USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 795 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 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 95 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 82 GLN :FLIP amide:sc= -0.044 F(o=-1.8!,f=-0.55) USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= -0.504 F(o=-1.8,f=-0.55) USER MOD Set 3.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 52 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.5!) USER MOD Set 4.2: A 59 TYR OH : rot 30:sc= -0.0598 USER MOD Single : A 3 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.69 F(o=-1.7!,f=-0.69) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -50:sc= 1.05 USER MOD Single : A 31 SER OG : rot 63:sc= 0.207 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0.18 K(o=0.18,f=-1.3!) USER MOD Single : A 34 MET CE :methyl -149:sc= -6.48! (180deg=-7.89!) USER MOD Single : A 49 SER OG : rot -142:sc= -2.24! USER MOD Single : A 50 THR OG1 : rot 112:sc= -1.66! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 60 TYR OH : rot 90:sc= -0.823 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00522 USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.355 (180deg=-1.82!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 81:sc= -0.23 USER MOD Single : A 74 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.365 (180deg=-1.05) USER MOD Single : A 77 ASN : amide:sc= -3.78! C(o=-3.8!,f=-10!) USER MOD Single : A 83 MET CE :methyl -114:sc= -2.45 (180deg=-4.87!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -135:sc= 0.443 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 94 TYR OH : rot 174:sc= 1.89 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 35:sc= 0.343 USER MOD Single : A 100 SER OG : rot 40:sc= 0.555 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot -140:sc= -0.393 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.295 -9.324 5.956 1.00 0.00 N ATOM 16 CA VAL A 2 -8.326 -9.573 4.894 1.00 0.00 C ATOM 17 C VAL A 2 -6.901 -9.301 5.372 1.00 0.00 C ATOM 18 O VAL A 2 -6.588 -8.205 5.838 1.00 0.00 O ATOM 19 CB VAL A 2 -8.625 -8.709 3.647 1.00 0.00 C ATOM 20 CG1 VAL A 2 -9.213 -7.366 4.049 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.374 -8.512 2.806 1.00 0.00 C ATOM 0 HA VAL A 2 -8.413 -10.625 4.622 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.360 -9.240 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.415 -6.775 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.142 -7.525 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.504 -6.834 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.613 -7.901 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.610 -8.012 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.000 -9.482 2.477 1.00 0.00 H new ATOM 31 N GLN A 3 -6.045 -10.308 5.242 1.00 0.00 N ATOM 32 CA GLN A 3 -4.649 -10.193 5.646 1.00 0.00 C ATOM 33 C GLN A 3 -3.737 -10.324 4.433 1.00 0.00 C ATOM 34 O GLN A 3 -3.986 -11.144 3.551 1.00 0.00 O ATOM 35 CB GLN A 3 -4.304 -11.272 6.674 1.00 0.00 C ATOM 36 CG GLN A 3 -3.671 -10.726 7.944 1.00 0.00 C ATOM 37 CD GLN A 3 -2.254 -11.224 8.150 1.00 0.00 C ATOM 38 OE1 GLN A 3 -1.914 -11.744 9.212 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.418 -11.066 7.130 1.00 0.00 N ATOM 0 H GLN A 3 -6.296 -11.219 4.857 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.499 -9.213 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.212 -11.816 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.622 -11.990 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.667 -9.637 7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.281 -11.012 8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.743 -10.629 6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.451 -11.381 7.209 1.00 0.00 H new ATOM 48 N LEU A 4 -2.684 -9.512 4.386 1.00 0.00 N ATOM 49 CA LEU A 4 -1.751 -9.554 3.265 1.00 0.00 C ATOM 50 C LEU A 4 -0.355 -9.953 3.728 1.00 0.00 C ATOM 51 O LEU A 4 -0.015 -9.815 4.903 1.00 0.00 O ATOM 52 CB LEU A 4 -1.697 -8.198 2.554 1.00 0.00 C ATOM 53 CG LEU A 4 -2.726 -7.164 3.021 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.358 -5.787 2.502 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.123 -7.544 2.554 1.00 0.00 C ATOM 0 H LEU A 4 -2.457 -8.824 5.104 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.111 -10.306 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.700 -7.778 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.833 -8.363 1.485 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.722 -7.144 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.097 -5.061 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.375 -5.507 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.338 -5.802 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.837 -6.796 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.142 -7.592 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.392 -8.517 2.965 1.00 0.00 H new ATOM 67 N GLN A 5 0.449 -10.447 2.792 1.00 0.00 N ATOM 68 CA GLN A 5 1.811 -10.869 3.095 1.00 0.00 C ATOM 69 C GLN A 5 2.804 -10.189 2.159 1.00 0.00 C ATOM 70 O GLN A 5 2.816 -10.449 0.956 1.00 0.00 O ATOM 71 CB GLN A 5 1.934 -12.390 2.977 1.00 0.00 C ATOM 72 CG GLN A 5 0.704 -13.138 3.464 1.00 0.00 C ATOM 73 CD GLN A 5 0.987 -14.597 3.767 1.00 0.00 C ATOM 74 OE1 GLN A 5 0.694 -15.085 4.859 1.00 0.00 O ATOM 75 NE2 GLN A 5 1.559 -15.303 2.798 1.00 0.00 N ATOM 0 H GLN A 5 0.180 -10.565 1.815 1.00 0.00 H new ATOM 0 HA GLN A 5 2.042 -10.575 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.120 -12.652 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.801 -12.722 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.321 -12.653 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.078 -13.073 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.785 -14.858 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.772 -16.290 2.944 1.00 0.00 H new ATOM 84 N ALA A 6 3.632 -9.313 2.719 1.00 0.00 N ATOM 85 CA ALA A 6 4.625 -8.589 1.935 1.00 0.00 C ATOM 86 C ALA A 6 5.988 -9.271 2.002 1.00 0.00 C ATOM 87 O ALA A 6 6.418 -9.719 3.064 1.00 0.00 O ATOM 88 CB ALA A 6 4.724 -7.149 2.414 1.00 0.00 C ATOM 0 H ALA A 6 3.635 -9.087 3.714 1.00 0.00 H new ATOM 0 HA ALA A 6 4.303 -8.593 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.469 -6.619 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.756 -6.661 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.018 -7.134 3.463 1.00 0.00 H new ATOM 94 N SER A 7 6.660 -9.342 0.858 1.00 0.00 N ATOM 95 CA SER A 7 7.976 -9.967 0.779 1.00 0.00 C ATOM 96 C SER A 7 8.701 -9.547 -0.496 1.00 0.00 C ATOM 97 O SER A 7 8.200 -8.726 -1.266 1.00 0.00 O ATOM 98 CB SER A 7 7.845 -11.490 0.826 1.00 0.00 C ATOM 99 OG SER A 7 9.011 -12.086 1.367 1.00 0.00 O ATOM 0 H SER A 7 6.315 -8.974 -0.029 1.00 0.00 H new ATOM 0 HA SER A 7 8.561 -9.633 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.979 -11.765 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.669 -11.874 -0.179 1.00 0.00 H new ATOM 0 HG SER A 7 8.901 -13.060 1.388 1.00 0.00 H new ATOM 105 N GLY A 8 9.882 -10.117 -0.711 1.00 0.00 N ATOM 106 CA GLY A 8 10.660 -9.791 -1.891 1.00 0.00 C ATOM 107 C GLY A 8 11.790 -8.827 -1.591 1.00 0.00 C ATOM 108 O GLY A 8 12.531 -8.429 -2.491 1.00 0.00 O ATOM 0 H GLY A 8 10.314 -10.799 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.071 -10.707 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.005 -9.355 -2.645 1.00 0.00 H new ATOM 112 N GLY A 9 11.924 -8.453 -0.322 1.00 0.00 N ATOM 113 CA GLY A 9 12.976 -7.535 0.076 1.00 0.00 C ATOM 114 C GLY A 9 14.358 -8.093 -0.196 1.00 0.00 C ATOM 115 O GLY A 9 14.545 -9.309 -0.229 1.00 0.00 O ATOM 0 H GLY A 9 11.322 -8.770 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.855 -6.593 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.879 -7.313 1.139 1.00 0.00 H new ATOM 119 N GLY A 10 15.324 -7.205 -0.399 1.00 0.00 N ATOM 120 CA GLY A 10 16.682 -7.645 -0.674 1.00 0.00 C ATOM 121 C GLY A 10 17.737 -6.636 -0.259 1.00 0.00 C ATOM 122 O GLY A 10 17.429 -5.610 0.353 1.00 0.00 O ATOM 0 H GLY A 10 15.194 -6.193 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.864 -8.585 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.782 -7.847 -1.741 1.00 0.00 H new ATOM 126 N LEU A 11 18.989 -6.939 -0.597 1.00 0.00 N ATOM 127 CA LEU A 11 20.113 -6.069 -0.271 1.00 0.00 C ATOM 128 C LEU A 11 20.568 -5.297 -1.506 1.00 0.00 C ATOM 129 O LEU A 11 20.865 -5.893 -2.542 1.00 0.00 O ATOM 130 CB LEU A 11 21.279 -6.898 0.278 1.00 0.00 C ATOM 131 CG LEU A 11 21.627 -6.656 1.749 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.861 -5.176 2.013 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.528 -7.196 2.653 1.00 0.00 C ATOM 0 H LEU A 11 19.250 -7.787 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 11 19.788 -5.358 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.043 -7.954 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.163 -6.692 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 11 22.550 -7.190 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.107 -5.028 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.686 -4.822 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.958 -4.616 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.792 -7.015 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.589 -6.693 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.415 -8.267 2.488 1.00 0.00 H new ATOM 145 N VAL A 12 20.623 -3.973 -1.394 1.00 0.00 N ATOM 146 CA VAL A 12 21.044 -3.136 -2.513 1.00 0.00 C ATOM 147 C VAL A 12 22.206 -2.230 -2.130 1.00 0.00 C ATOM 148 O VAL A 12 22.742 -2.317 -1.026 1.00 0.00 O ATOM 149 CB VAL A 12 19.889 -2.262 -3.041 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.630 -3.089 -3.216 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.634 -1.078 -2.117 1.00 0.00 C ATOM 0 H VAL A 12 20.383 -3.459 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 12 21.363 -3.820 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 12 20.179 -1.870 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.827 -2.454 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.818 -3.892 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.339 -3.516 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.815 -0.478 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.371 -1.442 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.534 -0.466 -2.053 1.00 0.00 H new ATOM 161 N GLN A 13 22.578 -1.353 -3.054 1.00 0.00 N ATOM 162 CA GLN A 13 23.662 -0.411 -2.830 1.00 0.00 C ATOM 163 C GLN A 13 23.141 1.017 -2.956 1.00 0.00 C ATOM 164 O GLN A 13 22.225 1.274 -3.736 1.00 0.00 O ATOM 165 CB GLN A 13 24.793 -0.648 -3.836 1.00 0.00 C ATOM 166 CG GLN A 13 24.810 -2.054 -4.420 1.00 0.00 C ATOM 167 CD GLN A 13 23.874 -2.208 -5.603 1.00 0.00 C ATOM 168 OE1 GLN A 13 23.838 -1.197 -6.465 1.00 0.00 O flip ATOM 169 NE2 GLN A 13 23.191 -3.222 -5.742 1.00 0.00 N flip ATOM 0 H GLN A 13 22.140 -1.276 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 13 24.055 -0.561 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.701 0.072 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.748 -0.456 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.825 -2.302 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.530 -2.768 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.250 -3.974 -5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.566 -3.310 -6.543 1.00 0.00 H new ATOM 178 N PRO A 14 23.709 1.967 -2.189 1.00 0.00 N ATOM 179 CA PRO A 14 23.283 3.371 -2.228 1.00 0.00 C ATOM 180 C PRO A 14 23.189 3.906 -3.653 1.00 0.00 C ATOM 181 O PRO A 14 24.166 4.411 -4.207 1.00 0.00 O ATOM 182 CB PRO A 14 24.384 4.091 -1.448 1.00 0.00 C ATOM 183 CG PRO A 14 24.896 3.065 -0.498 1.00 0.00 C ATOM 184 CD PRO A 14 24.805 1.750 -1.224 1.00 0.00 C ATOM 0 HA PRO A 14 22.286 3.513 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.172 4.447 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.993 4.961 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.924 3.280 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 14 24.303 3.048 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.740 1.503 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.583 0.929 -0.542 1.00 0.00 H new ATOM 192 N GLY A 15 22.003 3.785 -4.242 1.00 0.00 N ATOM 193 CA GLY A 15 21.791 4.251 -5.600 1.00 0.00 C ATOM 194 C