USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 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 14 MET CE :methyl -172:sc= -0.13 (180deg=-0.255) USER MOD Set 1.2: A 50 MET CE :methyl 155:sc= -0.856 (180deg=-1.66!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0366 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.469 X(o=0.47,f=-0.023) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 129:sc= -0.655 (180deg=-1.34) USER MOD Single : A 25 SER OG : rot 49:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc=-0.00494 X(o=-0.0049,f=-0.24) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 1.01 (180deg=-0.306!) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.08) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0232) USER MOD Single : A 74 MET CE :methyl -174:sc= 0 (180deg=-0.0357) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 82 MET CE :methyl 150:sc= 0 (180deg=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.206 7.122 3.280 1.00 61.04 N ATOM 2 CA GLY A 1 -18.988 7.415 2.507 1.00 41.10 C ATOM 3 C GLY A 1 -18.153 6.172 2.250 1.00 52.13 C ATOM 4 O GLY A 1 -18.183 5.231 3.040 1.00 32.44 O ATOM 0 H1 GLY A 1 -20.322 7.834 4.029 1.00 61.04 H new ATOM 0 H2 GLY A 1 -21.032 7.146 2.649 1.00 61.04 H new ATOM 0 H3 GLY A 1 -20.126 6.178 3.710 1.00 61.04 H new ATOM 0 HA2 GLY A 1 -19.265 7.867 1.554 1.00 41.10 H new ATOM 0 HA3 GLY A 1 -18.387 8.148 3.045 1.00 41.10 H new ATOM 8 N MET A 2 -17.379 6.161 1.158 1.00 55.24 N ATOM 9 CA MET A 2 -16.540 5.027 0.729 1.00 20.02 C ATOM 10 C MET A 2 -15.067 5.213 1.123 1.00 4.43 C ATOM 11 O MET A 2 -14.253 4.300 0.965 1.00 35.05 O ATOM 12 CB MET A 2 -16.621 4.900 -0.805 1.00 63.41 C ATOM 13 CG MET A 2 -18.049 4.810 -1.355 1.00 51.54 C ATOM 14 SD MET A 2 -18.953 3.331 -0.849 1.00 15.14 S ATOM 15 CE MET A 2 -18.287 2.170 -2.072 1.00 0.24 C ATOM 0 H MET A 2 -17.315 6.961 0.529 1.00 55.24 H new ATOM 0 HA MET A 2 -16.914 4.132 1.225 1.00 20.02 H new ATOM 0 HB2 MET A 2 -16.124 5.759 -1.256 1.00 63.41 H new ATOM 0 HB3 MET A 2 -16.068 4.013 -1.114 1.00 63.41 H new ATOM 0 HG2 MET A 2 -18.606 5.689 -1.031 1.00 51.54 H new ATOM 0 HG3 MET A 2 -18.008 4.841 -2.444 1.00 51.54 H new ATOM 0 HE1 MET A 2 -18.732 1.187 -1.920 1.00 0.24 H new ATOM 0 HE2 MET A 2 -18.523 2.524 -3.076 1.00 0.24 H new ATOM 0 HE3 MET A 2 -17.205 2.101 -1.957 1.00 0.24 H new ATOM 25 N GLN A 3 -14.716 6.406 1.611 1.00 11.53 N ATOM 26 CA GLN A 3 -13.375 6.991 1.678 1.00 32.05 C ATOM 27 C GLN A 3 -12.451 6.357 2.734 1.00 71.04 C ATOM 28 O GLN A 3 -11.462 6.960 3.111 1.00 35.35 O ATOM 29 CB GLN A 3 -13.551 8.512 1.906 1.00 23.33 C ATOM 30 CG GLN A 3 -12.795 9.386 0.897 1.00 40.31 C ATOM 31 CD GLN A 3 -11.310 9.491 1.208 1.00 44.53 C ATOM 32 OE1 GLN A 3 -10.915 10.328 2.009 1.00 11.44 O ATOM 33 NE2 GLN A 3 -10.476 8.684 0.579 1.00 62.44 N ATOM 0 H GLN A 3 -15.417 7.037 2.000 1.00 11.53 H new ATOM 0 HA GLN A 3 -12.863 6.786 0.738 1.00 32.05 H new ATOM 0 HB2 GLN A 3 -14.612 8.756 1.859 1.00 23.33 H new ATOM 0 HB3 GLN A 3 -13.212 8.760 2.912 1.00 23.33 H new ATOM 0 HG2 GLN A 3 -12.924 8.973 -0.103 1.00 40.31 H new ATOM 0 HG3 GLN A 3 -13.232 10.385 0.889 1.00 40.31 H new ATOM 0 HE21 GLN A 3 -10.834 7.996 -0.083 1.00 62.44 H new ATOM 0 HE22 GLN A 3 -9.473 8.748 0.755 1.00 62.44 H new ATOM 42 N PHE A 4 -12.774 5.170 3.242 1.00 75.10 N ATOM 43 CA PHE A 4 -12.083 4.494 4.341 1.00 0.35 C ATOM 44 C PHE A 4 -11.766 3.082 3.886 1.00 62.34 C ATOM 45 O PHE A 4 -10.612 2.722 3.708 1.00 61.12 O ATOM 46 CB PHE A 4 -12.983 4.499 5.581 1.00 74.31 C ATOM 47 CG PHE A 4 -12.479 5.346 6.732 1.00 35.24 C ATOM 48 CD1 PHE A 4 -12.182 6.706 6.533 1.00 74.44 C ATOM 49 CD2 PHE A 4 -12.270 4.774 7.999 1.00 52.50 C ATOM 50 CE1 PHE A 4 -11.661 7.476 7.584 1.00 53.52 C ATOM 51 CE2 PHE A 4 -11.743 5.543 9.048 1.00 4.24 C ATOM 52 CZ PHE A 4 -11.435 6.899 8.844 1.00 61.34 C ATOM 0 H PHE A 4 -13.560 4.627 2.884 1.00 75.10 H new ATOM 0 HA PHE A 4 -11.155 5.002 4.604 1.00 0.35 H new ATOM 0 HB2 PHE A 4 -13.972 4.855 5.293 1.00 74.31 H new ATOM 0 HB3 PHE A 4 -13.103 3.473 5.929 1.00 74.31 H new ATOM 0 HD1 PHE A 4 -12.355 7.159 5.568 1.00 74.44 H new ATOM 0 HD2 PHE A 4 -12.517 3.736 8.166 1.00 52.50 H new ATOM 0 HE1 PHE A 4 -11.432 8.519 7.423 1.00 53.52 H new ATOM 0 HE2 PHE A 4 -11.574 5.092 10.014 1.00 4.24 H new ATOM 0 HZ PHE A 4 -11.028 7.492 9.650 1.00 61.34 H new ATOM 62 N LYS A 5 -12.805 2.301 3.584 1.00 52.41 N ATOM 63 CA LYS A 5 -12.707 0.949 3.043 1.00 52.11 C ATOM 64 C LYS A 5 -11.706 0.872 1.893 1.00 0.51 C ATOM 65 O LYS A 5 -10.756 0.091 1.950 1.00 63.20 O ATOM 66 CB LYS A 5 -14.114 0.513 2.608 1.00 33.05 C ATOM 67 CG LYS A 5 -14.824 -0.245 3.735 1.00 55.24 C ATOM 68 CD LYS A 5 -16.321 -0.414 3.467 1.00 31.02 C ATOM 69 CE LYS A 5 -17.061 0.918 3.640 1.00 74.43 C ATOM 70 NZ LYS A 5 -18.438 0.728 4.151 1.00 75.34 N ATOM 0 H LYS A 5 -13.770 2.605 3.715 1.00 52.41 H new ATOM 0 HA LYS A 5 -12.331 0.269 3.808 1.00 52.11 H new ATOM 0 HB2 LYS A 5 -14.700 1.388 2.328 1.00 33.05 H new ATOM 0 HB3 LYS A 5 -14.046 -0.121 1.724 1.00 33.05 H new ATOM 0 HG2 LYS A 5 -14.365 -1.227 3.855 1.00 55.24 H new ATOM 0 HG3 LYS A 5 -14.683 0.290 4.674 1.00 55.24 H new ATOM 0 HD2 LYS A 5 -16.473 -0.791 2.456 1.00 31.02 H new ATOM 0 HD3 LYS A 5 -16.735 -1.156 4.149 1.00 31.02 H new ATOM 0 HE2 LYS A 5 -16.504 1.555 4.327 1.00 74.43 H new ATOM 0 HE3 LYS A 5 -17.099 1.438 2.683 1.00 74.43 H new ATOM 0 HZ1 LYS A 5 -18.901 1.654 4.253 1.00 75.34 H new ATOM 0 HZ2 LYS A 5 -18.978 0.142 3.483 1.00 75.34 H new ATOM 0 HZ3 LYS A 5 -18.403 0.255 5.076 1.00 75.34 H new ATOM 84 N ALA A 6 -11.910 1.680 0.848 1.00 74.14 N ATOM 85 CA ALA A 6 -11.062 1.654 -0.340 1.00 74.44 C ATOM 86 C ALA A 6 -9.664 2.163 -0.024 1.00 23.44 C ATOM 87 O ALA A 6 -8.690 1.677 -0.585 1.00 71.23 O ATOM 88 CB ALA A 6 -11.706 2.489 -1.449 1.00 75.20 C ATOM 0 H ALA A 6 -12.664 2.366 0.805 1.00 74.14 H new ATOM 0 HA ALA A 6 -10.967 0.623 -0.681 1.00 74.44 H new ATOM 0 HB1 ALA A 6 -11.071 2.468 -2.335 1.00 75.20 H new ATOM 0 HB2 ALA A 6 -12.685 2.076 -1.694 1.00 75.20 H new ATOM 0 HB3 ALA A 6 -11.821 3.518 -1.109 1.00 75.20 H new ATOM 94 N GLU A 7 -9.578 3.138 0.868 1.00 55.50 N ATOM 95 CA GLU A 7 -8.405 3.886 1.240 1.00 4.34 C ATOM 96 C GLU A 7 -7.454 2.972 2.041 1.00 54.23 C ATOM 97 O GLU A 7 -6.342 2.680 1.594 1.00 71.32 O ATOM 98 CB GLU A 7 -9.003 5.122 1.947 1.00 33.23 C ATOM 99 CG GLU A 7 -8.074 5.769 2.949 1.00 14.43 C ATOM 100 CD GLU A 7 -8.386 7.252 3.191 1.00 60.31 C ATOM 101 OE1 GLU A 7 -8.362 8.022 2.204 1.00 32.04 O ATOM 102 OE2 GLU A 7 -8.629 7.625 4.367 1.00 23.01 O ATOM 0 H GLU A 7 -10.400 3.445 1.389 1.00 55.50 H new ATOM 0 HA GLU A 7 -7.752 4.233 0.439 1.00 4.34 H new ATOM 0 HB2 GLU A 7 -9.279 5.860 1.194 1.00 33.23 H new ATOM 0 HB3 GLU A 7 -9.921 4.828 2.456 1.00 33.23 H new ATOM 0 HG2 GLU A 7 -8.139 5.231 3.895 1.00 14.43 H new ATOM 0 HG3 GLU A 7 -7.047 5.673 2.597 1.00 14.43 H new ATOM 109 N ALA A 8 -7.920 2.389 3.148 1.00 23.45 N ATOM 110 CA ALA A 8 -7.194 1.376 3.905 1.00 31.42 C ATOM 111 C ALA A 8 -6.817 0.194 3.016 1.00 32.04 C ATOM 112 O ALA A 8 -5.683 -0.277 3.078 1.00 11.34 O ATOM 113 CB ALA A 8 -8.035 0.870 5.081 1.00 20.44 C ATOM 0 H ALA A 8 -8.831 2.615 3.548 1.00 23.45 H new ATOM 0 HA ALA A 8 -6.285 1.842 4.284 1.00 31.42 H new ATOM 0 HB1 ALA A 8 -7.474 0.115 5.632 1.00 20.44 H new ATOM 0 HB2 ALA A 8 -8.271 1.702 5.744 1.00 20.44 H new ATOM 0 HB3 ALA A 8 -8.960 0.432 4.705 1.00 20.44 H new ATOM 119 N ARG A 9 -7.751 -0.326 2.204 1.00 13.44 N ATOM 120 CA ARG A 9 -7.461 -1.491 1.368 1.00 63.42 C ATOM 121 C ARG A 9 -6.409 -1.133 0.310 1.00 35.21 C ATOM 122 O ARG A 9 -5.602 -1.997 -0.021 1.00 24.11 O ATOM 123 CB ARG A 9 -8.761 -2.097 0.789 1.00 54.24 C ATOM 124 CG ARG A 9 -8.584 -3.446 0.059 1.00 21.03 C ATOM 125 CD ARG A 9 -8.210 -4.647 0.954 1.00 23.31 C ATOM 126 NE ARG A 9 -9.385 -5.305 1.574 1.00 40.32 N ATOM 127 CZ ARG A 9 -9.626 -6.628 1.603 1.00 21.03 C ATOM 128 NH1 ARG A 9 -8.683 -7.490 1.253 1.00 41.43 N ATOM 129 NH2 ARG A 9 -10.805 -7.109 1.979 1.00 13.15 N ATOM 0 H ARG A 9 -8.699 0.039 2.112 1.00 13.44 H new ATOM 0 HA ARG A 9 -7.024 -2.281 1.978 1.00 63.42 H new ATOM 0 HB2 ARG A 9 -9.474 -2.232 1.602 1.00 54.24 H new ATOM 0 HB3 ARG A 9 -9.200 -1.380 0.095 1.00 54.24 H new ATOM 0 HG2 ARG A 9 -9.512 -3.680 -0.463 1.00 21.03 H new ATOM 0 HG3 ARG A 9 -7.812 -3.328 -0.701 1.00 21.03 H new ATOM 0 HD2 ARG A 9 -7.665 -5.379 0.358 1.00 23.31 H new ATOM 0 HD3 ARG A 9 -7.535 -4.309 1.740 1.00 23.31 H new ATOM 0 HE ARG A 9 -10.074 -4.699 2.019 1.00 40.32 H new ATOM 0 HH11 ARG A 9 -7.767 -7.152 0.959 1.00 41.43 H new ATOM 0 HH12 ARG A 9 -8.873 -8.492 1.278 1.00 41.43 H new ATOM 0 HH21 ARG A 9 -11.552 -6.471 2.254 1.00 13.15 H new ATOM 0 HH22 ARG A 9 -10.964 -8.116 1.993 1.00 13.15 H new ATOM 143 N ARG A 10 -6.342 0.113 -0.189 1.00 33.42 N ATOM 144 CA ARG A 10 -5.259 0.563 -1.071 1.00 11.54 C ATOM 145 C ARG A 10 -3.938 0.368 -0.336 1.00 61.13 C ATOM 146 O ARG A 10 -3.102 -0.410 -0.789 1.00 63.21 O ATOM 147 CB ARG A 10 -5.439 2.038 -1.510 1.00 11.35 C ATOM 148 CG ARG A 10 -4.610 2.358 -2.773 1.00 33.03 C ATOM 149 CD ARG A 10 -4.328 3.842 -3.097 1.00 20.44 C ATOM 150 NE ARG A 10 -4.871 4.832 -2.146 1.00 74.03 N ATOM 151 CZ ARG A 10 -4.982 6.155 -2.364 1.00 64.00 C ATOM 152 NH1 ARG A 10 -4.677 6.691 -3.542 1.00 75.12 N ATOM 153 NH2 ARG A 10 -5.412 6.953 -1.402 1.00 53.44 N ATOM 0 H ARG A 10 -7.037 0.833 0.009 1.00 33.42 H new ATOM 0 HA ARG A 10 -5.273 -0.029 -1.986 1.00 11.54 H new ATOM 0 HB2 ARG A 10 -6.493 2.234 -1.706 1.00 11.35 H new ATOM 0 HB3 ARG A 10 -5.137 2.700 -0.698 1.00 11.35 H new ATOM 0 HG2 ARG A 10 -3.651 1.848 -2.681 1.00 33.03 H new ATOM 0 HG3 ARG A 10 -5.123 1.921 -3.629 1.00 33.03 H new ATOM 0 HD2 ARG A 10 -3.248 3.980 -3.156 1.00 20.44 H new ATOM 0 HD3 ARG A 10 -4.732 4.059 -4.086 1.00 20.44 H new ATOM 0 HE ARG A 10 -5.191 4.482 -1.243 1.00 74.03 H new ATOM 0 HH11 ARG A 10 -4.351 6.096 -4.304 1.00 75.12 H new ATOM 0 HH12 ARG A 10 -4.769 7.697 -3.684 1.00 75.12 H new ATOM 0 HH21 ARG A 10 -5.661 6.566 -0.492 1.00 53.44 H new ATOM 0 HH22 ARG A 10 -5.495 7.956 -1.570 1.00 53.44 H new ATOM 167 N ASN A 11 -3.765 1.030 0.808 1.00 21.24 N ATOM 168 CA ASN A 11 -2.512 0.990 1.557 1.00 72.22 C ATOM 169 C ASN A 11 -2.138 -0.449 1.907 1.00 24.13 C ATOM 170 O ASN A 11 -1.012 -0.882 1.674 1.00 63.15 O ATOM 171 CB ASN A 11 -2.617 1.815 2.841 1.00 54.33 C ATOM 172 CG ASN A 11 -2.465 3.299 2.567 1.00 63.01 C ATOM 173 OD1 ASN A 11 -1.367 3.754 2.288 1.00 3.40 O ATOM 174 ND2 ASN A 11 -3.547 4.052 2.607 1.00 31.43 N ATOM 0 H ASN A 11 -4.487 1.607 1.239 1.00 21.24 H new ATOM 0 HA ASN A 11 -1.735 1.418 0.924 1.00 72.22 H new ATOM 0 HB2 ASN A 11 -3.581 1.629 3.315 1.00 54.33 H new ATOM 0 HB3 ASN A 11 -1.848 1.494 3.544 1.00 54.33 H new ATOM 0 HD21 ASN A 11 -3.482 5.049 2.401 1.00 31.43 H new ATOM 0 HD22 ASN A 11 -4.448 3.637 2.844 1.00 31.43 H new ATOM 181 N LYS A 12 -3.090 -1.228 2.428 1.00 63.12 N ATOM 182 CA LYS A 12 -2.858 -2.612 2.830 1.00 61.00 C ATOM 183 C LYS A 12 -2.323 -3.434 1.661 1.00 54.22 C ATOM 184 O LYS A 12 -1.295 -4.091 1.795 1.00 31.41 O ATOM 185 CB LYS A 12 -4.156 -3.190 3.401 1.00 15.14 C ATOM 186 CG LYS A 12 -3.914 -4.514 4.133 1.00 43.12 C ATOM 187 CD LYS A 12 -5.225 -5.007 4.742 1.00 13.25 C ATOM 188 CE LYS A 12 -4.952 -6.072 5.804 1.00 52.13 C ATOM 189 NZ LYS A 12 -6.205 -6.504 6.447 1.00 73.31 N ATOM 0 H LYS A 12 -4.047 -0.912 2.582 1.00 63.12 H new ATOM 0 HA LYS A 12 -2.095 -2.649 3.608 1.00 61.00 H new ATOM 0 HB2 LYS A 12 -4.603 -2.471 4.088 1.00 15.14 H new ATOM 0 HB3 LYS A 12 -4.871 -3.346 2.593 1.00 15.14 H new ATOM 0 HG2 LYS A 12 -3.520 -5.258 3.440 1.00 43.12 H new ATOM 0 HG3 LYS A 12 -3.166 -4.378 4.914 1.00 43.12 H new ATOM 0 HD2 LYS A 12 -5.764 -4.170 5.187 1.00 13.25 H new ATOM 0 HD3 LYS A 12 -5.864 -5.419 3.961 1.00 13.25 H new ATOM 0 HE2 LYS A 12 -4.458 -6.930 5.347 1.00 52.13 H new ATOM 0 HE3 LYS A 12 -4.270 -5.675 6.556 1.00 52.13 H new ATOM 0 HZ1 LYS A 12 -5.996 -7.227 7.164 1.00 73.31 H new ATOM 0 HZ2 LYS A 12 -6.661 -5.687 6.901 1.00 73.31 H new ATOM 0 HZ3 LYS A 12 -6.844 -6.903 5.730 1.00 73.31 H new ATOM 203 N LEU A 13 -2.983 -3.368 0.500 1.00 74.03 N ATOM 204 CA LEU A 13 -2.557 -4.113 -0.681 1.00 31.43 C ATOM 205 C LEU A 13 -1.198 -3.653 -1.197 1.00 32.34 C ATOM 206 O LEU A 13 -0.498 -4.449 -1.830 1.00 54.42 O ATOM 207 CB LEU A 13 -3.601 -4.005 -1.804 1.00 1.22 C ATOM 208 CG LEU A 13 -4.902 -4.782 -1.563 1.00 64.00 C ATOM 209 CD1 LEU A 13 -5.842 -4.531 -2.750 1.00 43.40 C ATOM 210 CD2 LEU A 13 -4.633 -6.278 -1.411 1.00 43.20 C ATOM 0 H LEU A 13 -3.819 -2.801 0.357 1.00 74.03 H new ATOM 0 HA LEU A 13 -2.463 -5.155 -0.374 1.00 31.43 H new ATOM 0 HB2 LEU A 13 -3.847 -2.953 -1.950 1.00 1.22 H new ATOM 0 HB3 LEU A 13 -3.151 -4.359 -2.732 1.00 1.22 H new ATOM 0 HG LEU A 13 -5.361 -4.437 -0.636 1.00 64.00 H new ATOM 0 HD11 LEU A 13 -6.774 -5.076 -2.598 1.00 43.40 H new ATOM 0 HD12 LEU A 13 -6.053 -3.465 -2.828 1.00 43.40 H new ATOM 0 HD13 LEU A 13 -5.367 -4.875 -3.669 1.00 43.40 H new ATOM 0 HD21 LEU A 13 -5.574 -6.801 -1.241 1.00 43.20 H new ATOM 0 HD22 LEU A 13 -4.165 -6.658 -2.319 1.00 43.20 H new ATOM 0 HD23 LEU A 13 -3.968 -6.444 -0.564 1.00 43.20 H new ATOM 222 N MET A 14 -0.818 -2.386 -0.996 1.00 15.12 N ATOM 223 CA MET A 14 0.523 -1.948 -1.327 1.00 0.23 C ATOM 224 C MET A 14 1.506 -2.708 -0.439 1.00 2.31 C ATOM 225 O MET A 14 2.468 -3.277 -0.949 1.00 75.14 O ATOM 226 CB MET A 14 0.608 -0.425 -1.178 1.00 31.44 C ATOM 227 CG MET A 14 1.949 0.135 -1.645 1.00 54.24 C ATOM 228 SD MET A 14 2.331 -0.202 -3.382 1.00 63.14 S ATOM 229 CE MET A 14 3.783 0.866 -3.497 1.00 3.10 C ATOM 0 H MET A 14 -1.421 -1.660 -0.609 1.00 15.12 H new ATOM 0 HA MET A 14 0.781 -2.169 -2.363 1.00 0.23 H new ATOM 0 HB2 MET A 14 -0.195 0.038 -1.752 1.00 31.44 H new ATOM 0 HB3 MET A 14 0.450 -0.156 -0.134 1.00 31.44 H new ATOM 0 HG2 MET A 14 1.955 1.213 -1.486 1.00 54.24 H new ATOM 0 HG3 MET A 14 2.741 -0.283 -1.023 1.00 54.24 H new ATOM 0 HE1 MET A 14 4.109 0.926 -4.535 1.00 3.10 H new ATOM 0 HE2 MET A 14 3.530 1.863 -3.137 1.00 3.10 H new ATOM 0 HE3 MET A 14 4.587 0.453 -2.888 1.00 3.10 H new ATOM 239 N GLY A 15 1.219 -2.802 0.862 1.00 21.13 N ATOM 240 CA GLY A 15 1.999 -3.554 1.832 1.00 71.22 C ATOM 241 C GLY A 15 2.344 -4.964 1.373 1.00 4.50 C ATOM 242 O GLY A 15 3.519 -5.305 1.418 1.00 40.13 O ATOM 0 H GLY A 15 0.410 -2.340 1.276 1.00 21.13 H new ATOM 0 HA2 GLY A 15 2.922 -3.013 2.042 1.00 71.22 H new ATOM 0 HA3 GLY A 15 1.443 -3.611 2.768 1.00 71.22 H new ATOM 246 N LEU A 16 1.384 -5.767 0.900 1.00 32.44 N ATOM 247 CA LEU A 16 1.669 -7.138 0.478 1.00 40.32 C ATOM 248 C LEU A 16 2.702 -7.173 -0.658 1.00 74.43 C ATOM 249 O LEU A 16 3.604 -8.011 -0.636 1.00 2.10 O ATOM 250 CB LEU A 16 0.386 -7.867 0.046 1.00 31.13 C ATOM 251 CG LEU A 16 -0.548 -8.416 1.144 1.00 35.33 C ATOM 252 CD1 LEU A 16 0.175 -9.199 2.245 1.00 21.03 C ATOM 253 CD2 LEU A 16 -1.424 -7.325 1.763 1.00 3.21 C ATOM 0 H LEU A 16 0.407 -5.490 0.801 1.00 32.44 H new ATOM 0 HA LEU A 16 2.089 -7.657 1.340 1.00 40.32 H new ATOM 0 HB2 LEU A 16 -0.194 -7.181 -0.572 1.00 31.13 H new ATOM 0 HB3 LEU A 16 0.677 -8.702 -0.591 1.00 31.13 H new ATOM 0 HG LEU A 16 -1.190 -9.125 0.621 1.00 35.33 H new ATOM 0 HD11 LEU A 16 -0.551 -9.551 2.978 1.00 21.03 H new ATOM 0 HD12 LEU A 16 0.690 -10.053 1.806 1.00 21.03 H new ATOM 0 HD13 LEU A 16 0.901 -8.551 2.736 1.00 21.03 H new ATOM 0 HD21 LEU A 16 -2.063 -7.763 2.530 1.00 3.21 H new ATOM 0 HD22 LEU A 16 -0.790 -6.560 2.212 1.00 3.21 H new ATOM 0 HD23 LEU A 16 -2.044 -6.873 0.989 1.00 3.21 H new ATOM 265 N TRP A 17 2.599 -6.266 -1.635 1.00 13.20 N ATOM 266 CA TRP A 17 3.556 -6.203 -2.737 1.00 41.35 C ATOM 267 C TRP A 17 4.931 -5.779 -2.228 1.00 0.31 C ATOM 268 O TRP A 17 5.928 -6.414 -2.559 1.00 75.01 O ATOM 269 CB TRP A 17 3.066 -5.246 -3.829 1.00 43.24 C ATOM 270 CG TRP A 17 4.054 -4.984 -4.929 1.00 12.22 C ATOM 271 CD1 TRP A 17 4.372 -5.844 -5.922 1.00 41.13 C ATOM 272 CD2 TRP A 17 4.930 -3.827 -5.116 1.00 13.14 C ATOM 273 NE1 TRP A 17 5.344 -5.283 -6.729 1.00 0.13 N ATOM 274 CE2 TRP A 17 5.762 -4.063 -6.248 1.00 15.12 C ATOM 275 CE3 TRP A 17 5.113 -2.601 -4.441 1.00 75.32 C ATOM 276 CZ2 TRP A 17 6.749 -3.155 -6.658 1.00 55.32 C ATOM 277 CZ3 TRP A 17 6.087 -1.671 -4.854 1.00 21.31 C ATOM 278 CH2 TRP A 17 6.910 -1.949 -5.959 1.00 44.24 C ATOM 0 H TRP A 17 1.859 -5.565 -1.682 1.00 13.20 H new ATOM 0 HA TRP A 17 3.642 -7.199 -3.172 1.00 41.35 H new ATOM 0 HB2 TRP A 17 2.155 -5.654 -4.268 1.00 43.24 H new ATOM 0 HB3 TRP A 17 2.799 -4.296 -3.366 1.00 43.24 H new ATOM 0 HD1 TRP A 17 3.933 -6.821 -6.063 1.00 41.13 H new ATOM 0 HE1 TRP A 17 5.707 -5.719 -7.577 1.00 0.13 H new ATOM 0 HE3 TRP A 17 4.492 -2.371 -3.588 1.00 75.32 H new ATOM 0 HZ2 TRP A 17 7.380 -3.382 -7.505 1.00 55.32 H new ATOM 0 HZ3 TRP A 17 6.202 -0.740 -4.319 1.00 21.31 H new ATOM 0 HH2 TRP A 17 7.662 -1.238 -6.268 1.00 44.24 H new ATOM 289 N VAL A 18 5.002 -4.716 -1.426 1.00 14.12 N ATOM 290 CA VAL A 18 6.270 -4.243 -0.889 1.00 21.30 C ATOM 291 C VAL A 18 6.912 -5.352 -0.038 1.00 64.22 C ATOM 292 O VAL A 18 8.115 -5.575 -0.139 1.00 34.13 O ATOM 293 CB VAL A 18 6.055 -2.929 -0.119 1.00 51.24 C ATOM 294 CG1 VAL A 18 7.369 -2.406 0.457 1.00 60.12 C ATOM 295 CG2 VAL A 18 5.494 -1.800 -0.996 1.00 34.13 C ATOM 0 H VAL A 18 4.192 -4.168 -1.136 1.00 14.12 H new ATOM 0 HA VAL A 18 6.968 -4.018 -1.695 1.00 21.30 H new ATOM 0 HB VAL A 18 5.339 -3.181 0.664 1.00 51.24 H new ATOM 0 HG11 VAL A 18 7.186 -1.476 0.996 1.00 60.12 H new ATOM 0 HG12 VAL A 18 7.786 -3.145 1.141 1.00 60.12 H new ATOM 0 HG13 VAL A 18 8.074 -2.223 -0.354 1.00 60.12 H new ATOM 0 HG21 VAL A 18 5.365 -0.901 -0.393 1.00 34.13 H new ATOM 0 HG22 VAL A 18 6.187 -1.594 -1.812 1.00 34.13 H new ATOM 0 HG23 VAL A 18 4.531 -2.103 -1.406 1.00 34.13 H new ATOM 305 N ALA A 19 6.124 -6.094 0.744 1.00 73.31 N ATOM 306 CA ALA A 19 6.588 -7.210 1.550 1.00 61.32 C ATOM 307 C ALA A 19 7.230 -8.285 0.670 1.00 43.13 C ATOM 308 O ALA A 19 8.331 -8.743 0.968 1.00 14.50 O ATOM 309 CB ALA A 19 5.422 -7.772 2.370 1.00 24.13 C ATOM 0 H ALA A 19 5.122 -5.926 0.832 1.00 73.31 H new ATOM 0 HA ALA A 19 7.355 -6.860 2.241 1.00 61.32 H new ATOM 0 HB1 ALA A 19 5.772 -8.609 2.974 1.00 24.13 H new ATOM 0 HB2 ALA A 19 5.028 -6.993 3.023 1.00 24.13 H new ATOM 0 HB3 ALA A 19 4.636 -8.114 1.697 1.00 24.13 H new ATOM 315 N GLU A 20 6.579 -8.658 -0.431 1.00 22.01 N ATOM 316 CA GLU A 20 7.121 -9.596 -1.408 1.00 20.14 C ATOM 317 C GLU A 20 8.454 -9.090 -1.966 1.00 60.42 C ATOM 318 O GLU A 20 9.423 -9.845 -2.006 1.00 23.12 O ATOM 319 CB GLU A 20 6.066 -9.813 -2.498 1.00 3.32 C ATOM 320 CG GLU A 20 6.580 -10.459 -3.786 1.00 40.55 C ATOM 321 CD GLU A 20 5.426 -10.605 -4.771 1.00 44.11 C ATOM 322 OE1 GLU A 20 5.025 -9.594 -5.393 1.00 63.14 O ATOM 323 OE2 GLU A 20 4.855 -11.709 -4.893 1.00 75.25 O ATOM 0 H GLU A 20 5.650 -8.312 -0.671 1.00 22.01 H new ATOM 0 HA GLU A 20 7.339 -10.556 -0.940 1.00 20.14 H new ATOM 0 HB2 GLU A 20 5.270 -10.436 -2.091 1.00 3.32 H new ATOM 0 HB3 GLU A 20 5.621 -8.850 -2.747 1.00 3.32 H new ATOM 0 HG2 GLU A 20 7.371 -9.849 -4.222 1.00 40.55 H new ATOM 0 HG3 GLU A 20 7.014 -11.435 -3.569 1.00 40.55 H new ATOM 330 N VAL A 21 8.531 -7.816 -2.357 1.00 73.45 N ATOM 331 CA VAL A 21 9.763 -7.207 -2.857 1.00 15.20 C ATOM 332 C VAL A 21 10.866 -7.234 -1.783 1.00 52.53 C ATOM 333 O VAL A 21 12.041 -7.332 -2.134 1.00 0.21 O ATOM 334 CB VAL A 21 9.448 -5.789 -3.388 1.00 12.10 C ATOM 335 CG1 VAL A 21 10.693 -4.986 -3.790 1.00 62.13 C ATOM 336 CG2 VAL A 21 8.543 -5.863 -4.631 1.00 24.12 C ATOM 0 H VAL A 21 7.737 -7.176 -2.335 1.00 73.45 H new ATOM 0 HA VAL A 21 10.158 -7.786 -3.692 1.00 15.20 H new ATOM 0 HB VAL A 21 8.959 -5.283 -2.556 1.00 12.10 H new ATOM 0 HG11 VAL A 21 10.391 -4.003 -4.152 1.00 62.13 H new ATOM 0 HG12 VAL A 21 11.346 -4.869 -2.925 1.00 62.13 H new ATOM 0 HG13 VAL A 21 11.228 -5.515 -4.579 1.00 62.13 H new ATOM 0 HG21 VAL A 21 8.333 -4.855 -4.989 1.00 24.12 H new ATOM 0 HG22 VAL A 21 9.047 -6.429 -5.415 1.00 24.12 H new ATOM 0 HG23 VAL A 21 7.607 -6.358 -4.371 1.00 24.12 H new ATOM 346 N LEU A 22 10.516 -7.172 -0.493 1.00 64.44 N ATOM 347 CA LEU A 22 11.451 -7.302 0.624 1.00 35.14 C ATOM 348 C LEU A 22 11.854 -8.759 0.890 1.00 62.01 C ATOM 349 O LEU A 22 12.774 -8.971 1.677 1.00 23.24 O ATOM 350 CB LEU A 22 10.847 -6.704 1.912 1.00 2.51 C ATOM 351 CG LEU A 22 10.709 -5.171 1.905 1.00 74.21 C ATOM 352 CD1 LEU A 22 9.756 -4.712 3.015 1.00 61.44 C ATOM 353 CD2 LEU A 22 12.058 -4.483 2.111 1.00 2.12 C ATOM 0 H LEU A 22 9.552 -7.027 -0.193 1.00 64.44 H new ATOM 0 HA LEU A 22 12.347 -6.750 0.339 1.00 35.14 H new ATOM 0 HB2 LEU A 22 9.863 -7.143 2.074 1.00 2.51 H new ATOM 0 HB3 LEU A 22 11.469 -6.996 2.758 1.00 2.51 H new ATOM 0 HG LEU A 22 10.312 -4.892 0.929 1.00 74.21 H new ATOM 0 HD11 LEU A 22 9.671 -3.626 2.995 1.00 61.44 H new ATOM 0 HD12 LEU A 22 8.773 -5.156 2.857 1.00 61.44 H new ATOM 0 HD13 LEU A 22 10.146 -5.027 3.983 1.00 61.44 H new ATOM 0 HD21 LEU A 22 11.920 -3.402 2.100 1.00 2.12 H new ATOM 0 HD22 LEU A 22 12.478 -4.786 3.070 1.00 2.12 H new ATOM 0 HD23 LEU A 22 12.739 -4.770 1.310 1.00 2.12 H new ATOM 365 N GLY A 23 11.225 -9.769 0.276 1.00 2.54 N ATOM 366 CA GLY A 23 11.519 -11.171 0.589 1.00 42.44 C ATOM 367 C GLY A 23 10.830 -11.620 1.878 1.00 40.14 C ATOM 368 O GLY A 23 11.302 -12.505 2.600 1.00 74.14 O ATOM 0 H GLY A 23 10.510 -9.640 -0.440 1.00 2.54 H new ATOM 0 HA2 GLY A 23 11.194 -11.804 -0.237 1.00 42.44 H new ATOM 0 HA3 GLY A 23 12.596 -11.304 0.687 1.00 42.44 H new ATOM 372 N LYS A 24 9.716 -10.978 2.220 1.00 1.30 N ATOM 373 CA LYS A 24 8.807 -11.447 3.255 1.00 71.33 C ATOM 374 C LYS A 24 7.836 -12.426 2.598 1.00 13.33 C ATOM 375 O LYS A 24 7.731 -12.496 1.372 1.00 74.21 O ATOM 376 CB LYS A 24 8.099 -10.241 3.884 1.00 42.13 C ATOM 377 CG LYS A 24 9.107 -9.295 4.560 1.00 53.14 C ATOM 378 CD LYS A 24 8.472 -7.995 5.059 1.00 73.05 C ATOM 379 CE LYS A 24 9.401 -7.234 6.016 1.00 3.21 C ATOM 380 NZ LYS A 24 10.790 -7.063 5.537 1.00 13.33 N ATOM 0 H LYS A 24 9.418 -10.108 1.779 1.00 1.30 H new ATOM 0 HA LYS A 24 9.328 -11.963 4.061 1.00 71.33 H new ATOM 0 HB2 LYS A 24 7.546 -9.699 3.116 1.00 42.13 H new ATOM 0 HB3 LYS A 24 7.371 -10.586 4.618 1.00 42.13 H new ATOM 0 HG2 LYS A 24 9.572 -9.810 5.400 1.00 53.14 H new ATOM 0 HG3 LYS A 24 9.902 -9.056 3.853 1.00 53.14 H new ATOM 0 HD2 LYS A 24 8.229 -7.360 4.207 1.00 73.05 H new ATOM 0 HD3 LYS A 24 7.534 -8.221 5.566 1.00 73.05 H new ATOM 0 HE2 LYS A 24 8.974 -6.249 6.205 1.00 3.21 H new ATOM 0 HE3 LYS A 24 9.424 -7.760 6.970 1.00 3.21 H new ATOM 0 HZ1 LYS A 24 11.062 -6.062 5.610 1.00 13.33 H new ATOM 0 HZ2 LYS A 24 11.431 -7.639 6.119 1.00 13.33 H new ATOM 0 HZ3 LYS A 24 10.855 -7.368 4.545 1.00 13.33 H new ATOM 394 N SER A 25 7.128 -13.194 3.416 1.00 42.24 N ATOM 395 CA SER A 25 6.115 -14.176 3.036 1.00 13.50 C ATOM 396 C SER A 25 5.497 -14.695 4.332 1.00 20.11 C ATOM 397 O SER A 25 5.895 -14.253 5.416 1.00 32.01 O ATOM 398 CB SER A 25 6.736 -15.324 2.219 1.00 43.15 C ATOM 399 OG SER A 25 6.843 -14.956 0.858 1.00 11.30 O ATOM 0 H SER A 25 7.252 -13.146 4.427 1.00 42.24 H new ATOM 0 HA SER A 25 5.355 -13.722 2.400 1.00 13.50 H new ATOM 0 HB2 SER A 25 7.721 -15.569 2.615 1.00 43.15 H new ATOM 0 HB3 SER A 25 6.122 -16.220 2.313 1.00 43.15 H new ATOM 0 HG SER A 25 7.259 -14.071 0.790 1.00 11.30 H new ATOM 405 N GLY A 26 4.543 -15.620 4.235 1.00 52.44 N ATOM 406 CA GLY A 26 3.883 -16.182 5.393 1.00 20.34 C ATOM 407 C GLY A 26 3.146 -15.077 6.135 1.00 72.21 C ATOM 408 O GLY A 26 2.383 -14.315 5.534 1.00 35.00 O ATOM 0 H GLY A 26 4.212 -15.996 3.346 1.00 52.44 H new ATOM 0 HA2 GLY A 26 3.183 -16.959 5.086 1.00 20.34 H new ATOM 0 HA3 GLY A 26 4.614 -16.653 6.050 1.00 20.34 H new ATOM 412 N ASP A 27 3.360 -15.002 7.441 1.00 74.22 N ATOM 413 CA ASP A 27 2.627 -14.110 8.332 1.00 54.32 C ATOM 414 C ASP A 27 3.313 -12.754 8.427 1.00 11.23 C ATOM 415 O ASP A 27 2.645 -11.740 8.628 1.00 63.23 O ATOM 416 CB ASP A 27 2.494 -14.750 9.714 1.00 41.51 C ATOM 417 CG ASP A 27 1.573 -15.966 9.634 1.00 62.41 C ATOM 418 OD1 ASP A 27 2.059 -17.045 9.219 1.00 60.42 O ATOM 419 OD2 ASP A 27 0.348 -15.815 9.838 1.00 52.22 O ATOM 0 H ASP A 27 4.060 -15.569 7.921 1.00 74.22 H new ATOM 0 HA ASP A 27 1.630 -13.949 7.923 1.00 54.32 H new ATOM 0 HB2 ASP A 27 3.475 -15.049 10.082 1.00 41.51 H new ATOM 0 HB3 ASP A 27 2.094 -14.026 10.424 1.00 41.51 H new ATOM 424 N GLU A 28 4.631 -12.731 8.213 1.00 14.50 N ATOM 425 CA GLU A 28 5.465 -11.554 8.011 1.00 71.13 C ATOM 426 C GLU A 28 4.817 -10.592 7.018 1.00 12.43 C ATOM 427 O GLU A 28 4.618 -9.426 7.344 1.00 33.03 O ATOM 428 CB GLU A 28 6.873 -11.986 7.529 1.00 61.21 C ATOM 429 CG GLU A 28 7.970 -11.597 8.518 1.00 0.54 C ATOM 430 CD GLU A 28 9.255 -11.085 7.859 1.00 62.03 C ATOM 431 OE1 GLU A 28 9.834 -11.779 6.992 1.00 61.23 O ATOM 432 OE2 GLU A 28 9.689 -9.958 8.214 1.00 63.35 O ATOM 0 H GLU A 28 5.175 -13.593 8.175 1.00 14.50 H new ATOM 0 HA GLU A 28 5.567 -11.027 8.960 1.00 71.13 H new ATOM 0 HB2 GLU A 28 6.888 -13.066 7.380 1.00 61.21 H new ATOM 0 HB3 GLU A 28 7.080 -11.528 6.562 1.00 61.21 H new ATOM 0 HG2 GLU A 28 7.585 -10.826 9.186 1.00 0.54 H new ATOM 0 HG3 GLU A 28 8.211 -12.462 9.135 1.00 0.54 H new ATOM 439 N ALA A 29 4.445 -11.068 5.828 1.00 55.24 N ATOM 440 CA ALA A 29 3.863 -10.212 4.798 1.00 0.13 C ATOM 441 C ALA A 29 2.566 -9.546 5.277 1.00 35.30 C ATOM 442 O ALA A 29 2.306 -8.382 4.971 1.00 32.30 O ATOM 443 CB ALA A 29 3.623 -11.028 3.525 1.00 23.24 C ATOM 0 H ALA A 29 4.538 -12.046 5.555 1.00 55.24 H new ATOM 0 HA ALA A 29 4.569 -9.410 4.580 1.00 0.13 H new ATOM 0 HB1 ALA A 29 3.189 -10.387 2.758 1.00 23.24 H new ATOM 0 HB2 ALA A 29 4.570 -11.431 3.167 1.00 23.24 H new ATOM 0 HB3 ALA A 29 2.939 -11.848 3.742 1.00 23.24 H new ATOM 449 N ASN A 30 1.768 -10.256 6.076 1.00 11.24 N ATOM 450 CA ASN A 30 0.491 -9.755 6.573 1.00 60.41 C ATOM 451 C ASN A 30 0.735 -8.767 7.702 1.00 62.04 C ATOM 452 O ASN A 30 0.016 -7.772 7.800 1.00 73.14 O ATOM 453 CB ASN A 30 -0.419 -10.898 7.058 1.00 41.32 C ATOM 454 CG ASN A 30 -1.213 -11.522 5.922 1.00 61.22 C ATOM 455 OD1 ASN A 30 -1.929 -10.829 5.199 1.00 53.14 O ATOM 456 ND2 ASN A 30 -1.184 -12.834 5.780 1.00 3.34 N ATOM 0 H ASN A 30 1.992 -11.198 6.396 1.00 11.24 H new ATOM 0 HA ASN A 30 -0.019 -9.255 5.750 1.00 60.41 H new ATOM 0 HB2 ASN A 30 0.189 -11.665 7.538 1.00 41.32 H new ATOM 0 HB3 ASN A 30 -1.107 -10.517 7.813 1.00 41.32 H new ATOM 0 HD21 ASN A 30 -1.758 -13.283 5.066 1.00 3.34 H new ATOM 0 HD22 ASN A 30 -0.587 -13.399 6.384 1.00 3.34 H new ATOM 463 N ALA A 31 1.734 -9.011 8.550 1.00 23.31 N ATOM 464 CA ALA A 31 2.116 -8.086 9.601 1.00 0.30 C ATOM 465 C ALA A 31 2.623 -6.785 8.982 1.00 44.51 C ATOM 466 O ALA A 31 2.231 -5.703 9.430 1.00 3.32 O ATOM 467 CB ALA A 31 3.169 -8.734 10.500 1.00 3.52 C ATOM 0 H ALA A 31 2.299 -9.860 8.522 1.00 23.31 H new ATOM 0 HA ALA A 31 1.251 -7.847 10.219 1.00 0.30 H new ATOM 0 HB1 ALA A 31 3.454 -8.037 11.288 1.00 3.52 H new ATOM 0 HB2 ALA A 31 2.758 -9.639 10.947 1.00 3.52 H new ATOM 0 HB3 ALA A 31 4.047 -8.989 9.907 1.00 3.52 H new ATOM 473 N TYR A 32 3.439 -6.892 7.927 1.00 21.11 N ATOM 474 CA TYR A 32 3.968 -5.743 7.200 1.00 43.42 C ATOM 475 C TYR A 32 2.835 -4.961 6.517 1.00 75.33 C ATOM 476 O TYR A 32 2.902 -3.742 6.365 1.00 21.41 O ATOM 477 CB TYR A 32 5.026 -6.218 6.192 1.00 12.23 C ATOM 478 CG TYR A 32 5.688 -5.081 5.435 1.00 20.04 C ATOM 479 CD1 TYR A 32 5.066 -4.556 4.290 1.00 73.42 C ATOM 480 CD2 TYR A 32 6.876 -4.495 5.913 1.00 4.21 C ATOM 481 CE1 TYR A 32 5.609 -3.436 3.643 1.00 74.05 C ATOM 482 CE2 TYR A 32 7.429 -3.373 5.264 1.00 35.14 C ATOM 483 CZ TYR A 32 6.775 -2.817 4.142 1.00 63.42 C ATOM 484 OH TYR A 32 7.207 -1.657 3.571 1.00 63.11 O ATOM 0 H TYR A 32 3.751 -7.789 7.554 1.00 21.11 H new ATOM 0 HA TYR A 32 4.447 -5.059 7.901 1.00 43.42 H new ATOM 0 HB2 TYR A 32 5.791 -6.787 6.720 1.00 12.23 H new ATOM 0 HB3 TYR A 32 4.559 -6.897 5.478 1.00 12.23 H new ATOM 0 HD1 TYR A 32 4.167 -5.016 3.907 1.00 73.42 H new ATOM 0 HD2 TYR A 32 7.366 -4.908 6.782 1.00 4.21 H new ATOM 0 HE1 TYR A 32 5.131 -3.045 2.757 1.00 74.05 H new ATOM 0 HE2 TYR A 32 8.350 -2.939 5.623 1.00 35.14 H new ATOM 0 HH TYR A 32 8.021 -1.352 4.024 1.00 63.11 H new ATOM 494 N ALA A 33 1.733 -5.617 6.145 1.00 52.52 N ATOM 495 CA ALA A 33 0.559 -4.936 5.610 1.00 2.54 C ATOM 496 C ALA A 33 -0.155 -4.026 6.631 1.00 11.33 C ATOM 497 O ALA A 33 -1.105 -3.335 6.251 1.00 2.20 O ATOM 498 CB ALA A 33 -0.399 -5.959 4.995 1.00 11.53 C ATOM 0 H ALA A 33 1.633 -6.630 6.207 1.00 52.52 H new ATOM 0 HA ALA A 33 0.912 -4.259 4.832 1.00 2.54 H new ATOM 0 HB1 ALA A 33 -1.274 -5.445 4.597 1.00 11.53 H new ATOM 0 HB2 ALA A 33 0.106 -6.492 4.190 1.00 11.53 H new ATOM 0 HB3 ALA A 33 -0.712 -6.670 5.760 1.00 11.53 H new ATOM 504 N ALA A 34 0.264 -3.983 7.904 1.00 34.00 N ATOM 505 CA ALA A 34 -0.083 -2.881 8.804 1.00 24.01 C ATOM 506 C ALA A 34 0.838 -1.677 8.588 1.00 74.43 C ATOM 507 O ALA A 34 0.348 -0.554 8.507 1.00 1.44 O ATOM 508 CB ALA A 34 0.003 -3.330 10.258 1.00 2.53 C ATOM 0 H ALA A 34 0.846 -4.703 8.332 1.00 34.00 H new ATOM 0 HA ALA A 34 -1.107 -2.583 8.577 1.00 24.01 H new ATOM 0 HB1 ALA A 34 -0.258 -2.498 10.912 1.00 2.53 H new ATOM 0 HB2 ALA A 34 -0.690 -4.155 10.426 1.00 2.53 H new ATOM 0 HB3 ALA A 34 1.019 -3.659 10.478 1.00 2.53 H new ATOM 514 N GLU A 35 2.147 -1.893 8.441 1.00 40.52 N ATOM 515 CA GLU A 35 3.151 -0.836 8.367 1.00 61.05 C ATOM 516 C GLU A 35 2.857 0.158 7.249 1.00 3.33 C ATOM 517 O GLU A 35 3.123 1.346 7.406 1.00 32.44 O ATOM 518 CB GLU A 35 4.538 -1.455 8.124 1.00 23.00 C ATOM 519 CG GLU A 35 5.082 -2.225 9.325 1.00 12.44 C ATOM 520 CD GLU A 35 5.466 -1.263 10.447 1.00 2.52 C ATOM 521 OE1 GLU A 35 6.349 -0.395 10.251 1.00 53.21 O ATOM 522 OE2 GLU A 35 4.844 -1.345 11.528 1.00 42.54 O ATOM 0 H GLU A 35 2.545 -2.830 8.369 1.00 40.52 H new ATOM 0 HA GLU A 35 3.127 -0.300 9.316 1.00 61.05 H new ATOM 0 HB2 GLU A 35 4.482 -2.127 7.267 1.00 23.00 H new ATOM 0 HB3 GLU A 35 5.240 -0.663 7.863 1.00 23.00 H new ATOM 0 HG2 GLU A 35 4.331 -2.930 9.683 1.00 12.44 H new ATOM 0 HG3 GLU A 35 5.952 -2.810 9.026 1.00 12.44 H new ATOM 529 N VAL A 36 2.320 -0.299 6.119 1.00 55.24 N ATOM 530 CA VAL A 36 2.032 0.558 4.967 1.00 62.42 C ATOM 531 C VAL A 36 0.724 1.348 5.138 1.00 32.32 C ATOM 532 O VAL A 36 0.448 2.236 4.335 1.00 41.33 O ATOM 533 CB VAL A 36 2.120 -0.287 3.678 1.00 4.22 C ATOM 534 CG1 VAL A 36 1.865 0.482 2.374 1.00 2.51 C ATOM 535 CG2 VAL A 36 3.537 -0.877 3.603 1.00 44.31 C ATOM 0 H VAL A 36 2.071 -1.278 5.975 1.00 55.24 H new ATOM 0 HA VAL A 36 2.787 1.340 4.887 1.00 62.42 H new ATOM 0 HB VAL A 36 1.332 -1.036 3.749 1.00 4.22 H new ATOM 0 HG11 VAL A 36 1.950 -0.199 1.527 1.00 2.51 H new ATOM 0 HG12 VAL A 36 0.864 0.912 2.395 1.00 2.51 H new ATOM 0 HG13 VAL A 36 2.601 1.280 2.272 1.00 2.51 H new ATOM 0 HG21 VAL A 36 3.632 -1.481 2.701 1.00 44.31 H new ATOM 0 HG22 VAL A 36 4.267 -0.068 3.577 1.00 44.31 H new ATOM 0 HG23 VAL A 36 3.718 -1.501 4.478 1.00 44.31 H new ATOM 545 N VAL A 37 -0.066 1.076 6.179 1.00 13.14 N ATOM 546 CA VAL A 37 -1.328 1.760 6.476 1.00 0.52 C ATOM 547 C VAL A 37 -1.125 2.921 7.461 1.00 72.15 C ATOM 548 O VAL A 37 -1.980 3.801 7.583 1.00 14.22 O ATOM 549 CB VAL A 37 -2.320 0.715 7.021 1.00 13.54 C ATOM 550 CG1 VAL A 37 -3.665 1.332 7.410 1.00 62.03 C ATOM 551 CG2 VAL A 37 -2.551 -0.407 5.995 1.00 14.22 C ATOM 0 H VAL A 37 0.161 0.351 6.860 1.00 13.14 H new ATOM 0 HA VAL A 37 -1.729 2.207 5.566 1.00 0.52 H new ATOM 0 HB VAL A 37 -1.867 0.301 7.922 1.00 13.54 H new ATOM 0 HG11 VAL A 37 -4.327 0.553 7.788 1.00 62.03 H new ATOM 0 HG12 VAL A 37 -3.510 2.084 8.184 1.00 62.03 H new ATOM 0 HG13 VAL A 37 -4.117 1.800 6.536 1.00 62.03 H new ATOM 0 HG21 VAL A 37 -3.255 -1.133 6.402 1.00 14.22 H new ATOM 0 HG22 VAL A 37 -2.958 0.017 5.077 1.00 14.22 H new ATOM 0 HG23 VAL A 37 -1.604 -0.902 5.778 1.00 14.22 H new ATOM 561 N LYS A 38 -0.022 2.915 8.201 1.00 13.14 N ATOM 562 CA LYS A 38 0.137 3.804 9.338 1.00 34.23 C ATOM 563 C LYS A 38 0.664 5.201 8.978 1.00 44.12 C ATOM 564 O LYS A 38 0.852 5.985 9.907 1.00 12.12 O ATOM 565 CB LYS A 38 0.952 3.073 10.419 1.00 15.42 C ATOM 566 CG LYS A 38 0.184 3.083 11.748 1.00 31.32 C ATOM 567 CD LYS A 38 0.925 2.374 12.894 1.00 53.22 C ATOM 568 CE LYS A 38 2.048 3.227 13.500 1.00 70.04 C ATOM 569 NZ LYS A 38 1.568 4.301 14.392 1.00 43.14 N ATOM 0 H LYS A 38 0.775 2.302 8.031 1.00 13.14 H new ATOM 0 HA LYS A 38 -0.848 4.033 9.744 1.00 34.23 H new ATOM 0 HB2 LYS A 38 1.146 2.046 10.109 1.00 15.42 H new ATOM 0 HB3 LYS A 38 1.921 3.556 10.545 1.00 15.42 H new ATOM 0 HG2 LYS A 38 -0.011 4.116 12.037 1.00 31.32 H new ATOM 0 HG3 LYS A 38 -0.784 2.604 11.602 1.00 31.32 H new ATOM 0 HD2 LYS A 38 0.211 2.115 13.676 1.00 53.22 H new ATOM 0 HD3 LYS A 38 1.346 1.439 12.524 1.00 53.22 H new ATOM 0 HE2 LYS A 38 2.723 2.578 14.059 1.00 70.04 H new ATOM 0 HE3 LYS A 38 2.630 3.672 12.692 1.00 70.04 H new ATOM 0 HZ1 LYS A 38 2.381 4.834 14.763 1.00 43.14 H new ATOM 0 HZ2 LYS A 38 0.947 4.943 13.859 1.00 43.14 H new ATOM 0 HZ3 LYS A 38 1.037 3.884 15.183 1.00 43.14 H new ATOM 583 N ALA A 39 0.891 5.537 7.704 1.00 55.14 N ATOM 584 CA ALA A 39 1.432 6.829 7.279 1.00 54.35 C ATOM 585 C ALA A 39 0.395 7.739 6.623 1.00 73.11 C ATOM 586 O ALA A 39 0.643 8.939 6.530 1.00 24.34 O ATOM 587 CB ALA A 39 2.591 6.622 6.299 1.00 75.32 C ATOM 0 H ALA A 39 0.700 4.906 6.926 1.00 55.14 H new ATOM 0 HA ALA A 39 1.773 7.322 8.189 1.00 54.35 H new ATOM 0 HB1 ALA A 39 2.984 7.591 5.991 1.00 75.32 H new ATOM 0 HB2 ALA A 39 3.380 6.048 6.785 1.00 75.32 H new ATOM 0 HB3 ALA A 39 2.235 6.080 5.423 1.00 75.32 H new ATOM 593 N ASP A 40 -0.739 7.204 6.163 1.00 72.04 N ATOM 594 CA ASP A 40 -1.835 7.983 5.586 1.00 53.21 C ATOM 595 C ASP A 40 -2.542 8.744 6.709 1.00 73.04 C ATOM 596 O ASP A 40 -3.565 8.288 7.237 1.00 40.10 O ATOM 597 CB ASP A 40 -2.789 7.073 4.800 1.00 74.12 C ATOM 598 CG ASP A 40 -4.021 7.793 4.237 1.00 11.21 C ATOM 599 OD1 ASP A 40 -4.130 9.042 4.282 1.00 34.23 O ATOM 600 OD2 ASP A 40 -4.890 7.055 3.715 1.00 55.31 O ATOM 0 H ASP A 40 -0.923 6.201 6.182 1.00 72.04 H new ATOM 0 HA ASP A 40 -1.447 8.710 4.872 1.00 53.21 H new ATOM 0 HB2 ASP A 40 -2.241 6.616 3.976 1.00 74.12 H new ATOM 0 HB3 ASP A 40 -3.120 6.264 5.451 1.00 74.12 H new ATOM 605 N PHE A 41 -1.919 9.859 7.102 1.00 73.01 N ATOM 606 CA PHE A 41 -2.350 10.860 8.061 1.00 42.53 C ATOM 607 C PHE A 41 -1.639 12.166 7.686 1.00 42.20 C ATOM 608 O PHE A 41 -0.421 12.274 7.854 1.00 35.32 O ATOM 609 CB PHE A 41 -1.967 10.457 9.497 1.00 63.32 C ATOM 610 CG PHE A 41 -2.577 9.157 9.980 1.00 62.23 C ATOM 611 CD1 PHE A 41 -3.931 9.102 10.360 1.00 41.23 C ATOM 612 CD2 PHE A 41 -1.806 7.980 9.971 1.00 14.32 C ATOM 613 CE1 PHE A 41 -4.521 7.868 10.684 1.00 20.41 C ATOM 614 CE2 PHE A 41 -2.398 6.748 10.291 1.00 53.23 C ATOM 615 CZ PHE A 41 -3.761 6.685 10.621 1.00 51.53 C ATOM 0 H PHE A 41 -1.008 10.100 6.712 1.00 73.01 H new ATOM 0 HA PHE A 41 -3.434 10.967 8.032 1.00 42.53 H new ATOM 0 HB2 PHE A 41 -0.882 10.377 9.559 1.00 63.32 H new ATOM 0 HB3 PHE A 41 -2.267 11.256 10.175 1.00 63.32 H new ATOM 0 HD1 PHE A 41 -4.517 10.008 10.403 1.00 41.23 H new ATOM 0 HD2 PHE A 41 -0.757 8.024 9.718 1.00 14.32 H new ATOM 0 HE1 PHE A 41 -5.558 7.828 10.982 1.00 20.41 H new ATOM 0 HE2 PHE A 41 -1.803 5.846 10.283 1.00 53.23 H new ATOM 0 HZ PHE A 41 -4.225 5.732 10.826 1.00 51.53 H new ATOM 625 N GLU A 42 -2.373 13.167 7.196 1.00 33.22 N ATOM 626 CA GLU A 42 -1.907 14.552 7.002 1.00 62.40 C ATOM 627 C GLU A 42 -0.870 14.737 5.875 1.00 31.24 C ATOM 628 O GLU A 42 -0.336 15.825 5.677 1.00 43.43 O ATOM 629 CB GLU A 42 -1.414 15.153 8.343 1.00 75.10 C ATOM 630 CG GLU A 42 -2.267 16.325 8.823 1.00 14.35 C ATOM 631 CD GLU A 42 -2.284 17.495 7.840 1.00 12.13 C ATOM 632 OE1 GLU A 42 -3.149 17.506 6.935 1.00 72.04 O ATOM 633 OE2 GLU A 42 -1.532 18.467 8.072 1.00 51.53 O ATOM 0 H GLU A 42 -3.344 13.036 6.912 1.00 33.22 H new ATOM 0 HA GLU A 42 -2.778 15.110 6.658 1.00 62.40 H new ATOM 0 HB2 GLU A 42 -1.415 14.374 9.106 1.00 75.10 H new ATOM 0 HB3 GLU A 42 -0.382 15.485 8.228 1.00 75.10 H new ATOM 0 HG2 GLU A 42 -3.288 15.981 8.987 1.00 14.35 H new ATOM 0 HG3 GLU A 42 -1.889 16.672 9.785 1.00 14.35 H new ATOM 640 N GLU A 43 -0.595 13.696 5.094 1.00 60.24 N ATOM 641 CA GLU A 43 0.368 13.679 3.992 1.00 21.10 C ATOM 642 C GLU A 43 -0.053 14.449 2.730 1.00 22.01 C ATOM 643 O GLU A 43 0.491 14.236 1.642 1.00 24.41 O ATOM 644 CB GLU A 43 0.612 12.225 3.636 1.00 63.32 C ATOM 645 CG GLU A 43 -0.648 11.475 3.180 1.00 41.14 C ATOM 646 CD GLU A 43 -0.330 10.133 2.537 1.00 64.34 C ATOM 647 OE1 GLU A 43 0.852 9.860 2.223 1.00 20.13 O ATOM 648 OE2 GLU A 43 -1.307 9.412 2.236 1.00 73.33 O ATOM 0 H GLU A 