USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 919 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 65 LYS NZ :NH3+ 177:sc= -0.099 (180deg=-0.481) USER MOD Set 1.2: A 67 TYR OH : rot 100:sc=-0.00195 USER MOD Set 1.3: A 103 CYS SG : rot -17:sc= -0.153 USER MOD Set 2.1: A 58 THR OG1 : rot -162:sc= -0.298 USER MOD Set 2.2: A 60 GLN : amide:sc= -0.0023 K(o=-0.3,f=-4.1!) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= -0.0458 USER MOD Set 4.1: A 20 SER OG : rot 160:sc= -0.195 USER MOD Set 4.2: A 22 LYS NZ :NH3+ -147:sc= 0.455 (180deg=0) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 168:sc= -0.927 (180deg=-1.1) USER MOD Set 5.2: A 27 GLN : amide:sc= 0 X(o=-0.93,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 18 THR OG1 : rot -61:sc= -0.256 USER MOD Single : A 32 MET CE :methyl -171:sc= -3.77! (180deg=-4.08!) USER MOD Single : A 33 ASN : amide:sc= -6.87! C(o=-6.9!,f=-15!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -69:sc= 0.271 USER MOD Single : A 46 ASN : amide:sc= -12.5! C(o=-12!,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0062) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -100:sc= -2.44 (180deg=-5.65!) USER MOD Single : A 59 THR OG1 : rot -36:sc= 0.277 USER MOD Single : A 66 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.65) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 51:sc= 0.242 USER MOD Single : A 74 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.3!) USER MOD Single : A 77 TYR OH : rot -22:sc= 0.43 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 89 GLN : amide:sc= -3.15 K(o=-3.2,f=-0.17) USER MOD Single : A 93 GLN : amide:sc= -0.524 K(o=-0.52,f=-4!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 95 TYR OH : rot 174:sc= -0.065 USER MOD Single : A 96 SER OG : rot 64:sc= 0.167 USER MOD Single : A 97 LYS NZ :NH3+ -107:sc= 0.101 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.432! USER MOD Single : A 110 CYS SG : rot -160:sc= -3.55! USER MOD Single : A 112 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.628 -6.322 -26.921 1.00 0.00 N ATOM 2 CA GLY A 1 5.315 -4.913 -27.142 1.00 0.00 C ATOM 3 C GLY A 1 3.865 -4.694 -27.548 1.00 0.00 C ATOM 4 O GLY A 1 3.047 -4.234 -26.765 1.00 0.00 O ATOM 0 H1 GLY A 1 6.627 -6.417 -26.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.024 -6.697 -26.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.457 -6.857 -27.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.523 -4.351 -26.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.970 -4.516 -27.918 1.00 0.00 H new ATOM 10 N SER A 2 3.600 -5.069 -28.813 1.00 0.00 N ATOM 11 CA SER A 2 2.252 -4.906 -29.339 1.00 0.00 C ATOM 12 C SER A 2 2.114 -5.721 -30.627 1.00 0.00 C ATOM 13 O SER A 2 3.062 -5.869 -31.387 1.00 0.00 O ATOM 14 CB SER A 2 2.001 -3.401 -29.623 1.00 0.00 C ATOM 15 OG SER A 2 2.912 -2.726 -30.580 1.00 0.00 O ATOM 0 H SER A 2 4.278 -5.471 -29.460 1.00 0.00 H new ATOM 0 HA SER A 2 1.517 -5.261 -28.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.982 -3.294 -29.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.052 -2.866 -28.675 1.00 0.00 H new ATOM 0 HG SER A 2 2.650 -1.786 -30.674 1.00 0.00 H new ATOM 21 N VAL A 3 0.876 -6.237 -30.809 1.00 0.00 N ATOM 22 CA VAL A 3 0.584 -7.059 -31.981 1.00 0.00 C ATOM 23 C VAL A 3 -0.791 -6.709 -32.572 1.00 0.00 C ATOM 24 O VAL A 3 -0.895 -6.194 -33.678 1.00 0.00 O ATOM 25 CB VAL A 3 0.686 -8.554 -31.608 1.00 0.00 C ATOM 26 CG1 VAL A 3 0.306 -9.442 -32.799 1.00 0.00 C ATOM 27 CG2 VAL A 3 2.100 -8.911 -31.125 1.00 0.00 C ATOM 0 H VAL A 3 0.091 -6.098 -30.173 1.00 0.00 H new ATOM 0 HA VAL A 3 1.322 -6.850 -32.755 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.016 -8.735 -30.794 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.386 -10.490 -32.511 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.719 -9.226 -33.102 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.980 -9.242 -33.632 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.141 -9.970 -30.870 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.819 -8.701 -31.917 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.345 -8.316 -30.245 1.00 0.00 H