GLY A 15 21.429 3.125 -6.552 1.00 0.00 C ATOM 195 O GLY A 15 21.613 3.245 -7.763 1.00 0.00 O ATOM 0 H GLY A 15 21.182 3.371 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.996 4.996 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.694 4.747 -5.956 1.00 0.00 H new ATOM 199 N GLY A 16 20.912 2.027 -6.002 1.00 0.00 N ATOM 200 CA GLY A 16 20.530 0.892 -6.822 1.00 0.00 C ATOM 201 C GLY A 16 19.062 0.911 -7.197 1.00 0.00 C ATOM 202 O GLY A 16 18.529 1.949 -7.592 1.00 0.00 O ATOM 0 H GLY A 16 20.752 1.905 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.133 0.885 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.752 -0.030 -6.285 1.00 0.00 H new ATOM 206 N SER A 17 18.405 -0.239 -7.073 1.00 0.00 N ATOM 207 CA SER A 17 16.987 -0.353 -7.402 1.00 0.00 C ATOM 208 C SER A 17 16.412 -1.673 -6.893 1.00 0.00 C ATOM 209 O SER A 17 16.975 -2.740 -7.135 1.00 0.00 O ATOM 210 CB SER A 17 16.784 -0.245 -8.915 1.00 0.00 C ATOM 211 OG SER A 17 17.998 -0.465 -9.612 1.00 0.00 O ATOM 0 H SER A 17 18.832 -1.106 -6.747 1.00 0.00 H new ATOM 0 HA SER A 17 16.459 0.465 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.039 -0.973 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.393 0.742 -9.163 1.00 0.00 H new ATOM 0 HG SER A 17 17.839 -0.392 -10.576 1.00 0.00 H new ATOM 217 N LEU A 18 15.286 -1.590 -6.189 1.00 0.00 N ATOM 218 CA LEU A 18 14.632 -2.779 -5.648 1.00 0.00 C ATOM 219 C LEU A 18 13.160 -2.820 -6.045 1.00 0.00 C ATOM 220 O LEU A 18 12.565 -1.792 -6.365 1.00 0.00 O ATOM 221 CB LEU A 18 14.745 -2.807 -4.120 1.00 0.00 C ATOM 222 CG LEU A 18 15.471 -4.022 -3.531 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.346 -4.027 -2.016 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.928 -5.320 -4.111 1.00 0.00 C ATOM 0 H LEU A 18 14.808 -0.714 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 18 15.136 -3.652 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.263 -1.904 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.741 -2.767 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 18 16.525 -3.948 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.866 -4.895 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.789 -3.117 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.293 -4.072 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.462 -6.165 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.866 -5.405 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.067 -5.322 -5.192 1.00 0.00 H new ATOM 236 N ARG A 19 12.579 -4.013 -6.012 1.00 0.00 N ATOM 237 CA ARG A 19 11.174 -4.192 -6.351 1.00 0.00 C ATOM 238 C ARG A 19 10.552 -5.273 -5.475 1.00 0.00 C ATOM 239 O ARG A 19 10.787 -6.464 -5.681 1.00 0.00 O ATOM 240 CB ARG A 19 11.023 -4.562 -7.827 1.00 0.00 C ATOM 241 CG ARG A 19 9.596 -4.443 -8.337 1.00 0.00 C ATOM 242 CD ARG A 19 9.055 -5.788 -8.795 1.00 0.00 C ATOM 243 NE ARG A 19 8.596 -5.748 -10.180 1.00 0.00 N ATOM 244 CZ ARG A 19 9.413 -5.776 -11.229 1.00 0.00 C ATOM 245 NH1 ARG A 19 10.726 -5.843 -11.052 1.00 0.00 N ATOM 246 NH2 ARG A 19 8.916 -5.737 -12.459 1.00 0.00 N ATOM 0 H ARG A 19 13.062 -4.873 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 19 10.654 -3.251 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.669 -3.917 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.370 -5.585 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.959 -4.043 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.562 -3.735 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.832 -6.546 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.230 -6.087 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 19 7.592 -5.696 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.113 -5.873 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.349 -5.864 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.907 -5.686 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.543 -5.758 -13.263 1.00 0.00 H new ATOM 260 N VAL A 20 9.762 -4.850 -4.494 1.00 0.00 N ATOM 261 CA VAL A 20 9.111 -5.783 -3.585 1.00 0.00 C ATOM 262 C VAL A 20 7.609 -5.846 -3.854 1.00 0.00 C ATOM 263 O VAL A 20 7.028 -4.902 -4.390 1.00 0.00 O ATOM 264 CB VAL A 20 9.373 -5.396 -2.113 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.853 -5.116 -1.900 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.536 -4.192 -1.708 1.00 0.00 C ATOM 0 H VAL A 20 9.558 -3.868 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 20 9.537 -6.770 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 20 9.080 -6.234 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.026 -4.844 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.431 -6.008 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.165 -4.295 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.740 -3.941 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.789 -3.343 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.478 -4.429 -1.824 1.00 0.00 H new ATOM 276 N SER A 21 6.988 -6.968 -3.499 1.00 0.00 N ATOM 277 CA SER A 21 5.557 -7.151 -3.728 1.00 0.00 C ATOM 278 C SER A 21 4.852 -7.702 -2.494 1.00 0.00 C ATOM 279 O SER A 21 5.493 -8.195 -1.567 1.00 0.00 O ATOM 280 CB SER A 21 5.335 -8.090 -4.913 1.00 0.00 C ATOM 281 OG SER A 21 6.017 -9.317 -4.726 1.00 0.00 O ATOM 0 H SER A 21 7.450 -7.761 -3.054 1.00 0.00 H new ATOM 0 HA SER A 21 5.129 -6.173 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.269 -8.278 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.683 -7.613 -5.829 1.00 0.00 H new ATOM 0 HG SER A 21 5.858 -9.901 -5.497 1.00 0.00 H new ATOM 287 N CYS A 22 3.524 -7.615 -2.499 1.00 0.00 N ATOM 288 CA CYS A 22 2.714 -8.103 -1.389 1.00 0.00 C ATOM 289 C CYS A 22 1.512 -8.888 -1.901 1.00 0.00 C ATOM 290 O CYS A 22 0.644 -8.338 -2.578 1.00 0.00 O ATOM 291 CB CYS A 22 2.243 -6.934 -0.521 1.00 0.00 C ATOM 292 SG CYS A 22 0.972 -7.387 0.704 1.00 0.00 S ATOM 0 H CYS A 22 2.985 -7.209 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 22 3.331 -8.768 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.102 -6.513 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.847 -6.151 -1.168 1.00 0.00 H new ATOM 297 N ALA A 23 1.469 -10.176 -1.575 1.00 0.00 N ATOM 298 CA ALA A 23 0.374 -11.035 -2.009 1.00 0.00 C ATOM 299 C ALA A 23 -0.775 -11.017 -1.005 1.00 0.00 C ATOM 300 O ALA A 23 -0.630 -11.477 0.128 1.00 0.00 O ATOM 301 CB ALA A 23 0.869 -12.458 -2.221 1.00 0.00 C ATOM 0 H ALA A 23 2.178 -10.647 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.001 -10.647 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.040 -13.087 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.647 -12.463 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.275 -12.845 -1.286 1.00 0.00 H new ATOM 307 N ALA A 24 -1.919 -10.490 -1.433 1.00 0.00 N ATOM 308 CA ALA A 24 -3.097 -10.417 -0.577 1.00 0.00 C ATOM 309 C ALA A 24 -4.201 -11.336 -1.090 1.00 0.00 C ATOM 310 O ALA A 24 -4.103 -11.880 -2.189 1.00 0.00 O ATOM 311 CB ALA A 24 -3.599 -8.983 -0.489 1.00 0.00 C ATOM 0 H ALA A 24 -2.054 -10.107 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.814 -10.751 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.479 -8.944 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.817 -8.349 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.861 -8.628 -1.485 1.00 0.00 H new ATOM 317 N SER A 25 -5.250 -11.505 -0.290 1.00 0.00 N ATOM 318 CA SER A 25 -6.371 -12.361 -0.670 1.00 0.00 C ATOM 319 C SER A 25 -7.516 -12.242 0.330 1.00 0.00 C ATOM 320 O SER A 25 -7.401 -12.684 1.475 1.00 0.00 O ATOM 321 CB SER A 25 -5.917 -13.818 -0.764 1.00 0.00 C ATOM 322 OG SER A 25 -6.896 -14.618 -1.407 1.00 0.00 O ATOM 0 H SER A 25 -5.348 -11.062 0.624 1.00 0.00 H new ATOM 0 HA SER A 25 -6.729 -12.031 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.978 -13.875 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.724 -14.207 0.236 1.00 0.00 H new ATOM 0 HG SER A 25 -6.581 -15.545 -1.456 1.00 0.00 H new ATOM 328 N GLY A 26 -8.625 -11.650 -0.108 1.00 0.00 N ATOM 329 CA GLY A 26 -9.773 -11.496 0.766 1.00 0.00 C ATOM 330 C GLY A 26 -10.511 -10.188 0.553 1.00 0.00 C ATOM 331 O GLY A 26 -11.326 -9.790 1.386 1.00 0.00 O ATOM 0 H GLY A 26 -8.748 -11.276 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.461 -12.325 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.443 -11.556 1.803 1.00 0.00 H new ATOM 335 N PHE A 27 -10.232 -9.513 -0.561 1.00 0.00 N ATOM 336 CA PHE A 27 -10.887 -8.244 -0.859 1.00 0.00 C ATOM 337 C PHE A 27 -10.637 -7.806 -2.300 1.00 0.00 C ATOM 338 O PHE A 27 -11.278 -6.877 -2.793 1.00 0.00 O ATOM 339 CB PHE A 27 -10.409 -7.160 0.115 1.00 0.00 C ATOM 340 CG PHE A 27 -9.087 -6.534 -0.249 1.00 0.00 C ATOM 341 CD1 PHE A 27 -7.991 -7.315 -0.587 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.946 -5.156 -0.246 1.00 0.00 C ATOM 343 CE1 PHE A 27 -6.782 -6.729 -0.916 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.741 -4.566 -0.574 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.657 -5.354 -0.909 1.00 0.00 C ATOM 0 H PHE A 27 -9.562 -9.822 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.961 -8.388 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.166 -6.377 0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.329 -7.594 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.083 -8.391 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.790 -4.535 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.936 -7.347 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.646 -3.490 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.713 -4.895 -1.165 1.00 0.00 H new ATOM 355 N THR A 28 -9.700 -8.477 -2.967 1.00 0.00 N ATOM 356 CA THR A 28 -9.358 -8.159 -4.350 1.00 0.00 C ATOM 357 C THR A 28 -8.745 -6.766 -4.466 1.00 0.00 C ATOM 358 O THR A 28 -9.140 -5.839 -3.758 1.00 0.00 O ATOM 359 CB THR A 28 -10.586 -8.247 -5.278 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.187 -9.543 -5.174 1.00 0.00 O ATOM 361 CG2 THR A 28 -10.191 -7.979 -6.723 1.00 0.00 C ATOM 0 H THR A 28 -9.163 -9.247 -2.569 1.00 0.00 H new ATOM 0 HA THR A 28 -8.625 -8.902 -4.664 1.00 0.00 H new ATOM 0 HB THR A 28 -11.305 -7.489 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.967 -9.590 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.073 -8.046 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.761 -6.981 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.456 -8.718 -7.042 1.00 0.00 H new ATOM 369 N PHE A 29 -7.781 -6.624 -5.368 1.00 0.00 N ATOM 370 CA PHE A 29 -7.115 -5.345 -5.583 1.00 0.00 C ATOM 371 C PHE A 29 -7.853 -4.522 -6.634 1.00 0.00 C ATOM 372 O PHE A 29 -8.858 -4.966 -7.190 1.00 0.00 O ATOM 373 CB PHE A 29 -5.666 -5.569 -6.019 1.00 0.00 C ATOM 374 CG PHE A 29 -4.675 -5.459 -4.894 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.454 -6.527 -4.038 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.963 -4.289 -4.695 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.540 -6.428 -3.006 1.00 0.00 C ATOM 378 CE2 PHE A 29 -3.049 -4.184 -3.665 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.837 -5.255 -2.820 1.00 0.00 C ATOM 0 H PHE A 29 -7.443 -7.380 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.123 -4.794 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.580 -6.557 -6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.411 -4.841 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.002 -7.447 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.124 -3.448 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.376 -7.267 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.501 -3.265 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.122 -5.175 -2.015 1.00 0.00 H new ATOM 389 N SER A 30 -7.345 -3.320 -6.901 1.00 0.00 N ATOM 390 CA SER A 30 -7.948 -2.426 -7.887 1.00 0.00 C ATOM 391 C SER A 30 -9.400 -2.108 -7.536 1.00 0.00 C ATOM 392 O SER A 30 -10.152 -1.597 -8.367 1.00 0.00 O ATOM 393 CB SER A 30 -7.868 -3.046 -9.285 1.00 0.00 C ATOM 394 OG SER A 30 -9.053 -3.757 -9.600 1.00 0.00 O ATOM 0 H SER A 30 -6.514 -2.942 -6.446 1.00 0.00 H new ATOM 0 HA SER A 30 -7.387 -1.492 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.704 -2.262 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.012 -3.719 -9.339 1.00 0.00 H new ATOM 0 HG SER A 30 -9.277 -4.363 -8.863 1.00 0.00 H new ATOM 400 N SER A 31 -9.788 -2.412 -6.300 1.00 0.00 N ATOM 401 CA SER A 31 -11.150 -2.154 -5.840 1.00 0.00 C ATOM 402 C SER A 31 -11.153 -1.120 -4.722 1.00 0.00 