USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 86 HIS : no HE2:sc= 0.1 K(o=0.091,f=-1.4) USER MOD Set 1.2: A 88 HIS : no HD1:sc=-0.00912 X(o=0.091,f=-0.26) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 56 SER OG : rot -130:sc= 1.03 USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 THR OG1 : rot 100:sc=-0.00339 USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0491 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.512 (180deg=0.175) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.01) USER MOD Single : A 29 SER OG : rot 71:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.06) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 1.2 (180deg=1.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 24:sc= -0.728 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.176 K(o=0.18,f=-4!) USER MOD Single : A 50 SER OG : rot -46:sc= 0.973 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.21) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 0.675 (180deg=0.294) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.195) USER MOD Single : A 78 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 80 SER OG : rot 79:sc= 1.17 USER MOD Single : A 87 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.6!) USER MOD Single : A 89 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.044) USER MOD Single : A 90 HIS : no HD1:sc=-0.00529 X(o=-0.0053,f=-0.0053) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.122 2.605 -13.166 1.00 31.10 N ATOM 2 CA ALA A 1 2.389 3.416 -11.958 1.00 51.23 C ATOM 3 C ALA A 1 3.542 2.823 -11.164 1.00 10.12 C ATOM 4 O ALA A 1 3.759 1.613 -11.189 1.00 40.30 O ATOM 5 CB ALA A 1 1.142 3.506 -11.094 1.00 54.10 C ATOM 0 H1 ALA A 1 1.096 2.542 -13.322 1.00 31.10 H new ATOM 0 H2 ALA A 1 2.571 3.052 -13.991 1.00 31.10 H new ATOM 0 H3 ALA A 1 2.512 1.650 -13.036 1.00 31.10 H new ATOM 0 HA ALA A 1 2.667 4.422 -12.272 1.00 51.23 H new ATOM 0 HB1 ALA A 1 1.355 4.106 -10.209 1.00 54.10 H new ATOM 0 HB2 ALA A 1 0.338 3.972 -11.663 1.00 54.10 H new ATOM 0 HB3 ALA A 1 0.838 2.505 -10.789 1.00 54.10 H new ATOM 13 N GLY A 2 4.280 3.680 -10.465 1.00 22.12 N ATOM 14 CA GLY A 2 5.394 3.221 -9.660 1.00 13.12 C ATOM 15 C GLY A 2 6.684 3.134 -10.452 1.00 12.00 C ATOM 16 O GLY A 2 6.673 2.803 -11.643 1.00 62.03 O ATOM 0 H GLY A 2 4.124 4.688 -10.443 1.00 22.12 H new ATOM 0 HA2 GLY A 2 5.533 3.899 -8.818 1.00 13.12 H new ATOM 0 HA3 GLY A 2 5.159 2.241 -9.245 1.00 13.12 H new ATOM 20 N GLU A 3 7.793 3.441 -9.802 1.00 52.50 N ATOM 21 CA GLU A 3 9.094 3.358 -10.441 1.00 52.04 C ATOM 22 C GLU A 3 9.937 2.291 -9.751 1.00 64.23 C ATOM 23 O GLU A 3 9.998 2.239 -8.523 1.00 61.24 O ATOM 24 CB GLU A 3 9.797 4.715 -10.395 1.00 23.41 C ATOM 25 CG GLU A 3 10.325 5.176 -11.746 1.00 55.35 C ATOM 26 CD GLU A 3 11.312 4.201 -12.355 1.00 64.13 C ATOM 27 OE1 GLU A 3 10.876 3.161 -12.893 1.00 72.04 O ATOM 28 OE2 GLU A 3 12.528 4.473 -12.308 1.00 53.43 O ATOM 0 H GLU A 3 7.818 3.751 -8.830 1.00 52.50 H new ATOM 0 HA GLU A 3 8.962 3.080 -11.487 1.00 52.04 H new ATOM 0 HB2 GLU A 3 9.101 5.462 -10.012 1.00 23.41 H new ATOM 0 HB3 GLU A 3 10.626 4.661 -9.690 1.00 23.41 H new ATOM 0 HG2 GLU A 3 9.488 5.313 -12.430 1.00 55.35 H new ATOM 0 HG3 GLU A 3 10.805 6.148 -11.631 1.00 55.35 H new ATOM 35 N ILE A 4 10.579 1.441 -10.540 1.00 73.23 N ATOM 36 CA ILE A 4 11.325 0.317 -9.994 1.00 40.11 C ATOM 37 C ILE A 4 12.772 0.716 -9.729 1.00 40.31 C ATOM 38 O ILE A 4 13.258 1.729 -10.237 1.00 72.13 O ATOM 39 CB ILE A 4 11.303 -0.902 -10.946 1.00 35.43 C ATOM 40 CG1 ILE A 4 10.002 -0.930 -11.755 1.00 63.13 C ATOM 41 CG2 ILE A 4 11.456 -2.196 -10.155 1.00 1.11 C ATOM 42 CD1 ILE A 4 9.938 -2.053 -12.768 1.00 44.10 C ATOM 0 H ILE A 4 10.598 1.508 -11.558 1.00 73.23 H new ATOM 0 HA ILE A 4 10.841 0.035 -9.059 1.00 40.11 H new ATOM 0 HB ILE A 4 12.141 -0.812 -11.638 1.00 35.43 H new ATOM 0 HG12 ILE A 4 9.160 -1.023 -11.069 1.00 63.13 H new ATOM 0 HG13 ILE A 4 9.887 0.022 -12.273 1.00 63.13 H new ATOM 0 HG21 ILE A 4 11.439 -3.045 -10.839 1.00 1.11 H new ATOM 0 HG22 ILE A 4 12.404 -2.183 -9.616 1.00 1.11 H new ATOM 0 HG23 ILE A 4 10.635 -2.287 -9.443 1.00 1.11 H new ATOM 0 HD11 ILE A 4 8.989 -2.008 -13.302 1.00 44.10 H new ATOM 0 HD12 ILE A 4 10.759 -1.950 -13.478 1.00 44.10 H new ATOM 0 HD13 ILE A 4 10.021 -3.011 -12.255 1.00 44.10 H new ATOM 54 N GLY A 5 13.453 -0.091 -8.941 1.00 3.21 N ATOM 55 CA GLY A 5 14.820 0.190 -8.570 1.00 31.11 C ATOM 56 C GLY A 5 15.096 -0.318 -7.184 1.00 54.11 C ATOM 57 O GLY A 5 15.725 0.354 -6.369 1.00 64.23 O ATOM 0 H GLY A 5 13.076 -0.952 -8.544 1.00 3.21 H new ATOM 0 HA2 GLY A 5 15.501 -0.280 -9.280 1.00 31.11 H new ATOM 0 HA3 GLY A 5 15.003 1.264 -8.615 1.00 31.11 H new ATOM 61 N PHE A 6 14.605 -1.517 -6.922 1.00 55.13 N ATOM 62 CA PHE A 6 14.657 -2.094 -5.590 1.00 15.45 C ATOM 63 C PHE A 6 15.632 -3.260 -5.539 1.00 51.12 C ATOM 64 O PHE A 6 16.174 -3.676 -6.565 1.00 14.01 O ATOM 65 CB PHE A 6 13.266 -2.568 -5.166 1.00 45.53 C ATOM 66 CG PHE A 6 12.215 -1.503 -5.271 1.00 31.31 C ATOM 67 CD1 PHE A 6 12.161 -0.468 -4.351 1.00 40.44 C ATOM 68 CD2 PHE A 6 11.285 -1.532 -6.298 1.00 73.01 C ATOM 69 CE1 PHE A 6 11.199 0.515 -4.452 1.00 2.32 C ATOM 70 CE2 PHE A 6 10.320 -0.551 -6.403 1.00 20.21 C ATOM 71 CZ PHE A 6 10.277 0.475 -5.479 1.00 73.31 C ATOM 0 H PHE A 6 14.162 -2.114 -7.621 1.00 55.13 H new ATOM 0 HA PHE A 6 15.002 -1.323 -4.902 1.00 15.45 H new ATOM 0 HB2 PHE A 6 12.975 -3.417 -5.785 1.00 45.53 H new ATOM 0 HB3 PHE A 6 13.310 -2.924 -4.137 1.00 45.53 H new ATOM 0 HD1 PHE A 6 12.880 -0.431 -3.546 1.00 40.44 H new ATOM 0 HD2 PHE A 6 11.316 -2.331 -7.024 1.00 73.01 H new ATOM 0 HE1 PHE A 6 11.167 1.316 -3.728 1.00 2.32 H new ATOM 0 HE2 PHE A 6 9.599 -0.585 -7.207 1.00 20.21 H new ATOM 0 HZ PHE A 6 9.524 1.245 -5.560 1.00 73.31 H new ATOM 81 N ILE A 7 15.842 -3.782 -4.340 1.00 74.32 N ATOM 82 CA ILE A 7 16.730 -4.915 -4.139 1.00 32.33 C ATOM 83 C ILE A 7 16.060 -6.199 -4.611 1.00 61.32 C ATOM 84 O ILE A 7 16.617 -6.950 -5.412 1.00 73.14 O ATOM 85 CB ILE A 7 17.119 -5.060 -2.653 1.00 12.12 C ATOM 86 CG1 ILE A 7 17.699 -3.742 -2.129 1.00 13.22 C ATOM 87 CG2 ILE A 7 18.118 -6.193 -2.470 1.00 55.41 C ATOM 88 CD1 ILE A 7 18.030 -3.764 -0.652 1.00 61.14 C ATOM 0 H ILE A 7 15.405 -3.435 -3.486 1.00 74.32 H new ATOM 0 HA ILE A 7 17.634 -4.737 -4.722 1.00 32.33 H new ATOM 0 HB ILE A 7 16.223 -5.300 -2.080 1.00 12.12 H new ATOM 0 HG12 ILE A 7 18.603 -3.505 -2.691 1.00 13.22 H new ATOM 0 HG13 ILE A 7 16.985 -2.941 -2.320 1.00 13.22 H new ATOM 0 HG21 ILE A 7 18.380 -6.280 -1.416 1.00 55.41 H new ATOM 0 HG22 ILE A 7 17.674 -7.128 -2.812 1.00 55.41 H new ATOM 0 HG23 ILE A 7 19.016 -5.984 -3.051 1.00 55.41 H new ATOM 0 HD11 ILE A 7 18.436 -2.797 -0.356 1.00 61.14 H new ATOM 0 HD12 ILE A 7 17.125 -3.969 -0.079 1.00 61.14 H new ATOM 0 HD13 ILE A 7 18.768 -4.542 -0.456 1.00 61.14 H new ATOM 100 N ILE A 8 14.854 -6.436 -4.117 1.00 31.21 N ATOM 101 CA ILE A 8 14.097 -7.621 -4.484 1.00 51.10 C ATOM 102 C ILE A 8 13.247 -7.348 -5.716 1.00 53.45 C ATOM 103 O ILE A 8 12.556 -6.331 -5.792 1.00 30.44 O ATOM 104 CB ILE A 8 13.186 -8.079 -3.322 1.00 1.43 C ATOM 105 CG1 ILE A 8 14.037 -8.452 -2.112 1.00 13.15 C ATOM 106 CG2 ILE A 8 12.316 -9.257 -3.742 1.00 71.45 C ATOM 107 CD1 ILE A 8 13.227 -8.842 -0.892 1.00 43.41 C ATOM 0 H ILE A 8 14.378 -5.820 -3.458 1.00 31.21 H new ATOM 0 HA ILE A 8 14.810 -8.415 -4.705 1.00 51.10 H new ATOM 0 HB ILE A 8 12.527 -7.253 -3.054 1.00 1.43 H new ATOM 0 HG12 ILE A 8 14.692 -9.280 -2.382 1.00 13.15 H new ATOM 0 HG13 ILE A 8 14.678 -7.608 -1.856 1.00 13.15 H new ATOM 0 HG21 ILE A 8 11.685 -9.559 -2.906 1.00 71.45 H new ATOM 0 HG22 ILE A 8 11.688 -8.964 -4.583 1.00 71.45 H new ATOM 0 HG23 ILE A 8 12.952 -10.092 -4.037 1.00 71.45 H new ATOM 0 HD11 ILE A 8 13.901 -9.094 -0.073 1.00 43.41 H new ATOM 0 HD12 ILE A 8 12.591 -8.008 -0.595 1.00 43.41 H new ATOM 0 HD13 ILE A 8 12.605 -9.706 -1.129 1.00 43.41 H new ATOM 119 N LYS A 9 13.325 -8.243 -6.686 1.00 54.41 N ATOM 120 CA LYS A 9 12.517 -8.147 -7.882 1.00 75.00 C ATOM 121 C LYS A 9 11.124 -8.697 -7.616 1.00 13.00 C ATOM 122 O LYS A 9 10.919 -9.491 -6.699 1.00 72.44 O ATOM 123 CB LYS A 9 13.200 -8.910 -9.019 1.00 30.23 C ATOM 124 CG LYS A 9 12.736 -8.531 -10.415 1.00 20.33 C ATOM 125 CD LYS A 9 11.521 -9.330 -10.867 1.00 35.14 C ATOM 126 CE LYS A 9 10.965 -8.809 -12.184 1.00 24.33 C ATOM 127 NZ LYS A 9 9.734 -9.533 -12.605 1.00 1.44 N ATOM 0 H LYS A 9 13.947 -9.051 -6.664 1.00 54.41 H new ATOM 0 HA LYS A 9 12.416 -7.102 -8.174 1.00 75.00 H new ATOM 0 HB2 LYS A 9 14.275 -8.745 -8.953 1.00 30.23 H new ATOM 0 HB3 LYS A 9 13.031 -9.977 -8.873 1.00 30.23 H new ATOM 0 HG2 LYS A 9 12.496 -7.468 -10.438 1.00 20.33 H new ATOM 0 HG3 LYS A 9 13.552 -8.688 -11.120 1.00 20.33 H new ATOM 0 HD2 LYS A 9 11.795 -10.379 -10.977 1.00 35.14 H new ATOM 0 HD3 LYS A 9 10.748 -9.282 -10.101 1.00 35.14 H new ATOM 0 HE2 LYS A 9 10.743 -7.746 -12.087 1.00 24.33 H new ATOM 0 HE3 LYS A 9 11.724 -8.906 -12.960 1.00 24.33 H new ATOM 0 HZ1 LYS A 9 9.209 -8.954 -13.291 1.00 1.44 H new ATOM 0 HZ2 LYS A 9 9.997 -10.438 -13.045 1.00 1.44 H new ATOM 0 HZ3 LYS A 9 9.136 -9.713 -11.774 1.00 1.44 H new ATOM 141 N GLU A 10 10.176 -8.237 -8.410 1.00 42.53 N ATOM 142 CA GLU A 10 8.821 -8.685 -8.374 1.00 34.41 C ATOM 143 C GLU A 10 8.727 -10.210 -8.507 1.00 62.33 C ATOM 144 O GLU A 10 9.668 -10.869 -8.962 1.00 71.14 O ATOM 145 CB GLU A 10 8.146 -7.970 -9.531 1.00 31.51 C ATOM 146 CG GLU A 10 6.684 -8.203 -9.640 1.00 3.42 C ATOM 147 CD GLU A 10 6.333 -9.221 -10.708 1.00 0.00 C ATOM 148 OE1 GLU A 10 7.265 -9.819 -11.292 1.00 22.13 O ATOM 149 OE2 GLU A 10 5.131 -9.421 -10.972 1.00 71.01 O ATOM 0 H GLU A 10 10.346 -7.520 -9.115 1.00 42.53 H new ATOM 0 HA GLU A 10 8.339 -8.457 -7.423 1.00 34.41 H new ATOM 0 HB2 GLU A 10 8.322 -6.899 -9.430 1.00 31.51 H new ATOM 0 HB3 GLU A 10 8.620 -8.285 -10.461 1.00 31.51 H new ATOM 0 HG2 GLU A 10 6.302 -8.545 -8.678 1.00 3.42 H new ATOM 0 HG3 GLU A 10 6.185 -7.260 -9.864 1.00 3.42 H new ATOM 156 N GLY A 11 7.587 -10.764 -8.141 1.00 40.15 N ATOM 157 CA GLY A 11 7.435 -12.199 -8.155 1.00 35.33 C ATOM 158 C GLY A 11 6.025 -12.641 -7.850 1.00 2.54 C ATOM 159 O GLY A 11 5.135 -11.815 -7.646 1.00 12.11 O ATOM 0 H GLY A 11 6.764 -10.246 -7.834 1.00 40.15 H new ATOM 0 HA2 GLY A 11 7.727 -12.581 -9.133 1.00 35.33 H new ATOM 0 HA3 GLY A 11 8.115 -12.639 -7.425 1.00 35.33 H new ATOM 163 N ASP A 12 5.841 -13.950 -7.800 1.00 2.12 N ATOM 164 CA ASP A 12 4.535 -14.559 -7.543 1.00 44.53 C ATOM 165 C ASP A 12 4.030 -14.190 -6.162 1.00 13.42 C ATOM 166 O ASP A 12 2.850 -13.904 -5.970 1.00 45.30 O ATOM 167 CB ASP A 12 4.623 -16.086 -7.649 1.00 11.33 C ATOM 168 CG ASP A 12 5.035 -16.563 -9.023 1.00 32.30 C ATOM 169 OD1 ASP A 12 6.251 -16.556 -9.321 1.00 3.30 O ATOM 170 OD2 ASP A 12 4.151 -16.967 -9.807 1.00 72.42 O ATOM 0 H ASP A 12 6.592 -14.627 -7.936 1.00 2.12 H new ATOM 0 HA ASP A 12 3.841 -14.180 -8.293 1.00 44.53 H new ATOM 0 HB2 ASP A 12 5.338 -16.455 -6.914 1.00 11.33 H new ATOM 0 HB3 ASP A 12 3.655 -16.518 -7.396 1.00 11.33 H new ATOM 175 N GLU A 13 4.941 -14.183 -5.208 1.00 3.51 N ATOM 176 CA GLU A 13 4.594 -13.922 -3.815 1.00 43.15 C ATOM 177 C GLU A 13 4.846 -12.459 -3.471 1.00 52.44 C ATOM 178 O GLU A 13 4.713 -12.041 -2.320 1.00 70.43 O ATOM 179 CB GLU A 13 5.410 -14.832 -2.895 1.00 2.42 C ATOM 180 CG GLU A 13 5.315 -16.302 -3.268 1.00 34.22 C ATOM 181 CD GLU A 13 6.133 -17.196 -2.362 1.00 34.14 C ATOM 182 OE1 GLU A 13 7.378 -17.148 -2.439 1.00 3.31 O ATOM 183 OE2 GLU A 13 5.533 -17.968 -1.589 1.00 42.54 O ATOM 0 H GLU A 13 5.933 -14.355 -5.369 1.00 3.51 H new ATOM 0 HA GLU A 13 3.534 -14.133 -3.671 1.00 43.15 H new ATOM 0 HB2 GLU A 13 6.455 -14.524 -2.924 1.00 2.42 H new ATOM 0 HB3 GLU A 13 5.067 -14.702 -1.869 1.00 2.42 H new ATOM 0 HG2 GLU A 13 4.271 -16.614 -3.231 1.00 34.22 H new ATOM 0 HG3 GLU A 13 5.650 -16.432 -4.297 1.00 34.22 H new ATOM 190 N VAL A 14 5.196 -11.688 -4.490 1.00 10.30 N ATOM 191 CA VAL A 14 5.538 -10.288 -4.317 1.00 75.22 C ATOM 192 C VAL A 14 4.457 -9.395 -4.920 1.00 32.41 C ATOM 193 O VAL A 14 3.906 -9.703 -5.978 1.00 10.52 O ATOM 194 CB VAL A 14 6.895 -9.967 -4.985 1.00 5.30 C ATOM 195 CG1 VAL A 14 7.305 -8.529 -4.720 1.00 4.34 C ATOM 196 CG2 VAL A 14 7.976 -10.928 -4.506 1.00 44.21 C ATOM 0 H VAL A 14 5.250 -12.015 -5.455 1.00 10.30 H new ATOM 0 HA VAL A 14 5.613 -10.094 -3.247 1.00 75.22 H new ATOM 0 HB VAL A 14 6.776 -10.094 -6.061 1.00 5.30 H new ATOM 0 HG11 VAL A 14 8.263 -8.329 -5.201 1.00 4.34 H new ATOM 0 HG12 VAL A 14 6.549 -7.855 -5.123 1.00 4.34 H new ATOM 0 HG13 VAL A 14 7.398 -8.369 -3.646 1.00 4.34 H new ATOM 0 HG21 VAL A 14 8.921 -10.682 -4.990 1.00 44.21 H new ATOM 0 HG22 VAL A 14 8.088 -10.840 -3.425 1.00 44.21 H new ATOM 0 HG23 VAL A 14 7.693 -11.950 -4.760 1.00 44.21 H new ATOM 206 N ALA A 15 4.136 -8.311 -4.231 1.00 72.14 N ATOM 207 CA ALA A 15 3.188 -7.329 -4.738 1.00 33.14 C ATOM 208 C ALA A 15 3.711 -5.921 -4.511 1.00 23.53 C ATOM 209 O ALA A 15 4.276 -5.624 -3.456 1.00 71.33 O ATOM 210 CB ALA A 15 1.830 -7.490 -4.073 1.00 34.55 C ATOM 0 H ALA A 15 4.521 -8.088 -3.313 1.00 72.14 H new ATOM 0 HA ALA A 15 3.071 -7.497 -5.809 1.00 33.14 H new ATOM 0 HB1 ALA A 15 1.140 -6.745 -4.469 1.00 34.55 H new ATOM 0 HB2 ALA A 15 1.442 -8.488 -4.276 1.00 34.55 H new ATOM 0 HB3 ALA A 15 1.933 -7.353 -2.997 1.00 34.55 H new ATOM 216 N ASP A 16 3.535 -5.064 -5.500 1.00 41.23 N ATOM 217 CA ASP A 16 3.944 -3.681 -5.378 1.00 15.04 C ATOM 218 C ASP A 16 2.754 -2.819 -5.004 1.00 44.11 C ATOM 219 O ASP A 16 1.647 -3.006 -5.515 1.00 13.43 O ATOM 220 CB ASP A 16 4.549 -3.163 -6.681 1.00 63.34 C ATOM 221 CG ASP A 16 5.801 -3.908 -7.092 1.00 74.43 C ATOM 222 OD1 ASP A 16 6.883 -3.588 -6.572 1.00 72.15 O ATOM 223 OD2 ASP A 16 5.707 -4.816 -7.947 1.00 74.53 O ATOM 0 H ASP A 16 3.111 -5.304 -6.396 1.00 41.23 H new ATOM 0 HA ASP A 16 4.703 -3.627 -4.597 1.00 15.04 H new ATOM 0 HB2 ASP A 16 3.808 -3.244 -7.476 1.00 63.34 H new ATOM 0 HB3 ASP A 16 4.783 -2.104 -6.570 1.00 63.34 H new ATOM 228 N VAL A 17 2.984 -1.894 -4.103 1.00 0.31 N ATOM 229 CA VAL A 17 1.965 -0.942 -3.700 1.00 65.02 C ATOM 230 C VAL A 17 2.482 0.463 -3.925 1.00 71.14 C ATOM 231 O VAL A 17 3.583 0.808 -3.496 1.00 15.21 O ATOM 232 CB VAL A 17 1.573 -1.088 -2.216 1.00 43.05 C ATOM 233 CG1 VAL A 17 0.328 -0.269 -1.899 1.00 20.43 C ATOM 234 CG2 VAL A 17 1.367 -2.548 -1.840 1.00 73.05 C ATOM 0 H VAL A 17 3.878 -1.776 -3.627 1.00 0.31 H new ATOM 0 HA VAL A 17 1.079 -1.141 -4.302 1.00 65.02 H new ATOM 0 HB VAL A 17 2.398 -0.702 -1.617 1.00 43.05 H new ATOM 0 HG11 VAL A 17 0.072 -0.389 -0.846 1.00 20.43 H new ATOM 0 HG12 VAL A 17 0.522 0.783 -2.108 1.00 20.43 H new ATOM 0 HG13 VAL A 17 -0.502 -0.615 -2.516 1.00 20.43 H new ATOM 0 HG21 VAL A 17 1.092 -2.617 -0.788 1.00 73.05 H new ATOM 0 HG22 VAL A 17 0.571 -2.973 -2.452 1.00 73.05 H new ATOM 0 HG23 VAL A 17 2.290 -3.101 -2.011 1.00 73.05 H new ATOM 244 N THR A 18 1.692 1.262 -4.598 1.00 70.04 N ATOM 245 CA THR A 18 2.071 2.622 -4.910 1.00 23.20 C ATOM 246 C THR A 18 1.138 3.599 -4.210 1.00 72.32 C ATOM 247 O THR A 18 -0.059 3.649 -4.496 1.00 64.12 O ATOM 248 CB THR A 18 2.045 2.868 -6.430 1.00 1.10 C ATOM 249 OG1 THR A 18 2.911 1.934 -7.089 1.00 62.33 O ATOM 250 CG2 THR A 18 2.475 4.292 -6.766 1.00 54.24 C ATOM 0 H THR A 18 0.772 0.992 -4.945 1.00 70.04 H new ATOM 0 HA THR A 18 3.089 2.780 -4.555 1.00 23.20 H new ATOM 0 HB THR A 18 1.022 2.729 -6.778 1.00 1.10 H new ATOM 0 HG1 THR A 18 2.889 2.094 -8.056 1.00 62.33 H new ATOM 0 HG21 THR A 18 2.447 4.435 -7.846 1.00 54.24 H new ATOM 0 HG22 THR A 18 1.797 4.999 -6.288 1.00 54.24 H new ATOM 0 HG23 THR A 18 3.489 4.461 -6.404 1.00 54.24 H new ATOM 258 N ILE A 19 1.688 4.358 -3.277 1.00 33.11 N ATOM 259 CA ILE A 19 0.907 5.342 -2.549 1.00 4.02 C ATOM 260 C ILE A 19 1.118 6.704 -3.178 1.00 31.34 C ATOM 261 O ILE A 19 2.247 7.082 -3.486 1.00 22.53 O ATOM 262 CB ILE A 19 1.304 5.417 -1.062 1.00 43.11 C ATOM 263 CG1 ILE A 19 1.479 4.013 -0.474 1.00 23.21 C ATOM 264 CG2 ILE A 19 0.259 6.196 -0.271 1.00 73.24 C ATOM 265 CD1 ILE A 19 1.993 4.013 0.951 1.00 43.43 C ATOM 0 H ILE A 19 2.670 4.311 -3.007 1.00 33.11 H new ATOM 0 HA ILE A 19 -0.139 5.040 -2.603 1.00 4.02 H new ATOM 0 HB ILE A 19 2.258 5.940 -0.990 1.00 43.11 H new ATOM 0 HG12 ILE A 19 0.522 3.493 -0.506 1.00 23.21 H new ATOM 0 HG13 ILE A 19 2.170 3.449 -1.101 1.00 23.21 H new ATOM 0 HG21 ILE A 19 0.554 6.240 0.777 1.00 73.24 H new ATOM 0 HG22 ILE A 19 0.181 7.208 -0.669 1.00 73.24 H new ATOM 0 HG23 ILE A 19 -0.707 5.698 -0.355 1.00 73.24 H new ATOM 0 HD11 ILE A 19 2.092 2.986 1.302 1.00 43.43 H new ATOM 0 HD12 ILE A 19 2.965 4.505 0.987 1.00 43.43 H new ATOM 0 HD13 ILE A 19 1.292 4.549 1.591 1.00 43.43 H new ATOM 277 N PHE A 20 0.037 7.424 -3.369 1.00 12.12 N ATOM 278 CA PHE A 20 0.092 8.723 -4.003 1.00 24.14 C ATOM 279 C PHE A 20 -0.857 9.693 -3.319 1.00 62.22 C ATOM 280 O PHE A 20 -1.959 9.317 -2.914 1.00 21.10 O ATOM 281 CB PHE A 20 -0.230 8.615 -5.497 1.00 73.12 C ATOM 282 CG PHE A 20 -1.490 7.854 -5.815 1.00 0.15 C ATOM 283 CD1 PHE A 20 -1.458 6.480 -5.999 1.00 75.41 C ATOM 284 CD2 PHE A 20 -2.703 8.513 -5.934 1.00 41.51 C ATOM 285 CE1 PHE A 20 -2.611 5.779 -6.290 1.00 14.02 C ATOM 286 CE2 PHE A 20 -3.859 7.817 -6.227 1.00 0.43 C ATOM 287 CZ PHE A 20 -3.813 6.448 -6.404 1.00 23.03 C ATOM 0 H PHE A 20 -0.900 7.130 -3.092 1.00 12.12 H new ATOM 0 HA PHE A 20 1.107 9.107 -3.902 1.00 24.14 H new ATOM 0 HB2 PHE A 20 -0.315 9.620 -5.910 1.00 73.12 H new ATOM 0 HB3 PHE A 20 0.607 8.132 -6.001 1.00 73.12 H new ATOM 0 HD1 PHE A 20 -0.520 5.952 -5.914 1.00 75.41 H new ATOM 0 HD2 PHE A 20 -2.745 9.583 -5.796 1.00 41.51 H new ATOM 0 HE1 PHE A 20 -2.573 4.709 -6.428 1.00 14.02 H new ATOM 0 HE2 PHE A 20 -4.798 8.343 -6.318 1.00 0.43 H new ATOM 0 HZ PHE A 20 -4.716 5.902 -6.631 1.00 23.03 H new ATOM 297 N ALA A 21 -0.408 10.928 -3.184 1.00 21.51 N ATOM 298 CA ALA A 21 -1.195 11.981 -2.558 1.00 13.54 C ATOM 299 C ALA A 21 -0.554 13.335 -2.828 1.00 72.41 C ATOM 300 O ALA A 21 0.384 13.435 -3.613 1.00 71.01 O ATOM 301 CB ALA A 21 -1.318 11.738 -1.060 1.00 41.33 C ATOM 0 H ALA A 21 0.512 11.231 -3.504 1.00 21.51 H new ATOM 0 HA ALA A 21 -2.197 11.973 -2.986 1.00 13.54 H new ATOM 0 HB1 ALA A 21 -1.909 12.535 -0.609 1.00 41.33 H new ATOM 0 HB2 ALA A 21 -1.808 10.780 -0.886 1.00 41.33 H new ATOM 0 HB3 ALA A 21 -0.325 11.725 -0.611 1.00 41.33 H new ATOM 307 N GLU A 22 -1.056 14.372 -2.175 1.00 13.43 N ATOM 308 CA GLU A 22 -0.541 15.718 -2.372 1.00 14.32 C ATOM 309 C GLU A 22 0.510 16.069 -1.319 1.00 50.13 C ATOM 310 O GLU A 22 1.251 17.042 -1.474 1.00 63.41 O ATOM 311 CB GLU A 22 -1.693 16.721 -2.317 1.00 50.32 C ATOM 312 CG GLU A 22 -2.640 16.632 -3.502 1.00 33.20 C ATOM 313 CD GLU A 22 -2.117 17.363 -4.722 1.00 63.23 C ATOM 314 OE1 GLU A 22 -2.361 18.584 -4.835 1.00 13.02 O ATOM 315 OE2 GLU A 22 -1.464 16.729 -5.579 1.00 32.42 O ATOM 0 H GLU A 22 -1.821 14.307 -1.503 1.00 13.43 H new ATOM 0 HA GLU A 22 -0.063 15.763 -3.351 1.00 14.32 H new ATOM 0 HB2 GLU A 22 -2.258 16.561 -1.399 1.00 50.32 H new ATOM 0 HB3 GLU A 22 -1.282 17.729 -2.267 1.00 50.32 H new ATOM 0 HG2 GLU A 22 -2.804 15.584 -3.753 1.00 33.20 H new ATOM 0 HG3 GLU A 22 -3.608 17.048 -3.221 1.00 33.20 H new ATOM 322 N THR A 23 0.568 15.282 -0.249 1.00 21.10 N ATOM 323 CA THR A 23 1.499 15.545 0.838 1.00 71.04 C ATOM 324 C THR A 23 2.292 14.296 1.211 1.00 31.42 C ATOM 325 O THR A 23 1.765 13.183 1.183 1.00 74.32 O ATOM 326 CB THR A 23 0.757 16.062 2.087 1.00 60.14 C ATOM 327 OG1 THR A 23 -0.387 15.236 2.360 1.00 42.44 O ATOM 328 CG2 THR A 23 0.317 17.507 1.907 1.00 5.14 C ATOM 0 H THR A 23 -0.019 14.459 -0.113 1.00 21.10 H new ATOM 0 HA THR A 23 2.191 16.309 0.484 1.00 71.04 H new ATOM 0 HB THR A 23 1.447 16.016 2.930 1.00 60.14 H new ATOM 0 HG1 THR A 23 -0.850 15.571 3.156 1.00 42.44 H new ATOM 0 HG21 THR A 23 -0.203 17.843 2.804 1.00 5.14 H new ATOM 0 HG22 THR A 23 1.192 18.135 1.738 1.00 5.14 H new ATOM 0 HG23 THR A 23 -0.353 17.579 1.050 1.00 5.14 H new ATOM 336 N LYS A 24 3.559 14.497 1.565 1.00 74.21 N ATOM 337 CA LYS A 24 4.411 13.422 2.065 1.00 12.10 C ATOM 338 C LYS A 24 3.796 12.838 3.326 1.00 31.11 C ATOM 339 O LYS A 24 3.816 11.630 3.550 1.00 14.43 O ATOM 340 CB LYS A 24 5.801 13.971 2.392 1.00 64.41 C ATOM 341 CG LYS A 24 6.754 12.931 2.956 1.00 14.21 C ATOM 342 CD LYS A 24 7.890 13.583 3.730 1.00 73.14 C ATOM 343 CE LYS A 24 8.829 12.546 4.319 