43 -1.059 12.796 5.217 1.00 60.24 H new ATOM 0 HA GLU A 43 1.261 14.196 4.343 1.00 21.10 H new ATOM 0 HB2 GLU A 43 1.359 12.176 2.843 1.00 63.32 H new ATOM 0 HB3 GLU A 43 1.033 11.715 4.503 1.00 63.32 H new ATOM 0 HG2 GLU A 43 -1.302 11.317 4.037 1.00 41.14 H new ATOM 0 HG3 GLU A 43 -1.197 12.093 2.470 1.00 41.14 H new ATOM 655 N ALA A 44 -1.074 15.279 2.888 1.00 75.02 N ATOM 656 CA ALA A 44 -1.769 16.126 1.937 1.00 1.52 C ATOM 657 C ALA A 44 -2.143 15.525 0.575 1.00 2.33 C ATOM 658 O ALA A 44 -2.570 16.251 -0.333 1.00 40.22 O ATOM 659 CB ALA A 44 -1.017 17.460 1.821 1.00 35.35 C ATOM 0 H ALA A 44 -1.487 15.385 3.814 1.00 75.02 H new ATOM 0 HA ALA A 44 -2.763 16.272 2.359 1.00 1.52 H new ATOM 0 HB1 ALA A 44 -1.530 18.106 1.108 1.00 35.35 H new ATOM 0 HB2 ALA A 44 -0.987 17.947 2.796 1.00 35.35 H new ATOM 0 HB3 ALA A 44 0.000 17.275 1.476 1.00 35.35 H new ATOM 665 N GLY A 45 -2.082 14.206 0.444 1.00 75.21 N ATOM 666 CA GLY A 45 -2.358 13.483 -0.781 1.00 41.22 C ATOM 667 C GLY A 45 -1.854 12.049 -0.713 1.00 54.43 C ATOM 668 O GLY A 45 -2.667 11.140 -0.566 1.00 24.43 O ATOM 0 H GLY A 45 -1.829 13.592 1.219 1.00 75.21 H new ATOM 0 HA2 GLY A 45 -3.432 13.483 -0.970 1.00 41.22 H new ATOM 0 HA3 GLY A 45 -1.887 13.995 -1.620 1.00 41.22 H new ATOM 672 N HIS A 46 -0.549 11.826 -0.884 1.00 0.31 N ATOM 673 CA HIS A 46 0.058 10.493 -0.829 1.00 62.23 C ATOM 674 C HIS A 46 1.594 10.575 -0.771 1.00 60.22 C ATOM 675 O HIS A 46 2.286 9.785 -1.420 1.00 62.23 O ATOM 676 CB HIS A 46 -0.486 9.541 -1.919 1.00 23.22 C ATOM 677 CG HIS A 46 -0.744 10.127 -3.276 1.00 32.31 C ATOM 678 ND1 HIS A 46 -1.911 10.693 -3.740 1.00 55.33 N ATOM 679 CD2 HIS A 46 0.087 9.977 -4.335 1.00 2.13 C ATOM 680 CE1 HIS A 46 -1.764 10.915 -5.058 1.00 22.05 C ATOM 681 NE2 HIS A 46 -0.534 10.536 -5.461 1.00 53.24 N ATOM 0 H HIS A 46 0.123 12.572 -1.066 1.00 0.31 H new ATOM 0 HA HIS A 46 -0.251 10.031 0.109 1.00 62.23 H new ATOM 0 HB2 HIS A 46 0.222 8.720 -2.035 1.00 23.22 H new ATOM 0 HB3 HIS A 46 -1.418 9.109 -1.555 1.00 23.22 H new ATOM 0 HD2 HIS A 46 1.060 9.508 -4.315 1.00 2.13 H new ATOM 0 HE1 HIS A 46 -2.522 11.336 -5.702 1.00 22.05 H new ATOM 0 HE2 HIS A 46 -0.136 10.636 -6.395 1.00 53.24 H new ATOM 689 N GLU A 47 2.164 11.567 -0.079 1.00 72.03 N ATOM 690 CA GLU A 47 3.618 11.694 0.042 1.00 14.32 C ATOM 691 C GLU A 47 4.185 10.751 1.104 1.00 4.21 C ATOM 692 O GLU A 47 5.177 10.060 0.865 1.00 11.41 O ATOM 693 CB GLU A 47 4.019 13.135 0.392 1.00 12.53 C ATOM 694 CG GLU A 47 3.628 14.171 -0.667 1.00 15.44 C ATOM 695 CD GLU A 47 4.092 13.787 -2.069 1.00 33.01 C ATOM 696 OE1 GLU A 47 5.313 13.753 -2.340 1.00 31.02 O ATOM 697 OE2 GLU A 47 3.217 13.496 -2.918 1.00 14.30 O ATOM 0 H GLU A 47 1.639 12.294 0.406 1.00 72.03 H new ATOM 0 HA GLU A 47 4.035 11.423 -0.928 1.00 14.32 H new ATOM 0 HB2 GLU A 47 3.556 13.409 1.340 1.00 12.53 H new ATOM 0 HB3 GLU A 47 5.098 13.174 0.541 1.00 12.53 H new ATOM 0 HG2 GLU A 47 2.545 14.292 -0.668 1.00 15.44 H new ATOM 0 HG3 GLU A 47 4.056 15.137 -0.399 1.00 15.44 H new ATOM 704 N ASP A 48 3.602 10.746 2.300 1.00 33.03 N ATOM 705 CA ASP A 48 4.217 10.148 3.484 1.00 4.41 C ATOM 706 C ASP A 48 4.057 8.623 3.459 1.00 3.21 C ATOM 707 O ASP A 48 4.912 7.885 3.958 1.00 4.30 O ATOM 708 CB ASP A 48 3.642 10.795 4.756 1.00 21.30 C ATOM 709 CG ASP A 48 4.705 10.979 5.840 1.00 71.35 C ATOM 710 OD1 ASP A 48 5.584 11.861 5.692 1.00 2.23 O ATOM 711 OD2 ASP A 48 4.643 10.274 6.877 1.00 23.32 O ATOM 0 H ASP A 48 2.686 11.158 2.477 1.00 33.03 H new ATOM 0 HA ASP A 48 5.289 10.345 3.483 1.00 4.41 H new ATOM 0 HB2 ASP A 48 3.209 11.764 4.505 1.00 21.30 H new ATOM 0 HB3 ASP A 48 2.833 10.175 5.144 1.00 21.30 H new ATOM 716 N VAL A 49 3.020 8.137 2.773 1.00 34.31 N ATOM 717 CA VAL A 49 2.854 6.747 2.376 1.00 2.22 C ATOM 718 C VAL A 49 3.987 6.320 1.454 1.00 60.23 C ATOM 719 O VAL A 49 4.530 5.227 1.648 1.00 33.03 O ATOM 720 CB VAL A 49 1.481 6.574 1.687 1.00 4.30 C ATOM 721 CG1 VAL A 49 1.313 5.219 0.976 1.00 51.54 C ATOM 722 CG2 VAL A 49 0.371 6.675 2.728 1.00 3.52 C ATOM 0 H VAL A 49 2.246 8.728 2.470 1.00 34.31 H new ATOM 0 HA VAL A 49 2.888 6.109 3.259 1.00 2.22 H new ATOM 0 HB VAL A 49 1.423 7.363 0.938 1.00 4.30 H new ATOM 0 HG11 VAL A 49 0.326 5.169 0.516 1.00 51.54 H new ATOM 0 HG12 VAL A 49 2.078 5.115 0.206 1.00 51.54 H new ATOM 0 HG13 VAL A 49 1.416 4.412 1.702 1.00 51.54 H new ATOM 0 HG21 VAL A 49 -0.597 6.553 2.241 1.00 3.52 H new ATOM 0 HG22 VAL A 49 0.502 5.893 3.476 1.00 3.52 H new ATOM 0 HG23 VAL A 49 0.413 7.651 3.211 1.00 3.52 H new ATOM 732 N MET A 50 4.312 7.128 0.439 1.00 41.12 N ATOM 733 CA MET A 50 5.369 6.801 -0.506 1.00 32.24 C ATOM 734 C MET A 50 6.701 6.786 0.234 1.00 71.33 C ATOM 735 O MET A 50 7.397 5.771 0.183 1.00 42.42 O ATOM 736 CB MET A 50 5.380 7.759 -1.708 1.00 3.21 C ATOM 737 CG MET A 50 4.195 7.576 -2.667 1.00 34.33 C ATOM 738 SD MET A 50 4.373 6.297 -3.948 1.00 24.03 S ATOM 739 CE MET A 50 3.791 4.825 -3.075 1.00 74.44 C ATOM 0 H MET A 50 3.850 8.019 0.256 1.00 41.12 H new ATOM 0 HA MET A 50 5.186 5.811 -0.923 1.00 32.24 H new ATOM 0 HB2 MET A 50 5.381 8.785 -1.341 1.00 3.21 H new ATOM 0 HB3 MET A 50 6.308 7.618 -2.263 1.00 3.21 H new ATOM 0 HG2 MET A 50 3.310 7.344 -2.074 1.00 34.33 H new ATOM 0 HG3 MET A 50 4.007 8.529 -3.161 1.00 34.33 H new ATOM 0 HE1 MET A 50 3.424 4.095 -3.797 1.00 74.44 H new ATOM 0 HE2 MET A 50 4.613 4.391 -2.506 1.00 74.44 H new ATOM 0 HE3 MET A 50 2.985 5.100 -2.395 1.00 74.44 H new ATOM 749 N ARG A 51 7.049 7.856 0.962 1.00 41.35 N ATOM 750 CA ARG A 51 8.336 7.951 1.643 1.00 20.40 C ATOM 751 C ARG A 51 8.543 6.753 2.572 1.00 54.45 C ATOM 752 O ARG A 51 9.666 6.257 2.654 1.00 52.45 O ATOM 753 CB ARG A 51 8.468 9.301 2.368 1.00 43.31 C ATOM 754 CG ARG A 51 8.091 9.257 3.852 1.00 43.35 C ATOM 755 CD ARG A 51 7.974 10.631 4.480 1.00 1.22 C ATOM 756 NE ARG A 51 9.237 11.374 4.537 1.00 2.21 N ATOM 757 CZ ARG A 51 9.354 12.561 5.138 1.00 15.22 C ATOM 758 NH1 ARG A 51 8.300 13.091 5.763 1.00 41.35 N ATOM 759 NH2 ARG A 51 10.529 13.177 5.170 1.00 62.04 N ATOM 0 H ARG A 51 6.448 8.670 1.091 1.00 41.35 H new ATOM 0 HA ARG A 51 9.135 7.915 0.903 1.00 20.40 H new ATOM 0 HB2 ARG A 51 9.496 9.651 2.276 1.00 43.31 H new ATOM 0 HB3 ARG A 51 7.836 10.034 1.866 1.00 43.31 H new ATOM 0 HG2 ARG A 51 7.142 8.732 3.964 1.00 43.35 H new ATOM 0 HG3 ARG A 51 8.841 8.680 4.394 1.00 43.35 H new ATOM 0 HD2 ARG A 51 7.247 11.215 3.916 1.00 1.22 H new ATOM 0 HD3 ARG A 51 7.582 10.524 5.491 1.00 1.22 H new ATOM 0 HE ARG A 51 10.063 10.966 4.098 1.00 2.21 H new ATOM 0 HH11 ARG A 51 7.412 12.590 5.780 1.00 41.35 H new ATOM 0 HH12 ARG A 51 8.383 13.997 6.224 1.00 41.35 H new ATOM 0 HH21 ARG A 51 11.344 12.744 4.735 1.00 62.04 H new ATOM 0 HH22 ARG A 51 10.617 14.083 5.629 1.00 62.04 H new ATOM 773 N LYS A 52 7.470 6.271 3.226 1.00 60.43 N ATOM 774 CA LYS A 52 7.522 5.098 4.086 1.00 43.31 C ATOM 775 C LYS A 52 8.137 3.959 3.293 1.00 20.00 C ATOM 776 O LYS A 52 9.221 3.490 3.637 1.00 61.44 O ATOM 777 CB LYS A 52 6.130 4.744 4.646 1.00 52.12 C ATOM 778 CG LYS A 52 6.149 3.679 5.760 1.00 51.31 C ATOM 779 CD LYS A 52 6.320 2.239 5.242 1.00 13.10 C ATOM 780 CE LYS A 52 6.262 1.186 6.344 1.00 52.41 C ATOM 781 NZ LYS A 52 7.302 1.373 7.373 1.00 22.30 N ATOM 0 H LYS A 52 6.544 6.694 3.165 1.00 60.43 H new ATOM 0 HA LYS A 52 8.143 5.300 4.959 1.00 43.31 H new ATOM 0 HB2 LYS A 52 5.665 5.651 5.034 1.00 52.12 H new ATOM 0 HB3 LYS A 52 5.502 4.388 3.829 1.00 52.12 H new ATOM 0 HG2 LYS A 52 6.961 3.905 6.452 1.00 51.31 H new ATOM 0 HG3 LYS A 52 5.220 3.743 6.327 1.00 51.31 H new ATOM 0 HD2 LYS A 52 5.541 2.030 4.509 1.00 13.10 H new ATOM 0 HD3 LYS A 52 7.275 2.159 4.723 1.00 13.10 H new ATOM 0 HE2 LYS A 52 5.281 1.216 6.817 1.00 52.41 H new ATOM 0 HE3 LYS A 52 6.371 0.197 5.900 1.00 52.41 H new ATOM 0 HZ1 LYS A 52 7.539 0.454 7.798 1.00 22.30 H new ATOM 0 HZ2 LYS A 52 8.152 1.783 6.937 1.00 22.30 H new ATOM 0 HZ3 LYS A 52 6.949 2.015 8.111 1.00 22.30 H new ATOM 795 N VAL A 53 7.434 3.476 2.271 1.00 54.42 N ATOM 796 CA VAL A 53 7.795 2.237 1.607 1.00 20.24 C ATOM 797 C VAL A 53 9.101 2.378 0.845 1.00 33.34 C ATOM 798 O VAL A 53 9.808 1.382 0.694 1.00 32.20 O ATOM 799 CB VAL A 53 6.659 1.762 0.690 1.00 33.00 C ATOM 800 CG1 VAL A 53 5.463 1.345 1.546 1.00 72.23 C ATOM 801 CG2 VAL A 53 6.242 2.789 -0.376 1.00 71.22 C ATOM 0 H VAL A 53 6.606 3.932 1.887 1.00 54.42 H new ATOM 0 HA VAL A 53 7.949 1.477 2.373 1.00 20.24 H new ATOM 0 HB VAL A 53 7.039 0.909 0.128 1.00 33.00 H new ATOM 0 HG11 VAL A 53 4.653 1.007 0.900 1.00 72.23 H new ATOM 0 HG12 VAL A 53 5.758 0.535 2.213 1.00 72.23 H new ATOM 0 HG13 VAL A 53 5.124 2.196 2.137 1.00 72.23 H new ATOM 0 HG21 VAL A 53 5.435 2.377 -0.982 1.00 71.22 H new ATOM 0 HG22 VAL A 53 5.900 3.702 0.112 1.00 71.22 H new ATOM 0 HG23 VAL A 53 7.095 3.017 -1.015 1.00 71.22 H new ATOM 811 N LEU A 54 9.409 3.587 0.378 1.00 43.55 N ATOM 812 CA LEU A 54 10.613 3.890 -0.368 1.00 13.23 C ATOM 813 C LEU A 54 11.830 3.775 0.546 1.00 3.24 C ATOM 814 O LEU A 54 12.753 3.019 0.235 1.00 22.33 O ATOM 815 CB LEU A 54 10.488 5.291 -0.982 1.00 62.01 C ATOM 816 CG LEU A 54 9.511 5.360 -2.169 1.00 71.12 C ATOM 817 CD1 LEU A 54 9.181 6.820 -2.475 