C ATOM 403 O SER A 31 -12.145 -0.421 -4.510 1.00 0.00 O ATOM 404 CB SER A 31 -11.803 -3.449 -5.355 1.00 0.00 C ATOM 405 OG SER A 31 -11.831 -4.424 -6.383 1.00 0.00 O ATOM 0 H SER A 31 -9.180 -2.837 -5.600 1.00 0.00 H new ATOM 0 HA SER A 31 -11.724 -1.761 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.254 -3.837 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.819 -3.243 -5.017 1.00 0.00 H new ATOM 0 HG SER A 31 -10.914 -4.659 -6.636 1.00 0.00 H new ATOM 411 N TYR A 32 -10.035 -1.027 -4.011 1.00 0.00 N ATOM 412 CA TYR A 32 -9.900 -0.079 -2.913 1.00 0.00 C ATOM 413 C TYR A 32 -8.600 0.704 -3.028 1.00 0.00 C ATOM 414 O TYR A 32 -7.832 0.520 -3.972 1.00 0.00 O ATOM 415 CB TYR A 32 -9.938 -0.811 -1.571 1.00 0.00 C ATOM 416 CG TYR A 32 -11.210 -1.597 -1.341 1.00 0.00 C ATOM 417 CD1 TYR A 32 -12.379 -0.959 -0.942 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.242 -2.974 -1.519 1.00 0.00 C ATOM 419 CE1 TYR A 32 -13.543 -1.673 -0.727 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.403 -3.694 -1.307 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.550 -3.039 -0.911 1.00 0.00 C ATOM 422 OH TYR A 32 -14.707 -3.752 -0.698 1.00 0.00 O ATOM 0 H TYR A 32 -9.207 -1.599 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.736 0.619 -2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.087 -1.490 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.821 -0.084 -0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.378 0.111 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.345 -3.491 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -14.443 -1.163 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.412 -4.764 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.543 -4.702 -0.873 1.00 0.00 H new ATOM 432 N HIS A 33 -8.355 1.571 -2.055 1.00 0.00 N ATOM 433 CA HIS A 33 -7.144 2.379 -2.035 1.00 0.00 C ATOM 434 C HIS A 33 -6.102 1.742 -1.123 1.00 0.00 C ATOM 435 O HIS A 33 -6.087 1.990 0.077 1.00 0.00 O ATOM 436 CB HIS A 33 -7.456 3.802 -1.558 1.00 0.00 C ATOM 437 CG HIS A 33 -8.921 4.103 -1.475 1.00 0.00 C ATOM 438 ND1 HIS A 33 -9.710 3.710 -0.414 1.00 0.00 N ATOM 439 CD2 HIS A 33 -9.741 4.762 -2.328 1.00 0.00 C ATOM 440 CE1 HIS A 33 -10.951 4.114 -0.618 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.998 4.755 -1.771 1.00 0.00 N ATOM 0 H HIS A 33 -8.982 1.733 -1.267 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.746 2.429 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.007 3.953 -0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.986 4.514 -2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.460 5.209 -3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.786 3.948 0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.831 5.176 -2.182 1.00 0.00 H new ATOM 450 N MET A 34 -5.237 0.915 -1.699 1.00 0.00 N ATOM 451 CA MET A 34 -4.201 0.239 -0.924 1.00 0.00 C ATOM 452 C MET A 34 -2.991 1.142 -0.738 1.00 0.00 C ATOM 453 O MET A 34 -2.999 2.295 -1.169 1.00 0.00 O ATOM 454 CB MET A 34 -3.789 -1.062 -1.608 1.00 0.00 C ATOM 455 CG MET A 34 -4.742 -2.215 -1.336 1.00 0.00 C ATOM 456 SD MET A 34 -4.402 -3.042 0.230 1.00 0.00 S ATOM 457 CE MET A 34 -2.637 -3.302 0.097 1.00 0.00 C ATOM 0 H MET A 34 -5.231 0.697 -2.695 1.00 0.00 H new ATOM 0 HA MET A 34 -4.609 0.004 0.059 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.730 -0.895 -2.684 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.790 -1.339 -1.273 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.766 -1.841 -1.330 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.671 -2.939 -2.148 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.362 -4.211 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.362 -3.402 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.110 -2.452 0.531 1.00 0.00 H new ATOM 467 N ALA A 35 -1.954 0.625 -0.079 1.00 0.00 N ATOM 468 CA ALA A 35 -0.760 1.421 0.167 1.00 0.00 C ATOM 469 C ALA A 35 0.433 0.580 0.610 1.00 0.00 C ATOM 470 O ALA A 35 0.277 -0.501 1.184 1.00 0.00 O ATOM 471 CB ALA A 35 -1.059 2.472 1.218 1.00 0.00 C ATOM 0 H ALA A 35 -1.919 -0.326 0.287 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.487 1.891 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.165 3.068 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.861 3.121 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.366 1.984 2.143 1.00 0.00 H new ATOM 477 N TRP A 36 1.628 1.117 0.359 1.00 0.00 N ATOM 478 CA TRP A 36 2.874 0.465 0.741 1.00 0.00 C ATOM 479 C TRP A 36 3.480 1.175 1.945 1.00 0.00 C ATOM 480 O TRP A 36 3.824 2.353 1.869 1.00 0.00 O ATOM 481 CB TRP A 36 3.861 0.474 -0.425 1.00 0.00 C ATOM 482 CG TRP A 36 3.919 -0.831 -1.156 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.413 -1.099 -2.394 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.511 -2.048 -0.690 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.653 -2.413 -2.727 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.328 -3.015 -1.696 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.179 -2.415 0.481 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.789 -4.323 -1.566 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.637 -3.713 0.610 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.439 -4.654 -0.409 1.00 0.00 C ATOM 0 H TRP A 36 1.755 2.012 -0.113 1.00 0.00 H new ATOM 0 HA TRP A 36 2.661 -0.571 1.006 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.582 1.263 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.855 0.718 -0.050 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.899 -0.385 -3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.374 -2.865 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.335 -1.697 1.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.639 -5.050 -2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.156 -4.006 1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.807 -5.661 -0.278 1.00 0.00 H new ATOM 501 N VAL A 37 3.582 0.448 3.052 1.00 0.00 N ATOM 502 CA VAL A 37 4.108 0.982 4.309 1.00 0.00 C ATOM 503 C VAL A 37 5.550 0.541 4.550 1.00 0.00 C ATOM 504 O VAL A 37 6.049 -0.368 3.888 1.00 0.00 O ATOM 505 CB VAL A 37 3.233 0.505 5.492 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.893 1.642 6.420 1.00 0.00 C ATOM 507 CG2 VAL A 37 1.956 -0.134 4.980 1.00 0.00 C ATOM 0 H VAL A 37 3.302 -0.531 3.106 1.00 0.00 H new ATOM 0 HA VAL A 37 4.086 2.069 4.237 1.00 0.00 H new ATOM 0 HB VAL A 37 3.809 -0.232 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.278 1.271 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.811 2.071 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.344 2.407 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.351 -0.465 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.395 0.594 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.204 -0.991 4.354 1.00 0.00 H new ATOM 517 N ARG A 38 6.218 1.201 5.498 1.00 0.00 N ATOM 518 CA ARG A 38 7.607 0.884 5.819 1.00 0.00 C ATOM 519 C ARG A 38 7.978 1.373 7.218 1.00 0.00 C ATOM 520 O ARG A 38 7.734 2.524 7.567 1.00 0.00 O ATOM 521 CB ARG A 38 8.541 1.512 4.779 1.00 0.00 C ATOM 522 CG ARG A 38 9.874 1.983 5.344 1.00 0.00 C ATOM 523 CD ARG A 38 10.336 3.269 4.682 1.00 0.00 C ATOM 524 NE ARG A 38 9.513 4.411 5.070 1.00 0.00 N ATOM 525 CZ ARG A 38 9.716 5.648 4.624 1.00 0.00 C ATOM 526 NH1 ARG A 38 10.695 5.895 3.765 1.00 0.00 N ATOM 527 NH2 ARG A 38 8.934 6.637 5.033 1.00 0.00 N ATOM 0 H ARG A 38 5.819 1.957 6.055 1.00 0.00 H new ATOM 0 HA ARG A 38 7.720 -0.200 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.730 0.784 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.035 2.359 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.780 2.139 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.626 1.207 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.374 3.462 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.304 3.151 3.599 1.00 0.00 H new ATOM 0 HE ARG A 38 8.741 4.252 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.295 5.136 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.848 6.844 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.176 6.450 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.090 7.585 4.691 1.00 0.00 H new ATOM 541 N GLN A 39 8.585 0.492 8.009 1.00 0.00 N ATOM 542 CA GLN A 39 8.999 0.839 9.365 1.00 0.00 C ATOM 543 C GLN A 39 10.514 0.758 9.514 1.00 0.00 C ATOM 544 O GLN A 39 11.104 -0.314 9.388 1.00 0.00 O ATOM 545 CB GLN A 39 8.324 -0.092 10.376 1.00 0.00 C ATOM 546 CG GLN A 39 8.955 -0.054 11.761 1.00 0.00 C ATOM 547 CD GLN A 39 8.308 -1.029 12.724 1.00 0.00 C ATOM 548 OE1 GLN A 39 8.809 -2.132 12.939 1.00 0.00 O ATOM 549 NE2 GLN A 39 7.187 -0.624 13.309 1.00 0.00 N ATOM 0 H GLN A 39 8.801 -0.466 7.734 1.00 0.00 H new ATOM 0 HA GLN A 39 8.691 1.866 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.271 0.178 10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.362 -1.113 9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.018 -0.282 11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.876 0.956 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.808 0.300 13.100 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.705 -1.236 13.967 1.00 0.00 H new ATOM 558 N ALA A 40 11.135 1.901 9.793 1.00 0.00 N ATOM 559 CA ALA A 40 12.581 1.962 9.970 1.00 0.00 C ATOM 560 C ALA A 40 12.984 1.435 11.346 1.00 0.00 C ATOM 561 O ALA A 40 12.199 1.496 12.292 1.00 0.00 O ATOM 562 CB ALA A 40 13.076 3.389 9.784 1.00 0.00 C ATOM 0 H ALA A 40 10.659 2.797 9.901 1.00 0.00 H new ATOM 0 HA ALA A 40 13.044 1.328 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.157 3.420 9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.826 3.733 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.600 4.038 10.519 1.00 0.00 H new ATOM 618 N LEU A 45 6.831 2.817 11.675 1.00 0.00 N ATOM 619 CA LEU A 45 6.104 2.553 10.436 1.00 0.00 C ATOM 620 C LEU A 45 5.724 3.851 9.739 1.00 0.00 C ATOM 621 O LEU A 45 5.557 4.894 10.370 1.00 0.00 O ATOM 622 CB LEU A 45 4.854 1.701 10.713 1.00 0.00 C ATOM 623 CG LEU A 45 3.839 1.566 9.565 1.00 0.00 C ATOM 624 CD1 LEU A 45 2.985 0.325 9.768 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.950 2.801 9.480 1.00 0.00 C ATOM 0 HA LEU A 45 6.762 1.994 9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.181 0.701 10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.338 2.125 11.575 1.00 0.00 H new ATOM 0 HG LEU A 45 4.390 1.473 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.269 0.238 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.624 -0.558 9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.448 0.404 10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.240 2.683 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.406 2.923 10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.567 3.682 9.301 1.00 0.00 H new ATOM 637 N GLU A 46 5.579 3.764 8.428 1.00 0.00 N ATOM 638 CA GLU A 46 5.206 4.910 7.616 1.00 0.00 C ATOM 639 C GLU A 46 4.422 4.456 6.398 1.00 0.00 C ATOM 640 O GLU A 46 4.921 3.678 5.586 1.00 0.00 O ATOM 641 CB GLU A 46 6.436 5.692 7.169 1.00 0.00 C ATOM 642 CG GLU A 46 6.090 7.046 6.576 1.00 0.00 C ATOM 643 CD GLU A 46 6.294 8.184 7.557 1.00 0.00 C ATOM 644 OE1 GLU A 46 5.562 8.237 8.568 1.00 0.00 O ATOM 645 OE2 GLU A 46 7.186 9.025 7.313 1.00 0.00 O ATOM 0 H GLU A 46 5.715 2.903 7.899 1.00 0.00 H new ATOM 0 HA GLU A 46 4.584 5.564 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.101 5.833 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.984 5.107 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.705 7.219 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.051 7.039 6.245 1.00 0.00 H new ATOM 652 N TRP A 47 3.195 4.947 6.278 1.00 0.00 N ATOM 653 CA TRP A 47 2.333 4.591 5.157 1.00 0.00 C ATOM 654 C TRP A 47 3.077 4.754 3.832 1.00 0.00 C ATOM 655 O TRP A 47 2.764 4.085 2.858 1.00 0.00 O ATOM 656 CB TRP A 47 1.054 5.439 5.193 1.00 0.00 C ATOM 657 CG TRP A 47 0.582 5.867 3.846 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.173 5.054 2.837 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.476 7.206 3.359 1.00 0.00 C ATOM 660 NE1 TRP A 47 -0.166 5.800 1.742 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.003 7.129 2.037 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.737 8.460 3.910 1.00 0.00 C ATOM 663 CZ2 TRP A 47 -0.213 8.262 1.258 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.522 9.585 3.138 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.051 