1.00 32.21 C ATOM 344 NZ LYS A 24 9.829 13.154 5.233 1.00 14.21 N ATOM 0 H LYS A 24 4.022 15.405 1.514 1.00 74.21 H new ATOM 0 HA LYS A 24 4.498 12.648 1.302 1.00 12.10 H new ATOM 0 HB2 LYS A 24 6.236 14.396 1.487 1.00 64.41 H new ATOM 0 HB3 LYS A 24 5.700 14.785 3.110 1.00 64.41 H new ATOM 0 HG2 LYS A 24 6.208 12.252 3.611 1.00 14.21 H new ATOM 0 HG3 LYS A 24 7.163 12.331 2.143 1.00 14.21 H new ATOM 0 HD2 LYS A 24 8.448 14.247 3.069 1.00 73.14 H new ATOM 0 HD3 LYS A 24 7.480 14.200 4.530 1.00 73.14 H new ATOM 0 HE2 LYS A 24 8.249 11.799 4.862 1.00 32.21 H new ATOM 0 HE3 LYS A 24 9.345 12.025 3.513 1.00 32.21 H new ATOM 0 HZ1 LYS A 24 10.612 12.486 5.385 1.00 14.21 H new ATOM 0 HZ2 LYS A 24 10.198 14.030 4.811 1.00 14.21 H new ATOM 0 HZ3 LYS A 24 9.379 13.372 6.145 1.00 14.21 H new ATOM 358 N ASP A 25 3.246 13.731 4.134 1.00 45.32 N ATOM 359 CA ASP A 25 2.566 13.368 5.371 1.00 12.42 C ATOM 360 C ASP A 25 1.499 12.303 5.131 1.00 70.21 C ATOM 361 O ASP A 25 1.407 11.325 5.877 1.00 24.34 O ATOM 362 CB ASP A 25 1.922 14.612 5.977 1.00 33.23 C ATOM 363 CG ASP A 25 1.092 14.308 7.204 1.00 70.12 C ATOM 364 OD1 ASP A 25 1.649 14.299 8.320 1.00 23.33 O ATOM 365 OD2 ASP A 25 -0.132 14.108 7.056 1.00 64.53 O ATOM 0 H ASP A 25 3.258 14.734 3.950 1.00 45.32 H new ATOM 0 HA ASP A 25 3.304 12.955 6.058 1.00 12.42 H new ATOM 0 HB2 ASP A 25 2.702 15.327 6.240 1.00 33.23 H new ATOM 0 HB3 ASP A 25 1.291 15.090 5.227 1.00 33.23 H new ATOM 370 N ALA A 26 0.701 12.491 4.084 1.00 3.31 N ATOM 371 CA ALA A 26 -0.344 11.531 3.748 1.00 55.25 C ATOM 372 C ALA A 26 0.273 10.195 3.360 1.00 40.41 C ATOM 373 O ALA A 26 -0.179 9.142 3.807 1.00 13.14 O ATOM 374 CB ALA A 26 -1.222 12.064 2.626 1.00 52.34 C ATOM 0 H ALA A 26 0.757 13.294 3.458 1.00 3.31 H new ATOM 0 HA ALA A 26 -0.972 11.380 4.626 1.00 55.25 H new ATOM 0 HB1 ALA A 26 -1.995 11.333 2.390 1.00 52.34 H new ATOM 0 HB2 ALA A 26 -1.689 12.997 2.941 1.00 52.34 H new ATOM 0 HB3 ALA A 26 -0.612 12.245 1.741 1.00 52.34 H new ATOM 380 N LEU A 27 1.318 10.252 2.542 1.00 50.31 N ATOM 381 CA LEU A 27 2.069 9.064 2.155 1.00 13.20 C ATOM 382 C LEU A 27 2.554 8.310 3.386 1.00 62.43 C ATOM 383 O LEU A 27 2.340 7.109 3.509 1.00 50.13 O ATOM 384 CB LEU A 27 3.273 9.463 1.291 1.00 1.12 C ATOM 385 CG LEU A 27 3.036 9.518 -0.221 1.00 15.13 C ATOM 386 CD1 LEU A 27 1.950 10.518 -0.573 1.00 31.45 C ATOM 387 CD2 LEU A 27 4.330 9.873 -0.936 1.00 74.52 C ATOM 0 H LEU A 27 1.667 11.118 2.131 1.00 50.31 H new ATOM 0 HA LEU A 27 1.409 8.413 1.581 1.00 13.20 H new ATOM 0 HB2 LEU A 27 3.619 10.443 1.619 1.00 1.12 H new ATOM 0 HB3 LEU A 27 4.082 8.758 1.485 1.00 1.12 H new ATOM 0 HG LEU A 27 2.702 8.533 -0.549 1.00 15.13 H new ATOM 0 HD11 LEU A 27 1.806 10.533 -1.653 1.00 31.45 H new ATOM 0 HD12 LEU A 27 1.018 10.230 -0.087 1.00 31.45 H new ATOM 0 HD13 LEU A 27 2.245 11.510 -0.232 1.00 31.45 H new ATOM 0 HD21 LEU A 27 4.153 9.910 -2.011 1.00 74.52 H new ATOM 0 HD22 LEU A 27 4.681 10.846 -0.592 1.00 74.52 H new ATOM 0 HD23 LEU A 27 5.085 9.118 -0.718 1.00 74.52 H new ATOM 399 N GLU A 28 3.193 9.034 4.299 1.00 64.12 N ATOM 400 CA GLU A 28 3.724 8.456 5.518 1.00 30.42 C ATOM 401 C GLU A 28 2.618 7.858 6.382 1.00 50.24 C ATOM 402 O GLU A 28 2.775 6.770 6.937 1.00 65.14 O ATOM 403 CB GLU A 28 4.484 9.524 6.296 1.00 34.50 C ATOM 404 CG GLU A 28 5.732 10.014 5.583 1.00 22.22 C ATOM 405 CD GLU A 28 6.592 10.899 6.457 1.00 43.00 C ATOM 406 OE1 GLU A 28 6.198 12.054 6.716 1.00 5.52 O ATOM 407 OE2 GLU A 28 7.669 10.441 6.891 1.00 75.30 O ATOM 0 H GLU A 28 3.355 10.037 4.210 1.00 64.12 H new ATOM 0 HA GLU A 28 4.402 7.647 5.248 1.00 30.42 H new ATOM 0 HB2 GLU A 28 3.822 10.371 6.478 1.00 34.50 H new ATOM 0 HB3 GLU A 28 4.764 9.123 7.270 1.00 34.50 H new ATOM 0 HG2 GLU A 28 6.318 9.156 5.253 1.00 22.22 H new ATOM 0 HG3 GLU A 28 5.442 10.565 4.688 1.00 22.22 H new ATOM 414 N SER A 29 1.495 8.563 6.479 1.00 72.20 N ATOM 415 CA SER A 29 0.372 8.107 7.283 1.00 31.33 C ATOM 416 C SER A 29 -0.203 6.805 6.731 1.00 31.44 C ATOM 417 O SER A 29 -0.469 5.861 7.477 1.00 13.54 O ATOM 418 CB SER A 29 -0.711 9.184 7.322 1.00 71.13 C ATOM 419 OG SER A 29 -0.214 10.387 7.887 1.00 65.30 O ATOM 0 H SER A 29 1.341 9.455 6.008 1.00 72.20 H new ATOM 0 HA SER A 29 0.729 7.918 8.295 1.00 31.33 H new ATOM 0 HB2 SER A 29 -1.074 9.376 6.312 1.00 71.13 H new ATOM 0 HB3 SER A 29 -1.561 8.829 7.905 1.00 71.13 H new ATOM 0 HG SER A 29 0.416 10.806 7.264 1.00 65.30 H new ATOM 425 N GLU A 30 -0.381 6.758 5.421 1.00 50.13 N ATOM 426 CA GLU A 30 -0.924 5.598 4.770 1.00 42.01 C ATOM 427 C GLU A 30 0.084 4.455 4.754 1.00 20.41 C ATOM 428 O GLU A 30 -0.280 3.294 4.934 1.00 72.23 O ATOM 429 CB GLU A 30 -1.333 5.989 3.362 1.00 74.20 C ATOM 430 CG GLU A 30 -2.521 6.938 3.331 1.00 31.20 C ATOM 431 CD GLU A 30 -3.595 6.562 4.336 1.00 63.54 C ATOM 432 OE1 GLU A 30 -4.409 5.666 4.041 1.00 45.52 O ATOM 433 OE2 GLU A 30 -3.628 7.167 5.433 1.00 73.15 O ATOM 0 H GLU A 30 -0.151 7.525 4.789 1.00 50.13 H new ATOM 0 HA GLU A 30 -1.795 5.241 5.319 1.00 42.01 H new ATOM 0 HB2 GLU A 30 -0.487 6.459 2.861 1.00 74.20 H new ATOM 0 HB3 GLU A 30 -1.579 5.089 2.798 1.00 74.20 H new ATOM 0 HG2 GLU A 30 -2.177 7.952 3.535 1.00 31.20 H new ATOM 0 HG3 GLU A 30 -2.951 6.943 2.330 1.00 31.20 H new ATOM 440 N LEU A 31 1.354 4.797 4.559 1.00 44.54 N ATOM 441 CA LEU A 31 2.434 3.818 4.590 1.00 22.02 C ATOM 442 C LEU A 31 2.436 3.093 5.922 1.00 21.31 C ATOM 443 O LEU A 31 2.490 1.866 5.978 1.00 51.32 O ATOM 444 CB LEU A 31 3.781 4.509 4.389 1.00 10.11 C ATOM 445 CG LEU A 31 4.982 3.572 4.237 1.00 55.14 C ATOM 446 CD1 LEU A 31 4.852 2.726 2.977 1.00 41.23 C ATOM 447 CD2 LEU A 31 6.277 4.368 4.217 1.00 1.50 C ATOM 0 H LEU A 31 1.661 5.752 4.377 1.00 44.54 H new ATOM 0 HA LEU A 31 2.276 3.101 3.785 1.00 22.02 H new ATOM 0 HB2 LEU A 31 3.718 5.139 3.502 1.00 10.11 H new ATOM 0 HB3 LEU A 31 3.962 5.170 5.237 1.00 10.11 H new ATOM 0 HG LEU A 31 5.003 2.900 5.095 1.00 55.14 H new ATOM 0 HD11 LEU A 31 5.717 2.068 2.890 1.00 41.23 H new ATOM 0 HD12 LEU A 31 3.944 2.126 3.034 1.00 41.23 H new ATOM 0 HD13 LEU A 31 4.803 3.378 2.105 1.00 41.23 H new ATOM 0 HD21 LEU A 31 7.121 3.687 4.108 1.00 1.50 H new ATOM 0 HD22 LEU A 31 6.263 5.065 3.379 1.00 1.50 H new ATOM 0 HD23 LEU A 31 6.377 4.924 5.149 1.00 1.50 H new ATOM 459 N ALA A 32 2.365 3.877 6.990 1.00 21.15 N ATOM 460 CA ALA A 32 2.316 3.340 8.343 1.00 33.33 C ATOM 461 C ALA A 32 1.183 2.327 8.492 1.00 0.12 C ATOM 462 O ALA A 32 1.376 1.255 9.058 1.00 61.34 O ATOM 463 CB ALA A 32 2.164 4.466 9.354 1.00 31.42 C ATOM 0 H ALA A 32 2.340 4.896 6.944 1.00 21.15 H new ATOM 0 HA ALA A 32 3.255 2.822 8.537 1.00 33.33 H new ATOM 0 HB1 ALA A 32 2.129 4.049 10.360 1.00 31.42 H new ATOM 0 HB2 ALA A 32 3.012 5.145 9.272 1.00 31.42 H new ATOM 0 HB3 ALA A 32 1.242 5.012 9.155 1.00 31.42 H new ATOM 469 N LYS A 33 0.010 2.657 7.955 1.00 11.41 N ATOM 470 CA LYS A 33 -1.140 1.766 8.026 1.00 51.21 C ATOM 471 C LYS A 33 -0.878 0.477 7.256 1.00 43.42 C ATOM 472 O LYS A 33 -1.227 -0.608 7.711 1.00 31.33 O ATOM 473 CB LYS A 33 -2.380 2.451 7.455 1.00 32.32 C ATOM 474 CG LYS A 33 -2.817 3.700 8.201 1.00 23.30 C ATOM 475 CD LYS A 33 -4.120 4.239 7.628 1.00 13.11 C ATOM 476 CE LYS A 33 -4.571 5.510 8.329 1.00 43.01 C ATOM 477 NZ LYS A 33 -3.689 6.667 8.025 1.00 31.32 N ATOM 0 H LYS A 33 -0.166 3.535 7.467 1.00 11.41 H new ATOM 0 HA LYS A 33 -1.309 1.523 9.075 1.00 51.21 H new ATOM 0 HB2 LYS A 33 -2.186 2.715 6.415 1.00 32.32 H new ATOM 0 HB3 LYS A 33 -3.204 1.738 7.454 1.00 32.32 H new ATOM 0 HG2 LYS A 33 -2.946 3.472 9.259 1.00 23.30 H new ATOM 0 HG3 LYS A 33 -2.040 4.462 8.132 1.00 23.30 H new ATOM 0 HD2 LYS A 33 -3.993 4.438 6.564 1.00 13.11 H new ATOM 0 HD3 LYS A 33 -4.897 3.480 7.719 1.00 13.11 H new ATOM 0 HE2 LYS A 33 -5.592 5.745 8.028 1.00 43.01 H new ATOM 0 HE3 LYS A 33 -4.587 5.342 9.406 1.00 43.01 H new ATOM 0 HZ1 LYS A 33 -4.218 7.552 8.162 1.00 31.32 H new ATOM 0 HZ2 LYS A 33 -2.866 6.653 8.661 1.00 31.32 H new ATOM 0 HZ3 LYS A 33 -3.365 6.607 7.039 1.00 31.32 H new ATOM 491 N TYR A 34 -0.264 0.606 6.090 1.00 14.45 N ATOM 492 CA TYR A 34 0.019 -0.551 5.249 1.00 22.14 C ATOM 493 C TYR A 34 1.069 -1.443 5.892 1.00 63.45 C ATOM 494 O TYR A 34 0.996 -2.664 5.793 1.00 22.05 O ATOM 495 CB TYR A 34 0.470 -0.114 3.855 1.00 33.45 C ATOM 496 CG TYR A 34 -0.594 0.636 3.083 1.00 35.13 C ATOM 497 CD1 TYR A 34 -1.946 0.372 3.279 1.00 21.43 C ATOM 498 CD2 TYR A 34 -0.248 1.618 2.164 1.00 51.32 C ATOM 499 CE1 TYR A 34 -2.916 1.060 2.579 1.00 71.33 C ATOM 500 CE2 TYR A 34 -1.213 2.311 1.461 1.00 71.32 C ATOM 501 CZ TYR A 34 -2.545 2.030 1.673 1.00 54.43 C ATOM 502 OH TYR A 34 -3.510 2.721 0.975 1.00 45.31 O ATOM 0 H TYR A 34 0.048 1.497 5.704 1.00 14.45 H new ATOM 0 HA TYR A 34 -0.902 -1.124 5.147 1.00 22.14 H new ATOM 0 HB2 TYR A 34 1.353 0.518 3.949 1.00 33.45 H new ATOM 0 HB3 TYR A 34 0.768 -0.994 3.286 1.00 33.45 H new ATOM 0 HD1 TYR A 34 -2.241 -0.384 3.991 1.00 21.43 H new ATOM 0 HD2 TYR A 34 0.795 1.844 1.996 1.00 51.32 H new ATOM 0 HE1 TYR A 34 -3.961 0.839 2.740 1.00 71.33 H new ATOM 0 HE2 TYR A 34 -0.925 3.070 0.748 1.00 71.32 H new ATOM 0 HH TYR A 34 -3.081 3.370 0.379 1.00 45.31 H new ATOM 512 N ILE A 35 2.043 -0.835 6.558 1.00 0.10 N ATOM 513 CA ILE A 35 3.039 -1.594 7.303 1.00 61.14 C ATOM 514 C ILE A 35 2.375 -2.298 8.483 1.00 4.13 C ATOM 515 O ILE A 35 2.720 -3.428 8.825 1.00 12.23 O ATOM 516 CB ILE A 35 4.185 -0.686 7.810 1.00 43.32 C ATOM 517 CG1 ILE A 35 4.899 -0.025 6.626 1.00 35.41 C ATOM 518 CG2 ILE A 35 5.176 -1.482 8.653 1.00 0.11 C ATOM 519 CD1 ILE A 35 5.982 0.955 7.032 1.00 41.01 C ATOM 0 H ILE A 35 2.164 0.177 6.597 1.00 0.10 H new ATOM 0 HA ILE A 35 3.471 -2.333 6.629 1.00 61.14 H new ATOM 0 HB ILE A 35 3.754 0.093 8.439 1.00 43.32 H new ATOM 0 HG12 ILE A 35 5.341 -0.801 6.001 1.00 35.41 H new ATOM 0 HG13 ILE A 35 4.162 0.496 6.014 1.00 35.41 H new ATOM 0 HG21 ILE A 35 5.972 -0.822 8.998 1.00 0.11 H new ATOM 0 HG22 ILE A 35 4.661 -1.910 9.513 1.00 0.11 H new ATOM 0 HG23 ILE A 35 5.604 -2.284 8.051 1.00 0.11 H new ATOM 0 HD11 ILE A 35 6.441 1.381 6.140 1.00 41.01 H new ATOM 0 HD12 ILE A 35 5.544 1.753 7.631 1.00 41.01 H new ATOM 0 HD13 ILE A 35 6.741 0.436 7.618 1.00 41.01 H new ATOM 