1.00 52.24 C ATOM 818 CD2 LEU A 54 10.096 4.704 -3.426 1.00 11.13 C ATOM 0 H LEU A 54 8.807 4.399 0.516 1.00 43.55 H new ATOM 0 HA LEU A 54 10.744 3.175 -1.180 1.00 13.23 H new ATOM 0 HB2 LEU A 54 10.159 5.988 -0.211 1.00 62.01 H new ATOM 0 HB3 LEU A 54 11.472 5.622 -1.313 1.00 62.01 H new ATOM 0 HG LEU A 54 8.609 4.816 -1.889 1.00 71.12 H new ATOM 0 HD11 LEU A 54 8.489 6.868 -3.316 1.00 52.24 H new ATOM 0 HD12 LEU A 54 8.722 7.280 -1.600 1.00 52.24 H new ATOM 0 HD13 LEU A 54 10.097 7.355 -2.728 1.00 52.24 H new ATOM 0 HD21 LEU A 54 9.376 4.773 -4.241 1.00 11.13 H new ATOM 0 HD22 LEU A 54 11.015 5.216 -3.709 1.00 11.13 H new ATOM 0 HD23 LEU A 54 10.313 3.655 -3.222 1.00 11.13 H new ATOM 830 N GLY A 55 11.807 4.464 1.692 1.00 51.14 N ATOM 831 CA GLY A 55 12.848 4.380 2.704 1.00 14.22 C ATOM 832 C GLY A 55 13.004 2.947 3.198 1.00 32.44 C ATOM 833 O GLY A 55 14.116 2.417 3.213 1.00 51.31 O ATOM 0 H GLY A 55 11.051 5.103 1.939 1.00 51.14 H new ATOM 0 HA2 GLY A 55 13.793 4.732 2.291 1.00 14.22 H new ATOM 0 HA3 GLY A 55 12.602 5.034 3.541 1.00 14.22 H new ATOM 837 N ASP A 56 11.890 2.286 3.534 1.00 14.53 N ATOM 838 CA ASP A 56 11.895 0.921 4.057 1.00 3.11 C ATOM 839 C ASP A 56 12.331 -0.098 2.993 1.00 73.01 C ATOM 840 O ASP A 56 12.724 -1.207 3.355 1.00 13.21 O ATOM 841 CB ASP A 56 10.510 0.528 4.609 1.00 54.12 C ATOM 842 CG ASP A 56 10.289 0.859 6.084 1.00 52.14 C ATOM 843 OD1 ASP A 56 9.892 1.995 6.434 1.00 53.41 O ATOM 844 OD2 ASP A 56 10.347 -0.075 6.911 1.00 63.11 O ATOM 0 H ASP A 56 10.956 2.688 3.449 1.00 14.53 H new ATOM 0 HA ASP A 56 12.621 0.903 4.870 1.00 3.11 H new ATOM 0 HB2 ASP A 56 9.744 1.032 4.020 1.00 54.12 H new ATOM 0 HB3 ASP A 56 10.369 -0.543 4.467 1.00 54.12 H new ATOM 849 N LEU A 57 12.207 0.201 1.687 1.00 64.12 N ATOM 850 CA LEU A 57 12.788 -0.619 0.616 1.00 43.45 C ATOM 851 C LEU A 57 14.293 -0.390 0.494 1.00 61.15 C ATOM 852 O LEU A 57 14.991 -1.259 -0.023 1.00 60.12 O ATOM 853 CB LEU A 57 12.171 -0.287 -0.760 1.00 40.25 C ATOM 854 CG LEU A 57 10.908 -1.057 -1.190 1.00 64.23 C ATOM 855 CD1 LEU A 57 10.696 -0.776 -2.681 1.00 61.24 C ATOM 856 CD2 LEU A 57 10.969 -2.572 -0.977 1.00 13.14 C ATOM 0 H LEU A 57 11.700 1.019 1.348 1.00 64.12 H new ATOM 0 HA LEU A 57 12.575 -1.653 0.887 1.00 43.45 H new ATOM 0 HB2 LEU A 57 11.934 0.777 -0.772 1.00 40.25 H new ATOM 0 HB3 LEU A 57 12.937 -0.451 -1.518 1.00 40.25 H new ATOM 0 HG LEU A 57 10.089 -0.709 -0.560 1.00 64.23 H new ATOM 0 HD11 LEU A 57 9.808 -1.304 -3.028 1.00 61.24 H new ATOM 0 HD12 LEU A 57 10.564 0.295 -2.834 1.00 61.24 H new ATOM 0 HD13 LEU A 57 11.565 -1.119 -3.243 1.00 61.24 H new ATOM 0 HD21 LEU A 57 10.035 -3.024 -1.310 1.00 13.14 H new ATOM 0 HD22 LEU A 57 11.797 -2.987 -1.551 1.00 13.14 H new ATOM 0 HD23 LEU A 57 11.118 -2.785 0.082 1.00 13.14 H new ATOM 868 N ASP A 58 14.795 0.771 0.904 1.00 43.21 N ATOM 869 CA ASP A 58 16.187 1.188 0.739 1.00 64.01 C ATOM 870 C ASP A 58 16.616 1.232 -0.737 1.00 43.42 C ATOM 871 O ASP A 58 17.742 0.874 -1.087 1.00 61.43 O ATOM 872 CB ASP A 58 17.113 0.297 1.585 1.00 12.44 C ATOM 873 CG ASP A 58 18.326 1.046 2.138 1.00 3.31 C ATOM 874 OD1 ASP A 58 18.613 2.201 1.753 1.00 62.02 O ATOM 875 OD2 ASP A 58 19.007 0.446 3.009 1.00 75.45 O ATOM 0 H ASP A 58 14.226 1.473 1.377 1.00 43.21 H new ATOM 0 HA ASP A 58 16.274 2.212 1.103 1.00 64.01 H new ATOM 0 HB2 ASP A 58 16.544 -0.124 2.414 1.00 12.44 H new ATOM 0 HB3 ASP A 58 17.457 -0.540 0.977 1.00 12.44 H new ATOM 880 N GLY A 59 15.697 1.605 -1.636 1.00 12.44 N ATOM 881 CA GLY A 59 15.976 1.656 -3.071 1.00 2.12 C ATOM 882 C GLY A 59 16.010 0.269 -3.725 1.00 34.14 C ATOM 883 O GLY A 59 16.637 0.093 -4.774 1.00 11.44 O ATOM 0 H GLY A 59 14.746 1.878 -1.389 1.00 12.44 H new ATOM 0 HA2 GLY A 59 15.216 2.264 -3.562 1.00 2.12 H new ATOM 0 HA3 GLY A 59 16.934 2.151 -3.232 1.00 2.12 H new ATOM 887 N LYS A 60 15.352 -0.735 -3.125 1.00 75.25 N ATOM 888 CA LYS A 60 15.198 -2.076 -3.699 1.00 42.53 C ATOM 889 C LYS A 60 14.481 -2.093 -5.049 1.00 20.14 C ATOM 890 O LYS A 60 14.660 -3.056 -5.796 1.00 54.14 O ATOM 891 CB LYS A 60 14.423 -2.983 -2.737 1.00 72.15 C ATOM 892 CG LYS A 60 15.303 -4.045 -2.079 1.00 14.31 C ATOM 893 CD LYS A 60 14.450 -5.094 -1.346 1.00 43.15 C ATOM 894 CE LYS A 60 15.093 -6.485 -1.416 1.00 54.13 C ATOM 895 NZ LYS A 60 14.785 -7.197 -2.676 1.00 20.33 N ATOM 0 H LYS A 60 14.906 -0.634 -2.213 1.00 75.25 H new ATOM 0 HA LYS A 60 16.213 -2.439 -3.858 1.00 42.53 H new ATOM 0 HB2 LYS A 60 13.961 -2.371 -1.962 1.00 72.15 H new ATOM 0 HB3 LYS A 60 13.615 -3.474 -3.280 1.00 72.15 H new ATOM 0 HG2 LYS A 60 15.915 -4.534 -2.836 1.00 14.31 H new ATOM 0 HG3 LYS A 60 15.986 -3.570 -1.375 1.00 14.31 H new ATOM 0 HD2 LYS A 60 14.326 -4.801 -0.304 1.00 43.15 H new ATOM 0 HD3 LYS A 60 13.454 -5.129 -1.788 1.00 43.15 H new ATOM 0 HE2 LYS A 60 16.174 -6.386 -1.315 1.00 54.13 H new ATOM 0 HE3 LYS A 60 14.747 -7.083 -0.573 1.00 54.13 H new ATOM 0 HZ1 LYS A 60 15.299 -8.101 -2.698 1.00 20.33 H new ATOM 0 HZ2 LYS A 60 13.762 -7.379 -2.731 1.00 20.33 H new ATOM 0 HZ3 LYS A 60 15.077 -6.613 -3.485 1.00 20.33 H new ATOM 909 N ARG A 61 13.610 -1.117 -5.312 1.00 20.03 N ATOM 910 CA ARG A 61 12.919 -0.936 -6.580 1.00 34.23 C ATOM 911 C ARG A 61 12.856 0.561 -6.867 1.00 60.44 C ATOM 912 O ARG A 61 12.806 1.341 -5.912 1.00 34.20 O ATOM 913 CB ARG A 61 11.499 -1.540 -6.544 1.00 74.23 C ATOM 914 CG ARG A 61 11.461 -3.064 -6.719 1.00 23.24 C ATOM 915 CD ARG A 61 11.963 -3.494 -8.102 1.00 71.31 C ATOM 916 NE ARG A 61 11.850 -4.946 -8.273 1.00 54.45 N ATOM 917 CZ ARG A 61 11.440 -5.616 -9.354 1.00 13.41 C ATOM 918 NH1 ARG A 61 10.950 -5.000 -10.427 1.00 4.11 N ATOM 919 NH2 ARG A 61 11.549 -6.938 -9.329 1.00 61.04 N ATOM 0 H ARG A 61 13.361 -0.409 -4.621 1.00 20.03 H new ATOM 0 HA ARG A 61 13.462 -1.456 -7.369 1.00 34.23 H new ATOM 0 HB2 ARG A 61 11.030 -1.282 -5.594 1.00 74.23 H new ATOM 0 HB3 ARG A 61 10.900 -1.080 -7.330 1.00 74.23 H new ATOM 0 HG2 ARG A 61 12.073 -3.533 -5.949 1.00 23.24 H new ATOM 0 HG3 ARG A 61 10.441 -3.420 -6.576 1.00 23.24 H new ATOM 0 HD2 ARG A 61 11.387 -2.987 -8.876 1.00 71.31 H new ATOM 0 HD3 ARG A 61 13.002 -3.189 -8.227 1.00 71.31 H new ATOM 0 HE ARG A 61 12.117 -5.514 -7.469 1.00 54.45 H new ATOM 0 HH11 ARG A 61 10.878 -3.983 -10.442 1.00 4.11 H new ATOM 0 HH12 ARG A 61 10.647 -5.545 -11.234 1.00 4.11 H new ATOM 0 HH21 ARG A 61 11.933 -7.403 -8.506 1.00 61.04 H new ATOM 0 HH22 ARG A 61 11.248 -7.490 -10.132 1.00 61.04 H new ATOM 933 N PRO A 62 12.782 0.954 -8.148 1.00 73.14 N ATOM 934 CA PRO A 62 12.719 2.348 -8.552 1.00 41.12 C ATOM 935 C PRO A 62 11.423 2.984 -8.075 1.00 53.24 C ATOM 936 O PRO A 62 10.357 2.367 -8.166 1.00 33.43 O ATOM 937 CB PRO A 62 12.775 2.336 -10.082 1.00 62.22 C ATOM 938 CG PRO A 62 12.383 0.923 -10.492 1.00 54.31 C ATOM 939 CD PRO A 62 12.805 0.076 -9.308 1.00 73.44 C ATOM 0 HA PRO A 62 13.535 2.928 -8.121 1.00 41.12 H new ATOM 0 HB2 PRO A 62 12.091 3.072 -10.506 1.00 62.22 H new ATOM 0 HB3 PRO A 62 13.774 2.586 -10.440 1.00 62.22 H new ATOM 0 HG2 PRO A 62 11.312 0.843 -10.680 1.00 54.31 H new ATOM 0 HG3 PRO A 62 12.891 0.616 -11.406 1.00 54.31 H new ATOM 0 HD2 PRO A 62 12.127 -0.766 -9.171 1.00 73.44 H new ATOM 0 HD3 PRO A 62 13.801 -0.339 -9.462 1.00 73.44 H new ATOM 947 N GLU A 63 11.483 4.257 -7.673 1.00 11.22 N ATOM 948 CA GLU A 63 10.296 4.997 -7.261 1.00 64.23 C ATOM 949 C GLU A 63 9.230 4.985 -8.363 1.00 20.24 C ATOM 950 O GLU A 63 8.050 4.856 -8.050 1.00 60.24 O ATOM 951 CB GLU A 63 10.663 6.421 -6.807 1.00 72.14 C ATOM 952 CG GLU A 63 9.402 7.169 -6.322 1.00 72.01 C ATOM 953 CD GLU A 63 9.612 8.406 -5.435 1.00 53.15 C ATOM 954 OE1 GLU A 63 10.697 8.628 -4.859 1.00 22.14 O ATOM 955 OE2 GLU A 63 8.605 9.131 -5.239 1.00 71.23 O ATOM 0 H GLU A 63 12.348 4.795 -7.626 1.00 11.22 H new ATOM 0 HA GLU A 63 9.859 4.496 -6.397 1.00 64.23 H new ATOM 0 HB2 GLU A 63 11.399 6.376 -6.004 1.00 72.14 H new ATOM 0 HB3 GLU A 63 11.123 6.966 -7.631 1.00 72.14 H new ATOM 0 HG2 GLU A 63 8.834 7.476 -7.200 1.00 72.01 H new ATOM 0 HG3 GLU A 63 8.781 6.462 -5.772 1.00 72.01 H new ATOM 962 N ALA A 64 9.627 5.031 -9.640 1.00 14.11 N ATOM 963 CA ALA A 64 8.699 4.962 -10.768 1.00 33.11 C ATOM 964 C ALA A 64 7.766 3.746 -10.687 1.00 3.11 C ATOM 965 O ALA A 64 6.552 3.902 -10.877 1.00 4.20 O ATOM 966 CB ALA A 64 9.456 4.956 -12.099 1.00 42.51 C ATOM 0 H ALA A 64 10.605 5.117 -9.918 1.00 14.11 H new ATOM 0 HA ALA A 64 8.077 5.856 -10.714 1.00 33.11 H new ATOM 0 HB1 ALA A 64 8.744 4.904 -12.922 1.00 42.51 H new ATOM 0 HB2 ALA A 64 10.046 5.868 -12.186 1.00 42.51 H new ATOM 0 HB3 ALA A 64 10.118 4.091 -12.137 1.00 42.51 H new ATOM 972 N GLU A 65 8.314 2.554 -10.423 1.00 34.20 N ATOM 973 CA GLU A 65 7.556 1.321 -10.253 1.00 63.34 C ATOM 974 C GLU A 65 6.631 1.449 -9.037 1.00 12.42 C ATOM 975 O GLU A 65 5.441 1.153 -9.124 1.00 73.41 O ATOM 976 CB GLU A 65 8.558 0.152 -10.131 1.00 13.44 C ATOM 977 CG GLU A 65 7.866 -1.211 -10.063 1.00 44.21 C ATOM 978 CD GLU A 65 8.796 -2.433 -10.185 1.00 2.50 C ATOM 979 OE1 GLU A 65 9.953 -2.328 -10.657 1.00 55.14 O ATOM 980 OE2 GLU A 65 8.354 -3.537 -9.788 1.00 34.03 O ATOM 0 H GLU A 65 9.320 2.423 -10.320 1.00 34.20 H new ATOM 0 HA GLU A 65 