9.480 1.824 1.00 0.00 C ATOM 0 H TRP A 47 2.773 5.594 6.944 1.00 0.00 H new ATOM 0 HA TRP A 47 2.049 3.542 5.244 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.264 4.868 5.681 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.232 6.324 5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.123 3.977 2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.492 5.428 0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.101 8.550 4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.576 8.183 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.720 10.561 3.555 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.107 10.378 1.245 1.00 0.00 H new ATOM 676 N VAL A 48 4.073 5.631 3.820 1.00 0.00 N ATOM 677 CA VAL A 48 4.888 5.876 2.629 1.00 0.00 C ATOM 678 C VAL A 48 4.057 6.352 1.434 1.00 0.00 C ATOM 679 O VAL A 48 4.103 7.530 1.082 1.00 0.00 O ATOM 680 CB VAL A 48 5.708 4.621 2.230 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.152 4.682 0.771 1.00 0.00 C ATOM 682 CG2 VAL A 48 6.918 4.467 3.138 1.00 0.00 C ATOM 0 H VAL A 48 4.340 6.192 4.629 1.00 0.00 H new ATOM 0 HA VAL A 48 5.576 6.678 2.899 1.00 0.00 H new ATOM 0 HB VAL A 48 5.060 3.753 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.724 3.787 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.275 4.740 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.775 5.563 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.483 3.582 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.553 5.348 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.587 4.360 4.171 1.00 0.00 H new ATOM 692 N SER A 49 3.329 5.442 0.780 1.00 0.00 N ATOM 693 CA SER A 49 2.551 5.833 -0.400 1.00 0.00 C ATOM 694 C SER A 49 1.221 5.088 -0.529 1.00 0.00 C ATOM 695 O SER A 49 1.074 3.967 -0.049 1.00 0.00 O ATOM 696 CB SER A 49 3.387 5.598 -1.654 1.00 0.00 C ATOM 697 OG SER A 49 3.729 4.230 -1.783 1.00 0.00 O ATOM 0 H SER A 49 3.262 4.457 1.037 1.00 0.00 H new ATOM 0 HA SER A 49 2.308 6.889 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.831 5.923 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.294 6.201 -1.610 1.00 0.00 H new ATOM 0 HG SER A 49 4.642 4.152 -2.130 1.00 0.00 H new ATOM 703 N THR A 50 0.259 5.736 -1.200 1.00 0.00 N ATOM 704 CA THR A 50 -1.071 5.163 -1.424 1.00 0.00 C ATOM 705 C THR A 50 -1.498 5.340 -2.884 1.00 0.00 C ATOM 706 O THR A 50 -1.210 6.364 -3.504 1.00 0.00 O ATOM 707 CB THR A 50 -2.134 5.820 -0.505 1.00 0.00 C ATOM 708 OG1 THR A 50 -2.385 4.984 0.628 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.445 6.070 -1.236 1.00 0.00 C ATOM 0 H THR A 50 0.382 6.666 -1.600 1.00 0.00 H new ATOM 0 HA THR A 50 -1.006 4.101 -1.186 1.00 0.00 H new ATOM 0 HB THR A 50 -1.733 6.782 -0.185 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.046 5.420 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.160 6.531 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.269 6.735 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.847 5.123 -1.597 1.00 0.00 H new ATOM 717 N ILE A 51 -2.203 4.344 -3.419 1.00 0.00 N ATOM 718 CA ILE A 51 -2.687 4.402 -4.796 1.00 0.00 C ATOM 719 C ILE A 51 -4.208 4.263 -4.842 1.00 0.00 C ATOM 720 O ILE A 51 -4.805 3.605 -3.990 1.00 0.00 O ATOM 721 CB ILE A 51 -2.051 3.304 -5.672 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.402 3.520 -7.147 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.500 1.924 -5.212 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.268 3.184 -8.090 1.00 0.00 C ATOM 0 H ILE A 51 -2.451 3.489 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.397 5.375 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.968 3.366 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.268 2.909 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.692 4.560 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.040 1.163 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.197 1.769 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.585 1.851 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.585 3.360 -9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.408 3.813 -7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.993 2.136 -7.969 1.00 0.00 H new ATOM 736 N ASN A 52 -4.827 4.886 -5.841 1.00 0.00 N ATOM 737 CA ASN A 52 -6.277 4.829 -5.997 1.00 0.00 C ATOM 738 C ASN A 52 -6.673 3.760 -7.012 1.00 0.00 C ATOM 739 O ASN A 52 -5.894 3.428 -7.908 1.00 0.00 O ATOM 740 CB ASN A 52 -6.823 6.192 -6.433 1.00 0.00 C ATOM 741 CG ASN A 52 -5.724 7.209 -6.668 1.00 0.00 C ATOM 742 OD1 ASN A 52 -5.199 7.329 -7.775 1.00 0.00 O ATOM 743 ND2 ASN A 52 -5.369 7.947 -5.624 1.00 0.00 N ATOM 0 H ASN A 52 -4.347 5.436 -6.554 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.710 4.567 -5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.404 6.072 -7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.504 6.568 -5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.634 8.647 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.831 7.814 -4.725 1.00 0.00 H new ATOM 750 N PRO A 53 -7.892 3.203 -6.889 1.00 0.00 N ATOM 751 CA PRO A 53 -8.382 2.167 -7.804 1.00 0.00 C ATOM 752 C PRO A 53 -8.572 2.688 -9.224 1.00 0.00 C ATOM 753 O PRO A 53 -9.113 3.774 -9.430 1.00 0.00 O ATOM 754 CB PRO A 53 -9.728 1.759 -7.199 1.00 0.00 C ATOM 755 CG PRO A 53 -10.153 2.931 -6.386 1.00 0.00 C ATOM 756 CD PRO A 53 -8.887 3.539 -5.853 1.00 0.00 C ATOM 0 HA PRO A 53 -7.675 1.342 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.458 1.532 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.630 0.865 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.706 3.648 -6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.812 2.625 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.982 4.617 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.616 3.121 -4.883 1.00 0.00 H new ATOM 764 N GLY A 54 -8.124 1.904 -10.201 1.00 0.00 N ATOM 765 CA GLY A 54 -8.252 2.302 -11.591 1.00 0.00 C ATOM 766 C GLY A 54 -7.017 3.015 -12.104 1.00 0.00 C ATOM 767 O GLY A 54 -7.078 3.724 -13.109 1.00 0.00 O ATOM 0 H GLY A 54 -7.675 1.000 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.439 1.420 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.117 2.956 -11.701 1.00 0.00 H new ATOM 771 N ASP A 55 -5.895 2.826 -11.412 1.00 0.00 N ATOM 772 CA ASP A 55 -4.638 3.458 -11.799 1.00 0.00 C ATOM 773 C ASP A 55 -4.825 4.962 -11.976 1.00 0.00 C ATOM 774 O ASP A 55 -4.855 5.466 -13.100 1.00 0.00 O ATOM 775 CB ASP A 55 -4.105 2.839 -13.094 1.00 0.00 C ATOM 776 CG ASP A 55 -3.001 1.831 -12.843 1.00 0.00 C ATOM 777 OD1 ASP A 55 -3.290 0.767 -12.257 1.00 0.00 O ATOM 778 OD2 ASP A 55 -1.846 2.106 -13.232 1.00 0.00 O ATOM 0 H ASP A 55 -5.832 2.239 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.912 3.289 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.924 2.352 -13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.730 3.630 -13.744 1.00 0.00 H new ATOM 783 N GLY A 56 -4.958 5.672 -10.860 1.00 0.00 N ATOM 784 CA GLY A 56 -5.148 7.109 -10.914 1.00 0.00 C ATOM 785 C GLY A 56 -3.946 7.878 -10.408 1.00 0.00 C ATOM 786 O GLY A 56 -2.804 7.465 -10.611 1.00 0.00 O ATOM 0 H GLY A 56 -4.938 5.277 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.357 7.405 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.022 7.378 -10.321 1.00 0.00 H new ATOM 790 N SER A 57 -4.205 9.001 -9.743 1.00 0.00 N ATOM 791 CA SER A 57 -3.138 9.834 -9.200 1.00 0.00 C ATOM 792 C SER A 57 -2.377 9.091 -8.106 1.00 0.00 C ATOM 793 O SER A 57 -2.508 7.876 -7.963 1.00 0.00 O ATOM 794 CB SER A 57 -3.710 11.140 -8.647 1.00 0.00 C ATOM 795 OG SER A 57 -4.643 11.711 -9.548 1.00 0.00 O ATOM 0 H SER A 57 -5.146 9.354 -9.568 1.00 0.00 H new ATOM 0 HA SER A 57 -2.444 10.067 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.194 10.952 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.900 11.846 -8.462 1.00 0.00 H new ATOM 0 HG SER A 57 -4.995 12.544 -9.170 1.00 0.00 H new ATOM 801 N THR A 58 -1.579 9.824 -7.338 1.00 0.00 N ATOM 802 CA THR A 58 -0.801 9.218 -6.267 1.00 0.00 C ATOM 803 C THR A 58 -0.391 10.243 -5.217 1.00 0.00 C ATOM 804 O THR A 58 -0.039 11.377 -5.543 1.00 0.00 O ATOM 805 CB THR A 58 0.465 8.533 -6.814 1.00 0.00 C ATOM 806 OG1 THR A 58 0.585 8.777 -8.222 1.00 0.00 O ATOM 807 CG2 THR A 58 0.428 7.036 -6.558 1.00 0.00 C ATOM 0 H THR A 58 -1.455 10.832 -7.437 1.00 0.00 H new ATOM 0 HA THR A 58 -1.446 8.472 -5.802 1.00 0.00 H new ATOM 0 HB THR A 58 1.328 8.952 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.393 8.339 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.334 6.577 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.367 6.852 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.443 6.604 -7.051 1.00 0.00 H new ATOM 815 N TYR A 59 -0.433 9.826 -3.955 1.00 0.00 N ATOM 816 CA TYR A 59 -0.059 10.690 -2.842 1.00 0.00 C ATOM 817 C TYR A 59 0.915 9.966 -1.922 1.00 0.00 C ATOM 818 O TYR A 59 0.696 8.812 -1.556 1.00 0.00 O ATOM 819 CB TYR A 59 -1.299 11.123 -2.054 1.00 0.00 C ATOM 820 CG TYR A 59 -2.587 10.998 -2.836 1.00 0.00 C ATOM 821 CD1 TYR A 59 -2.900 11.903 -3.842 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.485 9.974 -2.571 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.073 11.789 -4.563 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.661 9.854 -3.285 1.00 0.00 C ATOM 825 CZ TYR A 59 -4.950 10.763 -4.280 1.00 0.00 C ATOM 826 OH TYR A 59 -6.120 10.648 -4.996 1.00 0.00 O ATOM 0 H TYR A 59 -0.724 8.889 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 59 0.424 11.580 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.373 10.520 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.175 12.159 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.216 12.708 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.261 9.259 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.302 12.499 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.350 9.052 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.986 11.000 -5.901 1.00 0.00 H new ATOM 836 N TYR A 60 1.999 10.643 -1.564 1.00 0.00 N ATOM 837 CA TYR A 60 3.013 10.054 -0.700 1.00 0.00 C ATOM 838 C TYR A 60 3.119 10.808 0.620 1.00 0.00 C ATOM 839 O TYR A 60 2.418 11.796 0.844 1.00 0.00 O ATOM 840 CB TYR A 60 4.372 10.057 -1.404 1.00 0.00 C ATOM 841 CG TYR A 60 4.476 9.078 -2.553 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.582 9.121 -3.617 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.475 8.114 -2.576 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.681 8.231 -4.670 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.580 7.221 -3.625 1.00 0.00 C ATOM 846 CZ TYR A 60 4.681 7.283 -4.668 1.00 0.00 C ATOM 847 OH TYR A 60 4.785 6.395 -5.714 1.00 0.00 O ATOM 0 H TYR A 60 2.198 11.599 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 60 2.715 9.027 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.573 11.061 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.148 9.827 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.797 9.862 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.181 8.061 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.979 8.278 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.363 6.477 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 60 5.367 6.772 -6.407 1.00 0.00 H new ATOM 857 N ALA A 61 4.013 10.338 1.484 1.00 0.00 N ATOM 858 CA ALA A 61 4.232 10.963 2.782 1.00 0.00 C ATOM 859 C ALA A 61 5.109 12.204 2.642 1.00 0.00 C ATOM 860 O ALA A 61 5.614 12.732 3.634 1.00 0.00 O ATOM 861 CB ALA A 61 4.866 9.969 3.744 1.00 0.00 C ATOM 0 H ALA A 61 4.600 9.523 1.307 1.00 0.00 H new ATOM 0 HA ALA A 61 3.267 11.272 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.025 10.448 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.205 9.111 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.823 9.635 3.343 1.00 0.00 H new ATOM 867 N ASP A 62 5.284 12.659 1.398 1.00 0.00 N ATOM 868 CA ASP A 62 6.097 13.839 1.098 1.00 0.00 C ATOM 869 C ASP A 62 7.585 13.557 1.291 1.00 0.00 C ATOM 870 O ASP A 62 8.432 14.341 0.863 1.00 0.00 O ATOM 871 CB ASP A 62 5.674 15.020 1.971 1.00 0.00 C ATOM 872 CG ASP A 62 5.505 16.298 1.176 1.00 0.00 C ATOM 873 OD1 ASP A 62 6.395 16.611 0.357 1.00 0.00 O ATOM 874 OD2 ASP A 62 4.483 16.989 1.374 1.00 0.00 O ATOM 0 H ASP A 62 4.868 12.222 0.575 1.00 0.00 H new ATOM 0 HA ASP A 62 5.932 14.092 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.736 