531 N GLU A 36 1.405 -1.625 9.083 1.00 4.12 N ATOM 532 CA GLU A 36 0.636 -2.180 10.177 1.00 12.41 C ATOM 533 C GLU A 36 -0.204 -3.365 9.718 1.00 24.23 C ATOM 534 O GLU A 36 -0.264 -4.394 10.394 1.00 63.51 O ATOM 535 CB GLU A 36 -0.249 -1.087 10.770 1.00 54.20 C ATOM 536 CG GLU A 36 0.478 -0.166 11.735 1.00 44.31 C ATOM 537 CD GLU A 36 1.098 -0.909 12.901 1.00 31.34 C ATOM 538 OE1 GLU A 36 0.343 -1.473 13.722 1.00 43.00 O ATOM 539 OE2 GLU A 36 2.342 -0.917 13.014 1.00 44.02 O ATOM 0 H GLU A 36 1.132 -0.678 8.822 1.00 4.12 H new ATOM 0 HA GLU A 36 1.322 -2.547 10.941 1.00 12.41 H new ATOM 0 HB2 GLU A 36 -0.667 -0.491 9.959 1.00 54.20 H new ATOM 0 HB3 GLU A 36 -1.087 -1.553 11.288 1.00 54.20 H new ATOM 0 HG2 GLU A 36 1.258 0.373 11.198 1.00 44.31 H new ATOM 0 HG3 GLU A 36 -0.221 0.579 12.115 1.00 44.31 H new ATOM 546 N LEU A 37 -0.844 -3.223 8.566 1.00 71.45 N ATOM 547 CA LEU A 37 -1.606 -4.316 7.981 1.00 75.03 C ATOM 548 C LEU A 37 -0.676 -5.447 7.569 1.00 50.04 C ATOM 549 O LEU A 37 -1.030 -6.621 7.664 1.00 5.23 O ATOM 550 CB LEU A 37 -2.403 -3.838 6.766 1.00 21.51 C ATOM 551 CG LEU A 37 -3.554 -2.878 7.062 1.00 50.45 C ATOM 552 CD1 LEU A 37 -4.279 -2.528 5.776 1.00 25.43 C ATOM 553 CD2 LEU A 37 -4.521 -3.491 8.066 1.00 35.14 C ATOM 0 H LEU A 37 -0.851 -2.362 8.019 1.00 71.45 H new ATOM 0 HA LEU A 37 -2.304 -4.680 8.735 1.00 75.03 H new ATOM 0 HB2 LEU A 37 -1.717 -3.350 6.074 1.00 21.51 H new ATOM 0 HB3 LEU A 37 -2.806 -4.711 6.253 1.00 21.51 H new ATOM 0 HG LEU A 37 -3.145 -1.966 7.497 1.00 50.45 H new ATOM 0 HD11 LEU A 37 -5.098 -1.843 5.995 1.00 25.43 H new ATOM 0 HD12 LEU A 37 -3.584 -2.052 5.084 1.00 25.43 H new ATOM 0 HD13 LEU A 37 -4.677 -3.437 5.324 1.00 25.43 H new ATOM 0 HD21 LEU A 37 -5.333 -2.791 8.263 1.00 35.14 H new ATOM 0 HD22 LEU A 37 -4.930 -4.416 7.659 1.00 35.14 H new ATOM 0 HD23 LEU A 37 -3.993 -3.705 8.995 1.00 35.14 H new ATOM 565 N ALA A 38 0.523 -5.079 7.131 1.00 5.21 N ATOM 566 CA ALA A 38 1.502 -6.051 6.667 1.00 22.02 C ATOM 567 C ALA A 38 1.903 -6.988 7.796 1.00 62.24 C ATOM 568 O ALA A 38 2.106 -8.174 7.576 1.00 24.44 O ATOM 569 CB ALA A 38 2.725 -5.350 6.095 1.00 54.41 C ATOM 0 H ALA A 38 0.840 -4.110 7.088 1.00 5.21 H new ATOM 0 HA ALA A 38 1.045 -6.644 5.875 1.00 22.02 H new ATOM 0 HB1 ALA A 38 3.445 -6.094 5.754 1.00 54.41 H new ATOM 0 HB2 ALA A 38 2.425 -4.723 5.255 1.00 54.41 H new ATOM 0 HB3 ALA A 38 3.182 -4.730 6.866 1.00 54.41 H new ATOM 575 N LYS A 39 1.987 -6.450 9.003 1.00 35.02 N ATOM 576 CA LYS A 39 2.336 -7.243 10.172 1.00 44.41 C ATOM 577 C LYS A 39 1.258 -8.277 10.468 1.00 31.42 C ATOM 578 O LYS A 39 1.560 -9.441 10.733 1.00 51.41 O ATOM 579 CB LYS A 39 2.533 -6.329 11.379 1.00 65.05 C ATOM 580 CG LYS A 39 3.632 -5.302 11.184 1.00 75.53 C ATOM 581 CD LYS A 39 3.629 -4.266 12.292 1.00 14.11 C ATOM 582 CE LYS A 39 4.702 -3.214 12.063 1.00 2.41 C ATOM 583 NZ LYS A 39 4.680 -2.160 13.112 1.00 73.41 N ATOM 0 H LYS A 39 1.818 -5.463 9.199 1.00 35.02 H new ATOM 0 HA LYS A 39 3.267 -7.771 9.966 1.00 44.41 H new ATOM 0 HB2 LYS A 39 1.597 -5.813 11.591 1.00 65.05 H new ATOM 0 HB3 LYS A 39 2.766 -6.938 12.252 1.00 65.05 H new ATOM 0 HG2 LYS A 39 4.599 -5.804 11.156 1.00 75.53 H new ATOM 0 HG3 LYS A 39 3.502 -4.807 10.222 1.00 75.53 H new ATOM 0 HD2 LYS A 39 2.651 -3.787 12.343 1.00 14.11 H new ATOM 0 HD3 LYS A 39 3.795 -4.755 13.252 1.00 14.11 H new ATOM 0 HE2 LYS A 39 5.682 -3.692 12.049 1.00 2.41 H new ATOM 0 HE3 LYS A 39 4.558 -2.755 11.085 1.00 2.41 H new ATOM 0 HZ1 LYS A 39 5.618 -1.715 13.176 1.00 73.41 H new ATOM 0 HZ2 LYS A 39 3.971 -1.440 12.866 1.00 73.41 H new ATOM 0 HZ3 LYS A 39 4.436 -2.587 14.028 1.00 73.41 H new ATOM 597 N SER A 40 0.002 -7.848 10.415 1.00 2.12 N ATOM 598 CA SER A 40 -1.124 -8.741 10.644 1.00 2.34 C ATOM 599 C SER A 40 -1.183 -9.840 9.581 1.00 13.42 C ATOM 600 O SER A 40 -1.623 -10.957 9.851 1.00 35.34 O ATOM 601 CB SER A 40 -2.422 -7.935 10.638 1.00 13.20 C ATOM 602 OG SER A 40 -2.390 -6.895 11.605 1.00 14.32 O ATOM 0 H SER A 40 -0.261 -6.883 10.215 1.00 2.12 H new ATOM 0 HA SER A 40 -0.994 -9.220 11.614 1.00 2.34 H new ATOM 0 HB2 SER A 40 -2.583 -7.509 9.648 1.00 13.20 H new ATOM 0 HB3 SER A 40 -3.264 -8.597 10.841 1.00 13.20 H new ATOM 0 HG SER A 40 -3.233 -6.396 11.577 1.00 14.32 H new ATOM 608 N VAL A 41 -0.736 -9.517 8.373 1.00 3.24 N ATOM 609 CA VAL A 41 -0.752 -10.472 7.276 1.00 24.23 C ATOM 610 C VAL A 41 0.501 -11.349 7.288 1.00 43.41 C ATOM 611 O VAL A 41 0.432 -12.548 7.032 1.00 40.32 O ATOM 612 CB VAL A 41 -0.863 -9.755 5.911 1.00 15.33 C ATOM 613 CG1 VAL A 41 -0.849 -10.755 4.765 1.00 22.22 C ATOM 614 CG2 VAL A 41 -2.122 -8.904 5.852 1.00 1.11 C ATOM 0 H VAL A 41 -0.359 -8.601 8.130 1.00 3.24 H new ATOM 0 HA VAL A 41 -1.629 -11.104 7.416 1.00 24.23 H new ATOM 0 HB VAL A 41 0.004 -9.103 5.806 1.00 15.33 H new ATOM 0 HG11 VAL A 41 -0.928 -10.223 3.817 1.00 22.22 H new ATOM 0 HG12 VAL A 41 0.083 -11.320 4.787 1.00 22.22 H new ATOM 0 HG13 VAL A 41 -1.691 -11.439 4.869 1.00 22.22 H new ATOM 0 HG21 VAL A 41 -2.181 -8.408 4.883 1.00 1.11 H new ATOM 0 HG22 VAL A 41 -2.997 -9.539 5.988 1.00 1.11 H new ATOM 0 HG23 VAL A 41 -2.092 -8.154 6.642 1.00 1.11 H new ATOM 624 N CYS A 42 1.640 -10.753 7.599 1.00 25.24 N ATOM 625 CA CYS A 42 2.904 -11.463 7.557 1.00 14.34 C ATOM 626 C CYS A 42 3.837 -10.958 8.654 1.00 33.42 C ATOM 627 O CYS A 42 4.241 -9.796 8.653 1.00 33.32 O ATOM 628 CB CYS A 42 3.541 -11.280 6.179 1.00 0.35 C ATOM 629 SG CYS A 42 5.090 -12.173 5.936 1.00 3.53 S ATOM 0 H CYS A 42 1.713 -9.776 7.884 1.00 25.24 H new ATOM 0 HA CYS A 42 2.727 -12.525 7.730 1.00 14.34 H new ATOM 0 HB2 CYS A 42 2.829 -11.603 5.419 1.00 0.35 H new ATOM 0 HB3 CYS A 42 3.721 -10.217 6.016 1.00 0.35 H new ATOM 0 HG CYS A 42 5.138 -13.188 6.747 1.00 3.53 H new ATOM 635 N ALA A 43 4.176 -11.838 9.587 1.00 64.11 N ATOM 636 CA ALA A 43 5.035 -11.473 10.706 1.00 3.55 C ATOM 637 C ALA A 43 6.435 -11.107 10.225 1.00 13.12 C ATOM 638 O ALA A 43 7.008 -10.102 10.647 1.00 50.21 O ATOM 639 CB ALA A 43 5.100 -12.610 11.713 1.00 23.13 C ATOM 0 H ALA A 43 3.869 -12.811 9.591 1.00 64.11 H new ATOM 0 HA ALA A 43 4.606 -10.597 11.192 1.00 3.55 H new ATOM 0 HB1 ALA A 43 5.745 -12.324 12.544 1.00 23.13 H new ATOM 0 HB2 ALA A 43 4.099 -12.822 12.088 1.00 23.13 H new ATOM 0 HB3 ALA A 43 5.503 -13.501 11.231 1.00 23.13 H new ATOM 645 N GLY A 44 6.971 -11.917 9.322 1.00 33.10 N ATOM 646 CA GLY A 44 8.303 -11.679 8.804 1.00 14.02 C ATOM 647 C GLY A 44 8.274 -11.279 7.349 1.00 45.32 C ATOM 648 O GLY A 44 8.902 -11.921 6.508 1.00 62.43 O ATOM 0 H GLY A 44 6.504 -12.738 8.938 1.00 33.10 H new ATOM 0 HA2 GLY A 44 8.785 -10.895 9.387 1.00 14.02 H new ATOM 0 HA3 GLY A 44 8.905 -12.580 8.922 1.00 14.02 H new ATOM 652 N VAL A 45 7.525 -10.228 7.054 1.00 34.15 N ATOM 653 CA VAL A 45 7.362 -9.759 5.687 1.00 50.33 C ATOM 654 C VAL A 45 8.632 -9.085 5.171 1.00 32.24 C ATOM 655 O VAL A 45 9.198 -8.205 5.824 1.00 2.34 O ATOM 656 CB VAL A 45 6.158 -8.786 5.566 1.00 63.10 C ATOM 657 CG1 VAL A 45 6.286 -7.620 6.537 1.00 14.41 C ATOM 658 CG2 VAL A 45 6.008 -8.278 4.139 1.00 53.25 C ATOM 0 H VAL A 45 7.017 -9.680 7.749 1.00 34.15 H new ATOM 0 HA VAL A 45 7.164 -10.636 5.070 1.00 50.33 H new ATOM 0 HB VAL A 45 5.259 -9.344 5.828 1.00 63.10 H new ATOM 0 HG11 VAL A 45 5.427 -6.958 6.426 1.00 14.41 H new ATOM 0 HG12 VAL A 45 6.322 -7.999 7.558 1.00 14.41 H new ATOM 0 HG13 VAL A 45 7.200 -7.067 6.323 1.00 14.41 H new ATOM 0 HG21 VAL A 45 5.158 -7.599 4.082 1.00 53.25 H new ATOM 0 HG22 VAL A 45 6.915 -7.750 3.844 1.00 53.25 H new ATOM 0 HG23 VAL A 45 5.844 -9.121 3.468 1.00 53.25 H new ATOM 668 N GLU A 46 9.088 -9.517 4.005 1.00 5.24 N ATOM 669 CA GLU A 46 10.206 -8.872 3.345 1.00 43.33 C ATOM 670 C GLU A 46 9.693 -7.830 2.379 1.00 21.55 C ATOM 671 O GLU A 46 8.901 -8.128 1.486 1.00 62.14 O ATOM 672 CB GLU A 46 11.076 -9.873 2.602 1.00 3.12 C ATOM 673 CG GLU A 46 12.025 -10.633 3.505 1.00 70.24 C ATOM 674 CD GLU A 46 13.030 -9.720 4.179 1.00 44.44 C ATOM 675 OE1 GLU A 46 14.096 -9.462 3.581 1.00 32.01 O ATOM 676 OE2 GLU A 46 12.767 -9.261 5.310 1.00 63.43 O ATOM 0 H GLU A 46 8.699 -10.312 3.498 1.00 5.24 H new ATOM 0 HA GLU A 46 10.820 -8.400 4.112 1.00 43.33 H new ATOM 0 HB2 GLU A 46 10.435 -10.584 2.081 1.00 3.12 H new ATOM 0 HB3 GLU A 46 11.653 -9.347 1.841 1.00 3.12 H new ATOM 0 HG2 GLU A 46 11.453 -11.164 4.265 1.00 70.24 H new ATOM 0 HG3 GLU A 46 12.555 -11.385 2.921 1.00 70.24 H new ATOM 683 N TYR A 47 10.135 -6.613 2.570 1.00 42.45 N ATOM 684 CA TYR A 47 9.661 -5.514 1.755 1.00 75.31 C ATOM 685 C TYR A 47 10.749 -4.492 1.486 1.00 41.45 C ATOM 686 O TYR A 47 11.670 -4.310 2.283 1.00 74.33 O ATOM 687 CB TYR A 47 8.444 -4.834 2.395 1.00 62.25 C ATOM 688 CG TYR A 47 8.692 -4.242 3.767 1.00 5.35 C ATOM 689 CD1 TYR A 47 8.669 -5.037 4.905 1.00 62.15 C ATOM 690 CD2 TYR A 47 8.940 -2.884 3.920 1.00 3.43 C ATOM 691 CE1 TYR A 47 8.886 -4.495 6.155 1.00 41.31 C ATOM 692 CE2 TYR A 47 9.161 -2.335 5.168 1.00 44.14 C ATOM 693 CZ TYR A 47 9.135 -3.144 6.281 1.00 32.43 C ATOM 694 OH TYR A 47 9.354 -2.601 7.528 1.00 53.32 O ATOM 0 H TYR A 47 10.821 -6.354 3.280 1.00 42.45 H new ATOM 0 HA TYR A 47 9.361 -5.941 0.798 1.00 75.31 H new ATOM 0 HB2 TYR A 47 8.098 -4.042 1.731 1.00 62.25 H new ATOM 0 HB3 TYR A 47 7.637 -5.563 2.470 1.00 62.25 H new ATOM 0 HD1 TYR A 47 8.478 -6.096 4.810 1.00 62.15 H new ATOM 0 HD2 TYR A 47 8.960 -2.247 3.048 1.00 3.43 H new ATOM 0 HE1 TYR A 47 8.861 -5.126 7.031 1.00 41.31 H new ATOM 0 HE2 TYR A 47 9.353 -1.277 5.270 1.00 44.14 H new ATOM 0 HH TYR A 47 9.515 -1.638 7.442 1.00 53.32 H new ATOM 704 N ASN A 48 10.630 -3.841 0.345 1.00 73.23 N ATOM 705 CA ASN A 48 11.489 -2.720 -0.004 1.00 65.22 C ATOM 706 C ASN A 48 10.609 -1.518 -0.273 1.00 70.30 C ATOM 707 O ASN A 48 9.393 -1.656 -0.417 1.00 2.20 O ATOM 708 CB ASN A 48 12.349 -3.004 -1.244 1.00 54.53 C ATOM 709 CG ASN A 48 13.272 -4.204 -1.099 1.00 4.14 C ATOM 710 OD1 ASN A 48 13.600 -4.865 -2.086 1.00 71.42 O ATOM 711 ND2 ASN A 48 13.707 -4.492 0.117 1.00 31.23 N ATOM 0 H ASN A 48 9.937 -4.072 -0.367 1.00 73.23 H new ATOM 0 HA ASN A 48 12.171 -2.540 0.827 1.00 65.22 H new ATOM 0 HB2 ASN A 48 11.692 -3.166 -2.099 1.00 54.53 H new ATOM 0 HB3 ASN A 48 12.950 -2.122 -1.466 