USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 924 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 93 ASN : amide:sc= 0.803 K(o=0.96,f=-3.2!) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.155 K(o=0.96,f=-3.2) USER MOD Set 1.3: A 100 THR OG1 : rot 180:sc= 0.00228 USER MOD Set 2.1: A 91 THR OG1 : rot -58:sc= 0.495 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.0452 X(o=0.54,f=0.12) USER MOD Set 3.1: A 75 ASN : amide:sc= 0.115 K(o=-0.19,f=-4.2) USER MOD Set 3.2: A 77 LYS NZ :NH3+ -163:sc= -0.308! (180deg=-0.558!) USER MOD Set 4.1: A 67 LYS NZ :NH3+ -133:sc= 1.89 (180deg=0.322) USER MOD Set 4.2: A 71 TYR OH : rot -124:sc= 1.13 USER MOD Set 5.1: A 60 SER OG : rot -12:sc= 0.182 USER MOD Set 5.2: A 63 LYS NZ :NH3+ -142:sc= 1.29 (180deg=-0.337!) USER MOD Set 6.1: A 44 LYS NZ :NH3+ 154:sc= 0.89 (180deg=1.14) USER MOD Set 6.2: A 85 SER OG : rot -11:sc= 0.986 USER MOD Set 7.1: A 18 LYS NZ :NH3+ -154:sc= 2.17 (180deg=-0.801) USER MOD Set 7.2: A 73 GLN : amide:sc= -1.48! C(o=0.69!,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 1.32 (180deg=0.113) USER MOD Single : A 23 ASN : amide:sc= 1.2 K(o=1.2,f=-1.4) USER MOD Single : A 27 TYR OH : rot 130:sc= -0.695 USER MOD Single : A 29 CYS SG : rot -24:sc= -0.622 USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= 1.37 (180deg=-1.12!) USER MOD Single : A 37 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 40 HIS : no HD1:sc= -0.615 X(o=-0.62,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0.467 (180deg=-0.359) USER MOD Single : A 48 SER OG : rot -71:sc= 1.89 USER MOD Single : A 52 THR OG1 : rot -78:sc= 2.17 USER MOD Single : A 56 SER OG : rot 87:sc= 1.51 USER MOD Single : A 57 CYS SG : rot -22:sc= 0.00285 USER MOD Single : A 59 THR OG1 : rot 102:sc= 2.18 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -1.11 (180deg=-3.33!) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= 0.952 (180deg=-0.181) USER MOD Single : A 105 LYS NZ :NH3+ -127:sc= -1.33 (180deg=-1.9!) USER MOD Single : A 108 ASN : amide:sc= -1.59 K(o=-1.6,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -108:sc= -0.187 (180deg=-2.06!) USER MOD Single : A 113 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.3!) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= 1.19 (180deg=-0.645!) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -19.365 -3.197 5.186 1.00 0.00 N ATOM 32 CA ASP A 12 -19.260 -3.511 3.780 1.00 0.00 C ATOM 33 C ASP A 12 -18.273 -2.580 3.073 1.00 0.00 C ATOM 34 O ASP A 12 -17.629 -2.980 2.120 1.00 0.00 O ATOM 35 CB ASP A 12 -20.669 -3.479 3.120 1.00 0.00 C ATOM 36 CG ASP A 12 -21.452 -2.186 3.386 1.00 0.00 C ATOM 37 OD1 ASP A 12 -21.591 -1.797 4.587 1.00 0.00 O1- ATOM 38 OD2 ASP A 12 -21.919 -1.539 2.427 1.00 0.00 O ATOM 0 HA ASP A 12 -18.863 -4.521 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.558 -3.610 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.250 -4.326 3.486 1.00 0.00 H new ATOM 43 N LEU A 13 -18.126 -1.345 3.568 1.00 0.00 N ATOM 44 CA LEU A 13 -17.105 -0.417 3.021 1.00 0.00 C ATOM 45 C LEU A 13 -15.818 -0.653 3.752 1.00 0.00 C ATOM 46 O LEU A 13 -14.805 -0.098 3.412 1.00 0.00 O ATOM 47 CB LEU A 13 -17.394 1.129 3.165 1.00 0.00 C ATOM 48 CG LEU A 13 -18.630 1.746 2.582 1.00 0.00 C ATOM 49 CD1 LEU A 13 -19.798 1.175 3.243 1.00 0.00 C ATOM 50 CD2 LEU A 13 -18.623 3.229 2.876 1.00 0.00 C ATOM 0 H LEU A 13 -18.684 -0.962 4.331 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.091 -0.638 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.399 1.354 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -16.542 1.654 2.732 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.659 1.562 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.704 1.616 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -19.814 0.097 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.750 1.385 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.518 3.687 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.607 3.386 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -17.739 3.684 2.430 1.00 0.00 H new ATOM 62 N THR A 14 -15.868 -1.358 4.840 1.00 0.00 N ATOM 63 CA THR A 14 -14.676 -1.552 5.573 1.00 0.00 C ATOM 64 C THR A 14 -13.806 -2.778 5.363 1.00 0.00 C ATOM 65 O THR A 14 -12.570 -2.648 5.253 1.00 0.00 O ATOM 66 CB THR A 14 -14.603 -0.829 6.888 1.00 0.00 C ATOM 67 OG1 THR A 14 -15.816 -1.091 7.630 1.00 0.00 O ATOM 68 CG2 THR A 14 -14.528 0.647 6.550 1.00 0.00 C ATOM 0 H THR A 14 -16.705 -1.796 5.226 1.00 0.00 H new ATOM 0 HA THR A 14 -14.011 -0.986 4.920 1.00 0.00 H new ATOM 0 HB THR A 14 -13.748 -1.146 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.779 -0.625 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.473 1.229 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.641 0.837 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.417 0.938 5.990 1.00 0.00 H new ATOM 76 N GLU A 15 -14.429 -3.972 5.262 1.00 0.00 N ATOM 77 CA GLU A 15 -13.666 -5.218 4.996 1.00 0.00 C ATOM 78 C GLU A 15 -12.914 -5.060 3.673 1.00 0.00 C ATOM 79 O GLU A 15 -11.807 -5.578 3.483 1.00 0.00 O ATOM 80 CB GLU A 15 -14.589 -6.431 4.862 1.00 0.00 C ATOM 81 CG GLU A 15 -15.519 -6.713 6.026 1.00 0.00 C ATOM 82 CD GLU A 15 -16.368 -7.947 5.760 1.00 0.00 C ATOM 83 OE1 GLU A 15 -16.905 -8.078 4.636 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -16.475 -8.831 6.641 1.00 0.00 O ATOM 0 H GLU A 15 -15.436 -4.103 5.358 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.988 -5.380 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.196 -6.299 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.970 -7.313 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.936 -6.858 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.166 -5.852 6.196 1.00 0.00 H new ATOM 91 N VAL A 16 -13.542 -4.295 2.789 1.00 0.00 N ATOM 92 CA VAL A 16 -13.039 -3.965 1.474 1.00 0.00 C ATOM 93 C VAL A 16 -11.662 -3.378 1.426 1.00 0.00 C ATOM 94 O VAL A 16 -11.075 -3.379 0.380 1.00 0.00 O ATOM 95 CB VAL A 16 -13.956 -3.153 0.621 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.225 -3.912 0.277 1.00 0.00 C ATOM 97 CG2 VAL A 16 -14.230 -1.921 1.313 1.00 0.00 C ATOM 0 H VAL A 16 -14.451 -3.874 2.982 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.979 -4.964 1.042 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.479 -2.935 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.866 -3.287 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.969 -4.822 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.753 -4.173 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.899 -1.307 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.701 -2.139 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.297 -1.383 1.481 1.00 0.00 H new ATOM 107 N LYS A 17 -11.183 -2.740 2.513 1.00 0.00 N ATOM 108 CA LYS A 17 -9.853 -2.124 2.465 1.00 0.00 C ATOM 109 C LYS A 17 -8.774 -3.146 2.007 1.00 0.00 C ATOM 110 O LYS A 17 -7.772 -2.766 1.468 1.00 0.00 O ATOM 111 CB LYS A 17 -9.443 -1.434 3.780 1.00 0.00 C ATOM 112 CG LYS A 17 -8.361 -0.363 3.548 1.00 0.00 C ATOM 113 CD LYS A 17 -7.837 0.288 4.826 1.00 0.00 C ATOM 114 CE LYS A 17 -6.909 -0.631 5.601 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.319 0.054 6.769 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.678 -2.642 3.399 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.920 -1.331 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.319 -0.974 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.072 -2.180 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.525 -0.817 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.768 0.413 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.307 1.206 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.678 0.570 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.461 -1.510 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.113 -0.984 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.545 -0.523 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.948 0.981 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.048 0.187 7.498 1.00 0.00 H new ATOM 129 N LYS A 18 -9.037 -4.442 2.209 1.00 0.00 N ATOM 130 CA LYS A 18 -8.189 -5.529 1.680 1.00 0.00 C ATOM 131 C LYS A 18 -8.150 -5.401 0.150 1.00 0.00 C ATOM 132 O LYS A 18 -7.082 -5.244 -0.440 1.00 0.00 O ATOM 133 CB LYS A 18 -8.832 -6.876 2.085 1.00 0.00 C ATOM 134 CG LYS A 18 -8.125 -8.179 1.656 1.00 0.00 C ATOM 135 CD LYS A 18 -6.795 -8.408 2.377 1.00 0.00 C ATOM 136 CE LYS A 18 -5.582 -7.998 1.554 1.00 0.00 C ATOM 137 NZ LYS A 18 -5.429 -8.808 0.316 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.841 -4.772 2.742 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.175 -5.475 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.923 -6.888 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.844 -6.897 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.786 -9.024 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.948 -8.152 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.796 -7.848 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.708 -9.463 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.669 -6.945 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.684 -8.099 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.429 -8.823 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.752 -9.780 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.999 -8.388 -0.446 1.00 0.00 H new ATOM 151 N ASP A 19 -9.336 -5.396 -0.431 1.00 0.00 N ATOM 152 CA ASP A 19 -9.588 -5.275 -1.873 1.00 0.00 C ATOM 153 C ASP A 19 -9.060 -3.926 -2.376 1.00 0.00 C ATOM 154 O ASP A 19 -8.465 -3.820 -3.435 1.00 0.00 O ATOM 155 CB ASP A 19 -11.116 -5.302 -2.133 1.00 0.00 C ATOM 156 CG ASP A 19 -11.868 -6.397 -1.385 1.00 0.00 C ATOM 157 OD1 ASP A 19 -11.860 -6.397 -0.117 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -12.526 -7.238 -2.006 1.00 0.00 O ATOM 0 H ASP A 19 -10.198 -5.480 0.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.092 -6.099 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.536 -4.336 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.287 -5.427 -3.202 1.00 0.00 H new ATOM 163 N ALA A 20 -9.282 -2.892 -1.588 1.00 0.00 N ATOM 164 CA ALA A 20 -8.849 -1.544 -1.929 1.00 0.00 C ATOM 165 C ALA A 20 -7.331 -1.439 -1.960 1.00 0.00 C ATOM 166 O ALA A 20 -6.762 -0.668 -2.730 1.00 0.00 O ATOM 167 CB ALA A 20 -9.432 -0.526 -0.960 1.00 0.00 C ATOM 0 H ALA A 20 -9.767 -2.959 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.222 -1.323 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.094 0.473 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.520 -0.566 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.099 -0.755 0.052 1.00 0.00 H new ATOM 173 N LEU A 21 -6.667 -2.236 -1.148 1.00 0.00 N ATOM 174 CA LEU A 21 -5.225 -2.218 -1.111 1.00 0.00 C ATOM 175 C LEU A 21 -4.641 -2.942 -2.304 1.00 0.00 C ATOM 176 O LEU A 21 -3.462 -2.743 -2.633 1.00 0.00 O ATOM 177 CB LEU A 21 -4.665 -2.763 0.198 1.00 0.00 C ATOM 178 CG LEU A 21 -5.034 -1.994 1.471 1.00 0.00 C ATOM 179 CD1 LEU A 21 -4.349 -2.585 2.661 1.00 0.00 C ATOM 180 CD2 LEU A 21 -4.731 -0.517 1.364 1.00 0.00 C ATOM 0 H LEU A 21 -7.103 -2.900 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.922 -1.172 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.003 -3.793 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.578 -2.791 0.119 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.112 -2.090 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.624 -2.025 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.654 -3.625 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.269 -2.537 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.011 -0.020 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.665 -0.376 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.298 -0.088 0.537 1.00 0.00 H new ATOM 192 N GLU A 22 -5.459 -3.775 -2.966 1.00 0.00 N ATOM 193 CA GLU A 22 -5.029 -4.419 -4.196 1.00 0.00 C ATOM 194 C GLU A 22 -4.800 -3.294 -5.208 1.00 0.00 C ATOM 195 O GLU A 22 -3.786 -3.257 -5.915 1.00 0.00 O ATOM 196 CB GLU A 22 -6.098 -5.384 -4.765 1.00 0.00 C ATOM 197 CG GLU A 22 -6.729 -6.380 -3.778 1.00 0.00 C ATOM 198 CD GLU A 22 -5.755 -7.267 -3.049 1.00 0.00 C ATOM 199 OE1 GLU A 22 -4.729 -7.648 -3.631 1.00 0.00 O ATOM 200 OE2 GLU A 22 -6.020 -7.605 -1.862 1.00 0.00 O1- ATOM 0 H GLU A 22 -6.406 -4.010 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.135 -5.012 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.898 -4.786 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.645 -5.952 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.307 -5.821 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.432 -7.010 -4.323 1.00 0.00 H new ATOM 207 N ASN A 23 -5.751 -2.345 -5.211 1.00 0.00 N ATOM 208 CA ASN A 23 -5.702 -1.140 -6.045 1.00 0.00 C ATOM 209 C ASN A 23 -4.470 -0.312 -5.713 1.00 0.00 C ATOM 210 O ASN A 23 -3.789 0.178 -6.618 1.00 0.00 O ATOM 211 CB ASN A 23 -6.981 -0.269 -5.887 1.00 0.00 C ATOM 212 CG ASN A 23 -8.246 -0.900 -6.461 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.383 -2.113 -6.513 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.188 -0.080 -6.875 1.00 0.00 N ATOM 0 H ASN A 23 -6.585 -2.397 -4.626 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.649 -1.470 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.139 -0.065 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.815 0.691 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.060 -0.453 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.047 0.929 -6.820 1.00 0.00 H new ATOM 221 N LEU A 24 -4.179 -0.155 -4.411 1.00 0.00 N ATOM 222 CA LEU A 24 -2.972 0.566 -3.965 1.00 0.00 C ATOM 223 C LEU A 24 -1.715 -0.039 -4.520 