14.780 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.420 15.177 2.751 1.00 0.00 H new ATOM 879 N SER A 63 7.896 12.436 1.930 1.00 0.00 N ATOM 880 CA SER A 63 9.281 12.055 2.171 1.00 0.00 C ATOM 881 C SER A 63 9.656 10.847 1.321 1.00 0.00 C ATOM 882 O SER A 63 10.778 10.346 1.394 1.00 0.00 O ATOM 883 CB SER A 63 9.497 11.743 3.652 1.00 0.00 C ATOM 884 OG SER A 63 8.311 11.248 4.250 1.00 0.00 O ATOM 0 H SER A 63 7.208 11.775 2.290 1.00 0.00 H new ATOM 0 HA SER A 63 9.922 12.891 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.295 11.008 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.821 12.644 4.173 1.00 0.00 H new ATOM 0 HG SER A 63 8.478 11.055 5.196 1.00 0.00 H new ATOM 890 N VAL A 64 8.705 10.387 0.515 1.00 0.00 N ATOM 891 CA VAL A 64 8.929 9.240 -0.354 1.00 0.00 C ATOM 892 C VAL A 64 8.380 9.497 -1.753 1.00 0.00 C ATOM 893 O VAL A 64 8.499 8.647 -2.636 1.00 0.00 O ATOM 894 CB VAL A 64 8.277 7.964 0.209 1.00 0.00 C ATOM 895 CG1 VAL A 64 9.266 7.196 1.071 1.00 0.00 C ATOM 896 CG2 VAL A 64 7.022 8.303 0.999 1.00 0.00 C ATOM 0 H VAL A 64 7.771 10.792 0.446 1.00 0.00 H new ATOM 0 HA VAL A 64 10.008 9.093 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 64 7.988 7.329 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.788 6.297 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.131 6.916 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.589 7.824 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.578 7.386 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.281 8.961 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.307 8.805 0.348 1.00 0.00 H new ATOM 906 N LYS A 65 7.777 10.672 -1.947 1.00 0.00 N ATOM 907 CA LYS A 65 7.211 11.038 -3.243 1.00 0.00 C ATOM 908 C LYS A 65 8.196 10.736 -4.369 1.00 0.00 C ATOM 909 O LYS A 65 7.894 9.967 -5.283 1.00 0.00 O ATOM 910 CB LYS A 65 6.832 12.522 -3.259 1.00 0.00 C ATOM 911 CG LYS A 65 6.073 12.948 -4.508 1.00 0.00 C ATOM 912 CD LYS A 65 4.699 12.298 -4.583 1.00 0.00 C ATOM 913 CE LYS A 65 3.636 13.285 -5.042 1.00 0.00 C ATOM 914 NZ LYS A 65 4.192 14.320 -5.960 1.00 0.00 N ATOM 0 H LYS A 65 7.669 11.383 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 65 6.312 10.442 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.223 12.741 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.739 13.120 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.963 14.032 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.650 12.681 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.733 11.453 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.430 11.902 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.835 12.746 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.194 13.772 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.421 14.738 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.659 15.064 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.884 13.881 -6.600 1.00 0.00 H new ATOM 928 N GLY A 66 9.382 11.330 -4.283 1.00 0.00 N ATOM 929 CA GLY A 66 10.403 11.097 -5.288 1.00 0.00 C ATOM 930 C GLY A 66 11.415 10.067 -4.829 1.00 0.00 C ATOM 931 O GLY A 66 12.609 10.189 -5.101 1.00 0.00 O ATOM 0 H GLY A 66 9.654 11.968 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.934 10.760 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.913 12.034 -5.513 1.00 0.00 H new ATOM 935 N ARG A 67 10.929 9.054 -4.118 1.00 0.00 N ATOM 936 CA ARG A 67 11.785 7.995 -3.596 1.00 0.00 C ATOM 937 C ARG A 67 11.341 6.626 -4.098 1.00 0.00 C ATOM 938 O ARG A 67 12.071 5.954 -4.829 1.00 0.00 O ATOM 939 CB ARG A 67 11.759 8.014 -2.067 1.00 0.00 C ATOM 940 CG ARG A 67 12.747 7.056 -1.425 1.00 0.00 C ATOM 941 CD ARG A 67 14.087 7.727 -1.176 1.00 0.00 C ATOM 942 NE ARG A 67 13.986 8.801 -0.190 1.00 0.00 N ATOM 943 CZ ARG A 67 13.963 10.091 -0.507 1.00 0.00 C ATOM 944 NH1 ARG A 67 14.026 10.467 -1.777 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.871 11.007 0.447 1.00 0.00 N ATOM 0 H ARG A 67 9.941 8.945 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 67 12.800 8.176 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.972 9.026 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.754 7.766 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.341 6.690 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.887 6.189 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.806 6.984 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.470 8.130 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 67 13.930 8.546 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.092 9.765 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.008 11.458 -2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.818 10.721 1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.853 11.997 0.203 1.00 0.00 H new ATOM 959 N PHE A 68 10.145 6.213 -3.692 1.00 0.00 N ATOM 960 CA PHE A 68 9.609 4.916 -4.090 1.00 0.00 C ATOM 961 C PHE A 68 8.448 5.066 -5.064 1.00 0.00 C ATOM 962 O PHE A 68 7.879 6.147 -5.214 1.00 0.00 O ATOM 963 CB PHE A 68 9.136 4.136 -2.860 1.00 0.00 C ATOM 964 CG PHE A 68 10.181 3.977 -1.790 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.524 3.865 -2.116 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.814 3.933 -0.455 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.479 3.713 -1.131 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.766 3.781 0.534 1.00 0.00 C ATOM 969 CZ PHE A 68 12.100 3.671 0.195 1.00 0.00 C ATOM 0 H PHE A 68 9.529 6.757 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 68 10.411 4.371 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.270 4.642 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.803 3.148 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.826 3.897 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.772 4.018 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.522 3.627 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.467 3.748 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.846 3.552 0.967 1.00 0.00 H new ATOM 979 N THR A 69 8.095 3.961 -5.711 1.00 0.00 N ATOM 980 CA THR A 69 6.990 3.944 -6.660 1.00 0.00 C ATOM 981 C THR A 69 5.973 2.884 -6.264 1.00 0.00 C ATOM 982 O THR A 69 6.286 1.697 -6.224 1.00 0.00 O ATOM 983 CB THR A 69 7.475 3.673 -8.098 1.00 0.00 C ATOM 984 OG1 THR A 69 8.287 4.761 -8.554 1.00 0.00 O ATOM 985 CG2 THR A 69 6.297 3.484 -9.043 1.00 0.00 C ATOM 0 H THR A 69 8.561 3.061 -5.594 1.00 0.00 H new ATOM 0 HA THR A 69 6.526 4.930 -6.636 1.00 0.00 H new ATOM 0 HB THR A 69 8.064 2.756 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.593 4.581 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.666 3.294 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.696 2.637 -8.711 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.684 4.385 -9.045 1.00 0.00 H new ATOM 993 N ILE A 70 4.761 3.324 -5.960 1.00 0.00 N ATOM 994 CA ILE A 70 3.701 2.418 -5.546 1.00 0.00 C ATOM 995 C ILE A 70 2.720 2.157 -6.689 1.00 0.00 C ATOM 996 O ILE A 70 1.973 3.042 -7.106 1.00 0.00 O ATOM 997 CB ILE A 70 2.945 2.988 -4.326 1.00 0.00 C ATOM 998 CG1 ILE A 70 1.851 2.010 -3.859 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.377 4.367 -4.649 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.512 2.656 -3.558 1.00 0.00 C ATOM 0 H ILE A 70 4.487 4.306 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 70 4.165 1.472 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 70 3.646 3.107 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.708 1.251 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.200 1.495 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.847 4.755 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.191 5.044 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.687 4.289 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.196 1.892 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.634 3.394 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.135 3.146 -4.455 1.00 0.00 H new ATOM 1012 N SER A 71 2.741 0.929 -7.196 1.00 0.00 N ATOM 1013 CA SER A 71 1.867 0.534 -8.294 1.00 0.00 C ATOM 1014 C SER A 71 1.354 -0.887 -8.085 1.00 0.00 C ATOM 1015 O SER A 71 1.876 -1.628 -7.254 1.00 0.00 O ATOM 1016 CB SER A 71 2.611 0.635 -9.628 1.00 0.00 C ATOM 1017 OG SER A 71 2.341 -0.485 -10.453 1.00 0.00 O ATOM 0 H SER A 71 3.357 0.187 -6.862 1.00 0.00 H new ATOM 0 HA SER A 71 1.014 1.212 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.316 1.549 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.683 0.705 -9.445 1.00 0.00 H new ATOM 0 HG SER A 71 1.480 -0.359 -10.904 1.00 0.00 H new ATOM 1023 N ARG A 72 0.327 -1.258 -8.841 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.257 -2.590 -8.732 1.00 0.00 C ATOM 1025 C ARG A 72 -0.872 -3.030 -10.054 1.00 0.00 C ATOM 1026 O ARG A 72 -0.933 -2.258 -11.012 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.321 -2.611 -7.633 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.166 -1.348 -7.584 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.218 -1.424 -6.491 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.475 -0.803 -6.899 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.470 -0.533 -6.060 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.361 -0.836 -4.773 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -6.578 0.038 -6.510 1.00 0.00 N ATOM 0 H ARG A 72 -0.118 -0.657 -9.535 1.00 0.00 H new ATOM 0 HA ARG A 72 0.541 -3.287 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.974 -3.470 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.833 -2.750 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.523 -0.485 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.652 -1.196 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.396 -2.467 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.845 -0.931 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.596 -0.563 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.511 -1.278 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.127 -0.627 -4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.667 0.270 -7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.342 0.246 -5.867 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.330 -4.277 -10.096 1.00 0.00 N ATOM 1048 CA ASP A 73 -1.947 -4.827 -11.295 1.00 0.00 C ATOM 1049 C ASP A 73 -3.435 -4.494 -11.333 1.00 0.00 C ATOM 1050 O ASP A 73 -3.967 -3.881 -10.407 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.747 -6.343 -11.347 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.404 -6.835 -12.739 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -0.609 -6.161 -13.429 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -1.927 -7.895 -13.140 1.00 0.00 O ATOM 0 H ASP A 73 -1.285 -4.926 -9.311 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.468 -4.378 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.950 -6.625 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.655 -6.838 -11.003 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.103 -4.898 -12.409 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.530 -4.636 -12.561 1.00 0.00 C ATOM 1061 C ASN A 74 -6.318 -5.940 -12.666 1.00 0.00 C ATOM 1062 O ASN A 74 -7.241 -6.055 -13.472 1.00 0.00 O ATOM 1063 CB ASN A 74 -5.783 -3.771 -13.798 1.00 0.00 C ATOM 1064 CG ASN A 74 -4.708 -3.938 -14.855 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -3.817 -3.099 -14.990 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -4.787 -5.026 -15.613 1.00 0.00 N ATOM 0 H ASN A 74 -3.681 -5.406 -13.186 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.870 -4.099 -11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.752 -4.030 -14.226 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.835 -2.724 -13.500 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.092 -5.192 -16.341 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.542 -5.696 -15.467 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.948 -6.919 -11.844 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.623 -8.212 -11.846 1.00 0.00 C ATOM 1075 C ALA A 75 -6.205 -9.059 -10.647 1.00 0.00 C ATOM 1076 O ALA A 75 -7.033 -9.414 -9.808 1.00 0.00 O ATOM 1077 CB ALA A 75 -6.333 -8.955 -13.141 1.00 0.00 C ATOM 0 H ALA A 75 -5.186 -6.841 -11.170 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.695 -8.031 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.843 -9.918 -13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.689 -8.366 -13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.259 -9.114 -13.237 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.919 -9.389 -10.579 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.394 -10.204 -9.488 1.00 0.00 C ATOM 1085 C LYS A 76 -4.386 -9.436 -8.170 1.00 0.00 C ATOM 1086 O LYS A 76 -4.497 -8.211 -8.149 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.980 -10.685 -9.819 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.928 -12.125 -10.303 1.00 0.00 C ATOM 1089 CD LYS A 76 -1.520 -12.694 -10.212 1.00 0.00 C ATOM 1090 CE LYS A 76 -1.404 -14.015 -10.955 1.00 0.00 C ATOM 1091 NZ LYS A 76 -2.225 -14.029 -12.198 1.00 0.00 N ATOM 0 H LYS A 76 -4.221 -9.105 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.051 -11.066 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.554 -10.037 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.354 -10.585 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.607 -12.735 -9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.276 -12.176 -11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.810 -11.979 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.252 -12.839 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.360 -14.198 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.721 -14.828 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.919 -14.815 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.228 -14.152 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.102 -13.130 -12.705 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.249 -10.175 -7.072 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.221 -9.584 -5.738 1.00 0.00 C ATOM 1107 C ASN A 77 -2.784 -9.355 -5.279 1.00 0.00 C ATOM 1108 O ASN A 77 -2.173 -10.237 -4.673 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.933 -10.505 -4.744 1.00 0.00 C ATOM 1110 CG ASN A 77 -6.296 -9.986 -4.336 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -6.471 -8.793 -4.092 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -7.270 -10.885 -4.256 1.00 0.00 N ATOM 0 H ASN A 77 -4.155 -11.191 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.734 -8.623 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.044 -11.494 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.313 -10.622 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.209 -10.596 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.079 -11.864 -4.468 1.00 0.00 H new ATOM 1119 N THR A 78 -2.243 -8.173 -5.567 1.00 0.00 N ATOM 1120 CA THR A 78 -0.873 -7.858 -5.174 1.00 0.00 C ATOM 1121 C THR A 78 -0.589 -6.364 -5.209 1.00 0.00 C ATOM 1122 O THR A 78 -1.314 -5.588 -5.830 1.00 0.00 O ATOM 1123 CB THR A 78 0.152 -8.561 -6.080 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.472 -8.982 -7.299 1.00 0.00 O ATOM 1125 CG2 THR A 78 0.764 -9.764 -5.377 1.00 0.00 C ATOM 0 H THR A 78 -2.726 -7.426 -6.065 1.00 0.00 H new ATOM 0 HA THR A 78 -0.774 -8.217 -4.150 1.00 0.00 H new ATOM 0 HB THR A 78 0.946 -7.849 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.190 -9.427 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.485 -10.244 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.267 -9.437 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.022 -10.474 -5.121 1.00 0.00 H new ATOM 1133 N LEU A 79 0.495 -5.983 -4.544 1.00 0.00 N ATOM 1134 CA LEU A 79 0.933 -4.595 -4.487 1.00 0.00 C ATOM 1135 C LEU A 79 2.450 -4.534 -4.634 1.00 0.00 C ATOM 1136 O LEU A 79 3.176 -5.217 -3.913 1.00 0.00 O ATOM 1137 CB LEU A 79 0.498 -3.948 -3.169 1.00 0.00 C ATOM 1138 CG LEU A 79 0.432 -2.418 -3.185 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.515 -1.929 -4.270 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.002 -1.890 -1.826 1.00 0.00 C ATOM 0 H LEU A 79 1.095 -6.628 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 79 0.471 -4.042 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.484 -4.335 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.189 -4.258 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 79 1.429 -2.036 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.546 -0.839 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.164 -2.275 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.515 -2.321 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.040 -0.801 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.983 -2.284 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.720 -2.205 -1.069 1.00 0.00 H new ATOM 1152 N TYR A 80 2.925 -3.736 -5.584 1.00 0.00 N ATOM 1153 CA TYR A 80 4.359 -3.622 -5.832 1.00 0.00 C ATOM 1154 C TYR A 80 4.878 -2.215 -5.548 1.00 0.00 C ATOM 1155 O TYR A 80 4.151 -1.231 -5.680 1.00 0.00 O ATOM 1156 CB TYR A 80 4.676 -3.989 -7.286 1.00 0.00 C ATOM 1157 CG TYR A 80 4.170 -5.351 -7.708 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.818 -5.573 -7.941 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.046 -6.415 -7.880 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.355 -6.814 -8.333 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.591 -7.660 -8.270 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.246 -7.854 -8.496 1.00 0.00 C ATOM 1163 OH TYR A 80 2.788 -9.092 -8.887 1.00 0.00 O ATOM 0 H TYR A 80 2.342 -3.161 -6.192 1.00 0.00 H new ATOM 0 HA TYR A 80 4.858 -4.314 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.243 -3.234 -7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.756 -3.955 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.117 -4.761 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.101 -6.267 -7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.301 -6.969 -8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.286 -8.477 -8.397 1.00 0.00 H new ATOM 0 HH TYR A 80 3.543 -9.713 -8.957 1.00 0.00 H new ATOM 1173 N LEU A 81 6.155 -2.138 -5.186 1.00 0.00 N ATOM 1174 CA LEU A 81 6.810 -0.864 -4.912 1.00 0.00 C ATOM 1175 C LEU A 81 8.274 -0.933 -5.325 1.00 0.00 C ATOM 1176 O LEU A 81 8.968 -1.904 -5.022 1.00 0.00 O ATOM 1177 CB LEU A 81 6.706 -0.481 -3.433 1.00 0.00 C ATOM 1178 CG LEU A 81 7.282 0.899 -3.091 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.193 1.958 -3.115 1.00 0.00 C ATOM 1180 CD2 LEU A 81 7.967 0.881 -1.736 1.00 0.00 C ATOM 0 H LEU A 81 6.761 -2.951 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 81 6.300 -0.096 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.657 -0.506 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.223 -1.234 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 81 8.025 1.148 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.624 2.929 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.748 2.000 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.425 1.707 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.367 1.871 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.246 0.603 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.781 0.156 -1.749 1.00 0.00 H new ATOM 1192 N GLN A 82 8.738 0.096 -6.023 1.00 0.00 N ATOM 1193 CA GLN A 82 10.119 0.141 -6.482 1.00 0.00 C ATOM 1194 C GLN A 82 10.942 1.103 -5.634 1.00 0.00 C ATOM 1195 O GLN A 82 10.654 2.299 -5.576 1.00 0.00 O ATOM 1196 CB GLN A 82 10.178 0.560 -7.952 1.00 0.00 C ATOM 1197 CG GLN A 82 10.437 -0.596 -8.906 1.00 0.00 C ATOM 1198 CD GLN A 82 11.842 -0.577 -9.476 1.00 0.00 C ATOM 1199 OE1 GLN A 82 12.595 -1.642 -9.230 1.00 0.00 O flip ATOM 1200 NE2 GLN A 82 12.247 0.384 -10.131 1.00 0.00 N flip ATOM 0 H GLN A 82 8.179 0.909 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 82 10.542 -0.858 -6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.237 1.039 -8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.963 1.306 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.274 -1.538 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.717 -0.557 -9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.635 1.183 -10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.195 0.381 -10.508 1.00 0.00 H new ATOM 1209 N MET A 83 11.968 0.568 -4.979 1.00 0.00 N ATOM 1210 CA MET A 83 12.839 1.372 -4.133 1.00 0.00 C ATOM 1211 C MET A 83 13.936 2.028 -4.962 1.00 0.00 C ATOM 1212 O MET A 83 14.928 1.389 -5.315 1.00 0.00 O ATOM 1213 CB MET A 83 13.463 0.506 -3.036 1.00 0.00 C ATOM 1214 CG MET A 83 12.530 0.244 -1.864 1.00 0.00 C ATOM 1215 SD MET A 83 11.315 -1.039 -2.219 1.00 0.00 S ATOM 1216 CE MET A 83 11.206 -1.852 -0.627 1.00 0.00 C ATOM 0 H MET A 83 12.216 -0.421 -5.019 1.00 0.00 H new ATOM 0 HA MET A 83 12.237 2.153 -3.669 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.768 -0.447 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.366 0.994 -2.669 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.118 -0.049 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.013 1.167 -1.603 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.592 -2.868 -0.710 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.794 -1.299 0.105 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.165 -1.885 -0.306 1.00 0.00 H new ATOM 1226 N ASN A 84 13.749 3.307 -5.274 1.00 0.00 N ATOM 1227 CA ASN A 84 14.724 4.049 -6.065 1.00 0.00 C ATOM 1228 C ASN A 84 15.342 5.177 -5.248 1.00 0.00 C ATOM 1229 O ASN A 84 14.809 5.566 -4.207 1.00 0.00 O ATOM 1230 CB ASN A 84 14.069 4.617 -7.325 1.00 0.00 C ATOM 1231 CG ASN A 84 12.942 3.739 -7.835 1.00 0.00 C ATOM 1232 OD1 ASN A 84 13.283 2.759 -8.663 1.00 0.00 O flip ATOM 1233 ND2 ASN A 84 11.779 3.939 -7.487 1.00 0.00 N flip ATOM 0 H ASN A 84 12.933 3.850 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 84 15.515 3.359 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.682 5.614 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.822 4.727 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.562 4.704 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.032 3.339 -7.837 1.00 0.00 H new ATOM 1240 N SER A 85 16.468 5.699 -5.727 1.00 0.00 N ATOM 1241 CA SER A 85 17.163 6.783 -5.042 1.00 0.00 C ATOM 1242 C SER A 85 17.484 6.396 -3.602 1.00 0.00 C ATOM 1243 O SER A 85 17.397 7.221 -2.691 1.00 0.00 O ATOM 1244 CB SER A 85 16.312 8.055 -5.065 1.00 0.00 C ATOM 1245 OG SER A 85 16.869 9.027 -5.933 1.00 0.00 O ATOM 0 H SER A 85 16.918 5.388 -6.588 1.00 0.00 H new ATOM 0 HA SER A 85 18.100 6.972 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.299 7.813 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.236 8.464 -4.057 1.00 0.00 H new ATOM 0 HG SER A 85 16.306 9.829 -5.931 1.00 0.00 H new ATOM 1251 N LEU A 86 17.849 5.133 -3.402 1.00 0.00 N ATOM 1252 CA LEU A 86 18.178 4.632 -2.072 1.00 0.00 C ATOM 1253 C LEU A 86 19.374 5.375 -1.486 1.00 0.00 C ATOM 1254 O LEU A 86 20.309 5.734 -2.202 1.00 0.00 O ATOM 1255 CB LEU A 86 18.466 3.130 -2.122 1.00 0.00 C ATOM 1256 CG LEU A 86 17.413 2.294 -2.851 1.00 0.00 C ATOM 1257 CD1 LEU A 86 17.990 1.713 -4.131 1.00 0.00 C ATOM 1258 CD2 LEU A 86 16.892 1.187 -1.948 1.00 0.00 C ATOM 0 H LEU A 86 17.924 4.438 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 86 17.317 4.806 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.430 2.976 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.560 2.759 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 86 16.578 2.943 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 86 17.228 1.121 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.314 2.523 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.842 1.078 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.144 0.603 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.717 0.538 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.441 1.626 -1.058 1.00 0.00 H new ATOM 1270 N LYS A 87 19.332 5.601 -0.177 1.00 0.00 N ATOM 1271 CA LYS A 87 20.404 6.301 0.519 1.00 0.00 C ATOM 1272 C LYS A 87 20.761 5.584 1.818 1.00 0.00 C ATOM 1273 O LYS A 87 21.908 5.184 2.023 1.00 0.00 O ATOM 1274 CB LYS A 87 19.991 7.746 0.816 1.00 0.00 C ATOM 1275 CG LYS A 87 18.484 7.953 0.857 1.00 0.00 C ATOM 1276 CD LYS A 87 18.068 8.837 2.023 1.00 0.00 C ATOM 1277 CE LYS A 87 16.556 8.971 2.109 1.00 0.00 C ATOM 1278 NZ LYS A 87 16.145 10.033 3.069 1.00 0.00 N ATOM 0 H LYS A 87 18.563 5.308 0.425 1.00 0.00 H new ATOM 0 HA LYS A 87 21.282 6.309 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.417 8.047 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.419 8.401 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.153 8.405 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.986 6.987 