1.00 54.53 H new ATOM 0 HD21 ASN A 48 14.335 -5.283 0.260 1.00 31.23 H new ATOM 0 HD22 ASN A 48 13.415 -3.923 0.911 1.00 31.23 H new ATOM 718 N VAL A 49 11.210 -0.352 -0.358 1.00 54.20 N ATOM 719 CA VAL A 49 10.451 0.873 -0.545 1.00 74.02 C ATOM 720 C VAL A 49 11.332 1.961 -1.146 1.00 41.21 C ATOM 721 O VAL A 49 12.544 1.993 -0.914 1.00 42.31 O ATOM 722 CB VAL A 49 9.841 1.354 0.796 1.00 61.40 C ATOM 723 CG1 VAL A 49 10.928 1.716 1.796 1.00 74.12 C ATOM 724 CG2 VAL A 49 8.896 2.527 0.582 1.00 63.33 C ATOM 0 H VAL A 49 12.220 -0.222 -0.301 1.00 54.20 H new ATOM 0 HA VAL A 49 9.635 0.664 -1.237 1.00 74.02 H new ATOM 0 HB VAL A 49 9.264 0.526 1.209 1.00 61.40 H new ATOM 0 HG11 VAL A 49 10.470 2.050 2.727 1.00 74.12 H new ATOM 0 HG12 VAL A 49 11.549 0.842 1.991 1.00 74.12 H new ATOM 0 HG13 VAL A 49 11.546 2.516 1.388 1.00 74.12 H new ATOM 0 HG21 VAL A 49 8.484 2.842 1.541 1.00 63.33 H new ATOM 0 HG22 VAL A 49 9.441 3.356 0.131 1.00 63.33 H new ATOM 0 HG23 VAL A 49 8.084 2.224 -0.080 1.00 63.33 H new ATOM 734 N SER A 50 10.727 2.826 -1.944 1.00 61.13 N ATOM 735 CA SER A 50 11.441 3.945 -2.529 1.00 75.50 C ATOM 736 C SER A 50 11.758 4.978 -1.460 1.00 10.15 C ATOM 737 O SER A 50 11.088 5.052 -0.425 1.00 11.23 O ATOM 738 CB SER A 50 10.602 4.593 -3.626 1.00 70.34 C ATOM 739 OG SER A 50 9.705 3.657 -4.203 1.00 54.12 O ATOM 0 H SER A 50 9.741 2.773 -2.201 1.00 61.13 H new ATOM 0 HA SER A 50 12.370 3.574 -2.961 1.00 75.50 H new ATOM 0 HB2 SER A 50 10.041 5.431 -3.212 1.00 70.34 H new ATOM 0 HB3 SER A 50 11.257 4.997 -4.398 1.00 70.34 H new ATOM 0 HG SER A 50 10.180 2.820 -4.389 1.00 54.12 H new ATOM 745 N GLU A 51 12.774 5.775 -1.711 1.00 40.41 N ATOM 746 CA GLU A 51 13.147 6.839 -0.801 1.00 51.45 C ATOM 747 C GLU A 51 12.515 8.141 -1.261 1.00 34.34 C ATOM 748 O GLU A 51 12.612 8.524 -2.429 1.00 13.22 O ATOM 749 CB GLU A 51 14.670 6.979 -0.679 1.00 34.45 C ATOM 750 CG GLU A 51 15.411 7.060 -2.006 1.00 4.11 C ATOM 751 CD GLU A 51 15.479 5.726 -2.730 1.00 55.51 C ATOM 752 OE1 GLU A 51 16.344 4.893 -2.384 1.00 11.40 O ATOM 753 OE2 GLU A 51 14.644 5.493 -3.629 1.00 62.22 O ATOM 0 H GLU A 51 13.360 5.706 -2.543 1.00 40.41 H new ATOM 0 HA GLU A 51 12.775 6.589 0.192 1.00 51.45 H new ATOM 0 HB2 GLU A 51 14.893 7.874 -0.099 1.00 34.45 H new ATOM 0 HB3 GLU A 51 15.055 6.129 -0.115 1.00 34.45 H new ATOM 0 HG2 GLU A 51 14.918 7.791 -2.647 1.00 4.11 H new ATOM 0 HG3 GLU A 51 16.423 7.423 -1.829 1.00 4.11 H new ATOM 760 N LEU A 52 11.850 8.807 -0.341 1.00 52.31 N ATOM 761 CA LEU A 52 11.062 9.973 -0.675 1.00 61.22 C ATOM 762 C LEU A 52 11.588 11.236 -0.007 1.00 21.22 C ATOM 763 O LEU A 52 12.377 11.184 0.943 1.00 33.20 O ATOM 764 CB LEU A 52 9.589 9.741 -0.307 1.00 1.32 C ATOM 765 CG LEU A 52 9.319 9.020 1.023 1.00 32.30 C ATOM 766 CD1 LEU A 52 9.743 9.867 2.213 1.00 63.14 C ATOM 767 CD2 LEU A 52 7.846 8.658 1.135 1.00 21.51 C ATOM 0 H LEU A 52 11.840 8.559 0.648 1.00 52.31 H new ATOM 0 HA LEU A 52 11.143 10.124 -1.751 1.00 61.22 H new ATOM 0 HB2 LEU A 52 9.088 10.709 -0.278 1.00 1.32 H new ATOM 0 HB3 LEU A 52 9.124 9.165 -1.107 1.00 1.32 H new ATOM 0 HG LEU A 52 9.914 8.107 1.034 1.00 32.30 H new ATOM 0 HD11 LEU A 52 9.537 9.326 3.137 1.00 63.14 H new ATOM 0 HD12 LEU A 52 10.810 10.079 2.147 1.00 63.14 H new ATOM 0 HD13 LEU A 52 9.186 10.804 2.210 1.00 63.14 H new ATOM 0 HD21 LEU A 52 7.668 8.148 2.082 1.00 21.51 H new ATOM 0 HD22 LEU A 52 7.244 9.566 1.093 1.00 21.51 H new ATOM 0 HD23 LEU A 52 7.569 8.001 0.311 1.00 21.51 H new ATOM 779 N THR A 53 11.158 12.365 -0.533 1.00 25.10 N ATOM 780 CA THR A 53 11.440 13.656 0.056 1.00 21.12 C ATOM 781 C THR A 53 10.133 14.272 0.533 1.00 50.03 C ATOM 782 O THR A 53 9.110 13.588 0.600 1.00 35.20 O ATOM 783 CB THR A 53 12.113 14.596 -0.964 1.00 23.20 C ATOM 784 OG1 THR A 53 11.310 14.680 -2.150 1.00 33.12 O ATOM 785 CG2 THR A 53 13.512 14.112 -1.319 1.00 11.53 C ATOM 0 H THR A 53 10.600 12.412 -1.386 1.00 25.10 H new ATOM 0 HA THR A 53 12.125 13.520 0.893 1.00 21.12 H new ATOM 0 HB THR A 53 12.201 15.584 -0.511 1.00 23.20 H new ATOM 0 HG1 THR A 53 11.741 15.279 -2.795 1.00 33.12 H new ATOM 0 HG21 THR A 53 13.961 14.795 -2.040 1.00 11.53 H new ATOM 0 HG22 THR A 53 14.125 14.080 -0.419 1.00 11.53 H new ATOM 0 HG23 THR A 53 13.452 13.114 -1.753 1.00 11.53 H new ATOM 793 N GLU A 54 10.152 15.554 0.847 1.00 54.31 N ATOM 794 CA GLU A 54 8.949 16.243 1.276 1.00 23.20 C ATOM 795 C GLU A 54 8.080 16.613 0.078 1.00 65.21 C ATOM 796 O GLU A 54 6.923 17.006 0.234 1.00 64.44 O ATOM 797 CB GLU A 54 9.306 17.499 2.065 1.00 12.25 C ATOM 798 CG GLU A 54 9.680 17.240 3.517 1.00 21.53 C ATOM 799 CD GLU A 54 10.969 16.458 3.667 1.00 41.52 C ATOM 800 OE1 GLU A 54 12.053 17.070 3.547 1.00 31.32 O ATOM 801 OE2 GLU A 54 10.907 15.233 3.905 1.00 22.53 O ATOM 0 H GLU A 54 10.987 16.139 0.813 1.00 54.31 H new ATOM 0 HA GLU A 54 8.385 15.568 1.920 1.00 23.20 H new ATOM 0 HB2 GLU A 54 10.139 18.000 1.571 1.00 12.25 H new ATOM 0 HB3 GLU A 54 8.459 18.185 2.037 1.00 12.25 H new ATOM 0 HG2 GLU A 54 9.777 18.193 4.037 1.00 21.53 H new ATOM 0 HG3 GLU A 54 8.872 16.693 4.003 1.00 21.53 H new ATOM 808 N GLU A 55 8.648 16.503 -1.113 1.00 35.13 N ATOM 809 CA GLU A 55 7.930 16.837 -2.333 1.00 31.50 C ATOM 810 C GLU A 55 7.434 15.594 -3.067 1.00 54.51 C ATOM 811 O GLU A 55 6.728 15.705 -4.071 1.00 21.43 O ATOM 812 CB GLU A 55 8.815 17.653 -3.267 1.00 12.22 C ATOM 813 CG GLU A 55 9.221 18.996 -2.697 1.00 31.14 C ATOM 814 CD GLU A 55 9.829 19.894 -3.744 1.00 24.04 C ATOM 815 OE1 GLU A 55 9.061 20.531 -4.500 1.00 72.10 O ATOM 816 OE2 GLU A 55 11.069 19.971 -3.824 1.00 23.32 O ATOM 0 H GLU A 55 9.606 16.184 -1.261 1.00 35.13 H new ATOM 0 HA GLU A 55 7.062 17.426 -2.037 1.00 31.50 H new ATOM 0 HB2 GLU A 55 9.713 17.079 -3.497 1.00 12.22 H new ATOM 0 HB3 GLU A 55 8.288 17.811 -4.208 1.00 12.22 H new ATOM 0 HG2 GLU A 55 8.348 19.484 -2.263 1.00 31.14 H new ATOM 0 HG3 GLU A 55 9.937 18.845 -1.889 1.00 31.14 H new ATOM 823 N SER A 56 7.806 14.419 -2.581 1.00 33.45 N ATOM 824 CA SER A 56 7.393 13.179 -3.210 1.00 13.33 C ATOM 825 C SER A 56 5.900 12.950 -3.027 1.00 63.05 C ATOM 826 O SER A 56 5.395 12.909 -1.905 1.00 33.41 O ATOM 827 CB SER A 56 8.175 12.002 -2.632 1.00 55.43 C ATOM 828 OG SER A 56 9.571 12.171 -2.824 1.00 21.32 O ATOM 0 H SER A 56 8.392 14.301 -1.755 1.00 33.45 H new ATOM 0 HA SER A 56 7.604 13.255 -4.277 1.00 13.33 H new ATOM 0 HB2 SER A 56 7.960 11.907 -1.568 1.00 55.43 H new ATOM 0 HB3 SER A 56 7.849 11.077 -3.107 1.00 55.43 H new ATOM 0 HG SER A 56 9.948 11.356 -3.216 1.00 21.32 H new ATOM 834 N LYS A 57 5.198 12.811 -4.137 1.00 54.12 N ATOM 835 CA LYS A 57 3.770 12.549 -4.105 1.00 52.04 C ATOM 836 C LYS A 57 3.494 11.060 -4.214 1.00 33.05 C ATOM 837 O LYS A 57 2.363 10.617 -4.020 1.00 41.31 O ATOM 838 CB LYS A 57 3.053 13.279 -5.238 1.00 0.53 C ATOM 839 CG LYS A 57 3.033 14.789 -5.090 1.00 50.12 C ATOM 840 CD LYS A 57 2.060 15.413 -6.073 1.00 12.12 C ATOM 841 CE LYS A 57 1.984 16.917 -5.913 1.00 23.14 C ATOM 842 NZ LYS A 57 0.874 17.495 -6.714 1.00 72.23 N ATOM 0 H LYS A 57 5.595 12.875 -5.075 1.00 54.12 H new ATOM 0 HA LYS A 57 3.391 12.917 -3.151 1.00 52.04 H new ATOM 0 HB2 LYS A 57 3.535 13.024 -6.182 1.00 0.53 H new ATOM 0 HB3 LYS A 57 2.026 12.917 -5.296 1.00 0.53 H new ATOM 0 HG2 LYS A 57 2.750 15.056 -4.072 1.00 50.12 H new ATOM 0 HG3 LYS A 57 4.033 15.189 -5.258 1.00 50.12 H new ATOM 0 HD2 LYS A 57 2.366 15.171 -7.091 1.00 12.12 H new ATOM 0 HD3 LYS A 57 1.070 14.982 -5.927 1.00 12.12 H new ATOM 0 HE2 LYS A 57 1.842 17.165 -4.861 1.00 23.14 H new ATOM 0 HE3 LYS A 57 2.928 17.365 -6.222 1.00 23.14 H new ATOM 0 HZ1 LYS A 57 0.753 18.498 -6.466 1.00 72.23 H new ATOM 0 HZ2 LYS A 57 1.097 17.413 -7.726 1.00 72.23 H new ATOM 0 HZ3 LYS A 57 -0.006 16.979 -6.511 1.00 72.23 H new ATOM 856 N GLU A 58 4.528 10.287 -4.517 1.00 22.24 N ATOM 857 CA GLU A 58 4.360 8.858 -4.718 1.00 72.35 C ATOM 858 C GLU A 58 5.555 8.082 -4.184 1.00 30.43 C ATOM 859 O GLU A 58 6.679 8.594 -4.150 1.00 5.53 O ATOM 860 CB GLU A 58 4.177 8.537 -6.205 1.00 23.30 C ATOM 861 CG GLU A 58 5.423 8.797 -7.042 1.00 53.31 C ATOM 862 CD GLU A 58 5.299 8.284 -8.460 1.00 21.23 C ATOM 863 OE1 GLU A 58 5.581 7.087 -8.691 1.00 33.51 O ATOM 864 OE2 GLU A 58 4.927 9.074 -9.351 1.00 32.51 O ATOM 0 H GLU A 58 5.484 10.624 -4.628 1.00 22.24 H new ATOM 0 HA GLU A 58 3.468 8.557 -4.169 1.00 72.35 H new ATOM 0 HB2 GLU A 58 3.891 7.490 -6.310 1.00 23.30 H new ATOM 0 HB3 GLU A 58 3.354 9.134 -6.598 1.00 23.30 H new ATOM 0 HG2 GLU A 58 5.622 9.868 -7.065 1.00 53.31 H new ATOM 0 HG3 GLU A 58 6.281 8.324 -6.564 1.00 53.31 H new ATOM 871 N LEU A 59 5.300 6.854 -3.761 1.00 12.34 N ATOM 872 CA LEU A 59 6.358 5.920 -3.417 1.00 24.22 C ATOM 873 C LEU A 59 5.880 4.506 -3.700 1.00 12.11 C ATOM 874 O LEU A 59 4.685 4.212 -3.593 1.00 24.43 O ATOM 875 CB LEU A 59 6.797 6.040 -1.947 1.00 4.12 C ATOM 876 CG LEU A 59 5.834 5.462 -0.901 1.00 30.13 C ATOM 877 CD1 LEU A 59 6.529 5.351 0.445 1.00 62.01 C ATOM 878 CD2 LEU A 59 4.589 6.322 -0.770 1.00 51.04 C ATOM 0 H LEU A 59 4.358 6.479 -3.647 1.00 12.34 H new ATOM 0 HA LEU A 59 7.228 6.161 -4.028 1.00 24.22 H new ATOM 0 HB2 LEU A 59 7.761 5.543 -1.836 1.00 4.12 H new ATOM 0 HB3 LEU A 59 6.954 7.095 -1.722 1.00 4.12 H new ATOM 0 HG LEU A 59 5.531 4.469 -1.233 1.00 30.13 H new ATOM 0 HD11 LEU A 59 5.836 4.940 1.179 1.00 62.01 H new ATOM 0 HD12 LEU A 59 7.394 4.694 0.355 1.00 62.01 H new ATOM 0 HD13 LEU A 59 6.856 6.339 0.768 1.00 62.01 H new ATOM 0 HD21 LEU A 59 3.925 5.889 -0.022 1.00 51.04 H new ATOM 0 HD22 LEU A 59 4.873 7.329 -0.464 1.00 51.04 H new ATOM 0 HD23 LEU A 59 4.075 6.366 -1.730 1.00 51.04 H new ATOM 890 N THR A 60 6.804 3.642 -4.065 1.00 75.42 N ATOM 891 CA THR A 60 6.473 2.267 -4.372 1.00 34.11 C ATOM 892 C THR A 60 7.031 1.336 -3.303 1.00 1.22 C ATOM 893 O THR A 60 8.241 1.292 -3.067 1.00 72.51 O ATOM 894 CB THR A 60 7.012 1.861 -5.760 1.00 2.11 C ATOM 895 OG1 THR A 60 6.515 2.766 -6.756 1.00 51.54 O ATOM 896 CG2 THR A 60 6.593 0.441 -6.119 1.00 25.11 C ATOM 0 H THR A 60 7.794 3.869 -4.156 1.00 75.42 H new ATOM 0 HA THR A 60 5.387 2.180 -4.389 1.00 34.11 H new ATOM 0 HB THR A 60 8.101 1.904 -5.726 1.00 2.11 H new ATOM 0 HG1 THR A 60 7.205 3.428 -6.970 1.00 51.54 