1.00 0.00 C ATOM 224 O LEU A 24 -0.891 0.665 -5.075 1.00 0.00 O ATOM 225 CB LEU A 24 -2.857 0.661 -2.458 1.00 0.00 C ATOM 226 CG LEU A 24 -3.470 1.895 -1.825 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.959 1.908 -1.948 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.034 2.034 -0.406 1.00 0.00 C ATOM 0 H LEU A 24 -4.758 -0.515 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.088 1.576 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.327 -0.220 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.801 0.625 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.105 2.762 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.355 2.810 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.237 1.893 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.373 1.030 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.486 2.926 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.349 1.156 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.948 2.121 -0.366 1.00 0.00 H new ATOM 240 N ARG A 25 -1.592 -1.348 -4.410 1.00 0.00 N ATOM 241 CA ARG A 25 -0.426 -2.067 -4.918 1.00 0.00 C ATOM 242 C ARG A 25 -0.221 -1.806 -6.439 1.00 0.00 C ATOM 243 O ARG A 25 0.895 -1.860 -6.942 1.00 0.00 O ATOM 244 CB ARG A 25 -0.570 -3.572 -4.627 1.00 0.00 C ATOM 245 CG ARG A 25 0.548 -4.435 -5.233 1.00 0.00 C ATOM 246 CD ARG A 25 0.075 -5.851 -5.596 1.00 0.00 C ATOM 247 NE ARG A 25 -0.162 -6.739 -4.454 1.00 0.00 N ATOM 248 CZ ARG A 25 -1.347 -7.189 -4.028 1.00 0.00 C ATOM 249 NH1 ARG A 25 -2.481 -6.682 -4.499 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 -1.377 -8.151 -3.134 1.00 0.00 N ATOM 0 H ARG A 25 -2.291 -1.946 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 25 0.461 -1.696 -4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.587 -3.723 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.530 -3.916 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.935 -3.946 -6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.373 -4.503 -4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.846 -5.773 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.820 -6.311 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 25 0.659 -7.044 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.456 -5.938 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.376 -7.037 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.506 -8.542 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.272 -8.507 -2.797 1.00 0.00 H new ATOM 264 N VAL A 26 -1.302 -1.492 -7.140 1.00 0.00 N ATOM 265 CA VAL A 26 -1.233 -1.211 -8.565 1.00 0.00 C ATOM 266 C VAL A 26 -0.957 0.286 -8.846 1.00 0.00 C ATOM 267 O VAL A 26 0.117 0.638 -9.338 1.00 0.00 O ATOM 268 CB VAL A 26 -2.526 -1.660 -9.307 1.00 0.00 C ATOM 269 CG1 VAL A 26 -2.438 -1.360 -10.804 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.791 -3.145 -9.078 1.00 0.00 C ATOM 0 H VAL A 26 -2.239 -1.426 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.395 -1.792 -8.950 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.359 -1.090 -8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.355 -1.685 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.307 -0.288 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.589 -1.893 -11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.699 -3.438 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.949 -3.727 -9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.914 -3.332 -8.011 1.00 0.00 H new ATOM 280 N TYR A 27 -1.901 1.167 -8.488 1.00 0.00 N ATOM 281 CA TYR A 27 -1.775 2.588 -8.854 1.00 0.00 C ATOM 282 C TYR A 27 -0.766 3.350 -8.014 1.00 0.00 C ATOM 283 O TYR A 27 -0.176 4.315 -8.480 1.00 0.00 O ATOM 284 CB TYR A 27 -3.137 3.344 -8.923 1.00 0.00 C ATOM 285 CG TYR A 27 -3.995 3.356 -7.656 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.453 3.624 -6.400 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.353 3.106 -7.734 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.224 3.632 -5.273 1.00 0.00 C ATOM 289 CE2 TYR A 27 -6.145 3.124 -6.609 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.582 3.380 -5.381 1.00 0.00 C ATOM 291 OH TYR A 27 -6.380 3.415 -4.270 1.00 0.00 O ATOM 0 H TYR A 27 -2.741 0.932 -7.959 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.380 2.559 -9.870 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.936 4.378 -9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.727 2.904 -9.727 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.396 3.831 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.799 2.893 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.780 3.832 -4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.206 2.938 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.161 3.980 -4.446 1.00 0.00 H new ATOM 301 N LEU A 28 -0.559 2.929 -6.784 1.00 0.00 N ATOM 302 CA LEU A 28 0.383 3.615 -5.956 1.00 0.00 C ATOM 303 C LEU A 28 1.785 3.310 -6.405 1.00 0.00 C ATOM 304 O LEU A 28 2.599 4.206 -6.483 1.00 0.00 O ATOM 305 CB LEU A 28 0.174 3.382 -4.438 1.00 0.00 C ATOM 306 CG LEU A 28 -0.846 4.246 -3.692 1.00 0.00 C ATOM 307 CD1 LEU A 28 -0.675 4.057 -2.197 1.00 0.00 C ATOM 308 CD2 LEU A 28 -0.703 5.703 -4.054 1.00 0.00 C ATOM 0 H LEU A 28 -1.024 2.131 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 28 0.205 4.683 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.114 2.340 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.139 3.514 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.846 3.929 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.402 4.673 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.833 3.009 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.333 4.353 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.442 6.288 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.298 6.046 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.861 5.829 -5.125 1.00 0.00 H new ATOM 320 N CYS A 29 2.031 2.059 -6.813 1.00 0.00 N ATOM 321 CA CYS A 29 3.354 1.617 -7.314 1.00 0.00 C ATOM 322 C CYS A 29 3.768 2.390 -8.582 1.00 0.00 C ATOM 323 O CYS A 29 4.935 2.348 -9.013 1.00 0.00 O ATOM 324 CB CYS A 29 3.348 0.104 -7.598 1.00 0.00 C ATOM 325 SG CYS A 29 4.889 -0.520 -8.320 1.00 0.00 S ATOM 0 H CYS A 29 1.327 1.321 -6.808 1.00 0.00 H new ATOM 0 HA CYS A 29 4.086 1.830 -6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.154 -0.429 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.524 -0.125 -8.274 1.00 0.00 H new ATOM 0 HG CYS A 29 5.510 0.450 -8.922 1.00 0.00 H new ATOM 331 N GLU A 30 2.809 3.061 -9.183 1.00 0.00 N ATOM 332 CA GLU A 30 3.039 3.858 -10.353 1.00 0.00 C ATOM 333 C GLU A 30 3.836 5.124 -9.953 1.00 0.00 C ATOM 334 O GLU A 30 4.597 5.683 -10.755 1.00 0.00 O ATOM 335 CB GLU A 30 1.680 4.237 -10.967 1.00 0.00 C ATOM 336 CG GLU A 30 1.585 4.102 -12.483 1.00 0.00 C ATOM 337 CD GLU A 30 2.564 4.966 -13.214 1.00 0.00 C ATOM 338 OE1 GLU A 30 2.288 6.161 -13.384 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 3.645 4.457 -13.597 1.00 0.00 O ATOM 0 H GLU A 30 1.840 3.064 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 30 3.617 3.302 -11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.910 3.612 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.453 5.268 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.752 3.061 -12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.575 4.359 -12.802 1.00 0.00 H new ATOM 346 N LYS A 31 3.637 5.588 -8.722 1.00 0.00 N ATOM 347 CA LYS A 31 4.323 6.782 -8.246 1.00 0.00 C ATOM 348 C LYS A 31 5.181 6.587 -6.991 1.00 0.00 C ATOM 349 O LYS A 31 6.180 7.282 -6.817 1.00 0.00 O ATOM 350 CB LYS A 31 3.372 7.988 -8.146 1.00 0.00 C ATOM 351 CG LYS A 31 2.895 8.456 -9.501 1.00 0.00 C ATOM 352 CD LYS A 31 4.031 9.128 -10.229 1.00 0.00 C ATOM 353 CE LYS A 31 3.790 9.243 -11.730 1.00 0.00 C ATOM 354 NZ LYS A 31 3.810 7.914 -12.395 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.011 5.158 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 31 5.057 7.008 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.511 7.719 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.881 8.808 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.527 7.610 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.062 9.149 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.183 10.124 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.949 8.567 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.828 9.724 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.553 9.883 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.469 7.938 -13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.119 7.190 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.855 7.682 -12.737 1.00 0.00 H new ATOM 368 N ILE A 32 4.813 5.665 -6.122 1.00 0.00 N ATOM 369 CA ILE A 32 5.581 5.466 -4.910 1.00 0.00 C ATOM 370 C ILE A 32 6.806 4.600 -5.172 1.00 0.00 C ATOM 371 O ILE A 32 6.709 3.381 -5.367 1.00 0.00 O ATOM 372 CB ILE A 32 4.746 4.887 -3.680 1.00 0.00 C ATOM 373 CG1 ILE A 32 5.631 4.808 -2.421 1.00 0.00 C ATOM 374 CG2 ILE A 32 4.128 3.510 -3.961 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.940 4.170 -1.231 1.00 0.00 C ATOM 0 H ILE A 32 4.004 5.054 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 32 5.895 6.466 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 32 3.921 5.581 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.531 4.240 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.951 5.814 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.574 3.174 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.451 3.582 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.919 2.795 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.623 4.149 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.055 4.750 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.644 3.152 -1.485 1.00 0.00 H new ATOM 387 N ILE A 33 7.960 5.207 -5.256 1.00 0.00 N ATOM 388 CA ILE A 33 9.106 4.380 -5.307 1.00 0.00 C ATOM 389 C ILE A 33 9.452 4.055 -3.868 1.00 0.00 C ATOM 390 O ILE A 33 9.667 4.959 -3.032 1.00 0.00 O ATOM 391 CB ILE A 33 10.316 5.079 -6.007 1.00 0.00 C ATOM 392 CG1 ILE A 33 9.955 5.505 -7.450 1.00 0.00 C ATOM 393 CG2 ILE A 33 11.559 4.181 -6.004 1.00 0.00 C ATOM 394 CD1 ILE A 33 9.509 4.369 -8.363 1.00 0.00 C ATOM 0 H ILE A 33 8.117 6.214 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 33 8.896 3.486 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 33 10.549 5.977 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.160 6.249 -7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.822 5.992 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.382 4.697 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.840 3.952 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.340 3.255 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.278 4.766 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.309 3.633 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.621 3.894 -7.946 1.00 0.00 H new ATOM 406 N ALA A 34 9.520 2.798 -3.583 1.00 0.00 N ATOM 407 CA ALA A 34 9.855 2.330 -2.270 1.00 0.00 C ATOM 408 C ALA A 34 11.331 2.326 -2.085 1.00 0.00 C ATOM 409 O ALA A 34 11.846 2.932 -1.159 1.00 0.00 O ATOM 410 CB ALA A 34 9.304 0.960 -2.060 1.00 0.00 C ATOM 0 H ALA A 34 9.344 2.055 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 34 9.415 3.003 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.564 0.613 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.219 0.984 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.726 0.281 -2.801 1.00 0.00 H new ATOM 416 N GLU A 35 11.977 1.683 -3.045 1.00 0.00 N ATOM 417 CA GLU A 35 13.405 1.413 -3.106 1.00 0.00 C ATOM 418 C GLU A 35 14.287 2.520 -2.514 1.00 0.00 C ATOM 419 O GLU A 35 15.031 2.301 -1.595 1.00 0.00 O ATOM 420 CB GLU A 35 13.797 1.201 -4.565 1.00 0.00 C ATOM 421 CG GLU A 35 15.325 1.055 -4.735 1.00 0.00 C ATOM 422 CD GLU A 35 15.810 1.100 -6.154 1.00 0.00 C ATOM 423 OE1 GLU A 35 15.607 2.151 -6.854 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 16.370 0.104 -6.624 1.00 0.00 O ATOM 0 H GLU A 35 11.484 1.311 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 35 13.578 0.526 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.302 0.308 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.444 2.042 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.816 1.850 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.637 0.110 -4.290 1.00 0.00 H new ATOM 431 N ARG A 36 14.153 3.699 -3.037 1.00 0.00 N ATOM 432 CA ARG A 36 15.023 4.808 -2.690 1.00 0.00 C ATOM 433 C ARG A 36 14.736 5.436 -1.339 1.00 0.00 C ATOM 434 O ARG A 36 15.445 6.302 -0.881 1.00 0.00 O ATOM 435 CB ARG A 36 15.187 5.749 -3.859 1.00 0.00 C ATOM 436 CG ARG A 36 15.770 4.944 -5.001 1.00 0.00 C ATOM 437 CD ARG A 36 15.994 5.685 -6.275 1.00 0.00 C ATOM 438 NE ARG A 36 16.441 4.719 -7.291 1.00 0.00 N ATOM 439 CZ ARG A 36 17.173 4.974 -8.370 1.00 0.00 C ATOM 440 NH1 ARG A 36 17.557 6.226 -8.657 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 17.531 3.964 -9.162 1.00 0.00 N ATOM 0 H ARG A 36 13.435 3.933 -3.723 1.00 0.00 H new ATOM 0 HA ARG A 36 16.020 4.407 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.227 6.181 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.845 6.578 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.722 4.525 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.105 4.104 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.076 6.178 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.743 6.465 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 36 16.158 3.749 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.287 6.995 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.119 6.409 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.243 