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.451 8.418 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.516 9.824 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.155 9.200 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.124 8.018 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.371 9.680 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.955 10.292 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.822 10.870 2.543 1.00 0.00 H new ATOM 1292 N SER A 88 19.767 5.425 2.686 1.00 0.00 N ATOM 1293 CA SER A 88 19.963 4.757 3.969 1.00 0.00 C ATOM 1294 C SER A 88 18.629 4.574 4.683 1.00 0.00 C ATOM 1295 O SER A 88 18.495 3.725 5.567 1.00 0.00 O ATOM 1296 CB SER A 88 20.918 5.562 4.849 1.00 0.00 C ATOM 1297 OG SER A 88 20.859 5.131 6.198 1.00 0.00 O ATOM 0 H SER A 88 18.814 5.751 2.524 1.00 0.00 H new ATOM 0 HA SER A 88 20.399 3.776 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.937 5.457 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 88 20.665 6.621 4.791 1.00 0.00 H new ATOM 0 HG SER A 88 21.481 5.662 6.738 1.00 0.00 H new ATOM 1303 N GLU A 89 17.648 5.378 4.292 1.00 0.00 N ATOM 1304 CA GLU A 89 16.319 5.318 4.886 1.00 0.00 C ATOM 1305 C GLU A 89 15.568 4.076 4.414 1.00 0.00 C ATOM 1306 O GLU A 89 14.862 3.433 5.191 1.00 0.00 O ATOM 1307 CB GLU A 89 15.528 6.578 4.528 1.00 0.00 C ATOM 1308 CG GLU A 89 14.035 6.458 4.785 1.00 0.00 C ATOM 1309 CD GLU A 89 13.410 7.768 5.221 1.00 0.00 C ATOM 1310 OE1 GLU A 89 13.888 8.833 4.775 1.00 0.00 O ATOM 1311 OE2 GLU A 89 12.443 7.731 6.011 1.00 0.00 O ATOM 0 H GLU A 89 17.749 6.083 3.562 1.00 0.00 H new ATOM 0 HA GLU A 89 16.429 5.260 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.920 7.417 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.689 6.810 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.541 6.108 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.862 5.704 5.553 1.00 0.00 H new ATOM 1318 N ASP A 90 15.730 3.747 3.134 1.00 0.00 N ATOM 1319 CA ASP A 90 15.072 2.580 2.550 1.00 0.00 C ATOM 1320 C ASP A 90 15.329 1.339 3.399 1.00 0.00 C ATOM 1321 O ASP A 90 14.500 0.432 3.456 1.00 0.00 O ATOM 1322 CB ASP A 90 15.566 2.341 1.121 1.00 0.00 C ATOM 1323 CG ASP A 90 16.337 3.521 0.566 1.00 0.00 C ATOM 1324 OD1 ASP A 90 17.557 3.605 0.822 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.722 4.364 -0.120 1.00 0.00 O ATOM 0 H ASP A 90 16.312 4.272 2.481 1.00 0.00 H new ATOM 0 HA ASP A 90 14.000 2.775 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.202 1.456 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.713 2.133 0.475 1.00 0.00 H new ATOM 1330 N THR A 91 16.483 1.317 4.062 1.00 0.00 N ATOM 1331 CA THR A 91 16.856 0.197 4.918 1.00 0.00 C ATOM 1332 C THR A 91 15.845 0.027 6.045 1.00 0.00 C ATOM 1333 O THR A 91 15.982 0.630 7.111 1.00 0.00 O ATOM 1334 CB THR A 91 18.257 0.400 5.524 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.209 0.657 4.486 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.687 -0.825 6.319 1.00 0.00 C ATOM 0 H THR A 91 17.176 2.064 4.022 1.00 0.00 H new ATOM 0 HA THR A 91 16.867 -0.699 4.297 1.00 0.00 H new ATOM 0 HB THR A 91 18.215 1.256 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.097 0.786 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.680 -0.657 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.978 -1.001 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.712 -1.695 5.662 1.00 0.00 H new ATOM 1344 N ALA A 92 14.825 -0.786 5.798 1.00 0.00 N ATOM 1345 CA ALA A 92 13.782 -1.023 6.787 1.00 0.00 C ATOM 1346 C ALA A 92 12.834 -2.124 6.334 1.00 0.00 C ATOM 1347 O ALA A 92 13.075 -2.792 5.328 1.00 0.00 O ATOM 1348 CB ALA A 92 13.001 0.260 7.032 1.00 0.00 C ATOM 0 H ALA A 92 14.698 -1.292 4.921 1.00 0.00 H new ATOM 0 HA ALA A 92 14.259 -1.344 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.223 0.076 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.676 1.033 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.544 0.591 6.100 1.00 0.00 H new ATOM 1354 N VAL A 93 11.745 -2.291 7.074 1.00 0.00 N ATOM 1355 CA VAL A 93 10.741 -3.290 6.745 1.00 0.00 C ATOM 1356 C VAL A 93 9.600 -2.636 5.982 1.00 0.00 C ATOM 1357 O VAL A 93 9.321 -1.456 6.177 1.00 0.00 O ATOM 1358 CB VAL A 93 10.186 -3.975 8.008 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.397 -5.218 7.633 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.316 -4.322 8.965 1.00 0.00 C ATOM 0 H VAL A 93 11.536 -1.744 7.909 1.00 0.00 H new ATOM 0 HA VAL A 93 11.217 -4.052 6.128 1.00 0.00 H new ATOM 0 HB VAL A 93 9.513 -3.282 8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.012 -5.691 8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.565 -4.940 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.047 -5.917 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.906 -4.805 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.015 -4.999 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.838 -3.411 9.257 1.00 0.00 H new ATOM 1370 N TYR A 94 8.949 -3.386 5.100 1.00 0.00 N ATOM 1371 CA TYR A 94 7.855 -2.828 4.315 1.00 0.00 C ATOM 1372 C TYR A 94 6.569 -3.628 4.479 1.00 0.00 C ATOM 1373 O TYR A 94 6.538 -4.845 4.290 1.00 0.00 O ATOM 1374 CB TYR A 94 8.257 -2.728 2.843 1.00 0.00 C ATOM 1375 CG TYR A 94 9.279 -1.642 2.591 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.584 -1.776 3.046 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.935 -0.477 1.916 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.519 -0.783 2.837 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.867 0.522 1.701 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.156 0.363 2.165 1.00 0.00 C ATOM 1381 OH TYR A 94 12.088 1.353 1.957 1.00 0.00 O ATOM 0 H TYR A 94 9.155 -4.367 4.912 1.00 0.00 H new ATOM 0 HA TYR A 94 7.654 -1.825 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.662 -3.686 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.370 -2.534 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.872 -2.674 3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.925 -0.350 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.530 -0.904 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.587 1.421 1.173 1.00 0.00 H new ATOM 0 HH TYR A 94 11.703 2.050 1.386 1.00 0.00 H new ATOM 1391 N TYR A 95 5.511 -2.911 4.843 1.00 0.00 N ATOM 1392 CA TYR A 95 4.192 -3.495 5.059 1.00 0.00 C ATOM 1393 C TYR A 95 3.236 -3.120 3.935 1.00 0.00 C ATOM 1394 O TYR A 95 3.520 -2.235 3.135 1.00 0.00 O ATOM 1395 CB TYR A 95 3.607 -3.014 6.388 1.00 0.00 C ATOM 1396 CG TYR A 95 4.567 -3.107 7.548 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.127 -4.322 7.921 1.00 0.00 C ATOM 1398 CD2 TYR A 95 4.910 -1.976 8.271 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.005 -4.406 8.984 1.00 0.00 C ATOM 1400 CE2 TYR A 95 5.787 -2.050 9.336 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.332 -3.266 9.688 1.00 0.00 C ATOM 1402 OH TYR A 95 7.207 -3.344 10.748 1.00 0.00 O ATOM 0 H TYR A 95 5.545 -1.903 4.997 1.00 0.00 H new ATOM 0 HA TYR A 95 4.312 -4.578 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.284 -1.979 6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.718 -3.602 6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.872 -5.216 7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.485 -1.021 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.433 -5.358 9.262 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.044 -1.159 9.890 1.00 0.00 H new ATOM 0 HH TYR A 95 7.841 -4.076 10.596 1.00 0.00 H new ATOM 1412 N CYS A 96 2.095 -3.792 3.896 1.00 0.00 N ATOM 1413 CA CYS A 96 1.074 -3.519 2.895 1.00 0.00 C ATOM 1414 C CYS A 96 -0.296 -3.531 3.558 1.00 0.00 C ATOM 1415 O CYS A 96 -0.564 -4.375 4.415 1.00 0.00 O ATOM 1416 CB CYS A 96 1.129 -4.549 1.766 1.00 0.00 C ATOM 1417 SG CYS A 96 1.432 -6.256 2.326 1.00 0.00 S ATOM 0 H CYS A 96 1.852 -4.535 4.551 1.00 0.00 H new ATOM 0 HA CYS A 96 1.258 -2.537 2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.188 -4.520 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.915 -4.263 1.067 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.157 -2.587 3.187 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.484 -2.515 3.791 1.00 0.00 C ATOM 1424 C ALA A 97 -3.443 -1.638 2.998 1.00 0.00 C ATOM 1425 O ALA A 97 -3.035 -0.869 2.127 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.375 -2.000 5.212 1.00 0.00 C ATOM 0 H ALA A 97 -0.965 -1.873 2.484 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.893 -3.525 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.368 -1.948 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.750 -2.675 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.928 -1.006 5.205 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.729 -1.762 3.324 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.773 -0.987 2.667 1.00 0.00 C ATOM 1434 C LYS A 98 -6.070 0.288 3.452 1.00 0.00 C ATOM 1435 O LYS A 98 -6.069 0.287 4.683 1.00 0.00 O ATOM 1436 CB LYS A 98 -7.043 -1.836 2.520 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.342 -1.045 2.617 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.497 -1.934 3.042 1.00 0.00 C ATOM 1439 CE LYS A 98 -10.055 -2.720 1.869 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.905 -3.857 2.317 1.00 0.00 N ATOM 0 H LYS A 98 -5.071 -2.397 4.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.424 -0.702 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.014 -2.348 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.042 -2.606 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.223 -0.232 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.566 -0.590 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.161 -2.624 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.286 -1.323 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.642 -2.057 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.233 -3.099 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.267 -4.368 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.339 -4.504 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.704 -3.494 2.875 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.329 1.370 2.728 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.632 2.656 3.347 1.00 0.00 C ATOM 1456 C TYR A 99 -8.112 2.752 3.694 1.00 0.00 C ATOM 1457 O TYR A 99 -8.975 2.489 2.856 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.241 3.801 2.408 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.283 4.795 3.025 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -3.948 4.469 3.231 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.712 6.063 3.397 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.071 5.376 3.791 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -4.840 6.976 3.957 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.522 6.628 4.153 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.651 7.535 4.712 1.00 0.00 O ATOM 0 H TYR A 99 -6.335 1.383 1.708 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.054 2.736 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.787 3.383 1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.143 4.326 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.591 3.490 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.745 6.339 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.037 5.106 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.190 7.958 4.240 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.763 7.424 4.313 1.00 0.00 H new ATOM 1475 N SER A 100 -8.401 3.131 4.935 1.00 0.00 N ATOM 1476 CA SER A 100 -9.779 3.261 5.396 1.00 0.00 C ATOM 1477 C SER A 100 -9.851 4.108 6.662 1.00 0.00 C ATOM 1478 O SER A 100 -9.106 3.880 7.615 1.00 0.00 O ATOM 1479 CB SER A 100 -10.385 1.880 5.655 1.00 0.00 C ATOM 1480 OG SER A 100 -11.065 1.398 4.510 1.00 0.00 O ATOM 0 H SER A 100 -7.698 3.354 5.640 1.00 0.00 H new ATOM 0 HA SER A 100 -10.352 3.760 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.597 1.181 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.076 1.935 6.496 1.00 0.00 H new ATOM 0 HG SER A 100 -10.550 1.620 3.706 1.00 0.00 H new ATOM 1486 N GLY A 101 -10.752 5.087 6.664 1.00 0.00 N ATOM 1487 CA GLY A 101 -10.903 5.956 7.817 1.00 0.00 C ATOM 1488 C GLY A 101 -9.904 7.094 7.819 1.00 0.00 C ATOM 1489 O GLY A 101 -10.010 8.022 8.621 1.00 0.00 O ATOM 0 H GLY A 101 -11.380 5.293 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.914 