H new ATOM 0 HG21 THR A 60 6.987 0.183 -7.102 1.00 25.11 H new ATOM 0 HG22 THR A 60 6.987 -0.253 -5.376 1.00 25.11 H new ATOM 0 HG23 THR A 60 5.505 0.376 -6.136 1.00 25.11 H new ATOM 904 N ALA A 61 6.141 0.625 -2.636 1.00 42.05 N ATOM 905 CA ALA A 61 6.530 -0.330 -1.620 1.00 40.12 C ATOM 906 C ALA A 61 6.304 -1.747 -2.126 1.00 45.14 C ATOM 907 O ALA A 61 5.196 -2.109 -2.516 1.00 52.55 O ATOM 908 CB ALA A 61 5.756 -0.083 -0.336 1.00 41.30 C ATOM 0 H ALA A 61 5.134 0.694 -2.783 1.00 42.05 H new ATOM 0 HA ALA A 61 7.591 -0.205 -1.403 1.00 40.12 H new ATOM 0 HB1 ALA A 61 6.060 -0.809 0.418 1.00 41.30 H new ATOM 0 HB2 ALA A 61 5.964 0.924 0.026 1.00 41.30 H new ATOM 0 HB3 ALA A 61 4.688 -0.186 -0.529 1.00 41.30 H new ATOM 914 N ARG A 62 7.361 -2.534 -2.128 1.00 52.24 N ATOM 915 CA ARG A 62 7.311 -3.887 -2.658 1.00 61.15 C ATOM 916 C ARG A 62 7.287 -4.900 -1.522 1.00 34.24 C ATOM 917 O ARG A 62 8.246 -5.004 -0.761 1.00 10.33 O ATOM 918 CB ARG A 62 8.518 -4.113 -3.574 1.00 1.43 C ATOM 919 CG ARG A 62 8.686 -5.542 -4.049 1.00 52.11 C ATOM 920 CD ARG A 62 9.630 -5.614 -5.236 1.00 23.42 C ATOM 921 NE ARG A 62 9.072 -4.933 -6.401 1.00 41.33 N ATOM 922 CZ ARG A 62 9.668 -4.834 -7.583 1.00 0.13 C ATOM 923 NH1 ARG A 62 10.911 -5.267 -7.759 1.00 44.11 N ATOM 924 NH2 ARG A 62 9.016 -4.269 -8.589 1.00 71.10 N ATOM 0 H ARG A 62 8.274 -2.259 -1.766 1.00 52.24 H new ATOM 0 HA ARG A 62 6.398 -4.020 -3.239 1.00 61.15 H new ATOM 0 HB2 ARG A 62 8.425 -3.463 -4.444 1.00 1.43 H new ATOM 0 HB3 ARG A 62 9.422 -3.810 -3.045 1.00 1.43 H new ATOM 0 HG2 ARG A 62 9.072 -6.156 -3.235 1.00 52.11 H new ATOM 0 HG3 ARG A 62 7.715 -5.953 -4.326 1.00 52.11 H new ATOM 0 HD2 ARG A 62 10.586 -5.162 -4.971 1.00 23.42 H new ATOM 0 HD3 ARG A 62 9.829 -6.657 -5.483 1.00 23.42 H new ATOM 0 HE ARG A 62 8.154 -4.500 -6.299 1.00 41.33 H new ATOM 0 HH11 ARG A 62 11.421 -5.683 -6.980 1.00 44.11 H new ATOM 0 HH12 ARG A 62 11.355 -5.184 -8.673 1.00 44.11 H new ATOM 0 HH21 ARG A 62 8.069 -3.917 -8.449 1.00 71.10 H new ATOM 0 HH22 ARG A 62 9.461 -4.186 -9.503 1.00 71.10 H new ATOM 938 N PHE A 63 6.194 -5.645 -1.416 1.00 52.53 N ATOM 939 CA PHE A 63 6.000 -6.567 -0.302 1.00 74.25 C ATOM 940 C PHE A 63 6.020 -8.024 -0.760 1.00 54.22 C ATOM 941 O PHE A 63 5.412 -8.375 -1.772 1.00 33.14 O ATOM 942 CB PHE A 63 4.662 -6.293 0.393 1.00 73.22 C ATOM 943 CG PHE A 63 4.580 -4.974 1.106 1.00 73.21 C ATOM 944 CD1 PHE A 63 5.001 -4.855 2.420 1.00 33.13 C ATOM 945 CD2 PHE A 63 4.070 -3.855 0.467 1.00 54.32 C ATOM 946 CE1 PHE A 63 4.917 -3.648 3.084 1.00 61.34 C ATOM 947 CE2 PHE A 63 3.986 -2.644 1.126 1.00 30.04 C ATOM 948 CZ PHE A 63 4.409 -2.540 2.436 1.00 53.23 C ATOM 0 H PHE A 63 5.427 -5.629 -2.088 1.00 52.53 H new ATOM 0 HA PHE A 63 6.826 -6.404 0.391 1.00 74.25 H new ATOM 0 HB2 PHE A 63 3.867 -6.338 -0.351 1.00 73.22 H new ATOM 0 HB3 PHE A 63 4.472 -7.091 1.111 1.00 73.22 H new ATOM 0 HD1 PHE A 63 5.400 -5.718 2.932 1.00 33.13 H new ATOM 0 HD2 PHE A 63 3.735 -3.931 -0.557 1.00 54.32 H new ATOM 0 HE1 PHE A 63 5.248 -3.570 4.109 1.00 61.34 H new ATOM 0 HE2 PHE A 63 3.589 -1.778 0.616 1.00 30.04 H new ATOM 0 HZ PHE A 63 4.343 -1.594 2.953 1.00 53.23 H new ATOM 958 N LYS A 64 6.724 -8.863 -0.010 1.00 12.14 N ATOM 959 CA LYS A 64 6.655 -10.307 -0.188 1.00 32.32 C ATOM 960 C LYS A 64 6.255 -10.948 1.138 1.00 75.53 C ATOM 961 O LYS A 64 6.954 -10.796 2.142 1.00 24.11 O ATOM 962 CB LYS A 64 7.997 -10.869 -0.668 1.00 22.13 C ATOM 963 CG LYS A 64 7.956 -12.361 -0.965 1.00 44.04 C ATOM 964 CD LYS A 64 9.309 -12.888 -1.416 1.00 71.05 C ATOM 965 CE LYS A 64 9.249 -14.377 -1.710 1.00 13.25 C ATOM 966 NZ LYS A 64 10.582 -14.918 -2.075 1.00 63.33 N ATOM 0 H LYS A 64 7.355 -8.564 0.734 1.00 12.14 H new ATOM 0 HA LYS A 64 5.911 -10.537 -0.951 1.00 32.32 H new ATOM 0 HB2 LYS A 64 8.305 -10.335 -1.567 1.00 22.13 H new ATOM 0 HB3 LYS A 64 8.755 -10.678 0.092 1.00 22.13 H new ATOM 0 HG2 LYS A 64 7.636 -12.900 -0.073 1.00 44.04 H new ATOM 0 HG3 LYS A 64 7.214 -12.557 -1.739 1.00 44.04 H new ATOM 0 HD2 LYS A 64 9.632 -12.351 -2.308 1.00 71.05 H new ATOM 0 HD3 LYS A 64 10.053 -12.697 -0.642 1.00 71.05 H new ATOM 0 HE2 LYS A 64 8.868 -14.906 -0.836 1.00 13.25 H new ATOM 0 HE3 LYS A 64 8.547 -14.559 -2.524 1.00 13.25 H new ATOM 0 HZ1 LYS A 64 10.502 -15.937 -2.269 1.00 63.33 H new ATOM 0 HZ2 LYS A 64 10.934 -14.431 -2.924 1.00 63.33 H new ATOM 0 HZ3 LYS A 64 11.245 -14.766 -1.289 1.00 63.33 H new ATOM 980 N PHE A 65 5.135 -11.654 1.141 1.00 20.30 N ATOM 981 CA PHE A 65 4.552 -12.163 2.379 1.00 3.45 C ATOM 982 C PHE A 65 4.883 -13.635 2.588 1.00 52.21 C ATOM 983 O PHE A 65 5.718 -14.197 1.880 1.00 45.53 O ATOM 984 CB PHE A 65 3.035 -11.965 2.354 1.00 53.52 C ATOM 985 CG PHE A 65 2.627 -10.530 2.182 1.00 72.05 C ATOM 986 CD1 PHE A 65 2.564 -9.681 3.275 1.00 21.42 C ATOM 987 CD2 PHE A 65 2.309 -10.028 0.930 1.00 21.52 C ATOM 988 CE1 PHE A 65 2.196 -8.360 3.123 1.00 43.12 C ATOM 989 CE2 PHE A 65 1.939 -8.707 0.772 1.00 74.41 C ATOM 990 CZ PHE A 65 1.884 -7.872 1.870 1.00 51.31 C ATOM 0 H PHE A 65 4.608 -11.889 0.300 1.00 20.30 H new ATOM 0 HA PHE A 65 4.981 -11.604 3.211 1.00 3.45 H new ATOM 0 HB2 PHE A 65 2.612 -12.556 1.542 1.00 53.52 H new ATOM 0 HB3 PHE A 65 2.610 -12.348 3.282 1.00 53.52 H new ATOM 0 HD1 PHE A 65 2.806 -10.058 4.258 1.00 21.42 H new ATOM 0 HD2 PHE A 65 2.351 -10.677 0.068 1.00 21.52 H new ATOM 0 HE1 PHE A 65 2.152 -7.709 3.983 1.00 43.12 H new ATOM 0 HE2 PHE A 65 1.693 -8.328 -0.209 1.00 74.41 H new ATOM 0 HZ PHE A 65 1.597 -6.838 1.749 1.00 51.31 H new ATOM 1000 N GLU A 66 4.222 -14.240 3.579 1.00 14.21 N ATOM 1001 CA GLU A 66 4.380 -15.654 3.895 1.00 23.11 C ATOM 1002 C GLU A 66 4.286 -16.500 2.626 1.00 30.13 C ATOM 1003 O GLU A 66 5.183 -17.287 2.318 1.00 74.43 O ATOM 1004 CB GLU A 66 3.277 -16.088 4.865 1.00 43.40 C ATOM 1005 CG GLU A 66 3.145 -15.225 6.114 1.00 3.44 C ATOM 1006 CD GLU A 66 4.218 -15.494 7.151 1.00 23.23 C ATOM 1007 OE1 GLU A 66 4.302 -16.638 7.642 1.00 15.31 O ATOM 1008 OE2 GLU A 66 4.956 -14.556 7.510 1.00 24.23 O ATOM 0 H GLU A 66 3.560 -13.756 4.185 1.00 14.21 H new ATOM 0 HA GLU A 66 5.359 -15.801 4.351 1.00 23.11 H new ATOM 0 HB2 GLU A 66 2.325 -16.083 4.335 1.00 43.40 H new ATOM 0 HB3 GLU A 66 3.466 -17.117 5.170 1.00 43.40 H new ATOM 0 HG2 GLU A 66 3.184 -14.174 5.826 1.00 3.44 H new ATOM 0 HG3 GLU A 66 2.166 -15.396 6.562 1.00 3.44 H new ATOM 1015 N VAL A 67 3.184 -16.324 1.909 1.00 54.13 N ATOM 1016 CA VAL A 67 2.947 -16.996 0.638 1.00 4.55 C ATOM 1017 C VAL A 67 2.194 -16.053 -0.292 1.00 10.33 C ATOM 1018 O VAL A 67 1.800 -14.959 0.122 1.00 14.11 O ATOM 1019 CB VAL A 67 2.140 -18.306 0.804 1.00 63.40 C ATOM 1020 CG1 VAL A 67 2.946 -19.357 1.555 1.00 24.31 C ATOM 1021 CG2 VAL A 67 0.820 -18.045 1.513 1.00 42.51 C ATOM 0 H VAL A 67 2.424 -15.707 2.195 1.00 54.13 H new ATOM 0 HA VAL A 67 3.917 -17.262 0.218 1.00 4.55 H new ATOM 0 HB VAL A 67 1.926 -18.690 -0.193 1.00 63.40 H new ATOM 0 HG11 VAL A 67 2.353 -20.266 1.656 1.00 24.31 H new ATOM 0 HG12 VAL A 67 3.859 -19.579 1.002 1.00 24.31 H new ATOM 0 HG13 VAL A 67 3.203 -18.980 2.545 1.00 24.31 H new ATOM 0 HG21 VAL A 67 0.272 -18.981 1.617 1.00 42.51 H new ATOM 0 HG22 VAL A 67 1.014 -17.626 2.500 1.00 42.51 H new ATOM 0 HG23 VAL A 67 0.227 -17.340 0.930 1.00 42.51 H new ATOM 1031 N SER A 68 1.976 -16.473 -1.531 1.00 11.23 N ATOM 1032 CA SER A 68 1.302 -15.633 -2.513 1.00 44.53 C ATOM 1033 C SER A 68 -0.166 -15.413 -2.157 1.00 30.20 C ATOM 1034 O SER A 68 -0.775 -14.427 -2.571 1.00 22.04 O ATOM 1035 CB SER A 68 1.439 -16.244 -3.907 1.00 13.32 C ATOM 1036 OG SER A 68 0.999 -17.594 -3.939 1.00 0.32 O ATOM 0 H SER A 68 2.256 -17.390 -1.880 1.00 11.23 H new ATOM 0 HA SER A 68 1.783 -14.655 -2.507 1.00 44.53 H new ATOM 0 HB2 SER A 68 0.860 -15.656 -4.619 1.00 13.32 H new ATOM 0 HB3 SER A 68 2.481 -16.194 -4.225 1.00 13.32 H new ATOM 0 HG SER A 68 1.100 -17.950 -4.847 1.00 0.32 H new ATOM 1042 N ALA A 69 -0.717 -16.325 -1.378 1.00 74.45 N ATOM 1043 CA ALA A 69 -2.097 -16.218 -0.922 1.00 21.44 C ATOM 1044 C ALA A 69 -2.266 -15.043 0.037 1.00 55.30 C ATOM 1045 O ALA A 69 -3.265 -14.326 -0.017 1.00 53.42 O ATOM 1046 CB ALA A 69 -2.532 -17.513 -0.260 1.00 4.13 C ATOM 0 H ALA A 69 -0.228 -17.156 -1.044 1.00 74.45 H new ATOM 0 HA ALA A 69 -2.732 -16.037 -1.790 1.00 21.44 H new ATOM 0 HB1 ALA A 69 -3.565 -17.421 0.076 1.00 4.13 H new ATOM 0 HB2 ALA A 69 -2.455 -18.331 -0.976 1.00 4.13 H new ATOM 0 HB3 ALA A 69 -1.889 -17.718 0.596 1.00 4.13 H new ATOM 1052 N GLU A 70 -1.271 -14.840 0.898 1.00 22.25 N ATOM 1053 CA GLU A 70 -1.305 -13.753 1.865 1.00 51.43 C ATOM 1054 C GLU A 70 -1.297 -12.409 1.147 1.00 32.23 C ATOM 1055 O GLU A 70 -1.885 -11.437 1.621 1.00 21.54 O ATOM 1056 CB GLU A 70 -0.109 -13.842 2.813 1.00 21.41 C ATOM 1057 CG GLU A 70 0.064 -15.202 3.468 1.00 51.14 C ATOM 1058 CD GLU A 70 -1.154 -15.657 4.248 1.00 52.04 C ATOM 1059 OE1 GLU A 70 -1.249 -15.338 5.452 1.00 23.33 O ATOM 1060 OE2 GLU A 70 -2.004 -16.362 3.671 1.00 13.24 O ATOM 0 H GLU A 70 -0.431 -15.417 0.943 1.00 22.25 H new ATOM 0 HA GLU A 70 -2.222 -13.840 2.448 1.00 51.43 H new ATOM 0 HB2 GLU A 70 0.798 -13.599 2.260 1.00 21.41 H new ATOM 0 HB3 GLU A 70 -0.219 -13.087 3.592 1.00 21.41 H new ATOM 0 HG2 GLU A 70 0.290 -15.941 2.699 1.00 51.14 H new ATOM 0 HG3 GLU A 70 0.923 -15.167 4.138 1.00 51.14 H new ATOM 1067 N LYS A 71 -0.619 -12.371 -0.001 1.00 13.33 N ATOM 1068 CA LYS A 71 -0.599 -11.187 -0.854 1.00 3.42 C ATOM 1069 C LYS A 71 -2.014 -10.751 -1.160 1.00 2.13 C ATOM 1070 O LYS A 71 -2.417 -9.626 -0.873 1.00 1.03 O ATOM 1071 CB LYS A 71 0.084 -11.492 -2.183 1.00 13.31 C ATOM 1072 CG LYS A 71 0.208 -10.270 -3.078 1.00 51.41 C ATOM 1073 CD LYS A 71 0.086 -10.621 -4.554 1.00 15.43 C ATOM 1074 CE LYS A 71 1.284 -11.401 -5.057 1.00 54.42 C ATOM 1075 NZ LYS A 71 1.197 -11.656 -6.519 1.00 45.01 N ATOM 0 H LYS A 71 -0.073 -13.154 -0.361 1.00 13.33 H new ATOM 0 HA LYS A 71 -0.056 -10.404 -0.324 1.00 3.42 H new ATOM 0 HB2 LYS A 71 1.077 -11.898 -1.991 1.00 13.31 H new ATOM 0 HB3 LYS A 71 -0.480 -12.264 -2.707 1.00 13.31 H new ATOM 0 HG2 LYS A 71 -0.565 -9.548 -2.813 1.00 51.41 H new ATOM 0 HG3 LYS A 71 1.169 -9.788 -2.900 1.00 51.41 H new ATOM 0 HD2 LYS A 71 -0.820 -11.206 -4.713 