new ATOM 37 N ALA A 4 -1.828 -7.037 -31.779 1.00 0.00 N ATOM 38 CA ALA A 4 -3.199 -6.791 -32.213 1.00 0.00 C ATOM 39 C ALA A 4 -4.109 -6.603 -30.989 1.00 0.00 C ATOM 40 O ALA A 4 -4.676 -5.530 -30.822 1.00 0.00 O ATOM 41 CB ALA A 4 -3.705 -7.906 -33.149 1.00 0.00 C ATOM 0 H ALA A 4 -1.738 -7.463 -30.857 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.222 -5.870 -32.795 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.729 -7.690 -33.452 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.068 -7.957 -34.032 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.676 -8.862 -32.625 1.00 0.00 H new ATOM 47 N PRO A 5 -4.249 -7.665 -30.129 1.00 0.00 N ATOM 48 CA PRO A 5 -5.092 -7.565 -28.936 1.00 0.00 C ATOM 49 C PRO A 5 -4.569 -6.492 -27.975 1.00 0.00 C ATOM 50 O PRO A 5 -3.510 -5.921 -28.196 1.00 0.00 O ATOM 51 CB PRO A 5 -5.042 -8.953 -28.272 1.00 0.00 C ATOM 52 CG PRO A 5 -4.095 -9.823 -29.103 1.00 0.00 C ATOM 53 CD PRO A 5 -3.600 -8.972 -30.268 1.00 0.00 C ATOM 0 HA PRO A 5 -6.110 -7.276 -29.197 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.688 -8.874 -27.244 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.037 -9.397 -28.234 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.258 -10.167 -28.496 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.611 -10.711 -29.468 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.515 -8.872 -30.243 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.855 -9.433 -31.222 1.00 0.00 H new ATOM 61 N VAL A 6 -5.372 -6.245 -26.917 1.00 0.00 N ATOM 62 CA VAL A 6 -4.972 -5.251 -25.924 1.00 0.00 C ATOM 63 C VAL A 6 -4.874 -3.867 -26.590 1.00 0.00 C ATOM 64 O VAL A 6 -3.824 -3.234 -26.623 1.00 0.00 O ATOM 65 CB VAL A 6 -3.647 -5.659 -25.232 1.00 0.00 C ATOM 66 CG1 VAL A 6 -3.254 -4.670 -24.128 1.00 0.00 C ATOM 67 CG2 VAL A 6 -3.725 -7.100 -24.700 1.00 0.00 C ATOM 0 H VAL A 6 -6.265 -6.705 -26.740 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.729 -5.199 -25.142 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.858 -5.624 -25.984 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.320 -4.991 -23.667 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.124 -3.677 -24.558 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.039 -4.638 -23.372 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.783 -7.362 -24.219 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.536 -7.177 -23.976 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.912 -7.784 -25.528 1.00 0.00 H new ATOM 77 N GLU A 7 -6.035 -3.449 -27.132 1.00 0.00 N ATOM 78 CA GLU A 7 -6.074 -2.149 -27.793 1.00 0.00 C ATOM 79 C GLU A 7 -5.942 -1.033 -26.760 1.00 0.00 C ATOM 80 O GLU A 7 -5.921 -1.289 -25.563 1.00 0.00 O ATOM 81 CB GLU A 7 -7.390 -2.002 -28.569 1.00 0.00 C ATOM 82 CG GLU A 7 -7.231 -1.103 -29.809 1.00 0.00 C ATOM 83 CD GLU A 7 -8.163 -1.566 -30.939 1.00 0.00 C ATOM 84 OE1 GLU A 7 -7.911 -2.632 -31.500 1.00 0.00 O ATOM 85 OE2 GLU A 7 -9.122 -0.862 -31.245 1.00 0.00 O ATOM 0 H GLU A 7 -6.912 -3.969 -27.124 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.241 -2.077 -28.492 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.741 -2.987 -28.878 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.153 -1.583 -27.913 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.456 -0.069 -29.546 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.196 -1.127 -30.151 1.00 0.00 H new ATOM 92 N THR A 8 -5.847 0.196 -27.307 1.00 0.00 N ATOM 93 CA THR A 8 -5.724 1.420 -26.523 1.00 0.00 C ATOM 94 C THR A 8 -4.587 1.326 -25.470 1.00 0.00 C ATOM 95 O THR A 8 -3.845 0.354 -25.396 1.00 0.00 O ATOM 96 CB THR A 8 -7.137 1.812 -25.938 1.00 0.00 C ATOM 97 OG1 THR A 8 -7.301 3.140 -25.296 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.471 0.860 -24.763 1.00 0.00 C ATOM 0 H THR A 8 -5.855 0.357 -28.314 1.00 0.00 H new ATOM 0 HA THR A 8 -5.412 2.242 -27.168 1.00 0.00 H new ATOM 0 HB THR A 8 -7.758 1.777 -26.833 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.225 3.241 -24.985 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.445 1.120 -24.350 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.493 -0.169 -25.123 