3.012 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.093 4.143 -9.994 1.00 0.00 H new ATOM 455 N HIS A 37 13.645 5.023 -0.748 1.00 0.00 N ATOM 456 CA HIS A 37 13.289 5.429 0.595 1.00 0.00 C ATOM 457 C HIS A 37 13.901 4.467 1.630 1.00 0.00 C ATOM 458 O HIS A 37 13.817 4.728 2.806 1.00 0.00 O ATOM 459 CB HIS A 37 11.757 5.502 0.791 1.00 0.00 C ATOM 460 CG HIS A 37 11.079 6.691 0.164 1.00 0.00 C ATOM 461 ND1 HIS A 37 10.247 6.613 -0.942 1.00 0.00 N ATOM 462 CD2 HIS A 37 11.058 7.995 0.544 1.00 0.00 C ATOM 463 CE1 HIS A 37 9.749 7.808 -1.205 1.00 0.00 C ATOM 464 NE2 HIS A 37 10.220 8.663 -0.322 1.00 0.00 N ATOM 0 H HIS A 37 12.972 4.392 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 37 13.694 6.430 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.312 4.595 0.382 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.545 5.507 1.860 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.050 5.764 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.599 8.428 1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.069 8.044 -2.010 1.00 0.00 H new ATOM 473 N PHE A 38 14.524 3.372 1.139 1.00 0.00 N ATOM 474 CA PHE A 38 15.055 2.200 1.930 1.00 0.00 C ATOM 475 C PHE A 38 15.679 2.536 3.304 1.00 0.00 C ATOM 476 O PHE A 38 15.429 1.811 4.301 1.00 0.00 O ATOM 477 CB PHE A 38 16.092 1.447 1.063 1.00 0.00 C ATOM 478 CG PHE A 38 16.750 0.235 1.685 1.00 0.00 C ATOM 479 CD1 PHE A 38 16.167 -1.017 1.590 1.00 0.00 C ATOM 480 CD2 PHE A 38 17.968 0.350 2.349 1.00 0.00 C ATOM 481 CE1 PHE A 38 16.780 -2.124 2.146 1.00 0.00 C ATOM 482 CE2 PHE A 38 18.580 -0.753 2.903 1.00 0.00 C ATOM 483 CZ PHE A 38 17.987 -1.992 2.803 1.00 0.00 C ATOM 0 H PHE A 38 14.686 3.260 0.138 1.00 0.00 H new ATOM 0 HA PHE A 38 14.184 1.589 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.600 1.132 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 38 16.875 2.151 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.224 -1.130 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.440 1.318 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 38 16.314 -3.095 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.525 -0.646 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.465 -2.858 3.237 1.00 0.00 H new ATOM 493 N ASP A 39 16.472 3.582 3.369 1.00 0.00 N ATOM 494 CA ASP A 39 17.168 3.951 4.604 1.00 0.00 C ATOM 495 C ASP A 39 16.197 4.625 5.572 1.00 0.00 C ATOM 496 O ASP A 39 16.133 4.284 6.747 1.00 0.00 O ATOM 497 CB ASP A 39 18.383 4.876 4.312 1.00 0.00 C ATOM 498 CG ASP A 39 17.985 6.242 3.788 1.00 0.00 C ATOM 499 OD1 ASP A 39 17.107 6.303 2.895 1.00 0.00 O1- ATOM 500 OD2 ASP A 39 18.459 7.268 4.320 1.00 0.00 O ATOM 0 H ASP A 39 16.659 4.202 2.581 1.00 0.00 H new ATOM 0 HA ASP A 39 17.550 3.040 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.964 5.000 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.033 4.391 3.584 1.00 0.00 H new ATOM 505 N HIS A 40 15.384 5.524 5.053 1.00 0.00 N ATOM 506 CA HIS A 40 14.425 6.272 5.863 1.00 0.00 C ATOM 507 C HIS A 40 13.202 5.428 6.145 1.00 0.00 C ATOM 508 O HIS A 40 12.457 5.687 7.063 1.00 0.00 O ATOM 509 CB HIS A 40 14.026 7.612 5.203 1.00 0.00 C ATOM 510 CG HIS A 40 15.194 8.505 4.918 1.00 0.00 C ATOM 511 ND1 HIS A 40 15.923 9.131 5.901 1.00 0.00 N ATOM 512 CD2 HIS A 40 15.812 8.795 3.758 1.00 0.00 C ATOM 513 CE1 HIS A 40 16.944 9.753 5.349 1.00 0.00 C ATOM 514 NE2 HIS A 40 16.906 9.560 4.049 1.00 0.00 N ATOM 0 H HIS A 40 15.364 5.761 4.061 1.00 0.00 H new ATOM 0 HA HIS A 40 14.913 6.513 6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.499 7.407 4.271 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.328 8.136 5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.499 8.480 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.690 10.328 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.579 9.920 3.373 1.00 0.00 H new ATOM 523 N LEU A 41 13.029 4.402 5.350 1.00 0.00 N ATOM 524 CA LEU A 41 11.931 3.459 5.468 1.00 0.00 C ATOM 525 C LEU A 41 12.140 2.576 6.710 1.00 0.00 C ATOM 526 O LEU A 41 11.219 1.914 7.215 1.00 0.00 O ATOM 527 CB LEU A 41 11.825 2.655 4.166 1.00 0.00 C ATOM 528 CG LEU A 41 10.570 1.816 3.956 1.00 0.00 C ATOM 529 CD1 LEU A 41 10.179 1.883 2.497 1.00 0.00 C ATOM 530 CD2 LEU A 41 10.806 0.367 4.357 1.00 0.00 C ATOM 0 H LEU A 41 13.662 4.189 4.580 1.00 0.00 H new ATOM 0 HA LEU A 41 10.982 3.977 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.906 3.353 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.687 1.990 4.110 1.00 0.00 H new ATOM 0 HG LEU A 41 9.771 2.213 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.282 1.286 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.982 2.919 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.991 1.492 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.894 -0.208 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.610 -0.052 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.083 0.321 5.410 1.00 0.00 H new ATOM 542 N ARG A 42 13.360 2.627 7.241 1.00 0.00 N ATOM 543 CA ARG A 42 13.722 1.928 8.460 1.00 0.00 C ATOM 544 C ARG A 42 13.085 2.655 9.664 1.00 0.00 C ATOM 545 O ARG A 42 13.276 2.275 10.822 1.00 0.00 O ATOM 546 CB ARG A 42 15.245 1.859 8.589 1.00 0.00 C ATOM 547 CG ARG A 42 15.768 0.595 9.245 1.00 0.00 C ATOM 548 CD ARG A 42 15.306 -0.637 8.463 1.00 0.00 C ATOM 549 NE ARG A 42 15.503 -0.485 7.011 1.00 0.00 N ATOM 550 CZ ARG A 42 15.155 -1.388 6.083 1.00 0.00 C ATOM 551 NH1 ARG A 42 14.756 -2.617 6.435 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 15.217 -1.065 4.805 1.00 0.00 N ATOM 0 H ARG A 42 14.127 3.160 6.830 1.00 0.00 H new ATOM 0 HA ARG A 42 13.346 0.905 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.685 1.945 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.587 2.719 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.857 0.622 9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.412 0.536 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.854 -1.512 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.251 -0.819 8.667 1.00 0.00 H new ATOM 0 HE ARG A 42 15.940 0.377 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.714 -2.877 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.494 -3.293 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.528 -0.134 4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.954 -1.747 4.093 1.00 0.00 H new ATOM 566 N ALA A 43 12.363 3.724 9.370 1.00 0.00 N ATOM 567 CA ALA A 43 11.552 4.405 10.339 1.00 0.00 C ATOM 568 C ALA A 43 10.499 3.441 10.850 1.00 0.00 C ATOM 569 O ALA A 43 10.392 3.194 12.056 1.00 0.00 O ATOM 570 CB ALA A 43 10.834 5.573 9.676 1.00 0.00 C ATOM 0 H ALA A 43 12.330 4.140 8.439 1.00 0.00 H new ATOM 0 HA ALA A 43 12.183 4.765 11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.219 6.088 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.569 6.267 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.200 5.201 8.871 1.00 0.00 H new ATOM 576 N LYS A 44 9.792 2.809 9.917 1.00 0.00 N ATOM 577 CA LYS A 44 8.667 1.985 10.295 1.00 0.00 C ATOM 578 C LYS A 44 9.057 0.534 10.535 1.00 0.00 C ATOM 579 O LYS A 44 8.409 -0.124 11.307 1.00 0.00 O ATOM 580 CB LYS A 44 7.566 2.066 9.225 1.00 0.00 C ATOM 581 CG LYS A 44 6.990 3.472 8.987 1.00 0.00 C ATOM 582 CD LYS A 44 6.433 4.076 10.276 1.00 0.00 C ATOM 583 CE LYS A 44 5.745 5.417 10.035 1.00 0.00 C ATOM 584 NZ LYS A 44 4.559 5.303 9.157 1.00 0.00 N1+ ATOM 0 H LYS A 44 9.979 2.854 8.915 1.00 0.00 H new ATOM 0 HA LYS A 44 8.290 2.376 11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.967 1.691 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.752 1.401 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.768 4.122 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.200 3.421 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.723 3.381 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.244 4.209 10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.443 5.843 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.457 6.111 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.898 6.079 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.857 5.358 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.087 4.392 9.327 1.00 0.00 H new ATOM 598 N LYS A 45 10.186 0.094 9.937 1.00 0.00 N ATOM 599 CA LYS A 45 10.716 -1.300 10.104 1.00 0.00 C ATOM 600 C LYS A 45 9.620 -2.366 10.043 1.00 0.00 C ATOM 601 O LYS A 45 9.394 -3.084 11.004 1.00 0.00 O ATOM 602 CB LYS A 45 11.519 -1.435 11.400 1.00 0.00 C ATOM 603 CG LYS A 45 12.743 -0.557 11.434 1.00 0.00 C ATOM 604 CD LYS A 45 13.422 -0.538 12.801 1.00 0.00 C ATOM 605 CE LYS A 45 12.529 0.115 13.863 1.00 0.00 C ATOM 606 NZ LYS A 45 12.128 1.502 13.477 1.00 0.00 N1+ ATOM 0 H LYS A 45 10.759 0.679 9.329 1.00 0.00 H new ATOM 0 HA LYS A 45 11.379 -1.475 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.877 -1.186 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.822 -2.475 11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.455 -0.905 10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.462 0.460 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.663 -1.557 13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.365 0.005 12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.637 -0.493 14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.058 0.142 14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.188 2.125 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.765 1.853 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.151 1.494 13.120 1.00 0.00 H new ATOM 620 N ILE A 46 8.945 -2.426 8.919 1.00 0.00 N ATOM 621 CA ILE A 46 7.827 -3.352 8.739 1.00 0.00 C ATOM 622 C ILE A 46 8.336 -4.763 8.627 1.00 0.00 C ATOM 623 O ILE A 46 7.757 -5.711 9.143 1.00 0.00 O ATOM 624 CB ILE A 46 7.045 -3.129 7.406 1.00 0.00 C ATOM 625 CG1 ILE A 46 7.035 -1.687 6.949 1.00 0.00 C ATOM 626 CG2 ILE A 46 5.633 -3.669 7.500 1.00 0.00 C ATOM 627 CD1 ILE A 46 8.237 -1.362 6.097 1.00 0.00 C ATOM 0 H ILE A 46 9.144 -1.845 8.105 1.00 0.00 H new ATOM 0 HA ILE A 46 7.183 -3.178 9.601 1.00 0.00 H new ATOM 0 HB ILE A 46 7.588 -3.691 6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.124 -1.491 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.017 -1.030 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.115 -3.499 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.666 -4.738 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.101 -3.159 8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.193 -0.317 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.147 -1.533 6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.240 -2.001 5.214 1.00 0.00 H new ATOM 639 N LEU A 47 9.427 -4.868 7.936 1.00 0.00 N ATOM 640 CA LEU A 47 9.935 -6.105 7.480 1.00 0.00 C ATOM 641 C LEU A 47 11.421 -6.206 7.762 1.00 0.00 C ATOM 642 O LEU A 47 11.993 -5.314 8.425 1.00 0.00 O ATOM 643 CB LEU A 47 9.635 -6.159 6.012 1.00 0.00 C ATOM 644 CG LEU A 47 8.150 -6.219 5.703 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.869 -5.563 4.412 1.00 0.00 C ATOM 646 CD2 LEU A 47 7.652 -7.652 5.685 1.00 0.00 C ATOM 0 H LEU A 47 9.999 -4.066 7.670 1.00 0.00 H new ATOM 0 HA LEU A 47 9.475 -6.949 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.064 -5.282 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.124 -7.032 5.580 1.00 0.00 H new ATOM 0 HG LEU A 47 7.619 -5.687 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.800 -5.614 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.181 -4.520 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.418 -6.071 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.585 -7.664 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.189 -8.214 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.823 -8.109 6.660 1.00 0.00 H new ATOM 658 N SER A 48 12.064 -7.222 7.229 1.00 0.00 N ATOM 659 CA SER A 48 13.448 -7.485 7.539 1.00 0.00 C ATOM 660 C SER A 48 14.373 -6.583 6.726 1.00 0.00 C ATOM 661 O SER A 48 13.925 -5.725 5.946 1.00 0.00 O ATOM 662 CB SER A 48 13.783 -8.971 7.283 1.00 0.00 C ATOM 663 OG SER A 48 13.610 -9.318 5.912 1.00 0.00 O ATOM 0 H SER A 48 11.645 -7.882 6.574 1.00 0.00 H new ATOM 0 HA SER A 48 13.606 -7.267 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.812 -9.170 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.144 -9.601 7.902 1.00 0.00 H new ATOM 0 HG SER A 48 12.654 -9.339 5.698 1.00 0.00 H new ATOM 669 N ARG A 49 15.649 -6.771 6.908 1.00 0.00 N ATOM 670 CA ARG A 49 16.655 -6.054 6.172 1.00 0.00 C ATOM 671 C ARG A 49 16.696 -6.672 4.792 1.00 0.00 C ATOM 672 O ARG A 49 16.710 -5.993 3.760 1.00 0.00 O ATOM 673 CB ARG A 49 17.984 -6.329 6.848 1.00 0.00 C ATOM 674 CG ARG A 49 19.191 -5.674 6.248 1.00 0.00 C ATOM 675 CD ARG A 49 20.420 -6.321 6.835 1.00 0.00 C ATOM 676 NE ARG A 49 20.542 -6.132 8.295 1.00 0.00 N ATOM 677 CZ ARG A 49 20.505 -7.140 9.206 1.00 0.00 C ATOM 678 NH1 ARG A 49 20.155 -8.377 8.841 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 20.770 -6.885 10.495 1.00 0.00 N ATOM 0 H ARG A 49 16.027 -7.437 7.582 1.00 0.00 H new ATOM 0 HA ARG A 49 16.454 -4.984 6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.908 -6.015 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.148 -7.407 6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.184 -5.785 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.187 -4.605 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.400 -7.388 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.305 -5.911 6.348 1.00 0.00 H new ATOM 0 HE ARG A 49 20.662 -5.181 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.912 -8.573 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.131 -9.125 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.999 -5.936 