6.913 1.125 -11.111 1.00 63.34 H new ATOM 0 HB2 GLU A 65 9.236 0.169 -10.984 1.00 13.44 H new ATOM 0 HB3 GLU A 65 9.166 0.292 -9.237 1.00 13.44 H new ATOM 0 HG2 GLU A 65 7.327 -1.279 -9.118 1.00 44.21 H new ATOM 0 HG3 GLU A 65 7.122 -1.261 -10.858 1.00 44.21 H new ATOM 987 N VAL A 66 7.165 1.937 -7.915 1.00 0.14 N ATOM 988 CA VAL A 66 6.456 2.107 -6.649 1.00 72.03 C ATOM 989 C VAL A 66 5.229 3.021 -6.821 1.00 14.14 C ATOM 990 O VAL A 66 4.139 2.657 -6.364 1.00 31.01 O ATOM 991 CB VAL A 66 7.454 2.608 -5.580 1.00 3.14 C ATOM 992 CG1 VAL A 66 6.787 2.857 -4.223 1.00 72.11 C ATOM 993 CG2 VAL A 66 8.610 1.608 -5.375 1.00 53.33 C ATOM 0 H VAL A 66 8.139 2.235 -7.864 1.00 0.14 H new ATOM 0 HA VAL A 66 6.058 1.152 -6.307 1.00 72.03 H new ATOM 0 HB VAL A 66 7.840 3.553 -5.961 1.00 3.14 H new ATOM 0 HG11 VAL A 66 7.533 3.207 -3.510 1.00 72.11 H new ATOM 0 HG12 VAL A 66 6.008 3.611 -4.333 1.00 72.11 H new ATOM 0 HG13 VAL A 66 6.345 1.930 -3.859 1.00 72.11 H new ATOM 0 HG21 VAL A 66 9.293 1.992 -4.617 1.00 53.33 H new ATOM 0 HG22 VAL A 66 8.208 0.649 -5.049 1.00 53.33 H new ATOM 0 HG23 VAL A 66 9.148 1.476 -6.314 1.00 53.33 H new ATOM 1003 N ARG A 67 5.370 4.176 -7.492 1.00 34.42 N ATOM 1004 CA ARG A 67 4.263 5.118 -7.699 1.00 53.42 C ATOM 1005 C ARG A 67 3.143 4.417 -8.440 1.00 22.22 C ATOM 1006 O ARG A 67 2.008 4.381 -7.970 1.00 4.44 O ATOM 1007 CB ARG A 67 4.663 6.375 -8.506 1.00 2.13 C ATOM 1008 CG ARG A 67 5.930 7.091 -8.030 1.00 60.24 C ATOM 1009 CD ARG A 67 5.829 8.626 -8.043 1.00 62.13 C ATOM 1010 NE ARG A 67 6.276 9.184 -6.762 1.00 12.40 N ATOM 1011 CZ ARG A 67 5.551 9.868 -5.876 1.00 0.53 C ATOM 1012 NH1 ARG A 67 4.376 10.399 -6.187 1.00 33.33 N ATOM 1013 NH2 ARG A 67 6.026 10.007 -4.650 1.00 2.14 N ATOM 0 H ARG A 67 6.252 4.480 -7.904 1.00 34.42 H new ATOM 0 HA ARG A 67 3.952 5.450 -6.708 1.00 53.42 H new ATOM 0 HB2 ARG A 67 4.800 6.087 -9.548 1.00 2.13 H new ATOM 0 HB3 ARG A 67 3.834 7.083 -8.477 1.00 2.13 H new ATOM 0 HG2 ARG A 67 6.161 6.762 -7.017 1.00 60.24 H new ATOM 0 HG3 ARG A 67 6.765 6.788 -8.662 1.00 60.24 H new ATOM 0 HD2 ARG A 67 6.437 9.029 -8.853 1.00 62.13 H new ATOM 0 HD3 ARG A 67 4.799 8.926 -8.237 1.00 62.13 H new ATOM 0 HE ARG A 67 7.255 9.031 -6.521 1.00 12.40 H new ATOM 0 HH11 ARG A 67 4.000 10.290 -7.129 1.00 33.33 H new ATOM 0 HH12 ARG A 67 3.848 10.916 -5.484 1.00 33.33 H new ATOM 0 HH21 ARG A 67 6.926 9.596 -4.402 1.00 2.14 H new ATOM 0 HH22 ARG A 67 5.492 10.525 -3.952 1.00 2.14 H new ATOM 1027 N ALA A 68 3.494 3.870 -9.605 1.00 34.13 N ATOM 1028 CA ALA A 68 2.543 3.230 -10.504 1.00 21.33 C ATOM 1029 C ALA A 68 1.800 2.109 -9.783 1.00 71.44 C ATOM 1030 O ALA A 68 0.580 2.014 -9.914 1.00 44.51 O ATOM 1031 CB ALA A 68 3.252 2.702 -11.752 1.00 20.14 C ATOM 0 H ALA A 68 4.454 3.861 -9.950 1.00 34.13 H new ATOM 0 HA ALA A 68 1.812 3.974 -10.822 1.00 21.33 H new ATOM 0 HB1 ALA A 68 2.524 2.228 -12.411 1.00 20.14 H new ATOM 0 HB2 ALA A 68 3.731 3.529 -12.276 1.00 20.14 H new ATOM 0 HB3 ALA A 68 4.007 1.972 -11.460 1.00 20.14 H new ATOM 1037 N LYS A 69 2.514 1.301 -8.989 1.00 31.13 N ATOM 1038 CA LYS A 69 1.914 0.234 -8.202 1.00 43.32 C ATOM 1039 C LYS A 69 0.794 0.785 -7.331 1.00 55.13 C ATOM 1040 O LYS A 69 -0.331 0.288 -7.414 1.00 52.43 O ATOM 1041 CB LYS A 69 2.981 -0.484 -7.359 1.00 20.13 C ATOM 1042 CG LYS A 69 2.473 -1.864 -6.924 1.00 52.13 C ATOM 1043 CD LYS A 69 2.656 -2.858 -8.079 1.00 24.00 C ATOM 1044 CE LYS A 69 2.079 -4.240 -7.796 1.00 54.54 C ATOM 1045 NZ LYS A 69 0.617 -4.245 -7.584 1.00 1.31 N ATOM 0 H LYS A 69 3.525 1.375 -8.879 1.00 31.13 H new ATOM 0 HA LYS A 69 1.481 -0.501 -8.880 1.00 43.32 H new ATOM 0 HB2 LYS A 69 3.899 -0.592 -7.937 1.00 20.13 H new ATOM 0 HB3 LYS A 69 3.225 0.115 -6.482 1.00 20.13 H new ATOM 0 HG2 LYS A 69 3.020 -2.205 -6.045 1.00 52.13 H new ATOM 0 HG3 LYS A 69 1.422 -1.805 -6.642 1.00 52.13 H new ATOM 0 HD2 LYS A 69 2.183 -2.453 -8.974 1.00 24.00 H new ATOM 0 HD3 LYS A 69 3.719 -2.956 -8.297 1.00 24.00 H new ATOM 0 HE2 LYS A 69 2.318 -4.901 -8.629 1.00 54.54 H new ATOM 0 HE3 LYS A 69 2.566 -4.653 -6.912 1.00 54.54 H new ATOM 0 HZ1 LYS A 69 0.284 -5.225 -7.482 1.00 1.31 H new ATOM 0 HZ2 LYS A 69 0.389 -3.710 -6.722 1.00 1.31 H new ATOM 0 HZ3 LYS A 69 0.146 -3.803 -8.399 1.00 1.31 H new ATOM 1059 N TYR A 70 1.099 1.776 -6.492 1.00 11.11 N ATOM 1060 CA TYR A 70 0.161 2.347 -5.534 1.00 2.43 C ATOM 1061 C TYR A 70 -1.025 2.991 -6.256 1.00 23.03 C ATOM 1062 O TYR A 70 -2.175 2.717 -5.914 1.00 53.13 O ATOM 1063 CB TYR A 70 0.905 3.359 -4.653 1.00 71.22 C ATOM 1064 CG TYR A 70 0.070 3.942 -3.530 1.00 1.52 C ATOM 1065 CD1 TYR A 70 -0.367 3.120 -2.471 1.00 12.23 C ATOM 1066 CD2 TYR A 70 -0.256 5.314 -3.538 1.00 64.02 C ATOM 1067 CE1 TYR A 70 -1.144 3.675 -1.437 1.00 72.13 C ATOM 1068 CE2 TYR A 70 -1.028 5.873 -2.504 1.00 44.52 C ATOM 1069 CZ TYR A 70 -1.483 5.049 -1.447 1.00 31.43 C ATOM 1070 OH TYR A 70 -2.293 5.514 -0.457 1.00 60.32 O ATOM 0 H TYR A 70 2.022 2.209 -6.461 1.00 11.11 H new ATOM 0 HA TYR A 70 -0.244 1.559 -4.899 1.00 2.43 H new ATOM 0 HB2 TYR A 70 1.782 2.874 -4.224 1.00 71.22 H new ATOM 0 HB3 TYR A 70 1.267 4.173 -5.281 1.00 71.22 H new ATOM 0 HD1 TYR A 70 -0.107 2.072 -2.453 1.00 12.23 H new ATOM 0 HD2 TYR A 70 0.091 5.941 -4.346 1.00 64.02 H new ATOM 0 HE1 TYR A 70 -1.485 3.046 -0.628 1.00 72.13 H new ATOM 0 HE2 TYR A 70 -1.272 6.925 -2.516 1.00 44.52 H new ATOM 0 HH TYR A 70 -2.445 6.474 -0.583 1.00 60.32 H new ATOM 1080 N GLU A 71 -0.749 3.788 -7.289 1.00 13.33 N ATOM 1081 CA GLU A 71 -1.741 4.478 -8.102 1.00 35.31 C ATOM 1082 C GLU A 71 -2.719 3.488 -8.739 1.00 62.41 C ATOM 1083 O GLU A 71 -3.939 3.655 -8.624 1.00 64.04 O ATOM 1084 CB GLU A 71 -1.021 5.310 -9.178 1.00 34.21 C ATOM 1085 CG GLU A 71 -0.525 6.668 -8.659 1.00 42.12 C ATOM 1086 CD GLU A 71 -1.612 7.748 -8.720 1.00 12.53 C ATOM 1087 OE1 GLU A 71 -2.820 7.437 -8.538 1.00 51.32 O ATOM 1088 OE2 GLU A 71 -1.262 8.931 -8.942 1.00 14.31 O ATOM 0 H GLU A 71 0.207 3.975 -7.590 1.00 13.33 H new ATOM 0 HA GLU A 71 -2.325 5.142 -7.464 1.00 35.31 H new ATOM 0 HB2 GLU A 71 -0.173 4.742 -9.560 1.00 34.21 H new ATOM 0 HB3 GLU A 71 -1.699 5.474 -10.016 1.00 34.21 H new ATOM 0 HG2 GLU A 71 -0.183 6.558 -7.630 1.00 42.12 H new ATOM 0 HG3 GLU A 71 0.335 6.987 -9.248 1.00 42.12 H new ATOM 1095 N GLY A 72 -2.206 2.453 -9.409 1.00 4.41 N ATOM 1096 CA GLY A 72 -3.013 1.421 -10.045 1.00 51.40 C ATOM 1097 C GLY A 72 -3.882 0.680 -9.033 1.00 64.12 C ATOM 1098 O GLY A 72 -4.958 0.176 -9.378 1.00 3.12 O ATOM 0 H GLY A 72 -1.203 2.311 -9.524 1.00 4.41 H new ATOM 0 HA2 GLY A 72 -3.647 1.873 -10.807 1.00 51.40 H new ATOM 0 HA3 GLY A 72 -2.361 0.711 -10.554 1.00 51.40 H new ATOM 1102 N LEU A 73 -3.446 0.637 -7.772 1.00 42.21 N ATOM 1103 CA LEU A 73 -4.079 -0.144 -6.729 1.00 60.34 C ATOM 1104 C LEU A 73 -5.420 0.402 -6.286 1.00 43.20 C ATOM 1105 O LEU A 73 -6.155 -0.347 -5.655 1.00 53.14 O ATOM 1106 CB LEU A 73 -3.170 -0.235 -5.502 1.00 73.33 C ATOM 1107 CG LEU A 73 -3.198 -1.605 -4.806 1.00 22.15 C ATOM 1108 CD1 LEU A 73 -2.817 -2.796 -5.698 1.00 43.23 C ATOM 1109 CD2 LEU A 73 -2.077 -1.514 -3.777 1.00 0.53 C ATOM 0 H LEU A 73 -2.629 1.156 -7.451 1.00 42.21 H new ATOM 0 HA LEU A 73 -4.249 -1.127 -7.167 1.00 60.34 H new ATOM 0 HB2 LEU A 73 -2.146 -0.012 -5.803 1.00 73.33 H new ATOM 0 HB3 LEU A 73 -3.465 0.532 -4.786 1.00 73.33 H new ATOM 0 HG LEU A 73 -4.211 -1.783 -4.444 1.00 22.15 H new ATOM 0 HD11 LEU A 73 -2.867 -3.717 -5.117 1.00 43.23 H new ATOM 0 HD12 LEU A 73 -3.510 -2.859 -6.537 1.00 43.23 H new ATOM 0 HD13 LEU A 73 -1.803 -2.659 -6.075 1.00 43.23 H new ATOM 0 HD21 LEU A 73 -2.015 -2.451 -3.223 1.00 0.53 H new ATOM 0 HD22 LEU A 73 -1.131 -1.330 -4.285 1.00 0.53 H new ATOM 0 HD23 LEU A 73 -2.283 -0.697 -3.086 1.00 0.53 H new ATOM 1121 N MET A 74 -5.772 1.658 -6.579 1.00 33.43 N ATOM 1122 CA MET A 74 -7.081 2.184 -6.193 1.00 52.44 C ATOM 1123 C MET A 74 -8.188 1.302 -6.785 1.00 64.42 C ATOM 1124 O MET A 74 -9.113 0.889 -6.081 1.00 22.44 O ATOM 1125 CB MET A 74 -7.213 3.651 -6.627 1.00 2.51 C ATOM 1126 CG MET A 74 -8.571 4.228 -6.204 1.00 33.45 C ATOM 1127 SD MET A 74 -8.824 5.976 -6.598 1.00 62.42 S ATOM 1128 CE MET A 74 -7.722 6.748 -5.382 1.00 20.02 C ATOM 0 H MET A 74 -5.176 2.320 -7.076 1.00 33.43 H new ATOM 0 HA MET A 74 -7.183 2.160 -5.108 1.00 52.44 H new ATOM 0 HB2 MET A 74 -6.410 4.239 -6.184 1.00 2.51 H new ATOM 0 HB3 MET A 74 -7.103 3.726 -7.709 1.00 2.51 H new ATOM 0 HG2 MET A 74 -9.359 3.647 -6.682 1.00 33.45 H new ATOM 0 HG3 MET A 74 -8.685 4.095 -5.128 1.00 33.45 H new ATOM 0 HE1 MET A 74 -7.841 7.831 -5.419 1.00 20.02 H new ATOM 0 HE2 MET A 74 -7.973 6.389 -4.384 1.00 20.02 H new ATOM 0 HE3 MET A 74 -6.688 6.488 -5.611 1.00 20.02 H new ATOM 1138 N ALA A 75 -8.069 0.957 -8.070 1.00 53.33 N ATOM 1139 CA ALA A 75 -9.050 0.115 -8.735 1.00 61.31 C ATOM 1140 C ALA A 75 -9.031 -1.312 -8.173 1.00 72.32 C ATOM 1141 O ALA A 75 -10.091 -1.916 -8.011 1.00 43.12 O ATOM 1142 CB ALA A 75 -8.768 0.104 -10.235 1.00 73.22 C ATOM 0 H ALA A 75 -7.297 1.253 -8.667 1.00 53.33 H new ATOM 0 HA ALA A 75 -10.044 0.524 -8.554 1.00 61.31 H new ATOM 0 HB1 ALA A 75 -9.501 -0.526 -10.738 1.00 73.22 H new ATOM 0 HB2 ALA A 75 -8.834 1.120 -10.625 1.00 73.22 H new ATOM 0 HB3 ALA A 75 -7.767 -0.289 -10.414 1.00 73.22 H new ATOM 1148 N VAL A 76 -7.849 -1.861 -7.872 1.00 11.54 N ATOM 1149 CA VAL A 76 -7.721 -3.216 -7.331 1.00 11.54 C ATOM 1150 C VAL A 76 -8.323 -3.266 -5.924 1.00 21.14 C ATOM 1151 O VAL A 76 -9.014 -4.221 -5.575 1.00 3.52 O ATOM 1152 CB VAL A 76 -6.249 -3.682 -7.301 1.00 41.51 C ATOM 1153 CG1 VAL A 76 -6.179 -5.203 -7.104 1.00 55.10 C ATOM 1154 CG2 VAL A 76 -5.459 -3.330 -8.577 1.00 20.45 C ATOM 0 H VAL A 76 -6.958 -1.380 -7.996 1.00 11.54 H new ATOM 0 HA VAL A 76 -8.265 -3.896 -7.986 1.00 11.54 H new ATOM 0 HB VAL A 76 -5.791 -3.148 -6.468 1.00 41.51 H new ATOM 0 HG11 VAL A 76 -5.136 -5.520 -7.085 1.00 55.10 H new ATOM 0 HG12 VAL A 76 -6.657 -5.470 -6.162 1.00 55.10 H new ATOM 0 HG13 VAL A 76 -6.694 -5.700 -7.926 1.00 55.10 H new ATOM 0 HG21 VAL A 76 -4.434 -3.689 -8.481 1.00 20.45 H new ATOM 0 HG22 VAL A 76 -5.930 -3.803 -9.439 1.00 20.45 H new ATOM 0 HG23 VAL A 76 -5.453 -2.249 -8.715 1.00 20.45 H new ATOM 1164 N ALA A 77 -8.095 -2.222 -5.120 1.00 64.22 N ATOM 1165 CA ALA A 77 -8.597 -2.118 -3.765 1.00 31.24 C ATOM 1166 C ALA A 77 -10.125 -2.238 -3.788 1.00 43.44 C ATOM 1167 O ALA A 77 -10.713 -2.978 -3.006 1.00 34.25 O ATOM 1168 CB ALA A 77 -8.177 -0.788 -3.132 1.00 33.21 C ATOM 0 H ALA A 77 -7.544 -1.414 -5.409 1.00 64.22 H new ATOM 0 HA ALA A 77 -8.175 -2.923 -3.163 1.00 31.24 H new ATOM 0 HB1 ALA A 77 -8.565 -0.731 -2.115 1.00 33.21 H new ATOM 0 HB2 ALA A 77 -7.089 -0.723 -3.110 1.00 33.21 H new ATOM 0 HB3 ALA A 77 -8.578 0.038 -3.720 1.00 33.21 H new ATOM 1174 N LYS A 78 -10.763 -1.508 -4.713 1.00 22.31 N ATOM 1175 CA LYS A 78 -12.203 -1.560 -4.927 1.00 2.43 C ATOM 1176 C LYS A 78 -12.652 -2.923 -5.405 1.00 64.42 C ATOM 1177 O LYS A 78 -13.693 -3.369 -4.924 1.00 20.12 O ATOM 1178 CB LYS A 78 -12.655 -0.524 -5.957 1.00 41.11 C ATOM 1179 CG LYS A 78 -12.681 0.905 -5.403 1.00 4.14 C ATOM 1180 CD LYS A 78 -13.299 1.852 -6.438 1.00 33.22 C ATOM 1181 CE LYS A 78 -14.794 1.555 -6.628 1.00 32.42 C ATOM 1182 NZ LYS A 78 -15.403 2.437 -7.634 1.00 61.12 N ATOM 0 H LYS A 78 -10.282 -0.860 -5.337 1.00 22.31 H new ATOM 0 HA LYS A 78 -12.658 -1.344 -3.960 1.00 2.43 H new ATOM 0 HB2 LYS A 78 -11.987 -0.561 -6.818 1.00 41.11 H new ATOM 0 HB3 LYS A 78 -13.651 -0.787 -6.314 1.00 41.11 H new ATOM 0 HG2 LYS A 78 -13.257 0.936 -4.478 1.00 4.14 H new ATOM 0 HG3 LYS A 78 -11.669 1.229 -5.159 1.00 4.14 H new ATOM 0 HD2 LYS A 78 -13.167 2.885 -6.116 1.00 33.22 H new ATOM 0 HD3 LYS A 78 -12.779 1.746 -7.390 1.00 33.22 H new ATOM 0 HE2 LYS A 78 -14.922 0.516 -6.931 1.00 32.42 H new ATOM 0 HE3 LYS A 78 -15.312 1.676 -5.677 1.00 32.42 H new ATOM 0 HZ1 LYS A 78 -16.412 2.205 -7.733 1.00 61.12 H new ATOM 0 HZ2 LYS A 78 -15.303 3.428 -7.333 1.00 61.12 H new ATOM 0 HZ3 LYS A 78 -14.925 2.303 -8.548 1.00 61.12 H new ATOM 1196 N ALA A 79 -11.921 -3.545 -6.334 1.00 20.03 N ATOM 1197 CA ALA A 79 -12.256 -4.865 -6.838 1.00 14.25 C ATOM 1198 C ALA A 79 -12.381 -5.824 -5.662 1.00 61.42 C ATOM 1199 O ALA A 79 -13.413 -6.469 -5.524 1.00 15.41 O ATOM 1200 CB ALA A 79 -11.208 -5.348 -7.844 1.00 44.14 C ATOM 0 H ALA A 79 -11.083 -3.142 -6.753 1.00 20.03 H new ATOM 0 HA ALA A 79 -13.208 -4.823 -7.366 1.00 14.25 H new ATOM 0 HB1 ALA A 79 -11.481 -6.339 -8.207 1.00 44.14 H new ATOM 0 HB2 ALA A 79 -11.162 -4.654 -8.683 1.00 44.14 H new ATOM 0 HB3 ALA A 79 -10.233 -5.396 -7.359 1.00 44.14 H new ATOM 1206 N GLN A 80 -11.372 -5.855 -4.790 1.00 35.13 N ATOM 1207 CA GLN A 80 -11.363 -6.771 -3.660 1.00 75.01 C ATOM 1208 C GLN A 80 -12.508 -6.514 -2.681 1.00 13.23 C ATOM 1209 O GLN A 80 -13.003 -7.450 -2.086 1.00 2.55 O ATOM 1210 CB GLN A 80 -10.018 -6.708 -2.935 1.00 61.44 C ATOM 1211 CG GLN A 80 -8.900 -7.323 -3.801 1.00 55.52 C ATOM 1212 CD GLN A 80 -7.710 -7.810 -2.981 1.00 15.14 C ATOM 1213 OE1 GLN A 80 -7.723 -7.820 -1.752 1.00 1.45 O ATOM 1214 NE2 GLN A 80 -6.630 -8.200 -3.633 1.00 73.03 N ATOM 0 H GLN A 80 -10.551 -5.253 -4.849 1.00 35.13 H new ATOM 0 HA GLN A 80 -11.511 -7.773 -4.063 1.00 75.01 H new ATOM 0 HB2 GLN A 80 -9.774 -5.672 -2.701 1.00 61.44 H new ATOM 0 HB3 GLN A 80 -10.085 -7.242 -1.987 1.00 61.44 H new ATOM 0 HG2 GLN A 80 -9.307 -8.158 -4.371 1.00 55.52 H new ATOM 0 HG3 GLN A 80 -8.558 -6.581 -4.523 1.00 55.52 H new ATOM 0 HE21 GLN A 80 -6.619 -8.192 -4.653 1.00 73.03 H new ATOM 0 HE22 GLN A 80 -5.807 -8.510 -3.117 1.00 73.03 H new ATOM 1223 N LEU A 81 -12.966 -5.276 -2.506 1.00 72.11 N ATOM 1224 CA LEU A 81 -14.076 -4.947 -1.610 1.00 12.23 C ATOM 1225 C LEU A 81 -15.431 -5.306 -2.217 1.00 42.22 C ATOM 1226 O LEU A 81 -16.423 -5.369 -1.495 1.00 60.23 O ATOM 1227 CB LEU A 81 -14.092 -3.434 -1.363 1.00 20.35 C ATOM 1228 CG LEU A 81 -12.953 -2.869 -0.510 1.00 1.24 C ATOM 1229 CD1 LEU A 81 -12.866 -1.373 -0.795 1.00 72.20 C ATOM 1230 CD2 LEU A 81 -13.195 -3.039 0.986 1.00 53.44 C ATOM 0 H LEU A 81 -12.575 -4.465 -2.986 1.00 72.11 H new ATOM 0 HA LEU A 81 -13.925 -5.517 -0.693 1.00 12.23 H new ATOM 0 HB2 LEU A 81 -14.077 -2.930 -2.330 1.00 20.35 H new ATOM 0 HB3 LEU A 81 -15.037 -3.176 -0.884 1.00 20.35 H new ATOM 0 HG LEU A 81 -12.041 -3.408 -0.766 1.00 1.24 H new ATOM 0 HD11 LEU A 81 -12.062 -0.936 -0.202 1.00 72.20 H new ATOM 0 HD12 LEU A 81 -12.663 -1.216 -1.854 1.00 72.20 H new ATOM 0 HD13 LEU A 81 -13.811 -0.897 -0.532 1.00 72.20 H new ATOM 0 HD21 LEU A 81 -12.355 -2.620 1.540 1.00 53.44 H new ATOM 0 HD22 LEU A 81 -14.111 -2.520 1.268 1.00 53.44 H new ATOM 0 HD23 LEU A 81 -13.292 -4.099 1.221 1.00 53.44 H new ATOM 1242 N MET A 82 -15.527 -5.452 -3.537 1.00 75.23 N ATOM 1243 CA MET A 82 -16.687 -6.102 -4.140 1.00 32.43 C ATOM 1244 C MET A 82 -16.571 -7.605 -3.877 1.00 52.51 C ATOM 1245 O MET A 82 -17.486 -8.224 -3.336 1.00 74.13 O ATOM 1246 CB MET A 82 -16.748 -5.784 -5.642 1.00 24.31 C ATOM 1247 CG MET A 82 -16.820 -4.276 -5.921 1.00 31.31 C ATOM 1248 SD MET A 82 -18.460 -3.528 -5.738 1.00 55.41 S ATOM 1249 CE MET A 82 -18.542 -3.028 -3.998 1.00 0.14 C ATOM 0 H MET A 82 -14.823 -5.133 -4.203 1.00 75.23 H new ATOM 0 HA MET A 82 -17.614 -5.733 -3.702 1.00 32.43 H new ATOM 0 HB2 MET A 82 -15.869 -6.200 -6.134 1.00 24.31 H new ATOM 0 HB3 MET A 82 -17.619 -6.273 -6.079 1.00 24.31 H new ATOM 0 HG2 MET A 82 -16.130 -3.766 -5.249 1.00 31.31 H new ATOM 0 HG3 MET A 82 -16.468 -4.095 -6.937 1.00 31.31 H new ATOM 0 HE1 MET A 82 -19.185 -2.153 -3.901 1.00 0.14 H new ATOM 0 HE2 MET A 82 -18.950 -3.845 -3.403 1.00 0.14 H new ATOM 0 HE3 MET A 82 -17.541 -2.784 -3.642 1.00 0.14 H new ATOM 1259 N ASP A 83 -15.418 -8.157 -4.241 1.00 61.21 N ATOM 1260 CA ASP A 83 -15.130 -9.579 -4.359 1.00 12.12 C ATOM 1261 C ASP A 83 -14.901 -10.269 -3.004 1.00 21.15 C ATOM 1262 O ASP A 83 -14.828 -11.496 -2.951 1.00 34.04 O ATOM 1263 CB ASP A 83 -13.914 -9.689 -5.284 1.00 72.14 C ATOM 1264 CG ASP A 83 -13.542 -11.113 -5.676 1.00 12.51 C ATOM 1265 OD1 ASP A 83 -14.296 -11.778 -6.421 1.00 21.03 O ATOM 1266 OD2 ASP A 83 -12.422 -11.537 -5.317 1.00 42.43 O ATOM 0 H ASP A 83 -14.608 -7.584 -4.476 1.00 61.21 H new ATOM 0 HA ASP A 83 -15.990 -10.106 -4.773 1.00 12.12 H new ATOM 0 HB2 ASP A 83 -14.111 -9.116 -6.190 1.00 72.14 H new ATOM 0 HB3 ASP A 83 -13.058 -9.226 -4.794 1.00 72.14 H new ATOM 1271 N GLU A 84 -14.784 -9.513 -1.906 1.00 11.53 N ATOM 1272 CA GLU A 84 -14.606 -10.036 -0.545 1.00 12.23 C ATOM 1273 C GLU A 84 -15.819 -10.801 -0.007 1.00 43.52 C ATOM 1274 O GLU A 84 -15.686 -11.506 0.994 1.00 71.42 O ATOM 1275 CB GLU A 84 -14.222 -8.918 0.446 1.00 51.54 C ATOM 1276 CG GLU A 84 -15.352 -7.908 0.634 1.00 4.14 C ATOM 1277 CD GLU A 84 -15.237 -7.116 1.933 1.00 21.33 C ATOM 1278 OE1 GLU A 84 -15.558 -7.647 3.026 1.00 1.44 O ATOM 1279 OE2 GLU A 84 -14.859 -5.924 1.894 1.00 71.11 O ATOM 0 H GLU A 84 -14.811 -8.494 -1.940 1.00 11.53 H new ATOM 0 HA GLU A 84 -13.788 -10.752 -0.628 1.00 12.23 H new ATOM 0 HB2 GLU A 84 -13.966 -9.359 1.409 1.00 51.54 H new ATOM 0 HB3 GLU A 84 -13.332 -8.403 0.085 1.00 51.54 H new ATOM 0 HG2 GLU A 84 -15.356 -7.215 -0.208 1.00 4.14 H new ATOM 0 HG3 GLU A 84 -16.307 -8.433 0.619 1.00 4.14 H new ATOM 1286 N LEU A 85 -17.000 -10.555 -0.578 1.00 73.11 N ATOM 1287 CA LEU A 85 -18.272 -10.904 0.057 1.00 71.03 C ATOM 1288 C LEU A 85 -18.400 -12.404 0.257 1.00 60.04 C ATOM 1289 O LEU A 85 -17.869 -13.189 -0.554 1.00 75.12 O ATOM 1290 CB LEU A 85 -19.464 -10.316 -0.727 1.00 20.22 C ATOM 1291 CG LEU A 85 -20.490 -9.561 0.142 1.00 44.34 C ATOM 1292 CD1 LEU A 85 -21.193 -10.450 1.169 1.00 51.10 C ATOM 1293 CD2 LEU A 85 -19.873 -8.331 0.825 1.00 3.25 C ATOM 0 H LEU A 85 -17.101 -10.110 -1.490 1.00 73.11 H new ATOM 0 HA LEU A 85 -18.287 -10.453 1.049 1.00 71.03 H new ATOM 0 HB2 LEU A 85 -19.082 -9.637 -1.489 1.00 20.22 H new ATOM 0 HB3 LEU A 85 -19.974 -11.126 -1.249 1.00 20.22 H new ATOM 0 HG LEU A 85 -21.256 -9.220 -0.555 1.00 44.34 H new ATOM 0 HD11 LEU A 85 -21.900 -9.852 1.744 1.00 51.10 H new ATOM 0 HD12 LEU A 85 -21.727 -11.248 0.654 1.00 51.10 H new ATOM 0 HD13 LEU A 85 -20.453 -10.884 1.842 1.00 51.10 H new ATOM 0 HD21 LEU A 85 -20.632 -7.830 1.426 1.00 3.25 H new ATOM 0 HD22 LEU A 85 -19.050 -8.646 1.467 1.00 3.25 H new ATOM 0 HD23 LEU A 85 -19.499 -7.643 0.067 1.00 3.25 H new TER 1305 LEU A 85