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.710 0.957 -23.988 1.00 0.00 H new ATOM 106 N LEU A 9 -4.502 2.397 -24.663 1.00 0.00 N ATOM 107 CA LEU A 9 -3.477 2.425 -23.627 1.00 0.00 C ATOM 108 C LEU A 9 -4.023 1.809 -22.333 1.00 0.00 C ATOM 109 O LEU A 9 -5.189 1.959 -21.992 1.00 0.00 O ATOM 110 CB LEU A 9 -3.053 3.870 -23.397 1.00 0.00 C ATOM 111 CG LEU A 9 -2.312 4.448 -24.612 1.00 0.00 C ATOM 112 CD1 LEU A 9 -2.091 5.958 -24.449 1.00 0.00 C ATOM 113 CD2 LEU A 9 -0.982 3.706 -24.830 1.00 0.00 C ATOM 0 H LEU A 9 -5.106 3.218 -24.708 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.612 1.841 -23.941 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.933 4.478 -23.185 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.409 3.924 -22.519 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.929 4.301 -25.498 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.565 6.345 -25.321 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.055 6.459 -24.355 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.497 6.144 -23.555 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.468 4.127 -25.694 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.355 3.817 -23.946 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.180 2.648 -25.005 1.00 0.00 H new ATOM 125 N GLU A 10 -3.093 1.115 -21.644 1.00 0.00 N ATOM 126 CA GLU A 10 -3.432 0.445 -20.389 1.00 0.00 C ATOM 127 C GLU A 10 -2.177 -0.274 -19.885 1.00 0.00 C ATOM 128 O GLU A 10 -1.160 -0.273 -20.566 1.00 0.00 O ATOM 129 CB GLU A 10 -4.566 -0.579 -20.613 1.00 0.00 C ATOM 130 CG GLU A 10 -4.337 -1.474 -21.850 1.00 0.00 C ATOM 131 CD GLU A 10 -5.121 -2.787 -21.715 1.00 0.00 C ATOM 132 OE1 GLU A 10 -4.618 -3.704 -21.065 1.00 0.00 O ATOM 133 OE2 GLU A 10 -6.220 -2.882 -22.260 1.00 0.00 O ATOM 0 H GLU A 10 -2.121 1.010 -21.935 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.776 1.177 -19.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.659 -1.209 -19.728 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.511 -0.047 -20.726 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.651 -0.947 -22.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.274 -1.688 -21.960 1.00 0.00 H new ATOM 140 N VAL A 11 -2.315 -0.883 -18.673 1.00 0.00 N ATOM 141 CA VAL A 11 -1.243 -1.648 -18.026 1.00 0.00 C ATOM 142 C VAL A 11 0.105 -0.922 -18.135 1.00 0.00 C ATOM 143 O VAL A 11 1.006 -1.309 -18.864 1.00 0.00 O ATOM 144 CB VAL A 11 -1.142 -3.084 -18.597 1.00 0.00 C ATOM 145 CG1 VAL A 11 -1.074 -3.132 -20.135 1.00 0.00 C ATOM 146 CG2 VAL A 11 0.054 -3.845 -17.989 1.00 0.00 C ATOM 0 H VAL A 11 -3.177 -0.849 -18.129 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.498 -1.728 -16.969 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.069 -3.579 -18.307 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.005 -4.169 -20.464 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.972 -2.678 -20.553 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.197 -2.583 -20.478 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.098 -4.850 -18.410 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.978 -3.314 -18.219 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.067 -3.910 -16.908 1.00 0.00 H new ATOM 156 N GLU A 12 0.138 0.191 -17.411 1.00 0.00 N ATOM 157 CA GLU A 12 1.340 1.013 -17.440 1.00 0.00 C ATOM 158 C GLU A 12 1.380 1.896 -16.215 1.00 0.00 C ATOM 159 O GLU A 12 0.495 2.740 -16.020 1.00 0.00 O ATOM 160 CB GLU A 12 1.346 1.888 -18.700 1.00 0.00 C ATOM 161 CG GLU A 12 1.872 1.152 -19.939 1.00 0.00 C ATOM 162 CD GLU A 12 2.423 2.127 -20.990 1.00 0.00 C ATOM 163 OE1 GLU A 12 1.742 3.102 -21.306 1.00 0.00 O ATOM 164 OE2 GLU A 12 3.532 1.903 -21.477 1.00 0.00 O ATOM 0 H GLU A 12 -0.619 0.534 -16.820 1.00 0.00 H new ATOM 0 HA GLU A 12 2.215 0.363 -17.450 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.333 2.240 -18.896 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.961 2.770 -18.520 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.656 0.456 -19.