 5.808 -1.699 1.00 0.00 N ATOM 0 H HIS A 75 8.550 2.012 0.267 1.00 0.00 H new ATOM 0 HA HIS A 75 7.295 3.243 -2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.891 1.727 -1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.245 2.103 -3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.304 4.750 -0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.854 6.087 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.807 6.690 -1.210 1.00 0.00 H new ATOM 1127 N MET A 76 5.877 1.195 -2.347 1.00 0.00 N ATOM 1128 CA MET A 76 5.085 0.013 -2.682 1.00 0.00 C ATOM 1129 C MET A 76 4.546 0.087 -4.109 1.00 0.00 C ATOM 1130 O MET A 76 4.235 1.167 -4.613 1.00 0.00 O ATOM 1131 CB MET A 76 3.928 -0.157 -1.690 1.00 0.00 C ATOM 1132 CG MET A 76 3.167 1.127 -1.396 1.00 0.00 C ATOM 1133 SD MET A 76 1.904 0.911 -0.127 1.00 0.00 S ATOM 1134 CE MET A 76 0.888 -0.367 -0.863 1.00 0.00 C ATOM 0 H MET A 76 5.362 2.074 -2.401 1.00 0.00 H new ATOM 0 HA MET A 76 5.742 -0.854 -2.614 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.232 -0.897 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.321 -0.556 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.870 1.896 -1.076 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.698 1.485 -2.313 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.162 -0.159 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.052 -0.387 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.155 -1.334 -0.437 1.00 0.00 H new ATOM 1144 N VAL A 77 4.435 -1.075 -4.750 1.00 0.00 N ATOM 1145 CA VAL A 77 3.935 -1.162 -6.118 1.00 0.00 C ATOM 1146 C VAL A 77 2.482 -1.635 -6.140 1.00 0.00 C ATOM 1147 O VAL A 77 2.185 -2.779 -5.792 1.00 0.00 O ATOM 1148 CB VAL A 77 4.795 -2.122 -6.969 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.373 -2.077 -8.430 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.274 -1.790 -6.827 1.00 0.00 C ATOM 0 H VAL A 77 4.687 -1.974 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 77 3.994 -0.161 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 77 4.635 -3.135 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.993 -2.761 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.328 -2.373 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.496 -1.064 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.861 -2.478 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.451 -0.768 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.570 -1.886 -5.782 1.00 0.00 H new ATOM 1160 N ILE A 78 1.585 -0.741 -6.556 1.00 0.00 N ATOM 1161 CA ILE A 78 0.157 -1.049 -6.632 1.00 0.00 C ATOM 1162 C ILE A 78 -0.269 -1.359 -8.068 1.00 0.00 C ATOM 1163 O ILE A 78 0.496 -1.154 -9.014 1.00 0.00 O ATOM 1164 CB ILE A 78 -0.704 0.120 -6.101 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.432 1.397 -6.907 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.435 0.350 -4.620 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -1.532 2.430 -6.804 1.00 0.00 C ATOM 0 H ILE A 78 1.824 0.207 -6.847 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.005 -1.927 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.755 -0.142 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.503 1.840 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.293 1.131 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.049 1.176 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.681 -0.553 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.618 0.591 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.268 3.304 -7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.465 2.006 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.657 2.726 -5.762 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.500 -1.847 -8.221 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.041 -2.180 -9.535 1.00 0.00 C ATOM 1181 C ALA A 79 -3.510 -1.772 -9.647 1.00 0.00 C ATOM 1182 O ALA A 79 -4.360 -2.270 -8.904 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.887 -3.668 -9.809 1.00 0.00 C ATOM 0 H ALA A 79 -2.142 -2.020 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.476 -1.622 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.295 -3.901 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.831 -3.936 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.425 -4.235 -9.049 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.798 -0.868 -10.584 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.160 -0.390 -10.807 1.00 0.00 C ATOM 1191 C GLU A 80 -6.031 -1.494 -11.406 1.00 0.00 C ATOM 1192 O GLU A 80 -5.750 -1.995 -12.497 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.145 0.830 -11.734 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.333 1.762 -11.552 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.927 3.127 -11.030 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.435 3.947 -11.836 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -6.100 3.374 -9.818 1.00 0.00 O ATOM 0 H GLU A 80 -3.102 -0.452 -11.202 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.584 -0.101 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.227 1.392 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.121 0.487 -12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.847 1.880 -12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.043 1.309 -10.860 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.086 -1.868 -10.681 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.985 -2.912 -11.147 1.00 0.00 C ATOM 1206 C GLY A 81 -9.113 -2.375 -12.007 1.00 0.00 C ATOM 1207 O GLY A 81 -9.143 -1.185 -12.332 1.00 0.00 O ATOM 0 H GLY A 81 -7.334 -1.465 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.417 -3.646 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.406 -3.433 -10.287 1.00 0.00 H new ATOM 1211 N VAL A 82 -10.046 -3.256 -12.377 1.00 0.00 N ATOM 1212 CA VAL A 82 -11.184 -2.871 -13.208 1.00 0.00 C ATOM 1213 C VAL A 82 -12.093 -1.869 -12.492 1.00 0.00 C ATOM 1214 O VAL A 82 -12.679 -0.990 -13.129 1.00 0.00 O ATOM 1215 CB VAL A 82 -12.012 -4.099 -13.645 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -11.290 -4.861 -14.747 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -12.318 -5.019 -12.465 1.00 0.00 C ATOM 0 H VAL A 82 -10.033 -4.241 -12.113 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.770 -2.394 -14.097 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.964 -3.737 -14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.887 -5.724 -15.044 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.145 -4.207 -15.607 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.321 -5.199 -14.381 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.902 -5.872 -12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.384 -5.372 -12.027 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.886 -4.471 -11.714 1.00 0.00 H new ATOM 1227 N GLY A 83 -12.200 -2.003 -11.167 1.00 0.00 N ATOM 1228 CA GLY A 83 -13.034 -1.102 -10.386 1.00 0.00 C ATOM 1229 C GLY A 83 -14.509 -1.464 -10.428 1.00 0.00 C ATOM 1230 O GLY A 83 -14.854 -2.528 -10.988 1.00 0.00 O ATOM 1231 OXT GLY A 83 -15.324 -0.679 -9.897 1.00 0.00 O ATOM 0 H GLY A 83 -11.722 -2.721 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.694 -1.109 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.905 -0.085 -10.757 1.00 0.00 H new TER 1235 GLY A 83