6.364 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.783 5.370 8.728 1.00 0.00 H new ATOM 1493 N GLY A 102 -8.931 7.023 6.916 1.00 0.00 N ATOM 1494 CA GLY A 102 -7.920 8.060 6.829 1.00 0.00 C ATOM 1495 C GLY A 102 -6.608 7.644 7.466 1.00 0.00 C ATOM 1496 O GLY A 102 -5.703 8.461 7.628 1.00 0.00 O ATOM 0 H GLY A 102 -8.825 6.265 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.749 8.310 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.287 8.963 7.316 1.00 0.00 H new ATOM 1500 N ALA A 103 -6.506 6.368 7.828 1.00 0.00 N ATOM 1501 CA ALA A 103 -5.297 5.845 8.451 1.00 0.00 C ATOM 1502 C ALA A 103 -5.072 4.385 8.073 1.00 0.00 C ATOM 1503 O ALA A 103 -6.010 3.588 8.044 1.00 0.00 O ATOM 1504 CB ALA A 103 -5.375 5.995 9.962 1.00 0.00 C ATOM 0 H ALA A 103 -7.247 5.678 7.700 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.449 6.423 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.465 5.600 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.480 7.049 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.236 5.443 10.338 1.00 0.00 H new ATOM 1510 N LEU A 104 -3.820 4.042 7.784 1.00 0.00 N ATOM 1511 CA LEU A 104 -3.464 2.679 7.407 1.00 0.00 C ATOM 1512 C LEU A 104 -3.357 1.782 8.640 1.00 0.00 C ATOM 1513 O LEU A 104 -3.145 2.266 9.752 1.00 0.00 O ATOM 1514 CB LEU A 104 -2.147 2.677 6.622 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.942 1.480 5.688 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.149 1.282 4.785 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.690 1.671 4.851 1.00 0.00 C ATOM 0 H LEU A 104 -3.034 4.691 7.804 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.253 2.280 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.095 3.591 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.320 2.709 7.332 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.824 0.588 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.978 0.426 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.034 1.102 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.301 2.176 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.558 0.812 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.788 2.576 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.176 1.762 5.507 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.520 0.477 8.437 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.456 -0.484 9.537 1.00 0.00 C ATOM 1531 C ASP A 105 -2.212 -1.365 9.438 1.00 0.00 C ATOM 1532 O ASP A 105 -1.635 -1.752 10.454 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.711 -1.357 9.543 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.539 -1.176 10.801 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -5.229 -0.257 11.589 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -6.496 -1.953 10.997 1.00 0.00 O ATOM 0 H ASP A 105 -3.697 0.060 7.523 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.398 0.078 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.321 -1.116 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.422 -2.404 9.450 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.809 -1.673 8.207 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.631 -2.505 7.956 1.00 0.00 C ATOM 1543 C ALA A 106 -0.844 -3.948 8.412 1.00 0.00 C ATOM 1544 O ALA A 106 -0.655 -4.272 9.585 1.00 0.00 O ATOM 1545 CB ALA A 106 0.595 -1.910 8.633 1.00 0.00 C ATOM 0 H ALA A 106 -2.284 -1.357 7.361 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.468 -2.523 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.462 -2.541 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.778 -0.910 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.425 -1.852 9.708 1.00 0.00 H new ATOM 1551 N TRP A 107 -1.221 -4.815 7.471 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.438 -6.229 7.774 1.00 0.00 C ATOM 1553 C TRP A 107 -0.405 -7.091 7.065 1.00 0.00 C ATOM 1554 O TRP A 107 -0.447 -8.319 7.140 1.00 0.00 O ATOM 1555 CB TRP A 107 -2.837 -6.682 7.348 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.909 -5.666 7.571 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -4.185 -5.000 8.729 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.863 -5.210 6.608 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -5.253 -4.157 8.544 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.685 -4.266 7.248 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -5.099 -5.507 5.264 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.727 -3.618 6.591 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -6.133 -4.865 4.612 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.935 -3.930 5.276 1.00 0.00 C ATOM 0 H TRP A 107 -1.382 -4.563 6.496 1.00 0.00 H new ATOM 0 HA TRP A 107 -1.340 -6.347 8.853 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -2.815 -6.943 6.290 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -3.094 -7.589 7.894 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -3.643 -5.118 9.656 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.659 -3.549 9.255 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.484 -6.226 4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -7.348 -2.896 7.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.326 -5.088 3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.736 -3.444 4.738 1.00 0.00 H new ATOM 1575 N GLY A 108 0.512 -6.438 6.370 1.00 0.00 N ATOM 1576 CA GLY A 108 1.542 -7.152 5.641 1.00 0.00 C ATOM 1577 C GLY A 108 2.426 -7.987 6.544 1.00 0.00 C ATOM 1578 O GLY A 108 2.594 -7.676 7.724 1.00 0.00 O ATOM 0 H GLY A 108 0.563 -5.422 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.074 -7.799 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.158 -6.436 5.097 1.00 0.00 H new ATOM 1582 N GLN A 109 2.994 -9.052 5.987 1.00 0.00 N ATOM 1583 CA GLN A 109 3.868 -9.938 6.744 1.00 0.00 C ATOM 1584 C GLN A 109 5.140 -9.212 7.168 1.00 0.00 C ATOM 1585 O GLN A 109 5.748 -9.546 8.186 1.00 0.00 O ATOM 1586 CB GLN A 109 4.226 -11.170 5.912 1.00 0.00 C ATOM 1587 CG GLN A 109 4.043 -12.481 6.657 1.00 0.00 C ATOM 1588 CD GLN A 109 4.928 -12.582 7.883 1.00 0.00 C ATOM 1589 OE1 GLN A 109 6.128 -12.837 7.776 1.00 0.00 O ATOM 1590 NE2 GLN A 109 4.340 -12.382 9.057 1.00 0.00 N ATOM 0 H GLN A 109 2.864 -9.322 5.012 1.00 0.00 H new ATOM 0 HA GLN A 109 3.334 -10.256 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.609 -11.183 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.263 -11.089 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.000 -12.582 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.263 -13.311 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.342 -12.173 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.886 -12.437 9.917 1.00 0.00 H new ATOM 1599 N GLY A 110 5.535 -8.217 6.381 1.00 0.00 N ATOM 1600 CA GLY A 110 6.732 -7.457 6.688 1.00 0.00 C ATOM 1601 C GLY A 110 7.961 -8.004 5.989 1.00 0.00 C ATOM 1602 O GLY A 110 8.440 -9.088 6.322 1.00 0.00 O ATOM 0 H GLY A 110 5.047 -7.923 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.584 -6.418 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.897 -7.464 7.765 1.00 0.00 H new ATOM 1606 N THR A 111 8.470 -7.252 5.019 1.00 0.00 N ATOM 1607 CA THR A 111 9.652 -7.668 4.272 1.00 0.00 C ATOM 1608 C THR A 111 10.892 -6.913 4.742 1.00 0.00 C ATOM 1609 O THR A 111 10.861 -5.695 4.907 1.00 0.00 O ATOM 1610 CB THR A 111 9.469 -7.448 2.760 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.746 -7.419 2.112 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.727 -6.148 2.484 1.00 0.00 C ATOM 0 H THR A 111 8.084 -6.353 4.732 1.00 0.00 H new ATOM 0 HA THR A 111 9.787 -8.733 4.460 1.00 0.00 H new ATOM 0 HB THR A 111 8.878 -8.275 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.747 -6.724 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.611 -6.017 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.744 -6.183 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.294 -5.312 2.893 1.00 0.00 H new ATOM 1620 N GLN A 112 11.979 -7.647 4.963 1.00 0.00 N ATOM 1621 CA GLN A 112 13.228 -7.050 5.426 1.00 0.00 C ATOM 1622 C GLN A 112 14.060 -6.508 4.265 1.00 0.00 C ATOM 1623 O GLN A 112 14.655 -7.270 3.503 1.00 0.00 O ATOM 1624 CB GLN A 112 14.043 -8.079 6.214 1.00 0.00 C ATOM 1625 CG GLN A 112 15.436 -7.600 6.591 1.00 0.00 C ATOM 1626 CD GLN A 112 15.481 -6.951 7.961 1.00 0.00 C ATOM 1627 OE1 GLN A 112 15.729 -7.616 8.968 1.00 0.00 O ATOM 1628 NE2 GLN A 112 15.239 -5.646 8.007 1.00 0.00 N ATOM 0 H GLN A 112 12.020 -8.657 4.829 1.00 0.00 H new ATOM 0 HA GLN A 112 12.973 -6.212 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.500 -8.340 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.130 -8.990 5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.124 -8.445 6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.785 -6.887 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.038 -5.134 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 112 15.254 -5.156 8.901 1.00 0.00 H new ATOM 1637 N VAL A 113 14.107 -5.184 4.153 1.00 0.00 N ATOM 1638 CA VAL A 113 14.880 -4.523 3.103 1.00 0.00 C ATOM 1639 C VAL A 113 16.060 -3.768 3.710 1.00 0.00 C ATOM 1640 O VAL A 113 15.919 -3.123 4.749 1.00 0.00 O ATOM 1641 CB VAL A 113 14.009 -3.539 2.296 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.834 -2.844 1.223 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.818 -4.259 1.680 1.00 0.00 C ATOM 0 H VAL A 113 13.617 -4.544 4.779 1.00 0.00 H new ATOM 0 HA VAL A 113 15.245 -5.298 2.428 1.00 0.00 H new ATOM 0 HB VAL A 113 13.631 -2.778 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.200 -2.155 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.648 -2.290 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.246 -3.588 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.216 -3.548 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.173 -5.045 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.211 -4.701 2.470 1.00 0.00 H new ATOM 1653 N THR A 114 17.226 -3.859 3.071 1.00 0.00 N ATOM 1654 CA THR A 114 18.417 -3.185 3.582 1.00 0.00 C ATOM 1655 C THR A 114 19.289 -2.611 2.463 1.00 0.00 C ATOM 1656 O THR A 114 19.273 -3.096 1.331 1.00 0.00 O ATOM 1657 CB THR A 114 19.267 -4.142 4.440 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.464 -4.703 5.484 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.460 -3.417 5.048 1.00 0.00 C ATOM 0 H THR A 114 17.370 -4.386 2.210 1.00 0.00 H new ATOM 0 HA THR A 114 18.059 -2.358 4.195 1.00 0.00 H new ATOM 0 HB THR A 114 19.638 -4.938 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.009 -5.312 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 114 21.043 -4.115 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 114 21.085 -3.014 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 114 20.107 -2.602 5.680 1.00 0.00 H new ATOM 1667 N VAL A 115 20.053 -1.573 2.804 1.00 0.00 N ATOM 1668 CA VAL A 115 20.946 -0.914 1.856 1.00 0.00 C ATOM 1669 C VAL A 115 22.373 -0.868 2.398 1.00 0.00 C ATOM 1670 O VAL A 115 22.619 -0.321 3.472 1.00 0.00 O ATOM 1671 CB VAL A 115 20.477 0.523 1.559 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.186 1.083 0.334 1.00 0.00 C ATOM 1673 CG2 VAL A 115 18.968 0.558 1.377 1.00 0.00 C ATOM 0 H VAL A 115 20.069 -1.169 3.740 1.00 0.00 H new ATOM 0 HA VAL A 115 20.925 -1.495 0.934 1.00 0.00 H new ATOM 0 HB VAL A 115 20.736 1.153 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.838 2.098 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.262 1.095 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.967 0.457 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.650 1.579 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.687 -0.087 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.483 0.207 2.288 1.00 0.00 H new ATOM 1683 N SER A 116 23.310 -1.445 1.650 1.00 0.00 N ATOM 1684 CA SER A 116 24.710 -1.467 2.060 1.00 0.00 C ATOM 1685 C SER A 116 25.629 -1.716 0.862 1.00 0.00 C ATOM 1686 O SER A 116 25.666 -0.912 -0.070 1.00 0.00 O ATOM 1687 CB SER A 116 24.924 -2.533 3.140 1.00 0.00 C ATOM 1688 OG SER A 116 25.442 -1.960 4.327 1.00 0.00 O ATOM 0 H SER A 116 23.125 -1.903 0.758 1.00 0.00 H new ATOM 0 HA SER A 116 24.964 -0.492 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 116 23.979 -3.031 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 116 25.610 -3.296 2.771 1.00 0.00 H new ATOM 0 HG SER A 116 25.568 -2.661 5.001 1.00 0.00 H new