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.069 0.560 -20.378 1.00 0.00 H new ATOM 171 N LYS A 13 2.416 1.637 -15.414 1.00 0.00 N ATOM 172 CA LYS A 13 2.691 2.373 -14.214 1.00 0.00 C ATOM 173 C LYS A 13 1.826 1.955 -13.047 1.00 0.00 C ATOM 174 O LYS A 13 2.318 1.884 -11.930 1.00 0.00 O ATOM 175 CB LYS A 13 2.669 3.849 -14.395 1.00 0.00 C ATOM 176 CG LYS A 13 3.808 4.363 -15.187 1.00 0.00 C ATOM 177 CD LYS A 13 5.184 3.817 -14.959 1.00 0.00 C ATOM 178 CE LYS A 13 6.290 4.725 -15.485 1.00 0.00 C ATOM 179 NZ LYS A 13 6.924 5.479 -14.407 1.00 0.00 N ATOM 0 H LYS A 13 3.089 0.893 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 13 3.719 2.105 -13.968 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.738 4.133 -14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.672 4.327 -13.416 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.568 4.208 -16.239 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.855 5.440 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.332 3.658 -13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.265 2.842 -15.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.040 4.125 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.876 5.416 -16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.794 5.926 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.271 6.213 -14.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.160 4.835 -13.625 1.00 0.00 H new ATOM 193 N TRP A 14 0.571 1.554 -13.356 1.00 0.00 N ATOM 194 CA TRP A 14 -0.294 1.177 -12.246 1.00 0.00 C ATOM 195 C TRP A 14 0.008 -0.296 -11.952 1.00 0.00 C ATOM 196 O TRP A 14 0.307 -0.654 -10.819 1.00 0.00 O ATOM 197 CB TRP A 14 -1.785 1.514 -12.536 1.00 0.00 C ATOM 198 CG TRP A 14 -2.643 0.453 -13.214 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.243 0.554 -14.468 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.126 -0.784 -12.658 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.042 -0.531 -14.693 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.002 -1.387 -13.592 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.876 -1.399 -11.467 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.602 -2.588 -13.252 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.472 -2.608 -11.164 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.326 -3.204 -12.058 1.00 0.00 C ATOM 0 H TRP A 14 0.170 1.489 -14.291 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.094 1.756 -11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.259 1.770 -11.589 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.810 2.409 -13.157 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.098 1.370 -15.160 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.587 -0.691 -15.540 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.207 -0.938 -10.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.298 -3.047 -13.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.265 -3.087 -10.218 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.779 -4.155 -11.822 1.00 0.00 H new ATOM 217 N PHE A 15 -0.097 -1.117 -13.023 1.00 0.00 N ATOM 218 CA PHE A 15 0.221 -2.533 -12.891 1.00 0.00 C ATOM 219 C PHE A 15 1.712 -2.744 -13.213 1.00 0.00 C ATOM 220 O PHE A 15 2.061 -3.095 -14.333 1.00 0.00 O ATOM 221 CB PHE A 15 -0.710 -3.400 -13.759 1.00 0.00 C ATOM 222 CG PHE A 15 -0.607 -4.874 -13.440 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.636 -5.343 -12.121 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.477 -5.802 -14.479 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.517 -6.711 -11.868 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.360 -7.163 -14.223 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.378 -7.619 -12.913 1.00 0.00 C ATOM 0 H PHE A 15 -0.391 -0.823 -13.955 1.00 0.00 H new ATOM 0 HA PHE A 15 0.048 -2.856 -11.864 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.740 -3.074 -13.616 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.469 -3.243 -14.810 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.750 -4.649 -11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.467 -5.453 -15.501 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.533 -7.069 -10.849 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.256 -7.862 -15.040 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.284 -8.675 -12.705 1.00 0.00 H new ATOM 237 N PHE A 16 2.559 -2.509 -12.185 1.00 0.00 N ATOM 238 CA PHE A 16 4.011 -2.669 -12.364 1.00 0.00 C ATOM 239 C PHE A 16 4.420 -4.040 -11.802 1.00 0.00 C ATOM 240 O PHE A 16 3.649 -4.709 -11.124 1.00 0.00 O ATOM 241 CB PHE A 16 4.756 -1.512 -11.635 1.00 0.00 C ATOM 242 CG PHE A 16 5.830 -0.821 -12.454 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.566 -0.348 -13.745 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.107 -0.624 -11.924 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.553 0.280 -14.502 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.106 -0.030 -12.709 1.00 0.00 C ATOM 247 CZ PHE A 16 7.829 0.433 -13.990 1.00 0.00 C ATOM 0 H PHE A 16 2.269 -2.217 -11.252 1.00 0.00 H new ATOM 0 HA PHE A 16 4.279 -2.625 -13.420 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.023 -0.768 -11.324 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.212 -1.909 -10.728 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.578 -0.472 -14.162 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.325 -0.929 -10.911 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.321 0.648 -15.491 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.106 0.069 -12.312 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.601 0.907 -14.579 1.00 0.00 H new ATOM 257 N ARG A 17 5.697 -4.382 -12.063 1.00 0.00 N ATOM 258 CA ARG A 17 6.218 -5.677 -11.613 1.00 0.00 C ATOM 259 C ARG A 17 6.630 -5.588 -10.129 1.00 0.00 C ATOM 260 O ARG A 17 6.063 -4.818 -9.368 1.00 0.00 O ATOM 261 CB ARG A 17 7.400 -6.047 -12.548 1.00 0.00 C ATOM 262 CG ARG A 17 6.919 -6.824 -13.775 1.00 0.00 C ATOM 263 CD ARG A 17 8.084 -7.424 -14.568 1.00 0.00 C ATOM 264 NE ARG A 17 7.650 -7.844 -15.896 1.00 0.00 N ATOM 265 CZ ARG A 17 8.484 -8.483 -16.745 1.00 0.00 C ATOM 266 NH1 ARG A 17 9.726 -8.784 -16.386 1.00 0.00 N ATOM 267 NH2 ARG A 17 8.064 -8.817 -17.958 1.00 0.00 N ATOM 0 H ARG A 17 6.364 -3.798 -12.567 1.00 0.00 H new ATOM 0 HA ARG A 17 5.465 -6.463 -11.672 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.911 -5.139 -12.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.127 -6.645 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.247 -7.622 -13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.344 -6.161 -14.421 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.884 -6.689 -14.658 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.495 -8.278 -14.029 1.00 0.00 H new ATOM 0 HE ARG A 17 6.693 -7.650 -16.191 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.063 -8.533 -15.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.343 -9.267 -17.039 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.113 -8.591 -18.248 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.692 -9.300 -18.600 1.00 0.00 H new ATOM 281 N THR A 18 7.568 -6.449 -9.749 1.00 0.00 N ATOM 282 CA THR A 18 8.151 -6.461 -8.429 1.00 0.00 C ATOM 283 C THR A 18 9.365 -5.562 -8.384 1.00 0.00 C ATOM 284 O THR A 18 10.517 -5.982 -8.337 1.00 0.00 O ATOM 285 CB THR A 18 8.587 -7.884 -7.990 1.00 0.00 C ATOM 286 OG1 THR A 18 9.663 -7.896 -7.005 1.00 0.00 O ATOM 287 CG2 THR A 18 8.618 -8.963 -9.090 1.00 0.00 C ATOM 0 H THR A 18 7.945 -7.167 -10.367 1.00 0.00 H new ATOM 0 HA THR A 18 7.380 -6.105 -7.746 1.00 0.00 H new ATOM 0 HB THR A 18 7.738 -8.256 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.459 -7.468 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.938 -9.912 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.622 -9.076 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.317 -8.666 -9.872 1.00 0.00 H new ATOM 295 N ILE A 19 9.038 -4.273 -8.489 1.00 0.00 N ATOM 296 CA ILE A 19 10.090 -3.291 -8.380 1.00 0.00 C ATOM 297 C ILE A 19 10.492 -3.225 -6.909 1.00 0.00 C ATOM 298 O ILE A 19 9.754 -3.650 -6.026 1.00 0.00 O ATOM 299 CB ILE A 19 9.587 -1.940 -8.884 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.723 -1.053 -9.387 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.665 -1.215 -7.897 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.208 0.338 -9.782 1.00 0.00 C ATOM 0 H ILE A 19 8.098 -3.908 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 