1.00 15.43 H new ATOM 0 HD3 LYS A 71 -0.020 -9.706 -5.136 1.00 15.43 H new ATOM 0 HE2 LYS A 71 2.197 -10.848 -4.837 1.00 54.42 H new ATOM 0 HE3 LYS A 71 1.350 -12.350 -4.525 1.00 54.42 H new ATOM 0 HZ1 LYS A 71 1.753 -12.502 -6.757 1.00 45.01 H new ATOM 0 HZ2 LYS A 71 0.203 -11.807 -6.786 1.00 45.01 H new ATOM 0 HZ3 LYS A 71 1.574 -10.837 -7.037 1.00 45.01 H new ATOM 1089 N LEU A 72 -2.746 -11.675 -1.759 1.00 45.11 N ATOM 1090 CA LEU A 72 -4.133 -11.455 -2.157 1.00 60.53 C ATOM 1091 C LEU A 72 -4.962 -10.901 -0.999 1.00 13.53 C ATOM 1092 O LEU A 72 -5.683 -9.921 -1.165 1.00 31.11 O ATOM 1093 CB LEU A 72 -4.745 -12.764 -2.662 1.00 63.33 C ATOM 1094 CG LEU A 72 -4.053 -13.379 -3.881 1.00 61.11 C ATOM 1095 CD1 LEU A 72 -4.725 -14.687 -4.270 1.00 43.30 C ATOM 1096 CD2 LEU A 72 -4.069 -12.405 -5.050 1.00 54.43 C ATOM 0 H LEU A 72 -2.396 -12.606 -1.986 1.00 45.11 H new ATOM 0 HA LEU A 72 -4.142 -10.718 -2.960 1.00 60.53 H new ATOM 0 HB2 LEU A 72 -4.729 -13.491 -1.850 1.00 63.33 H new ATOM 0 HB3 LEU A 72 -5.791 -12.586 -2.910 1.00 63.33 H new ATOM 0 HG LEU A 72 -3.016 -13.588 -3.620 1.00 61.11 H new ATOM 0 HD11 LEU A 72 -4.221 -15.111 -5.138 1.00 43.30 H new ATOM 0 HD12 LEU A 72 -4.666 -15.388 -3.438 1.00 43.30 H new ATOM 0 HD13 LEU A 72 -5.771 -14.500 -4.513 1.00 43.30 H new ATOM 0 HD21 LEU A 72 -3.573 -12.858 -5.908 1.00 54.43 H new ATOM 0 HD22 LEU A 72 -5.100 -12.167 -5.311 1.00 54.43 H new ATOM 0 HD23 LEU A 72 -3.545 -11.491 -4.769 1.00 54.43 H new ATOM 1108 N ILE A 73 -4.839 -11.522 0.168 1.00 53.12 N ATOM 1109 CA ILE A 73 -5.565 -11.080 1.359 1.00 22.12 C ATOM 1110 C ILE A 73 -5.179 -9.650 1.742 1.00 34.02 C ATOM 1111 O ILE A 73 -6.041 -8.827 2.062 1.00 40.53 O ATOM 1112 CB ILE A 73 -5.302 -12.019 2.556 1.00 52.42 C ATOM 1113 CG1 ILE A 73 -5.674 -13.458 2.193 1.00 24.05 C ATOM 1114 CG2 ILE A 73 -6.084 -11.557 3.780 1.00 1.35 C ATOM 1115 CD1 ILE A 73 -5.387 -14.454 3.293 1.00 10.51 C ATOM 0 H ILE A 73 -4.242 -12.336 0.318 1.00 53.12 H new ATOM 0 HA ILE A 73 -6.627 -11.108 1.114 1.00 22.12 H new ATOM 0 HB ILE A 73 -4.239 -11.985 2.796 1.00 52.42 H new ATOM 0 HG12 ILE A 73 -6.735 -13.499 1.945 1.00 24.05 H new ATOM 0 HG13 ILE A 73 -5.126 -13.751 1.297 1.00 24.05 H new ATOM 0 HG21 ILE A 73 -5.886 -12.231 4.614 1.00 1.35 H new ATOM 0 HG22 ILE A 73 -5.776 -10.547 4.049 1.00 1.35 H new ATOM 0 HG23 ILE A 73 -7.150 -11.563 3.554 1.00 1.35 H new ATOM 0 HD11 ILE A 73 -5.676 -15.452 2.964 1.00 10.51 H new ATOM 0 HD12 ILE A 73 -4.322 -14.443 3.525 1.00 10.51 H new ATOM 0 HD13 ILE A 73 -5.956 -14.186 4.184 1.00 10.51 H new ATOM 1127 N PHE A 74 -3.884 -9.356 1.700 1.00 20.01 N ATOM 1128 CA PHE A 74 -3.391 -8.017 1.996 1.00 23.25 C ATOM 1129 C PHE A 74 -3.946 -7.017 0.989 1.00 15.22 C ATOM 1130 O PHE A 74 -4.455 -5.964 1.370 1.00 24.14 O ATOM 1131 CB PHE A 74 -1.859 -7.988 1.981 1.00 55.10 C ATOM 1132 CG PHE A 74 -1.272 -6.625 2.230 1.00 53.31 C ATOM 1133 CD1 PHE A 74 -1.175 -6.120 3.516 1.00 2.32 C ATOM 1134 CD2 PHE A 74 -0.814 -5.848 1.175 1.00 11.32 C ATOM 1135 CE1 PHE A 74 -0.633 -4.870 3.748 1.00 64.42 C ATOM 1136 CE2 PHE A 74 -0.272 -4.598 1.400 1.00 43.13 C ATOM 1137 CZ PHE A 74 -0.181 -4.106 2.689 1.00 5.13 C ATOM 0 H PHE A 74 -3.155 -10.029 1.463 1.00 20.01 H new ATOM 0 HA PHE A 74 -3.730 -7.739 2.994 1.00 23.25 H new ATOM 0 HB2 PHE A 74 -1.485 -8.678 2.738 1.00 55.10 H new ATOM 0 HB3 PHE A 74 -1.508 -8.353 1.016 1.00 55.10 H new ATOM 0 HD1 PHE A 74 -1.528 -6.711 4.348 1.00 2.32 H new ATOM 0 HD2 PHE A 74 -0.882 -6.226 0.166 1.00 11.32 H new ATOM 0 HE1 PHE A 74 -0.563 -4.490 4.757 1.00 64.42 H new ATOM 0 HE2 PHE A 74 0.081 -4.005 0.569 1.00 43.13 H new ATOM 0 HZ PHE A 74 0.242 -3.128 2.867 1.00 5.13 H new ATOM 1147 N GLU A 75 -3.854 -7.366 -0.289 1.00 31.51 N ATOM 1148 CA GLU A 75 -4.389 -6.539 -1.365 1.00 44.53 C ATOM 1149 C GLU A 75 -5.871 -6.250 -1.131 1.00 32.14 C ATOM 1150 O GLU A 75 -6.309 -5.104 -1.214 1.00 24.02 O ATOM 1151 CB GLU A 75 -4.196 -7.245 -2.709 1.00 24.42 C ATOM 1152 CG GLU A 75 -2.747 -7.311 -3.167 1.00 20.21 C ATOM 1153 CD GLU A 75 -2.310 -6.051 -3.888 1.00 63.10 C ATOM 1154 OE1 GLU A 75 -2.088 -5.020 -3.224 1.00 1.11 O ATOM 1155 OE2 GLU A 75 -2.197 -6.090 -5.133 1.00 34.44 O ATOM 0 H GLU A 75 -3.409 -8.226 -0.608 1.00 31.51 H new ATOM 0 HA GLU A 75 -3.850 -5.592 -1.379 1.00 44.53 H new ATOM 0 HB2 GLU A 75 -4.590 -8.259 -2.636 1.00 24.42 H new ATOM 0 HB3 GLU A 75 -4.784 -6.728 -3.468 1.00 24.42 H new ATOM 0 HG2 GLU A 75 -2.103 -7.474 -2.303 1.00 20.21 H new ATOM 0 HG3 GLU A 75 -2.616 -8.168 -3.828 1.00 20.21 H new ATOM 1162 N LEU A 76 -6.625 -7.295 -0.806 1.00 0.12 N ATOM 1163 CA LEU A 76 -8.045 -7.186 -0.554 1.00 0.32 C ATOM 1164 C LEU A 76 -8.343 -6.204 0.580 1.00 62.12 C ATOM 1165 O LEU A 76 -9.226 -5.351 0.462 1.00 72.14 O ATOM 1166 CB LEU A 76 -8.589 -8.572 -0.217 1.00 74.11 C ATOM 1167 CG LEU A 76 -8.703 -9.542 -1.398 1.00 43.44 C ATOM 1168 CD1 LEU A 76 -9.219 -10.894 -0.929 1.00 30.33 C ATOM 1169 CD2 LEU A 76 -9.612 -8.970 -2.475 1.00 23.41 C ATOM 0 H LEU A 76 -6.260 -8.243 -0.711 1.00 0.12 H new ATOM 0 HA LEU A 76 -8.534 -6.799 -1.448 1.00 0.32 H new ATOM 0 HB2 LEU A 76 -7.945 -9.022 0.539 1.00 74.11 H new ATOM 0 HB3 LEU A 76 -9.575 -8.457 0.232 1.00 74.11 H new ATOM 0 HG LEU A 76 -7.710 -9.680 -1.825 1.00 43.44 H new ATOM 0 HD11 LEU A 76 -9.294 -11.570 -1.781 1.00 30.33 H new ATOM 0 HD12 LEU A 76 -8.531 -11.311 -0.194 1.00 30.33 H new ATOM 0 HD13 LEU A 76 -10.203 -10.771 -0.476 1.00 30.33 H new ATOM 0 HD21 LEU A 76 -9.680 -9.673 -3.305 1.00 23.41 H new ATOM 0 HD22 LEU A 76 -10.606 -8.801 -2.060 1.00 23.41 H new ATOM 0 HD23 LEU A 76 -9.203 -8.025 -2.833 1.00 23.41 H new ATOM 1181 N LYS A 77 -7.596 -6.314 1.670 1.00 14.12 N ATOM 1182 CA LYS A 77 -7.802 -5.441 2.817 1.00 54.11 C ATOM 1183 C LYS A 77 -7.290 -4.030 2.540 1.00 34.31 C ATOM 1184 O LYS A 77 -7.855 -3.055 3.027 1.00 45.50 O ATOM 1185 CB LYS A 77 -7.151 -6.032 4.073 1.00 23.31 C ATOM 1186 CG LYS A 77 -7.895 -7.250 4.606 1.00 52.12 C ATOM 1187 CD LYS A 77 -7.380 -7.695 5.969 1.00 33.21 C ATOM 1188 CE LYS A 77 -6.011 -8.346 5.886 1.00 33.25 C ATOM 1189 NZ LYS A 77 -5.606 -8.937 7.190 1.00 31.43 N ATOM 0 H LYS A 77 -6.846 -6.995 1.784 1.00 14.12 H new ATOM 0 HA LYS A 77 -8.875 -5.369 2.995 1.00 54.11 H new ATOM 0 HB2 LYS A 77 -6.122 -6.311 3.846 1.00 23.31 H new ATOM 0 HB3 LYS A 77 -7.111 -5.268 4.849 1.00 23.31 H new ATOM 0 HG2 LYS A 77 -8.958 -7.019 4.680 1.00 52.12 H new ATOM 0 HG3 LYS A 77 -7.796 -8.072 3.897 1.00 52.12 H new ATOM 0 HD2 LYS A 77 -7.330 -6.833 6.634 1.00 33.21 H new ATOM 0 HD3 LYS A 77 -8.087 -8.397 6.410 1.00 33.21 H new ATOM 0 HE2 LYS A 77 -6.023 -9.123 5.122 1.00 33.25 H new ATOM 0 HE3 LYS A 77 -5.273 -7.605 5.577 1.00 33.25 H new ATOM 0 HZ1 LYS A 77 -4.897 -9.681 7.029 1.00 31.43 H new ATOM 0 HZ2 LYS A 77 -5.199 -8.196 7.795 1.00 31.43 H new ATOM 0 HZ3 LYS A 77 -6.439 -9.348 7.659 1.00 31.43 H new ATOM 1203 N THR A 78 -6.238 -3.928 1.740 1.00 43.40 N ATOM 1204 CA THR A 78 -5.701 -2.633 1.344 1.00 42.44 C ATOM 1205 C THR A 78 -6.715 -1.867 0.498 1.00 54.23 C ATOM 1206 O THR A 78 -6.992 -0.694 0.755 1.00 52.31 O ATOM 1207 CB THR A 78 -4.384 -2.791 0.562 1.00 61.32 C ATOM 1208 OG1 THR A 78 -3.427 -3.486 1.368 1.00 53.41 O ATOM 1209 CG2 THR A 78 -3.818 -1.438 0.155 1.00 2.53 C ATOM 0 H THR A 78 -5.738 -4.728 1.352 1.00 43.40 H new ATOM 0 HA THR A 78 -5.497 -2.069 2.254 1.00 42.44 H new ATOM 0 HB THR A 78 -4.593 -3.361 -0.343 1.00 61.32 H new ATOM 0 HG1 THR A 78 -3.747 -4.395 1.545 1.00 53.41 H new ATOM 0 HG21 THR A 78 -2.888 -1.583 -0.395 1.00 2.53 H new ATOM 0 HG22 THR A 78 -4.537 -0.918 -0.478 1.00 2.53 H new ATOM 0 HG23 THR A 78 -3.623 -0.842 1.047 1.00 2.53 H new ATOM 1217 N ARG A 79 -7.284 -2.545 -0.492 1.00 15.54 N ATOM 1218 CA ARG A 79 -8.287 -1.956 -1.354 1.00 3.31 C ATOM 1219 C ARG A 79 -9.475 -1.458 -0.538 1.00 42.22 C ATOM 1220 O ARG A 79 -9.958 -0.344 -0.741 1.00 44.00 O ATOM 1221 CB ARG A 79 -8.745 -2.996 -2.376 1.00 33.55 C ATOM 1222 CG ARG A 79 -7.666 -3.419 -3.359 1.00 23.14 C ATOM 1223 CD ARG A 79 -7.233 -2.262 -4.240 1.00 2.44 C ATOM 1224 NE ARG A 79 -6.109 -2.619 -5.104 1.00 45.40 N ATOM 1225 CZ ARG A 79 -6.142 -2.552 -6.434 1.00 71.14 C ATOM 1226 NH1 ARG A 79 -7.261 -2.194 -7.058 1.00 70.11 N ATOM 1227 NH2 ARG A 79 -5.064 -2.866 -7.142 1.00 25.44 N ATOM 0 H ARG A 79 -7.060 -3.515 -0.715 1.00 15.54 H new ATOM 0 HA ARG A 79 -7.853 -1.101 -1.873 1.00 3.31 H new ATOM 0 HB2 ARG A 79 -9.103 -3.878 -1.845 1.00 33.55 H new ATOM 0 HB3 ARG A 79 -9.591 -2.594 -2.933 1.00 33.55 H new ATOM 0 HG2 ARG A 79 -6.805 -3.804 -2.813 1.00 23.14 H new ATOM 0 HG3 ARG A 79 -8.038 -4.233 -3.982 1.00 23.14 H new ATOM 0 HD2 ARG A 79 -8.074 -1.940 -4.854 1.00 2.44 H new ATOM 0 HD3 ARG A 79 -6.953 -1.415 -3.614 1.00 2.44 H new ATOM 0 HE ARG A 79 -5.247 -2.939 -4.662 1.00 45.40 H new ATOM 0 HH11 ARG A 79 -8.097 -1.970 -6.518 1.00 70.11 H new ATOM 0 HH12 ARG A 79 -7.283 -2.144 -8.077 1.00 70.11 H new ATOM 0 HH21 ARG A 79 -4.210 -3.159 -6.668 1.00 25.44 H new ATOM 0 HH22 ARG A 79 -5.090 -2.815 -8.160 1.00 25.44 H new ATOM 1241 N SER A 80 -9.922 -2.282 0.400 1.00 34.52 N ATOM 1242 CA SER A 80 -11.058 -1.956 1.232 1.00 63.23 C ATOM 1243 C SER A 80 -10.750 -0.787 2.168 1.00 32.24 C ATOM 1244 O SER A 80 -11.602 0.076 2.404 1.00 35.44 O ATOM 1245 CB SER A 80 -11.450 -3.194 2.029 1.00 45.45 C ATOM 1246 OG SER A 80 -11.698 -4.290 1.164 1.00 64.31 O ATOM 0 H SER A 80 -9.505 -3.191 0.600 1.00 34.52 H new ATOM 0 HA SER A 80 -11.887 -1.645 0.596 1.00 63.23 H new ATOM 0 HB2 SER A 80 -10.654 -3.449 2.728 1.00 45.45 H new ATOM 0 HB3 SER A 80 -12.340 -2.984 2.622 1.00 45.45 H new ATOM 0 HG SER A 80 -10.846 -4.681 0.879 1.00 64.31 H new ATOM 1252 N LEU A 81 -9.526 -0.748 2.676 1.00 53.33 N ATOM 1253 CA LEU A 81 -9.114 0.287 3.592 1.00 53.55 C ATOM 1254 C LEU A 81 -8.983 1.619 2.865 1.00 54.01 C ATOM 1255 O LEU A 81 -9.385 2.657 3.378 1.00 60.40 O ATOM 1256 CB LEU A 81 -7.782 -0.097 4.239 1.00 10.24 C ATOM 1257 CG LEU A 81 -7.010 1.073 4.824 1.00 54.00 C ATOM 1258 CD1 LEU A 81 -7.721 1.640 6.046 1.00 34.41 C ATOM 1259 CD2 LEU A 81 -5.586 0.675 5.165 1.00 0.04 C ATOM 0 H LEU A 81 -8.800 -1.432 2.462 1.00 53.33 H new ATOM 0 HA LEU A 81 -9.871 0.393 4.369 1.00 53.55 H new ATOM 