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.743 -7.640 11.180 1.00 0.00 H new ATOM 693 N GLU A 50 16.655 -7.972 4.837 1.00 0.00 N ATOM 694 CA GLU A 50 16.758 -8.866 3.737 1.00 0.00 C ATOM 695 C GLU A 50 15.648 -8.637 2.718 1.00 0.00 C ATOM 696 O GLU A 50 15.930 -8.260 1.575 1.00 0.00 O ATOM 697 CB GLU A 50 16.735 -10.325 4.263 1.00 0.00 C ATOM 698 CG GLU A 50 17.934 -10.742 5.167 1.00 0.00 C ATOM 699 CD GLU A 50 18.158 -9.846 6.391 1.00 0.00 C ATOM 700 OE1 GLU A 50 17.170 -9.483 7.083 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 19.308 -9.410 6.617 1.00 0.00 O ATOM 0 H GLU A 50 16.539 -8.468 5.721 1.00 0.00 H new ATOM 0 HA GLU A 50 17.701 -8.679 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.813 -10.474 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.699 -10.999 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.776 -11.765 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.842 -10.744 4.564 1.00 0.00 H new ATOM 708 N ASP A 51 14.392 -8.797 3.136 1.00 0.00 N ATOM 709 CA ASP A 51 13.266 -8.697 2.187 1.00 0.00 C ATOM 710 C ASP A 51 13.094 -7.283 1.630 1.00 0.00 C ATOM 711 O ASP A 51 12.738 -7.126 0.453 1.00 0.00 O ATOM 712 CB ASP A 51 11.922 -9.230 2.741 1.00 0.00 C ATOM 713 CG ASP A 51 11.257 -8.307 3.734 1.00 0.00 C ATOM 714 OD1 ASP A 51 10.613 -7.351 3.302 1.00 0.00 O ATOM 715 OD2 ASP A 51 11.390 -8.538 4.959 1.00 0.00 O1- ATOM 0 H ASP A 51 14.125 -8.992 4.101 1.00 0.00 H new ATOM 0 HA ASP A 51 13.546 -9.358 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.240 -9.402 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.094 -10.195 3.217 1.00 0.00 H new ATOM 720 N THR A 52 13.383 -6.254 2.441 1.00 0.00 N ATOM 721 CA THR A 52 13.263 -4.880 1.963 1.00 0.00 C ATOM 722 C THR A 52 14.374 -4.537 0.955 1.00 0.00 C ATOM 723 O THR A 52 14.198 -3.696 0.090 1.00 0.00 O ATOM 724 CB THR A 52 13.199 -3.808 3.110 1.00 0.00 C ATOM 725 OG1 THR A 52 14.278 -3.979 4.043 1.00 0.00 O ATOM 726 CG2 THR A 52 11.858 -3.833 3.862 1.00 0.00 C ATOM 0 H THR A 52 13.694 -6.348 3.408 1.00 0.00 H new ATOM 0 HA THR A 52 12.300 -4.834 1.455 1.00 0.00 H new ATOM 0 HB THR A 52 13.294 -2.837 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.072 -4.721 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.865 -3.074 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.046 -3.628 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.711 -4.815 4.311 1.00 0.00 H new ATOM 734 N ARG A 53 15.518 -5.199 1.064 1.00 0.00 N ATOM 735 CA ARG A 53 16.601 -4.975 0.114 1.00 0.00 C ATOM 736 C ARG A 53 16.297 -5.781 -1.154 1.00 0.00 C ATOM 737 O ARG A 53 16.599 -5.348 -2.291 1.00 0.00 O ATOM 738 CB ARG A 53 17.970 -5.382 0.748 1.00 0.00 C ATOM 739 CG ARG A 53 19.231 -4.844 0.032 1.00 0.00 C ATOM 740 CD ARG A 53 19.474 -5.473 -1.337 1.00 0.00 C ATOM 741 NE ARG A 53 20.494 -4.746 -2.112 1.00 0.00 N ATOM 742 CZ ARG A 53 20.226 -3.994 -3.210 1.00 0.00 C ATOM 743 NH1 ARG A 53 18.968 -3.868 -3.642 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 21.214 -3.376 -3.862 1.00 0.00 N ATOM 0 H ARG A 53 15.720 -5.887 1.790 1.00 0.00 H new ATOM 0 HA ARG A 53 16.674 -3.919 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.987 -5.036 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.027 -6.470 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.139 -3.764 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.101 -5.023 0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.788 -6.509 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.539 -5.491 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 53 21.464 -4.812 -1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.209 -4.337 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.766 -3.303 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 53 22.176 -3.468 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.007 -2.812 -4.686 1.00 0.00 H new ATOM 758 N GLU A 54 15.668 -6.925 -0.937 1.00 0.00 N ATOM 759 CA GLU A 54 15.292 -7.888 -1.971 1.00 0.00 C ATOM 760 C GLU A 54 14.377 -7.204 -3.014 1.00 0.00 C ATOM 761 O GLU A 54 14.479 -7.471 -4.209 1.00 0.00 O ATOM 762 CB GLU A 54 14.553 -9.062 -1.279 1.00 0.00 C ATOM 763 CG GLU A 54 14.591 -10.430 -1.971 1.00 0.00 C ATOM 764 CD GLU A 54 14.052 -10.438 -3.367 1.00 0.00 C ATOM 765 OE1 GLU A 54 12.825 -10.391 -3.548 1.00 0.00 O1- ATOM 766 OE2 GLU A 54 14.854 -10.471 -4.296 1.00 0.00 O ATOM 0 H GLU A 54 15.393 -7.224 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 54 16.174 -8.261 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.971 -9.179 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.508 -8.776 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.622 -10.783 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.022 -11.141 -1.372 1.00 0.00 H new ATOM 773 N ILE A 55 13.540 -6.257 -2.546 1.00 0.00 N ATOM 774 CA ILE A 55 12.578 -5.536 -3.420 1.00 0.00 C ATOM 775 C ILE A 55 13.322 -4.856 -4.604 1.00 0.00 C ATOM 776 O ILE A 55 12.847 -4.836 -5.727 1.00 0.00 O ATOM 777 CB ILE A 55 11.695 -4.468 -2.612 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.432 -3.120 -2.385 1.00 0.00 C ATOM 779 CG2 ILE A 55 11.288 -5.054 -1.288 1.00 0.00 C ATOM 780 CD1 ILE A 55 11.634 -2.065 -1.614 1.00 0.00 C ATOM 0 H ILE A 55 13.507 -5.970 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 55 11.886 -6.279 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 55 10.817 -4.250 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.359 -3.317 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.708 -2.707 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.688 -4.329 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.702 -5.958 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.179 -5.301 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.234 -1.161 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.719 -1.831 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.380 -2.451 -0.627 1.00 0.00 H new ATOM 792 N SER A 56 14.523 -4.391 -4.323 1.00 0.00 N ATOM 793 CA SER A 56 15.361 -3.712 -5.281 1.00 0.00 C ATOM 794 C SER A 56 16.280 -4.703 -6.042 1.00 0.00 C ATOM 795 O SER A 56 16.776 -4.404 -7.129 1.00 0.00 O ATOM 796 CB SER A 56 16.179 -2.645 -4.522 1.00 0.00 C ATOM 797 OG SER A 56 17.229 -2.083 -5.300 1.00 0.00 O ATOM 0 H SER A 56 14.949 -4.479 -3.401 1.00 0.00 H new ATOM 0 HA SER A 56 14.743 -3.234 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.510 -1.848 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.602 -3.093 -3.623 1.00 0.00 H new ATOM 0 HG SER A 56 16.882 -1.330 -5.823 1.00 0.00 H new ATOM 803 N CYS A 57 16.466 -5.885 -5.504 1.00 0.00 N ATOM 804 CA CYS A 57 17.395 -6.833 -6.098 1.00 0.00 C ATOM 805 C CYS A 57 16.722 -7.645 -7.205 1.00 0.00 C ATOM 806 O CYS A 57 17.356 -8.053 -8.173 1.00 0.00 O ATOM 807 CB CYS A 57 17.972 -7.766 -5.023 1.00 0.00 C ATOM 808 SG CYS A 57 19.224 -8.920 -5.630 1.00 0.00 S ATOM 0 H CYS A 57 15.994 -6.217 -4.663 1.00 0.00 H new ATOM 0 HA CYS A 57 18.213 -6.267 -6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 57 18.409 -7.160 -4.229 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.156 -8.335 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 57 19.086 -9.074 -6.913 1.00 0.00 H new ATOM 814 N ARG A 58 15.444 -7.854 -7.059 1.00 0.00 N ATOM 815 CA ARG A 58 14.670 -8.671 -7.981 1.00 0.00 C ATOM 816 C ARG A 58 14.063 -7.848 -9.126 1.00 0.00 C ATOM 817 O ARG A 58 13.197 -8.352 -9.866 1.00 0.00 O ATOM 818 CB ARG A 58 13.616 -9.482 -7.238 1.00 0.00 C ATOM 819 CG ARG A 58 13.400 -10.886 -7.820 1.00 0.00 C ATOM 820 CD ARG A 58 14.723 -11.677 -7.859 1.00 0.00 C ATOM 821 NE ARG A 58 15.424 -11.582 -6.583 1.00 0.00 N ATOM 822 CZ ARG A 58 16.704 -11.855 -6.329 1.00 0.00 C ATOM 823 NH1 ARG A 58 17.516 -12.342 -7.273 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 17.158 -11.616 -5.112 1.00 0.00 N ATOM 0 H ARG A 58 14.895 -7.463 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 58 15.360 -9.374 -8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.909 -9.572 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.671 -8.940 -7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.668 -11.424 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.989 -10.807 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.520 -12.723 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.358 -11.292 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 58 14.867 -11.268 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.160 -12.513 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 58 18.492 -12.542 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.534 -11.234 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.132 -11.813 -4.883 1.00 0.00 H new ATOM 838 N THR A 59 14.531 -6.610 -9.246 1.00 0.00 N ATOM 839 CA THR A 59 14.007 -5.560 -10.134 1.00 0.00 C ATOM 840 C THR A 59 13.491 -6.012 -11.530 1.00 0.00 C ATOM 841 O THR A 59 14.070 -6.834 -12.234 1.00 0.00 O ATOM 842 CB THR A 59 15.097 -4.439 -10.322 1.00 0.00 C ATOM 843 OG1 THR A 59 15.231 -3.666 -9.127 1.00 0.00 O ATOM 844 CG2 THR A 59 14.794 -3.502 -11.494 1.00 0.00 C ATOM 0 H THR A 59 15.330 -6.287 -8.700 1.00 0.00 H new ATOM 0 HA THR A 59 13.117 -5.197 -9.620 1.00 0.00 H new ATOM 0 HB THR A 59 16.030 -4.956 -10.544 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.030 -3.955 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.580 -2.751 -11.572 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.749 -4.078 -12.418 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.837 -3.008 -11.327 1.00 0.00 H new ATOM 852 N SER A 60 12.329 -5.468 -11.829 1.00 0.00 N ATOM 853 CA SER A 60 11.620 -5.521 -13.075 1.00 0.00 C ATOM 854 C SER A 60 10.705 -4.271 -12.954 1.00 0.00 C ATOM 855 O SER A 60 10.892 -3.531 -11.984 1.00 0.00 O ATOM 856 CB SER A 60 10.805 -6.832 -13.204 1.00 0.00 C ATOM 857 OG SER A 60 11.582 -7.977 -12.815 1.00 0.00 O ATOM 0 H SER A 60 11.815 -4.928 -11.133 1.00 0.00 H new ATOM 0 HA SER A 60 12.256 -5.516 -13.960 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.912 -6.769 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.468 -6.952 -14.234 1.00 0.00 H new ATOM 0 HG SER A 60 12.523 -7.719 -12.725 1.00 0.00 H new ATOM 863 N SER A 61 9.728 -4.058 -13.834 1.00 0.00 N ATOM 864 CA SER A 61 8.929 -2.798 -13.823 1.00 0.00 C ATOM 865 C SER A 61 8.233 -2.456 -12.448 1.00 0.00 C ATOM 866 O SER A 61 8.678 -1.559 -11.735 1.00 0.00 O ATOM 867 CB SER A 61 7.898 -2.833 -14.973 1.00 0.00 C ATOM 868 OG SER A 61 7.098 -1.668 -15.003 1.00 0.00 O ATOM 0 H SER A 61 9.460 -4.722 -14.561 1.00 0.00 H new ATOM 0 HA SER A 61 9.643 -1.988 -13.972 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.420 -2.939 -15.924 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.259 -3.709 -14.860 1.00 0.00 H new ATOM 0 HG SER A 61 6.460 -1.728 -15.745 1.00 0.00 H new ATOM 874 N ARG A 62 7.185 -3.184 -12.065 1.00 0.00 N ATOM 875 CA ARG A 62 6.473 -2.882 -10.793 1.00 0.00 C ATOM 876 C ARG A 62 7.074 -3.684 -9.645 1.00 0.00 C ATOM 877 O ARG A 62 6.915 -3.370 -8.471 1.00 0.00 O ATOM 878 CB ARG A 62 4.961 -3.138 -10.934 1.00 0.00 C ATOM 879 CG ARG A 62 4.293 -2.337 -12.063 1.00 0.00 C ATOM 880 CD ARG A 62 4.466 -0.823 -11.888 1.00 0.00 C ATOM 881 NE ARG A 62 3.878 -0.066 -13.012 1.00 0.00 N ATOM 882 CZ ARG A 62 4.000 1.271 -13.209 1.00 0.00 C ATOM 883 NH1 ARG A 62 4.696 2.028 -12.369 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 3.428 1.850 -14.255 1.00 0.00 N ATOM 0 H ARG A 62 6.806 -3.971 -12.592 1.00 0.00 H new ATOM 0 HA ARG A 62 6.602 -1.824 -10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.798 -4.201 -11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.472 -2.894 -9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.718 -2.640 -13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.230 -2.577 -12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.997 -0.510 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.527 -0.586 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 62 3.335 -0.592 -13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.150 1.606 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.776 3.031 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.892 1.290 -14.918 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.524 2.856 -14.397 1.00 0.00 H new ATOM 898 N LYS A 63 7.816 -4.679 -10.054 1.00 0.00 N ATOM 899 CA LYS A 63 8.505 -5.678 -9.232 1.00 0.00 C ATOM 900 C LYS A 63 9.365 -5.062 -8.131 1.00 0.00 C ATOM 901 O LYS A 63 9.575 -5.660 -7.092 1.00 0.00 O ATOM 902 CB LYS A 63 9.437 -6.362 -10.182 1.00 0.00 C ATOM 903 CG LYS A 63 10.213 -7.544 -9.676 1.00 0.00 C ATOM 904 CD LYS A 63 9.367 -8.779 -9.623 1.00 0.00 C ATOM 905 CE LYS A 63 10.248 -10.016 -9.615 1.00 0.00 C ATOM 906 NZ LYS A 63 11.212 -10.015 -10.771 1.00 0.00 N1+ ATOM 0 H LYS A 63 7.976 -4.837 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 63 7.771 -6.321 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.856 -6.688 -11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.152 -5.621 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.073 -7.719 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.602 -7.326 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.742 -8.763 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.696 -8.807 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.802 -10.063 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.624 -10.909 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.315 -10.983 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.850 -9.396 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.138 -9.666 -10.451 1.00 0.00 H new ATOM 920 N ARG A 64 9.885 -3.909 -8.403 1.00 0.00 N ATOM 921 CA ARG A 64 10.807 -3.273 -7.503 1.00 0.00 C ATOM 922 C ARG A 64 10.140 -2.523 -6.358 1.00 0.00 C ATOM 923 O ARG A 64 10.341 -2.836 -5.194 1.00 0.00 O ATOM 924 CB ARG A 64 11.753 -2.353 -8.264 1.00 0.00 C ATOM 925 CG ARG A 64 11.102 -1.577 -9.429 1.00 0.00 C ATOM 926 CD ARG A 64 12.000 -0.458 -9.920 1.00 0.00 C ATOM 927 NE ARG A 64 13.392 -0.868 -9.882 1.00 0.00 N ATOM 928 CZ ARG A 64 14.307 -0.270 -9.136 1.00 0.00 C ATOM 929 NH1 ARG A 64 14.126 0.987 -8.737 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 15.414 -0.906 -8.828 1.00 0.00 N ATOM 0 H ARG A 64 9.687 -3.378 -9.251 1.00 0.00 H new ATOM 0 HA ARG A 64 11.374 -4.081 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.182 -1.637 -7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.577 -2.948 -8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.890 -2.262 -10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.147 -1.163 -9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.724 -0.182 -10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.859 0.428 -9.301 1.00 0.00 H new ATOM 0 HE ARG A 64 13.680 -1.658 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.281 1.491 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.832 1.446 -8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.566 -1.857 -9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.122 -0.449 -8.253 1.00 0.00 H new ATOM 944 N ALA A 65 9.342 -1.550 -6.689 1.00 0.00 N ATOM 945 CA ALA A 65 8.797 -0.679 -5.690 1.00 0.00 C ATOM 946 C ALA A 65 7.530 -1.276 -5.063 1.00 0.00 C ATOM 947 O ALA A 65 7.363 -1.272 -3.847 1.00 0.00 O ATOM 948 CB ALA A 65 8.473 0.672 -6.319 1.00 0.00 C ATOM 0 H ALA A 65 9.054 -1.340 -7.645 1.00 0.00 H new ATOM 0 HA ALA A 65 9.538 -0.554 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.058 1.336 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.383 1.111 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.745 0.536 -7.119 1.00 0.00 H new ATOM 954 N GLY A 66 6.674 -1.834 -5.908 1.00 0.00 N ATOM 955 CA GLY A 66 5.364 -2.288 -5.477 1.00 0.00 C ATOM 956 C GLY A 66 5.379 -3.590 -4.736 1.00 0.00 C ATOM 957 O GLY A 66 4.469 -3.874 -3.969 1.00 0.00 O ATOM 0 H GLY A 66 6.867 -1.982 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.919 -1.525 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.720 -2.388 -6.351 1.00 0.00 H new ATOM 961 N LYS A 67 6.422 -4.369 -4.926 1.00 0.00 N ATOM 962 CA LYS A 67 6.529 -5.667 -4.269 1.00 0.00 C ATOM 963 C LYS A 67 6.738 -5.498 -2.766 1.00 0.00 C ATOM 964 O LYS A 67 6.451 -6.395 -1.983 1.00 0.00 O ATOM 965 CB LYS A 67 7.615 -6.507 -4.941 1.00 0.00 C ATOM 966 CG LYS A 67 7.961 -7.849 -4.286 1.00 0.00 C ATOM 967 CD LYS A 67 8.840 -8.659 -5.219 1.00 0.00 C ATOM 968 CE LYS A 67 9.745 -9.622 -4.467 1.00 0.00 C ATOM 969 NZ LYS A 67 10.744 -8.892 -3.641 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.211 -4.132 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 67 5.592 -6.213 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.306 -6.701 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.525 -5.909 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.475 -7.681 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.049 -8.401 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.212 -9.220 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.450 -7.983 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.142 -10.266 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.260 -10.269 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.687 -9.305 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.758 -7.890 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.487 -8.970 -2.636 1.00 0.00 H new ATOM 983 N LEU A 68 7.197 -4.320 -2.366 1.00 0.00 N ATOM 984 CA LEU A 68 7.296 -3.998 -0.960 1.00 0.00 C ATOM 985 C LEU A 68 5.908 -3.889 -0.371 1.00 0.00 C ATOM 986 O LEU A 68 5.632 -4.394 0.710 1.00 0.00 O ATOM 987 CB LEU A 68 8.081 -2.693 -0.735 1.00 0.00 C ATOM 988 CG LEU A 68 7.987 -2.061 0.676 1.00 0.00 C ATOM 989 CD1 LEU A 68 8.324 -3.026 1.770 1.00 0.00 C ATOM 990 CD2 LEU A 68 8.864 -0.861 0.790 1.00 0.00 C ATOM 0 H LEU A 68 7.504 -3.579 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 68 7.843 -4.797 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.132 -2.886 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.735 -1.958 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 68 6.945 -1.766 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.241 -2.526 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.634 -3.869 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.344 -3.387 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.776 -0.440 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.899 -1.148 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.559 -0.116 0.055 1.00 0.00 H new ATOM 1002 N LEU A 69 5.018 -3.312 -1.130 1.00 0.00 N ATOM 1003 CA LEU A 69 3.685 -3.056 -0.652 1.00 0.00 C ATOM 1004 C LEU A 69 2.890 -4.354 -0.656 1.00 0.00 C ATOM 1005 O LEU A 69 1.843 -4.454 -0.039 1.00 0.00 O ATOM 1006 CB LEU A 69 2.980 -2.020 -1.523 1.00 0.00 C ATOM 1007 CG LEU A 69 3.855 -0.872 -2.071 1.00 0.00 C ATOM 1008 CD1 LEU A 69 3.020 0.083 -2.901 1.00 0.00 C ATOM 1009 CD2 LEU A 69 4.570 -0.124 -0.946 1.00 0.00 C ATOM 0 H LEU A 69 5.192 -3.008 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 69 3.750 -2.662 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.526 -2.537 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.167 -1.583 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 69 4.619 -1.314 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.653 0.886 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.577 -0.455 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.228 0.506 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.176 0.677 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.832 0.301 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.212 -0.815 -0.400 1.00 0.00 H new ATOM 1021 N ASP A 70 3.405 -5.339 -1.361 1.00 0.00 N ATOM 1022 CA ASP A 70 2.763 -6.634 -1.440 1.00 0.00 C ATOM 1023 C ASP A 70 2.983 -7.420 -0.150 1.00 0.00 C ATOM 1024 O ASP A 70 2.081 -8.094 0.333 1.00 0.00 O ATOM 1025 CB ASP A 70 3.255 -7.422 -2.643 1.00 0.00 C ATOM 1026 CG ASP A 70 2.491 -8.713 -2.810 1.00 0.00 C ATOM 1027 OD1 ASP A 70 1.275 -8.633 -3.116 1.00 0.00 O ATOM 1028 OD2 ASP A 70 3.089 -9.780 -2.679 1.00 0.00 O1- ATOM 0 H ASP A 70 4.273 -5.266 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 70 1.693 -6.471 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.150 -6.817 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.317 -7.639 -2.527 1.00 0.00 H new ATOM 1033 N TYR A 71 4.170 -7.255 0.469 1.00 0.00 N ATOM 1034 CA TYR A 71 4.464 -7.925 1.761 1.00 0.00 C ATOM 1035 C TYR A 71 3.537 -7.343 2.832 1.00 0.00 C ATOM 1036 O TYR A 71 3.255 -7.954 3.835 1.00 0.00 O ATOM 1037 CB TYR A 71 5.889 -7.647 2.262 1.00 0.00 C ATOM 1038 CG TYR A 71 7.058 -7.853 1.322 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.418 -9.107 0.839 1.00 0.00 C ATOM 1040 CD2 TYR A 71 7.853 -6.775 0.983 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.546 -9.257 0.041 1.00 0.00 C ATOM 1042 CE2 TYR A 71 8.951 -6.910 0.190 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.302 -8.146 -0.280 1.00 0.00 C ATOM 1044 OH TYR A 71 10.440 -8.277 -1.050 1.00 0.00 O ATOM 0 H TYR A 71 4.929 -6.677 0.108 1.00 0.00 H new ATOM 0 HA TYR A 71 4.333 -8.995 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 71 5.921 -6.612 2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.057 -8.275 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.817 -9.970 1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.595 -5.796 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.829 -10.233 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.543 -6.044 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 71 11.206 -7.901 -0.568 1.00 0.00 H new ATOM 1054 N LEU A 72 3.096 -6.136 2.569 1.00 0.00 N ATOM 1055 CA LEU A 72 2.261 -5.346 3.465 1.00 0.00 C ATOM 1056 C LEU A 72 0.785 -5.724 3.308 1.00 0.00 C ATOM 1057 O LEU A 72 -0.079 -5.304 4.098 1.00 0.00 O ATOM 1058 CB LEU A 72 2.357 -3.889 3.045 1.00 0.00 C ATOM 1059 CG LEU A 72 3.718 -3.242 2.874 1.00 0.00 C ATOM 1060 CD1 LEU A 72 3.521 -1.800 2.515 1.00 0.00 C ATOM 1061 CD2 LEU A 72 4.569 -3.341 4.112 1.00 0.00 C ATOM 0 H LEU A 72 3.312 -5.653 1.697 1.00 0.00 H new ATOM 0 HA LEU A 72 2.598 -5.521 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.828 -3.788 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.808 -3.302 3.781 1.00 0.00 H new ATOM 0 HG LEU A 72 4.245 -3.776 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.492 -1.321 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.958 -1.730 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.970 -1.299 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.531 -2.861 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.065 -2.843 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.728 -4.390 4.361 1.00 0.00 H new ATOM 1073 N GLN A 73 0.508 -6.431 2.251 1.00 0.00 N ATOM 1074 CA GLN A 73 -0.833 -6.690 1.801 1.00 0.00 C ATOM 1075 C GLN A 73 -1.418 -7.985 2.409 1.00 0.00 C ATOM 1076 O GLN A 73 -2.574 -8.337 2.140 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.782 -6.720 0.269 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.905 -5.984 -0.444 1.00 0.00 C ATOM 1079 CD GLN A 73 -3.118 -6.732 -0.600 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -3.125 -7.954 -0.749 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -4.179 -6.024 -0.490 1.00 0.00 N ATOM 0 H GLN A 73 1.225 -6.855 1.662 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.512 -5.907 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.168 -6.294 -0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.791 -7.760 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.128 -5.071 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.552 -5.683 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.108 -5.014 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.096 -6.470 -0.524 1.00 0.00 H new ATOM 1090 N GLU A 74 -0.643 -8.665 3.252 1.00 0.00 N ATOM 1091 CA GLU A 74 -1.095 -9.924 3.868 1.00 0.00 C ATOM 1092 C GLU A 74 -2.249 -9.715 4.850 1.00 0.00 C ATOM 1093 O GLU A 74 -3.252 -10.437 4.854 1.00 0.00 O ATOM 1094 CB GLU A 74 0.105 -10.669 4.564 1.00 0.00 C ATOM 1095 CG GLU A 74 1.193 -9.790 5.297 1.00 0.00 C ATOM 1096 CD GLU A 74 0.718 -8.896 6.461 1.00 0.00 C ATOM 1097 OE1 GLU A 74 0.321 -7.738 6.216 1.00 0.00 O ATOM 1098 OE2 GLU A 74 0.734 -9.325 7.641 1.00 0.00 O1- ATOM 0 H GLU A 74 0.295 -8.373 3.526 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.476 -10.552 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.311 -11.364 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.612 -11.267 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.964 -10.459 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.666 -9.150 4.552 1.00 0.00 H new ATOM 1105 N ASN A 75 -2.110 -8.710 5.592 1.00 0.00 N ATOM 1106 CA ASN A 75 -2.964 -8.329 6.648 1.00 0.00 C ATOM 1107 C ASN A 75 -2.847 -6.829 6.735 1.00 0.00 C ATOM 1108 O ASN A 75 -1.979 -6.348 7.418 1.00 0.00 O ATOM 1109 CB ASN A 75 -2.601 -9.058 7.955 1.00 0.00 C ATOM 1110 CG ASN A 75 -3.486 -8.693 9.128 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -3.182 -7.776 9.880 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -4.564 -9.416 9.308 1.00 0.00 N ATOM 0 H ASN A 75 -1.328 -8.065 5.476 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.001 -8.613 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.661 -10.133 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.566 -8.832 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.182 -9.222 10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.785 -10.172 8.660 1.00 0.00 H new ATOM 1119 N PRO A 76 -3.699 -6.108 5.947 1.00 0.00 N ATOM 1120 CA PRO A 76 -3.618 -4.653 5.505 1.00 0.00 C ATOM 1121 C PRO A 76 -2.828 -3.556 6.308 1.00 0.00 C ATOM 1122 O PRO A 76 -2.679 -2.451 5.790 1.00 0.00 O ATOM 1123 CB PRO A 76 -5.092 -4.301 5.506 1.00 0.00 C ATOM 1124 CG PRO A 76 -5.739 -5.496 4.911 1.00 0.00 C ATOM 1125 CD PRO A 76 -4.945 -6.694 5.389 1.00 0.00 C ATOM 0 HA PRO A 76 -3.022 -4.624 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.457 -4.109 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.290 -3.404 4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.780 -5.570 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.737 -5.438 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.492 -7.259 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.730 -7.381 4.571 1.00 0.00 H new ATOM 1133 N LYS A 77 -2.311 -3.862 7.478 1.00 0.00 N ATOM 1134 CA LYS A 77 -1.606 -2.907 8.369 1.00 0.00 C ATOM 1135 C LYS A 77 -0.420 -2.270 7.636 1.00 0.00 C ATOM 1136 O LYS A 77 -0.064 -1.114 7.879 1.00 0.00 O ATOM 1137 CB LYS A 77 -0.913 -3.707 9.492 1.00 0.00 C ATOM 1138 CG LYS A 77 -1.710 -4.818 10.155 1.00 0.00 C ATOM 1139 CD LYS A 77 -0.796 -5.706 11.030 1.00 0.00 C ATOM 1140 CE LYS A 77 0.323 -6.441 10.219 1.00 0.00 C ATOM 1141 NZ LYS A 77 -0.211 -7.364 9.180 1.00 0.00 N1+ ATOM 0 H LYS A 77 -2.360 -4.804 7.866 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.338 -2.176 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.003 -4.145 9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.607 -3.004 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.501 -4.387 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.195 -5.428 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.331 -5.089 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.408 -6.448 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.963 -5.699 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.950 -7.006 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.538 -8.022 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.010 -7.903 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.534 -6.813 8.359 1.00 0.00 H new ATOM 1155 N GLY A 78 0.166 -3.034 6.728 1.00 0.00 N ATOM 1156 CA GLY A 78 1.376 -2.624 6.082 1.00 0.00 C ATOM 1157 C GLY A 78 1.209 -1.441 5.154 1.00 0.00 C ATOM 1158 O GLY A 78 2.033 -0.515 5.186 1.00 0.00 O ATOM 0 H GLY A 78 -0.188 -3.943 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.115 -2.374 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.775 -3.464 5.514 1.00 0.00 H new ATOM 1162 N LEU A 79 0.157 -1.450 4.325 1.00 0.00 N ATOM 1163 CA LEU A 79 -0.078 -0.330 3.410 1.00 0.00 C ATOM 1164 C LEU A 79 -0.284 0.949 4.183 1.00 0.00 C ATOM 1165 O LEU A 79 0.274 1.975 3.815 1.00 0.00 O ATOM 1166 CB LEU A 79 -1.248 -0.554 2.421 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.978 -1.326 1.085 1.00 0.00 C ATOM 1168 CD1 LEU A 79 0.020 -0.616 0.190 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.550 -2.748 1.314 1.00 0.00 C ATOM 0 H LEU A 79 -0.529 -2.202 4.270 1.00 0.00 H new ATOM 0 HA LEU A 79 0.821 -0.255 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.033 -1.088 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.649 0.425 2.160 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.937 -1.344 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.169 -1.196 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.361 0.372 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.970 -0.514 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.377 -3.235 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.370 -2.761 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.332 -3.281 1.855 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.032 0.867 5.295 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.292 2.038 6.157 1.00 0.00 C ATOM 1183 C ASP A 80 0.027 2.567 6.687 1.00 0.00 C ATOM 1184 O ASP A 80 0.302 3.785 6.659 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.177 1.686 7.373 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.542 1.128 7.036 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.437 1.883 6.581 1.00 0.00 O1- ATOM 1188 OD2 ASP A 80 -3.773 -0.087 7.241 1.00 0.00 O ATOM 0 H ASP A 80 -1.468 0.004 5.620 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.812 2.777 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.647 0.960 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.308 2.583 7.979 1.00 0.00 H new ATOM 1193 N THR A 81 0.847 1.627 7.139 1.00 0.00 N ATOM 1194 CA THR A 81 2.159 1.882 7.685 1.00 0.00 C ATOM 1195 C THR A 81 3.047 2.678 6.706 1.00 0.00 C ATOM 1196 O THR A 81 3.751 3.620 7.125 1.00 0.00 O ATOM 1197 CB THR A 81 2.844 0.545 8.095 1.00 0.00 C ATOM 1198 OG1 THR A 81 2.069 -0.096 9.116 1.00 0.00 O ATOM 1199 CG2 THR A 81 4.260 0.758 8.612 1.00 0.00 C ATOM 0 H THR A 81 0.602 0.637 7.132 1.00 0.00 H new ATOM 0 HA THR A 81 2.032 2.499 8.575 1.00 0.00 H new ATOM 0 HB THR A 81 2.901 -0.079 7.203 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.178 -0.306 8.767 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.696 -0.203 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.865 1.223 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.234 1.407 9.488 1.00 0.00 H new ATOM 1207 N LEU A 82 3.009 2.339 5.424 1.00 0.00 N ATOM 1208 CA LEU A 82 3.824 3.065 4.471 1.00 0.00 C ATOM 1209 C LEU A 82 3.148 4.314 3.965 1.00 0.00 C ATOM 1210 O LEU A 82 3.774 5.374 3.955 1.00 0.00 O ATOM 1211 CB LEU A 82 4.301 2.230 3.273 1.00 0.00 C ATOM 1212 CG LEU A 82 5.228 1.039 3.547 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.922 0.628 2.276 1.00 0.00 C ATOM 1214 CD2 LEU A 82 6.243 1.344 4.628 1.00 0.00 C ATOM 0 H LEU A 82 2.440 1.589 5.032 1.00 0.00 H new ATOM 0 HA LEU A 82 4.707 3.338 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.418 1.854 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.814 2.900 2.582 1.00 0.00 H new ATOM 0 HG LEU A 82 4.612 0.215 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.579 -0.218 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.179 0.341 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.512 1.463 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.877 0.472 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.859 2.189 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.725 1.590 5.555 1.00 0.00 H new ATOM 1226 N VAL A 83 1.852 4.215 3.588 1.00 0.00 N ATOM 1227 CA VAL A 83 1.151 5.337 2.934 1.00 0.00 C ATOM 1228 C VAL A 83 1.180 6.613 3.764 1.00 0.00 C ATOM 1229 O VAL A 83 1.268 7.696 3.229 1.00 0.00 O ATOM 1230 CB VAL A 83 -0.314 5.027 2.463 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -1.223 4.739 3.620 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -0.874 6.193 1.670 1.00 0.00 C ATOM 0 H VAL A 83 1.280 3.381 3.724 1.00 0.00 H new ATOM 0 HA VAL A 83 1.731 5.495 2.025 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.266 4.139 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.227 4.530 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.851 3.874 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.253 5.604 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.890 5.961 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.884 7.086 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.250 6.370 0.794 1.00 0.00 H new ATOM 1242 N GLU A 84 1.163 6.466 5.064 1.00 0.00 N ATOM 1243 CA GLU A 84 1.200 7.602 5.969 1.00 0.00 C ATOM 1244 C GLU A 84 2.480 8.415 5.778 1.00 0.00 C ATOM 1245 O GLU A 84 2.469 9.625 5.896 1.00 0.00 O ATOM 1246 CB GLU A 84 1.011 7.092 7.436 1.00 0.00 C ATOM 1247 CG GLU A 84 1.210 8.094 8.604 1.00 0.00 C ATOM 1248 CD GLU A 84 2.660 8.531 8.800 1.00 0.00 C ATOM 1249 OE1 GLU A 84 3.571 7.665 8.736 1.00 0.00 O ATOM 1250 OE2 GLU A 84 2.907 9.732 8.976 1.00 0.00 O1- ATOM 0 H GLU A 84 1.123 5.560 5.531 1.00 0.00 H new ATOM 0 HA GLU A 84 0.381 8.285 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.003 6.685 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.702 6.263 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.596 8.976 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.850 7.639 9.526 1.00 0.00 H new ATOM 1257 N SER A 85 3.549 7.769 5.468 1.00 0.00 N ATOM 1258 CA SER A 85 4.790 8.450 5.359 1.00 0.00 C ATOM 1259 C SER A 85 4.941 9.125 3.987 1.00 0.00 C ATOM 1260 O SER A 85 5.565 10.151 3.878 1.00 0.00 O ATOM 1261 CB SER A 85 5.907 7.480 5.683 1.00 0.00 C ATOM 1262 OG SER A 85 5.662 6.898 6.977 1.00 0.00 O ATOM 0 H SER A 85 3.589 6.766 5.285 1.00 0.00 H new ATOM 0 HA SER A 85 4.836 9.266 6.081 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.960 6.700 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.867 7.996 5.678 1.00 0.00 H new ATOM 0 HG SER A 85 4.938 7.385 7.423 1.00 0.00 H new ATOM 1268 N ILE A 86 4.355 8.515 2.988 1.00 0.00 N ATOM 1269 CA ILE A 86 4.329 8.993 1.589 1.00 0.00 C ATOM 1270 C ILE A 86 3.237 10.048 1.276 1.00 0.00 C ATOM 1271 O ILE A 86 3.379 10.776 0.313 1.00 0.00 O ATOM 1272 CB ILE A 86 4.350 7.773 0.551 1.00 0.00 C ATOM 1273 CG1 ILE A 86 3.827 8.097 -0.891 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.589 6.617 1.102 1.00 0.00 C ATOM 1275 CD1 ILE A 86 2.294 7.939 -1.074 1.00 0.00 C ATOM 0 H ILE A 86 3.857 7.634 3.110 1.00 0.00 H new ATOM 0 HA ILE A 86 5.257 9.550 1.456 1.00 0.00 H new ATOM 0 HB ILE A 86 5.407 7.536 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.106 9.120 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.334 7.444 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.610 5.794 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.043 6.296 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.556 6.914 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.023 8.184 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.006 6.910 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.775 8.612 -0.392 1.00 0.00 H new ATOM 1287 N ARG A 87 2.212 10.168 2.160 1.00 0.00 N ATOM 1288 CA ARG A 87 0.908 10.795 1.814 1.00 0.00 C ATOM 1289 C ARG A 87 0.966 12.028 0.830 1.00 0.00 C ATOM 1290 O ARG A 87 0.605 11.865 -0.344 1.00 0.00 O ATOM 1291 CB ARG A 87 0.197 11.182 3.127 1.00 0.00 C ATOM 1292 CG ARG A 87 -0.568 10.060 3.761 1.00 0.00 C ATOM 1293 CD ARG A 87 -1.121 10.455 5.108 1.00 0.00 C ATOM 1294 NE ARG A 87 -1.830 9.334 5.748 1.00 0.00 N ATOM 1295 CZ ARG A 87 -2.050 9.214 7.065 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -1.623 10.163 7.904 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -2.687 8.134 7.541 1.00 0.00 N ATOM 0 H ARG A 87 2.264 9.837 3.123 1.00 0.00 H new ATOM 0 HA ARG A 87 0.353 10.046 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.940 11.547 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.487 12.007 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.386 9.760 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.083 9.193 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.308 10.789 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.802 11.298 4.990 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.181 8.592 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.129 10.979 7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.791 10.071 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.003 7.405 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.855 8.041 8.543 1.00 0.00 H new ATOM 1311 N ARG A 88 1.344 13.226 1.229 1.00 0.00 N ATOM 1312 CA ARG A 88 1.702 14.191 0.182 1.00 0.00 C ATOM 1313 C ARG A 88 3.178 14.202 0.057 1.00 0.00 C ATOM 1314 O ARG A 88 3.753 13.755 -0.919 1.00 0.00 O ATOM 1315 CB ARG A 88 1.138 15.577 0.415 1.00 0.00 C ATOM 1316 CG ARG A 88 1.589 16.630 -0.603 1.00 0.00 C ATOM 1317 CD ARG A 88 1.051 17.998 -0.236 1.00 0.00 C ATOM 1318 NE ARG A 88 1.695 19.089 -0.979 1.00 0.00 N ATOM 1319 CZ ARG A 88 2.435 20.054 -0.394 1.00 0.00 C ATOM 1320 NH1 ARG A 88 2.797 19.934 0.894 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 2.868 21.099 -1.115 1.00 0.00 N ATOM 0 H ARG A 88 1.413 13.550 2.194 1.00 0.00 H new ATOM 0 HA ARG A 88 1.246 13.873 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.050 15.519 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.426 15.909 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.678 16.661 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.242 16.353 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.022 18.022 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.191 18.162 0.832 1.00 0.00 H new ATOM 0 HE ARG A 88 1.577 19.119 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.513 19.114 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.356 20.663 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.638 21.165 -2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.427 21.828 -0.672 1.00 0.00 H new ATOM 1335 N GLU A 89 3.781 14.836 1.050 1.00 0.00 N ATOM 1336 CA GLU A 89 5.134 14.638 1.340 1.00 0.00 C ATOM 1337 C GLU A 89 5.094 13.592 2.427 1.00 0.00 C ATOM 1338 O GLU A 89 5.391 12.437 2.237 1.00 0.00 O ATOM 1339 CB GLU A 89 5.805 15.934 1.913 1.00 0.00 C ATOM 1340 CG GLU A 89 4.953 17.246 1.953 1.00 0.00 C ATOM 1341 CD GLU A 89 3.671 17.179 2.810 1.00 0.00 C ATOM 1342 OE1 GLU A 89 3.658 16.530 3.875 1.00 0.00 O1- ATOM 1343 OE2 GLU A 89 2.643 17.706 2.362 1.00 0.00 O ATOM 0 H GLU A 89 3.314 15.502 1.665 1.00 0.00 H new ATOM 0 HA GLU A 89 5.705 14.361 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.134 15.718 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.700 16.135 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.580 18.054 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.674 17.509 0.933 1.00 0.00 H new ATOM 1350 N LYS A 90 4.727 14.093 3.604 1.00 0.00 N ATOM 1351 CA LYS A 90 4.341 13.362 4.751 1.00 0.00 C ATOM 1352 C LYS A 90 2.836 13.270 4.948 1.00 0.00 C ATOM 1353 O LYS A 90 2.318 12.250 5.322 1.00 0.00 O ATOM 1354 CB LYS A 90 4.997 13.888 6.030 1.00 0.00 C ATOM 1355 CG LYS A 90 6.428 13.421 6.264 1.00 0.00 C ATOM 1356 CD LYS A 90 6.572 11.874 6.357 1.00 0.00 C ATOM 1357 CE LYS A 90 5.796 11.202 7.532 1.00 0.00 C ATOM 1358 NZ LYS A 90 4.302 11.199 7.382 1.00 0.00 N1+ ATOM 0 H LYS A 90 4.698 15.100 3.766 1.00 0.00 H new ATOM 0 HA LYS A 90 4.704 12.353 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.987 14.978 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.389 13.585 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.058 13.788 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.801 13.868 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.229 11.437 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.630 11.629 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.139 10.172 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.053 11.715 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.919 10.301 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.897 11.989 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.054 11.306 6.378 1.00 0.00 H new ATOM 1372 N THR A 91 2.158 14.400 4.781 1.00 0.00 N ATOM 1373 CA THR A 91 0.827 14.541 5.366 1.00 0.00 C ATOM 1374 C THR A 91 -0.410 14.547 4.444 1.00 0.00 C ATOM 1375 O THR A 91 -1.350 13.790 4.695 1.00 0.00 O ATOM 1376 CB THR A 91 0.798 15.826 6.220 1.00 0.00 C ATOM 1377 OG1 THR A 91 1.194 16.953 5.403 1.00 0.00 O ATOM 1378 CG2 THR A 91 1.733 15.711 7.422 1.00 0.00 C ATOM 0 H THR A 91 2.494 15.211 4.261 1.00 0.00 H new ATOM 0 HA THR A 91 0.713 13.612 5.924 1.00 0.00 H new ATOM 0 HB THR A 91 -0.217 15.971 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.091 16.795 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.691 16.631 8.005 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.423 14.872 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.753 