0 HB2 LEU A 81 -7.972 -0.823 5.029 1.00 10.24 H new ATOM 0 HB3 LEU A 81 -7.159 -0.592 3.494 1.00 10.24 H new ATOM 0 HG LEU A 81 -6.967 1.854 4.065 1.00 54.00 H new ATOM 0 HD11 LEU A 81 -7.147 2.476 6.445 1.00 34.41 H new ATOM 0 HD12 LEU A 81 -8.715 1.985 5.761 1.00 34.41 H new ATOM 0 HD13 LEU A 81 -7.810 0.865 6.807 1.00 34.41 H new ATOM 0 HD21 LEU A 81 -5.058 1.533 5.582 1.00 0.04 H new ATOM 0 HD22 LEU A 81 -5.599 -0.133 5.896 1.00 0.04 H new ATOM 0 HD23 LEU A 81 -5.076 0.339 4.262 1.00 0.04 H new ATOM 1271 N ALA A 82 -8.448 1.578 1.655 1.00 32.24 N ATOM 1272 CA ALA A 82 -8.204 2.796 0.892 1.00 53.00 C ATOM 1273 C ALA A 82 -9.445 3.241 0.136 1.00 34.53 C ATOM 1274 O ALA A 82 -9.390 4.160 -0.677 1.00 50.31 O ATOM 1275 CB ALA A 82 -7.040 2.597 -0.067 1.00 13.43 C ATOM 0 H ALA A 82 -8.174 0.718 1.180 1.00 32.24 H new ATOM 0 HA ALA A 82 -7.948 3.584 1.600 1.00 53.00 H new ATOM 0 HB1 ALA A 82 -6.871 3.515 -0.629 1.00 13.43 H new ATOM 0 HB2 ALA A 82 -6.142 2.346 0.498 1.00 13.43 H new ATOM 0 HB3 ALA A 82 -7.272 1.786 -0.758 1.00 13.43 H new ATOM 1281 N ARG A 83 -10.563 2.602 0.420 1.00 1.35 N ATOM 1282 CA ARG A 83 -11.817 2.939 -0.240 1.00 65.51 C ATOM 1283 C ARG A 83 -12.706 3.756 0.686 1.00 62.22 C ATOM 1284 O ARG A 83 -13.254 4.783 0.287 1.00 31.43 O ATOM 1285 CB ARG A 83 -12.545 1.678 -0.711 1.00 24.21 C ATOM 1286 CG ARG A 83 -13.739 1.973 -1.606 1.00 42.32 C ATOM 1287 CD ARG A 83 -14.281 0.715 -2.264 1.00 11.40 C ATOM 1288 NE ARG A 83 -14.902 -0.198 -1.306 1.00 32.34 N ATOM 1289 CZ ARG A 83 -15.002 -1.512 -1.498 1.00 3.51 C ATOM 1290 NH1 ARG A 83 -14.462 -2.080 -2.569 1.00 31.10 N ATOM 1291 NH2 ARG A 83 -15.652 -2.261 -0.616 1.00 43.24 N ATOM 0 H ARG A 83 -10.633 1.847 1.102 1.00 1.35 H new ATOM 0 HA ARG A 83 -11.585 3.542 -1.118 1.00 65.51 H new ATOM 0 HB2 ARG A 83 -11.843 1.042 -1.250 1.00 24.21 H new ATOM 0 HB3 ARG A 83 -12.882 1.115 0.159 1.00 24.21 H new ATOM 0 HG2 ARG A 83 -14.527 2.442 -1.017 1.00 42.32 H new ATOM 0 HG3 ARG A 83 -13.448 2.688 -2.375 1.00 42.32 H new ATOM 0 HD2 ARG A 83 -15.013 0.993 -3.022 1.00 11.40 H new ATOM 0 HD3 ARG A 83 -13.469 0.200 -2.778 1.00 11.40 H new ATOM 0 HE ARG A 83 -15.280 0.193 -0.443 1.00 32.34 H new ATOM 0 HH11 ARG A 83 -13.965 -1.509 -3.253 1.00 31.10 H new ATOM 0 HH12 ARG A 83 -14.544 -3.087 -2.708 1.00 31.10 H new ATOM 0 HH21 ARG A 83 -16.074 -1.830 0.207 1.00 43.24 H new ATOM 0 HH22 ARG A 83 -15.730 -3.268 -0.761 1.00 43.24 H new ATOM 1305 N LEU A 84 -12.839 3.306 1.924 1.00 61.31 N ATOM 1306 CA LEU A 84 -13.651 4.018 2.903 1.00 32.23 C ATOM 1307 C LEU A 84 -12.782 4.605 3.998 1.00 64.52 C ATOM 1308 O LEU A 84 -13.278 5.076 5.022 1.00 64.42 O ATOM 1309 CB LEU A 84 -14.708 3.093 3.509 1.00 72.41 C ATOM 1310 CG LEU A 84 -15.762 2.568 2.533 1.00 35.42 C ATOM 1311 CD1 LEU A 84 -16.752 1.675 3.262 1.00 31.13 C ATOM 1312 CD2 LEU A 84 -16.486 3.719 1.848 1.00 1.54 C ATOM 0 H LEU A 84 -12.398 2.456 2.275 1.00 61.31 H new ATOM 0 HA LEU A 84 -14.158 4.833 2.387 1.00 32.23 H new ATOM 0 HB2 LEU A 84 -14.202 2.241 3.963 1.00 72.41 H new ATOM 0 HB3 LEU A 84 -15.216 3.627 4.312 1.00 72.41 H new ATOM 0 HG LEU A 84 -15.259 1.980 1.765 1.00 35.42 H new ATOM 0 HD11 LEU A 84 -17.498 1.307 2.557 1.00 31.13 H new ATOM 0 HD12 LEU A 84 -16.223 0.831 3.704 1.00 31.13 H new ATOM 0 HD13 LEU A 84 -17.246 2.246 4.048 1.00 31.13 H new ATOM 0 HD21 LEU A 84 -17.231 3.321 1.159 1.00 1.54 H new ATOM 0 HD22 LEU A 84 -16.979 4.337 2.599 1.00 1.54 H new ATOM 0 HD23 LEU A 84 -15.767 4.324 1.296 1.00 1.54 H new ATOM 1324 N GLU A 85 -11.484 4.583 3.749 1.00 53.14 N ATOM 1325 CA GLU A 85 -10.485 5.074 4.696 1.00 24.53 C ATOM 1326 C GLU A 85 -10.676 4.434 6.072 1.00 55.23 C ATOM 1327 O GLU A 85 -11.244 3.342 6.192 1.00 43.32 O ATOM 1328 CB GLU A 85 -10.566 6.600 4.804 1.00 25.24 C ATOM 1329 CG GLU A 85 -10.416 7.310 3.468 1.00 25.01 C ATOM 1330 CD GLU A 85 -10.489 8.816 3.595 1.00 13.51 C ATOM 1331 OE1 GLU A 85 -11.523 9.328 4.072 1.00 14.33 O ATOM 1332 OE2 GLU A 85 -9.511 9.495 3.222 1.00 24.31 O ATOM 0 H GLU A 85 -11.087 4.223 2.881 1.00 53.14 H new ATOM 0 HA GLU A 85 -9.498 4.797 4.327 1.00 24.53 H new ATOM 0 HB2 GLU A 85 -11.523 6.875 5.247 1.00 25.24 H new ATOM 0 HB3 GLU A 85 -9.788 6.950 5.482 1.00 25.24 H new ATOM 0 HG2 GLU A 85 -9.462 7.033 3.019 1.00 25.01 H new ATOM 0 HG3 GLU A 85 -11.198 6.968 2.790 1.00 25.01 H new ATOM 1339 N HIS A 86 -10.176 5.098 7.102 1.00 34.42 N ATOM 1340 CA HIS A 86 -10.394 4.668 8.476 1.00 4.11 C ATOM 1341 C HIS A 86 -10.102 5.809 9.434 1.00 22.52 C ATOM 1342 O HIS A 86 -8.988 5.943 9.940 1.00 2.52 O ATOM 1343 CB HIS A 86 -9.535 3.446 8.822 1.00 65.04 C ATOM 1344 CG HIS A 86 -10.341 2.215 9.122 1.00 62.42 C ATOM 1345 ND1 HIS A 86 -10.851 1.389 8.144 1.00 60.50 N ATOM 1346 CD2 HIS A 86 -10.722 1.671 10.303 1.00 63.21 C ATOM 1347 CE1 HIS A 86 -11.510 0.394 8.710 1.00 11.25 C ATOM 1348 NE2 HIS A 86 -11.447 0.542 10.019 1.00 42.13 N ATOM 0 H HIS A 86 -9.612 5.943 7.012 1.00 34.42 H new ATOM 0 HA HIS A 86 -11.440 4.378 8.577 1.00 4.11 H new ATOM 0 HB2 HIS A 86 -8.862 3.237 7.990 1.00 65.04 H new ATOM 0 HB3 HIS A 86 -8.912 3.682 9.684 1.00 65.04 H new ATOM 0 HD1 HIS A 86 -10.737 1.525 7.139 1.00 60.50 H new ATOM 0 HD2 HIS A 86 -10.496 2.056 11.287 1.00 63.21 H new ATOM 0 HE1 HIS A 86 -12.015 -0.406 8.189 1.00 11.25 H new ATOM 1357 N HIS A 87 -11.098 6.654 9.650 1.00 71.21 N ATOM 1358 CA HIS A 87 -10.957 7.781 10.560 1.00 74.03 C ATOM 1359 C HIS A 87 -11.283 7.328 11.975 1.00 21.51 C ATOM 1360 O HIS A 87 -12.258 6.606 12.188 1.00 74.42 O ATOM 1361 CB HIS A 87 -11.879 8.938 10.152 1.00 25.41 C ATOM 1362 CG HIS A 87 -11.620 9.477 8.775 1.00 20.32 C ATOM 1363 ND1 HIS A 87 -10.963 10.666 8.538 1.00 53.31 N ATOM 1364 CD2 HIS A 87 -11.950 8.986 7.556 1.00 4.04 C ATOM 1365 CE1 HIS A 87 -10.903 10.881 7.236 1.00 20.21 C ATOM 1366 NE2 HIS A 87 -11.493 9.878 6.622 1.00 44.11 N ATOM 0 H HIS A 87 -12.014 6.581 9.207 1.00 71.21 H new ATOM 0 HA HIS A 87 -9.929 8.140 10.516 1.00 74.03 H new ATOM 0 HB2 HIS A 87 -12.914 8.600 10.209 1.00 25.41 H new ATOM 0 HB3 HIS A 87 -11.768 9.748 10.873 1.00 25.41 H new ATOM 0 HD2 HIS A 87 -12.475 8.063 7.358 1.00 4.04 H new ATOM 0 HE1 HIS A 87 -10.447 11.735 6.757 1.00 20.21 H new ATOM 0 HE2 HIS A 87 -11.594 9.780 5.612 1.00 44.11 H new ATOM 1375 N HIS A 88 -10.461 7.724 12.932 1.00 24.35 N ATOM 1376 CA HIS A 88 -10.637 7.280 14.307 1.00 22.44 C ATOM 1377 C HIS A 88 -10.806 8.449 15.265 1.00 62.21 C ATOM 1378 O HIS A 88 -9.927 9.302 15.389 1.00 22.40 O ATOM 1379 CB HIS A 88 -9.459 6.419 14.763 1.00 31.13 C ATOM 1380 CG HIS A 88 -9.393 5.077 14.106 1.00 75.55 C ATOM 1381 ND1 HIS A 88 -10.205 4.026 14.468 1.00 25.12 N ATOM 1382 CD2 HIS A 88 -8.603 4.614 13.111 1.00 25.23 C ATOM 1383 CE1 HIS A 88 -9.916 2.975 13.726 1.00 21.13 C ATOM 1384 NE2 HIS A 88 -8.947 3.303 12.892 1.00 63.24 N ATOM 0 H HIS A 88 -9.668 8.349 12.785 1.00 24.35 H new ATOM 0 HA HIS A 88 -11.549 6.683 14.326 1.00 22.44 H new ATOM 0 HB2 HIS A 88 -8.532 6.956 14.563 1.00 31.13 H new ATOM 0 HB3 HIS A 88 -9.520 6.281 15.842 1.00 31.13 H new ATOM 0 HD2 HIS A 88 -7.842 5.172 12.586 1.00 25.23 H new ATOM 0 HE1 HIS A 88 -10.392 2.008 13.790 1.00 21.13 H new ATOM 0 HE2 HIS A 88 -8.524 2.685 12.200 1.00 63.24 H new ATOM 1393 N HIS A 89 -11.951 8.481 15.922 1.00 32.01 N ATOM 1394 CA HIS A 89 -12.184 9.400 17.025 1.00 11.02 C ATOM 1395 C HIS A 89 -12.839 8.636 18.173 1.00 32.30 C ATOM 1396 O HIS A 89 -13.111 9.190 19.239 1.00 62.23 O ATOM 1397 CB HIS A 89 -13.062 10.578 16.584 1.00 64.42 C ATOM 1398 CG HIS A 89 -13.086 11.708 17.571 1.00 63.04 C ATOM 1399 ND1 HIS A 89 -14.241 12.344 17.969 1.00 54.30 N ATOM 1400 CD2 HIS A 89 -12.079 12.314 18.241 1.00 43.41 C ATOM 1401 CE1 HIS A 89 -13.943 13.290 18.840 1.00 3.44 C ATOM 1402 NE2 HIS A 89 -12.637 13.292 19.025 1.00 24.31 N ATOM 0 H HIS A 89 -12.743 7.875 15.709 1.00 32.01 H new ATOM 0 HA HIS A 89 -11.232 9.813 17.358 1.00 11.02 H new ATOM 0 HB2 HIS A 89 -12.701 10.951 15.625 1.00 64.42 H new ATOM 0 HB3 HIS A 89 -14.080 10.223 16.425 1.00 64.42 H new ATOM 0 HD2 HIS A 89 -11.029 12.072 18.172 1.00 43.41 H new ATOM 0 HE1 HIS A 89 -14.649 13.951 19.320 1.00 3.44 H new ATOM 0 HE2 HIS A 89 -12.126 13.917 19.648 1.00 24.31 H new ATOM 1411 N HIS A 90 -13.089 7.355 17.930 1.00 74.00 N ATOM 1412 CA HIS A 90 -13.664 6.465 18.928 1.00 70.41 C ATOM 1413 C HIS A 90 -13.462 5.013 18.500 1.00 0.32 C ATOM 1414 O HIS A 90 -13.544 4.692 17.313 1.00 3.40 O ATOM 1415 CB HIS A 90 -15.160 6.757 19.119 1.00 43.42 C ATOM 1416 CG HIS A 90 -15.828 5.848 20.108 1.00 13.11 C ATOM 1417 ND1 HIS A 90 -16.729 4.871 19.745 1.00 72.30 N ATOM 1418 CD2 HIS A 90 -15.714 5.767 21.454 1.00 21.55 C ATOM 1419 CE1 HIS A 90 -17.134 4.227 20.824 1.00 44.43 C ATOM 1420 NE2 HIS A 90 -16.533 4.751 21.873 1.00 0.30 N ATOM 0 H HIS A 90 -12.898 6.905 17.035 1.00 74.00 H new ATOM 0 HA HIS A 90 -13.159 6.634 19.879 1.00 70.41 H new ATOM 0 HB2 HIS A 90 -15.281 7.789 19.448 1.00 43.42 H new ATOM 0 HB3 HIS A 90 -15.665 6.667 18.157 1.00 43.42 H new ATOM 0 HD2 HIS A 90 -15.093 6.388 22.082 1.00 21.55 H new ATOM 0 HE1 HIS A 90 -17.839 3.409 20.844 1.00 44.43 H new ATOM 0 HE2 HIS A 90 -16.657 4.450 22.840 1.00 0.30 H new ATOM 1429 N HIS A 91 -13.181 4.148 19.462 1.00 43.25 N ATOM 1430 CA HIS A 91 -13.026 2.725 19.193 1.00 74.11 C ATOM 1431 C HIS A 91 -14.216 1.959 19.757 1.00 4.34 C ATOM 1432 O HIS A 91 -14.219 1.680 20.972 1.00 37.13 O ATOM 1433 CB HIS A 91 -11.719 2.203 19.806 1.00 23.10 C ATOM 1434 CG HIS A 91 -11.457 0.751 19.545 1.00 24.13 C ATOM 1435 ND1 HIS A 91 -11.504 -0.208 20.530 1.00 15.54 N ATOM 1436 CD2 HIS A 91 -11.120 0.100 18.408 1.00 45.11 C ATOM 1437 CE1 HIS A 91 -11.210 -1.385 20.014 1.00 1.12 C ATOM 1438 NE2 HIS A 91 -10.972 -1.228 18.723 1.00 64.31 N ATOM 1439 OXT HIS A 91 -15.141 1.649 18.982 1.00 37.13 O ATOM 0 H HIS A 91 -13.055 4.407 20.440 1.00 43.25 H new ATOM 0 HA HIS A 91 -12.985 2.573 18.114 1.00 74.11 H new ATOM 0 HB2 HIS A 91 -10.887 2.787 19.413 1.00 23.10 H new ATOM 0 HB3 HIS A 91 -11.744 2.369 20.883 1.00 23.10 H new ATOM 0 HD2 HIS A 91 -10.991 0.544 17.432 1.00 45.11 H new ATOM 0 HE1 HIS A 91 -11.170 -2.319 20.554 1.00 1.12 H new ATOM 0 HE2 HIS A 91 -10.720 -1.970 18.070 1.00 64.31 H new TER 1448 HIS A 91