15.547 7.075 1.00 0.00 H new ATOM 1386 N GLN A 92 -0.421 15.373 3.406 1.00 0.00 N ATOM 1387 CA GLN A 92 -1.680 15.627 2.670 1.00 0.00 C ATOM 1388 C GLN A 92 -2.239 14.445 1.839 1.00 0.00 C ATOM 1389 O GLN A 92 -1.586 13.465 1.599 1.00 0.00 O ATOM 1390 CB GLN A 92 -1.653 16.937 1.862 1.00 0.00 C ATOM 1391 CG GLN A 92 -1.320 18.201 2.666 1.00 0.00 C ATOM 1392 CD GLN A 92 -2.215 18.405 3.872 1.00 0.00 C ATOM 1393 OE1 GLN A 92 -3.275 18.994 3.773 1.00 0.00 O ATOM 1394 NE2 GLN A 92 -1.756 17.986 5.022 1.00 0.00 N ATOM 0 H GLN A 92 0.395 15.872 3.052 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.404 15.746 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.922 16.834 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.626 17.073 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.283 18.148 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.401 19.069 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.863 17.495 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.291 18.150 5.875 1.00 0.00 H new ATOM 1403 N ASN A 93 -3.460 14.627 1.406 1.00 0.00 N ATOM 1404 CA ASN A 93 -4.336 13.628 0.739 1.00 0.00 C ATOM 1405 C ASN A 93 -4.104 13.390 -0.761 1.00 0.00 C ATOM 1406 O ASN A 93 -4.787 12.566 -1.305 1.00 0.00 O ATOM 1407 CB ASN A 93 -5.833 13.893 1.026 1.00 0.00 C ATOM 1408 CG ASN A 93 -6.331 15.212 0.427 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.563 16.158 0.262 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -7.608 15.297 0.125 1.00 0.00 N ATOM 0 H ASN A 93 -3.924 15.530 1.505 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.027 12.692 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.426 13.071 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.994 13.906 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.985 16.164 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.221 14.496 0.273 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.193 14.111 -1.409 1.00 0.00 N ATOM 1418 CA PHE A 94 -3.018 14.088 -2.914 1.00 0.00 C ATOM 1419 C PHE A 94 -3.297 12.686 -3.592 1.00 0.00 C ATOM 1420 O PHE A 94 -4.198 12.583 -4.411 1.00 0.00 O ATOM 1421 CB PHE A 94 -1.598 14.589 -3.268 1.00 0.00 C ATOM 1422 CG PHE A 94 -1.305 14.682 -4.746 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -1.874 15.684 -5.516 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -0.450 13.777 -5.358 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -1.599 15.780 -6.867 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -0.172 13.866 -6.708 1.00 0.00 C ATOM 1427 CZ PHE A 94 -0.747 14.869 -7.463 1.00 0.00 C ATOM 0 H PHE A 94 -2.542 14.736 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.779 14.753 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.454 15.573 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.869 13.921 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.540 16.398 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 94 0.004 12.992 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.049 16.565 -7.456 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.493 13.153 -7.172 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.531 14.942 -8.519 1.00 0.00 H new ATOM 1437 N LEU A 95 -2.562 11.641 -3.242 1.00 0.00 N ATOM 1438 CA LEU A 95 -2.855 10.283 -3.797 1.00 0.00 C ATOM 1439 C LEU A 95 -3.839 9.535 -2.900 1.00 0.00 C ATOM 1440 O LEU A 95 -4.571 8.647 -3.314 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.583 9.433 -3.896 1.00 0.00 C ATOM 1442 CG LEU A 95 -0.519 9.846 -4.921 1.00 0.00 C ATOM 1443 CD1 LEU A 95 0.598 8.816 -4.943 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.119 9.969 -6.308 1.00 0.00 C ATOM 0 H LEU A 95 -1.774 11.680 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.279 10.435 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.112 9.420 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.882 8.409 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.121 10.818 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.352 9.112 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.054 8.752 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.190 7.843 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.343 10.263 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.540 9.010 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.906 10.723 -6.298 1.00 0.00 H new ATOM 1456 N ILE A 96 -3.854 9.972 -1.702 1.00 0.00 N ATOM 1457 CA ILE A 96 -4.438 9.299 -0.542 1.00 0.00 C ATOM 1458 C ILE A 96 -5.958 9.401 -0.573 1.00 0.00 C ATOM 1459 O ILE A 96 -6.665 8.544 -0.059 1.00 0.00 O ATOM 1460 CB ILE A 96 -3.879 9.951 0.783 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -2.536 10.620 0.506 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -3.615 8.896 1.846 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -1.484 9.676 0.023 1.00 0.00 C ATOM 0 H ILE A 96 -3.437 10.870 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.164 8.244 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.627 10.665 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.677 11.404 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.186 11.104 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.231 9.375 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.543 8.375 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.881 8.181 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.558 10.223 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.314 8.905 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.812 9.210 -0.906 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.440 10.459 -1.191 1.00 0.00 N ATOM 1476 CA GLN A 97 -7.860 10.732 -1.332 1.00 0.00 C ATOM 1477 C GLN A 97 -8.539 9.627 -2.152 1.00 0.00 C ATOM 1478 O GLN A 97 -9.744 9.360 -1.993 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.050 12.101 -2.011 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.489 12.604 -2.056 1.00 0.00 C ATOM 1481 CD GLN A 97 -10.100 12.706 -0.676 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -9.989 13.722 -0.008 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -10.750 11.660 -0.248 1.00 0.00 N ATOM 0 H GLN A 97 -5.846 11.169 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.322 10.753 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.440 12.837 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.670 12.040 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.516 13.582 -2.537 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.089 11.931 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.822 10.829 -0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.187 11.673 0.674 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.744 8.956 -2.985 1.00 0.00 N ATOM 1493 CA LYS A 98 -8.229 7.887 -3.837 1.00 0.00 C ATOM 1494 C LYS A 98 -8.649 6.692 -2.976 1.00 0.00 C ATOM 1495 O LYS A 98 -9.550 5.960 -3.333 1.00 0.00 O ATOM 1496 CB LYS A 98 -7.136 7.461 -4.843 1.00 0.00 C ATOM 1497 CG LYS A 98 -7.598 6.507 -5.952 1.00 0.00 C ATOM 1498 CD LYS A 98 -8.546 7.205 -6.921 1.00 0.00 C ATOM 1499 CE LYS A 98 -9.013 6.282 -8.046 1.00 0.00 C ATOM 1500 NZ LYS A 98 -9.859 5.175 -7.560 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.746 9.143 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.092 8.246 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.724 8.357 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.325 6.985 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.731 6.130 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.097 5.645 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.413 7.574 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.047 8.074 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.570 6.864 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.143 5.871 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.500 4.869 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.256 4.377 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.418 5.497 -6.744 1.00 0.00 H new ATOM 1514 N ILE A 99 -8.021 6.551 -1.811 1.00 0.00 N ATOM 1515 CA ILE A 99 -8.315 5.449 -0.901 1.00 0.00 C ATOM 1516 C ILE A 99 -9.738 5.592 -0.365 1.00 0.00 C ATOM 1517 O ILE A 99 -10.473 4.611 -0.259 1.00 0.00 O ATOM 1518 CB ILE A 99 -7.312 5.401 0.288 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.865 5.371 -0.236 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -7.588 4.180 1.176 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -4.807 5.306 0.850 1.00 0.00 C ATOM 0 H ILE A 99 -7.301 7.191 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.217 4.518 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.445 6.300 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.747 4.510 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.692 6.260 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.877 4.163 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.602 4.239 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.481 3.270 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.817 5.288 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.893 6.180 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.949 4.402 1.443 1.00 0.00 H new ATOM 1533 N THR A 100 -10.130 6.827 -0.060 1.00 0.00 N ATOM 1534 CA THR A 100 -11.470 7.116 0.414 1.00 0.00 C ATOM 1535 C THR A 100 -12.476 6.757 -0.683 1.00 0.00 C ATOM 1536 O THR A 100 -13.511 6.134 -0.427 1.00 0.00 O ATOM 1537 CB THR A 100 -11.594 8.610 0.741 1.00 0.00 C ATOM 1538 OG1 THR A 100 -10.460 9.011 1.529 1.00 0.00 O ATOM 1539 CG2 THR A 100 -12.878 8.892 1.516 1.00 0.00 C ATOM 0 H THR A 100 -9.528 7.647 -0.136 1.00 0.00 H new ATOM 0 HA THR A 100 -11.671 6.532 1.312 1.00 0.00 H new ATOM 0 HB THR A 100 -11.625 9.174 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.530 9.965 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.943 9.958 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.738 8.592 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.871 8.328 2.449 1.00 0.00 H new ATOM 1547 N ASP A 101 -12.120 7.130 -1.903 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.909 6.842 -3.091 1.00 0.00 C ATOM 1549 C ASP A 101 -13.101 5.335 -3.270 1.00 0.00 C ATOM 1550 O ASP A 101 -14.205 4.870 -3.587 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.238 7.482 -4.329 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.695 6.887 -5.647 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -13.881 6.912 -5.962 1.00 0.00 O1- ATOM 1554 OD2 ASP A 101 -11.860 6.290 -6.356 1.00 0.00 O ATOM 0 H ASP A 101 -11.263 7.648 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.901 7.278 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.447 8.552 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.157 7.368 -4.245 1.00 0.00 H new ATOM 1559 N GLU A 102 -12.050 4.574 -3.045 1.00 0.00 N ATOM 1560 CA GLU A 102 -12.123 3.133 -3.174 1.00 0.00 C ATOM 1561 C GLU A 102 -12.965 2.526 -2.058 1.00 0.00 C ATOM 1562 O GLU A 102 -13.962 1.883 -2.336 1.00 0.00 O ATOM 1563 CB GLU A 102 -10.730 2.492 -3.213 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.813 3.043 -4.301 1.00 0.00 C ATOM 1565 CD GLU A 102 -10.307 2.859 -5.732 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -11.515 3.042 -6.018 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -9.456 2.643 -6.622 1.00 0.00 O1- ATOM 0 H GLU A 102 -11.134 4.930 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.609 2.919 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.251 2.634 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.842 1.418 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.664 4.108 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.838 2.564 -4.207 1.00 0.00 H new ATOM 1574 N VAL A 103 -12.598 2.799 -0.811 1.00 0.00 N ATOM 1575 CA VAL A 103 -13.271 2.227 0.385 1.00 0.00 C ATOM 1576 C VAL A 103 -14.813 2.283 0.306 1.00 0.00 C ATOM 1577 O VAL A 103 -15.486 1.264 0.439 1.00 0.00 O ATOM 1578 CB VAL A 103 -12.739 2.899 1.711 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -13.672 2.675 2.893 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -11.378 2.335 2.068 1.00 0.00 C ATOM 0 H VAL A 103 -11.824 3.424 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.010 1.169 0.405 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.680 3.970 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -13.259 3.158 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.650 3.101 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -13.776 1.606 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.019 2.804 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -11.458 1.259 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.677 2.536 1.258 1.00 0.00 H new ATOM 1590 N LEU A 104 -15.344 3.449 0.023 1.00 0.00 N ATOM 1591 CA LEU A 104 -16.792 3.637 -0.031 1.00 0.00 C ATOM 1592 C LEU A 104 -17.406 2.955 -1.291 1.00 0.00 C ATOM 1593 O LEU A 104 -18.544 2.471 -1.262 1.00 0.00 O ATOM 1594 CB LEU A 104 -17.154 5.157 -0.014 1.00 0.00 C ATOM 1595 CG LEU A 104 -17.043 5.948 1.331 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -15.658 5.871 1.956 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -17.423 7.406 1.116 1.00 0.00 C ATOM 0 H LEU A 104 -14.801 4.290 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 104 -17.217 3.164 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.515 5.656 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.180 5.255 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.737 5.475 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.646 6.440 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.410 4.830 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.924 6.288 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -17.342 7.946 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.751 7.853 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -18.449 7.465 0.751 1.00 0.00 H new ATOM 1609 N LYS A 105 -16.636 2.917 -2.378 1.00 0.00 N ATOM 1610 CA LYS A 105 -17.082 2.348 -3.666 1.00 0.00 C ATOM 1611 C LYS A 105 -17.183 0.827 -3.572 1.00 0.00 C ATOM 1612 O LYS A 105 -18.169 0.217 -3.998 1.00 0.00 O ATOM 1613 CB LYS A 105 -16.068 2.701 -4.760 1.00 0.00 C ATOM 1614 CG LYS A 105 -16.444 2.236 -6.161 1.00 0.00 C ATOM 1615 CD LYS A 105 -15.286 2.348 -7.183 1.00 0.00 C ATOM 1616 CE LYS A 105 -14.743 3.777 -7.387 1.00 0.00 C ATOM 1617 NZ LYS A 105 -13.870 4.241 -6.288 1.00 0.00 N1+ ATOM 0 H LYS A 105 -15.682 3.278 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 105 -18.061 2.763 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.935 3.783 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.104 2.266 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.777 1.199 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -17.289 2.826 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.468 1.706 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.629 1.964 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.186 3.815 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.583 4.465 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.215 5.156 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.883 3.544 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.897 4.350 -6.640 1.00 0.00 H new ATOM 1631 N LEU A 106 -16.160 0.244 -2.989 1.00 0.00 N ATOM 1632 CA LEU A 106 -16.015 -1.196 -2.820 1.00 0.00 C ATOM 1633 C LEU A 106 -17.133 -1.847 -1.990 1.00 0.00 C ATOM 1634 O LEU A 106 -17.193 -3.059 -1.948 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.624 -1.565 -2.248 1.00 0.00 C ATOM 1636 CG LEU A 106 -13.401 -1.706 -3.211 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -13.581 -2.840 -4.190 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -13.089 -0.432 -3.949 1.00 0.00 C ATOM 0 H LEU A 106 -15.376 0.771 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 106 -16.105 -1.609 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -14.367 -0.810 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.731 -2.511 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.549 -1.933 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.708 -2.902 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.695 -3.777 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.471 -2.662 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.231 -0.591 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.951 -0.138 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.859 0.356 -3.233 1.00 0.00 H new ATOM 1650 N ARG A 107 -18.018 -1.054 -1.328 1.00 0.00 N ATOM 1651 CA ARG A 107 -19.093 -1.636 -0.468 1.00 0.00 C ATOM 1652 C ARG A 107 -19.900 -2.718 -1.221 1.00 0.00 C ATOM 1653 O ARG A 107 -20.307 -3.725 -0.645 1.00 0.00 O ATOM 1654 CB ARG A 107 -20.082 -0.583 0.107 1.00 0.00 C ATOM 1655 CG ARG A 107 -21.155 -0.060 -0.860 1.00 0.00 C ATOM 1656 CD ARG A 107 -22.383 0.503 -0.113 1.00 0.00 C ATOM 1657 NE ARG A 107 -22.137 1.771 0.599 1.00 0.00 N ATOM 1658 CZ ARG A 107 -22.527 2.032 1.880 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -22.889 1.040 2.701 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -22.428 3.268 2.370 1.00 0.00 N ATOM 0 H ARG A 107 -18.013 -0.035 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 107 -18.560 -2.081 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -20.583 -1.020 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.504 0.267 0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.726 0.719 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.471 -0.867 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -23.191 0.654 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -22.728 -0.241 0.605 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.639 2.506 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.875 0.075 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.179 1.249 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.060 4.020 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.720 3.462 3.328 1.00 0.00 H new ATOM 1674 N ASN A 108 -20.068 -2.513 -2.535 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.800 -3.438 -3.415 1.00 0.00 C ATOM 1676 C ASN A 108 -20.167 -4.830 -3.371 1.00 0.00 C ATOM 1677 O ASN A 108 -20.856 -5.844 -3.404 1.00 0.00 O ATOM 1678 CB ASN A 108 -20.788 -2.892 -4.858 1.00 0.00 C ATOM 1679 CG ASN A 108 -21.464 -3.770 -5.889 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -21.050 -3.816 -7.029 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -22.527 -4.421 -5.522 1.00 0.00 N ATOM 0 H ASN A 108 -19.698 -1.696 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.830 -3.519 -3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -21.272 -1.916 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.753 -2.736 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.036 -4.989 -6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.852 -4.364 -4.557 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.869 -4.841 -3.198 1.00 0.00 N ATOM 1689 CA ILE A 109 -18.075 -6.038 -3.174 1.00 0.00 C ATOM 1690 C ILE A 109 -18.370 -6.890 -1.932 1.00 0.00 C ATOM 1691 O ILE A 109 -18.363 -8.118 -1.989 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.567 -5.669 -3.292 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.294 -4.963 -4.639 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -15.655 -6.861 -3.123 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -16.637 -5.783 -5.877 1.00 0.00 C ATOM 0 H ILE A 109 -18.322 -3.990 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.343 -6.655 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.342 -4.987 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -16.864 -4.034 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -15.239 -4.691 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -14.617 -6.541 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.812 -7.303 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.877 -7.601 -3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -16.411 -5.203 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -16.048 -6.700 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -17.698 -6.033 -5.865 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.665 -6.252 -0.827 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.957 -6.991 0.388 1.00 0.00 C ATOM 1709 C LYS A 110 -20.422 -7.309 0.578 1.00 0.00 C ATOM 1710 O LYS A 110 -20.791 -7.974 1.536 1.00 0.00 O ATOM 1711 CB LYS A 110 -18.298 -6.405 1.623 1.00 0.00 C ATOM 1712 CG LYS A 110 -16.779 -6.516 1.587 1.00 0.00 C ATOM 1713 CD LYS A 110 -16.278 -7.967 1.533 1.00 0.00 C ATOM 1714 CE LYS A 110 -14.749 -8.027 1.464 1.00 0.00 C ATOM 1715 NZ LYS A 110 -14.224 -7.429 0.217 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.711 -5.237 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.483 -7.962 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.580 -5.356 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.675 -6.917 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.402 -5.976 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.365 -6.028 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.626 -8.507 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.703 -8.468 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -14.327 -7.504 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -14.424 -9.065 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.870 -8.182 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.984 -6.909 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -13.448 -6.775 0.445 1.00 0.00 H new ATOM 1729 N LEU A 111 -21.257 -6.864 -0.339 1.00 0.00 N ATOM 1730 CA LEU A 111 -22.671 -7.211 -0.279 1.00 0.00 C ATOM 1731 C LEU A 111 -22.839 -8.722 -0.470 1.00 0.00 C ATOM 1732 O LEU A 111 -23.679 -9.336 0.152 1.00 0.00 O ATOM 1733 CB LEU A 111 -23.490 -6.422 -1.309 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.480 -4.889 -1.157 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -24.349 -4.243 -2.220 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -23.950 -4.467 0.232 1.00 0.00 C ATOM 0 H LEU A 111 -20.992 -6.270 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 111 -23.055 -6.937 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -23.119 -6.670 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -24.524 -6.764 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.452 -4.550 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.330 -3.160 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.969 -4.503 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -25.373 -4.601 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -23.932 -3.380 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.966 -4.825 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -23.288 -4.894 0.985 1.00 0.00 H new ATOM 1748 N GLU A 112 -21.965 -9.320 -1.275 1.00 0.00 N ATOM 1749 CA GLU A 112 -21.978 -10.766 -1.486 1.00 0.00 C ATOM 1750 C GLU A 112 -21.424 -11.547 -0.298 1.00 0.00 C ATOM 1751 O GLU A 112 -21.555 -12.770 -0.224 1.00 0.00 O ATOM 1752 CB GLU A 112 -21.303 -11.163 -2.801 1.00 0.00 C ATOM 1753 CG GLU A 112 -22.238 -11.047 -3.990 1.00 0.00 C ATOM 1754 CD GLU A 112 -23.476 -11.887 -3.752 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -23.434 -13.099 -3.977 1.00 0.00 O ATOM 1756 OE2 GLU A 112 -24.472 -11.364 -3.213 1.00 0.00 O1- ATOM 0 H GLU A 112 -21.238 -8.826 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 112 -23.028 -11.048 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -20.432 -10.529 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -20.942 -12.189 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -22.518 -10.005 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.731 -11.378 -4.897 1.00 0.00 H new ATOM 1763 N HIS A 113 -20.873 -10.824 0.654 1.00 0.00 N ATOM 1764 CA HIS A 113 -20.327 -11.392 1.881 1.00 0.00 C ATOM 1765 C HIS A 113 -21.468 -11.745 2.834 1.00 0.00 C ATOM 1766 O HIS A 113 -21.296 -12.525 3.763 1.00 0.00 O ATOM 1767 CB HIS A 113 -19.336 -10.387 2.507 1.00 0.00 C ATOM 1768 CG HIS A 113 -18.772 -10.715 3.866 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -17.736 -11.596 4.065 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -19.048 -10.188 5.078 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -17.395 -11.579 5.339 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -18.167 -10.731 5.974 1.00 0.00 N ATOM 0 H HIS A 113 -20.788 -9.809 0.602 1.00 0.00 H new ATOM 0 HA HIS A 113 -19.782 -12.312 1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -18.501 -10.265 1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -19.836 -9.421 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -19.823 -9.469 5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.608 -12.168 5.786 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -18.119 -10.512 6.969 1.00 0.00 H new ATOM 1781 N LEU A 114 -22.613 -11.153 2.593 1.00 0.00 N ATOM 1782 CA LEU A 114 -23.793 -11.390 3.382 1.00 0.00 C ATOM 1783 C LEU A 114 -24.937 -11.788 2.463 1.00 0.00 C ATOM 1784 O LEU A 114 -24.768 -11.739 1.236 1.00 0.00 O ATOM 1785 CB LEU A 114 -24.119 -10.134 4.248 1.00 0.00 C ATOM 1786 CG LEU A 114 -24.239 -8.763 3.521 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -25.536 -8.624 2.724 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -24.098 -7.617 4.512 1.00 0.00 C ATOM 0 H LEU A 114 -22.751 -10.486 1.834 1.00 0.00 H new ATOM 0 HA LEU A 114 -23.628 -12.213 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -25.058 -10.321 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -23.345 -10.042 5.010 1.00 0.00 H new ATOM 0 HG LEU A 114 -23.421 -8.719 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.563 -7.648 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -25.583 -9.406 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.388 -8.718 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -24.185 -6.667 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -24.884 -7.688 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -23.124 -7.674 4.998 1.00 0.00 H new ATOM 1800 N LYS A 115 -26.043 -12.210 3.054 1.00 0.00 N ATOM 1801 CA LYS A 115 -27.303 -12.583 2.402 1.00 0.00 C ATOM 1802 C LYS A 115 -28.181 -13.212 3.448 1.00 0.00 C ATOM 1803 O LYS A 115 -28.760 -12.459 4.234 1.00 0.00 O ATOM 1804 CB LYS A 115 -27.133 -13.551 1.202 1.00 0.00 C ATOM 1805 CG LYS A 115 -27.198 -12.862 -0.164 1.00 0.00 C ATOM 1806 CD LYS A 115 -26.816 -13.796 -1.311 1.00 0.00 C ATOM 1807 CE LYS A 115 -25.354 -14.227 -1.215 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.450 -13.064 -1.173 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -28.234 -14.448 3.507 1.00 0.00 O1- ATOM 0 H LYS A 115 -26.095 -12.310 4.068 1.00 0.00 H new ATOM 0 HA LYS A 115 -27.744 -11.679 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -26.176 -14.064 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -27.910 -14.314 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -28.207 -12.484 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -26.531 -12.000 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -27.458 -14.676 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -26.987 -13.294 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -25.210 -14.833 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.102 -14.855 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.517 -13.336 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -24.843 -12.298 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.351 -12.736 -0.191 1.00 0.00 H new