19 10.954 -3.560 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 19 8.957 -2.166 -9.744 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.483 -0.956 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.202 -1.523 -10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.349 -0.264 -8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.789 -1.832 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.201 -1.033 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.040 0.947 -10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.467 0.240 -10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.751 0.816 -8.916 1.00 0.00 H new ATOM 314 N SER A 20 11.692 -2.677 -6.686 1.00 0.00 N ATOM 315 CA SER A 20 12.101 -2.539 -5.299 1.00 0.00 C ATOM 316 C SER A 20 11.134 -1.560 -4.603 1.00 0.00 C ATOM 317 O SER A 20 10.506 -0.705 -5.208 1.00 0.00 O ATOM 318 CB SER A 20 13.570 -2.050 -5.286 1.00 0.00 C ATOM 319 OG SER A 20 14.375 -2.432 -4.086 1.00 0.00 O ATOM 0 H SER A 20 12.348 -2.346 -7.393 1.00 0.00 H new ATOM 0 HA SER A 20 12.057 -3.482 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.070 -2.439 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.572 -0.963 -5.369 1.00 0.00 H new ATOM 0 HG SER A 20 15.330 -2.371 -4.299 1.00 0.00 H new ATOM 325 N ARG A 21 11.144 -1.705 -3.282 1.00 0.00 N ATOM 326 CA ARG A 21 10.289 -0.877 -2.428 1.00 0.00 C ATOM 327 C ARG A 21 10.649 0.590 -2.634 1.00 0.00 C ATOM 328 O ARG A 21 9.836 1.426 -2.992 1.00 0.00 O ATOM 329 CB ARG A 21 10.449 -1.307 -0.970 1.00 0.00 C ATOM 330 CG ARG A 21 9.406 -0.660 -0.043 1.00 0.00 C ATOM 331 CD ARG A 21 8.718 -1.688 0.863 1.00 0.00 C ATOM 332 NE ARG A 21 8.721 -1.254 2.256 1.00 0.00 N ATOM 333 CZ ARG A 21 8.298 -2.078 3.237 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.923 -3.325 2.969 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.258 -1.647 4.488 1.00 0.00 N ATOM 0 H ARG A 21 11.725 -2.378 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 21 9.240 -1.008 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.365 -2.392 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.449 -1.043 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.890 0.098 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.655 -0.149 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.691 -1.840 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.226 -2.648 0.778 1.00 0.00 H new ATOM 0 HE ARG A 21 9.047 -0.316 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.953 -3.672 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.606 -3.935 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.547 -0.694 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.939 -2.268 5.231 1.00 0.00 H new ATOM 349 N LYS A 22 11.951 0.817 -2.393 1.00 0.00 N ATOM 350 CA LYS A 22 12.506 2.142 -2.585 1.00 0.00 C ATOM 351 C LYS A 22 12.399 2.652 -4.020 1.00 0.00 C ATOM 352 O LYS A 22 12.439 3.849 -4.273 1.00 0.00 O ATOM 353 CB LYS A 22 13.946 2.278 -2.108 1.00 0.00 C ATOM 354 CG LYS A 22 14.992 1.643 -3.002 1.00 0.00 C ATOM 355 CD LYS A 22 14.933 0.152 -2.888 1.00 0.00 C ATOM 356 CE LYS A 22 15.076 -0.401 -1.466 1.00 0.00 C ATOM 357 NZ LYS A 22 15.556 -1.773 -1.408 1.00 0.00 N ATOM 0 H LYS A 22 12.615 0.111 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 22 11.877 2.769 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.177 3.338 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.025 1.835 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.827 1.943 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.984 1.997 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.984 -0.190 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.722 -0.275 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.761 0.236 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.109 -0.344 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.130 -2.256 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.291 -2.271 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.591 -1.775 -1.309 1.00 0.00 H new ATOM 371 N ASP A 23 12.221 1.666 -4.927 1.00 0.00 N ATOM 372 CA ASP A 23 12.178 2.020 -6.329 1.00 0.00 C ATOM 373 C ASP A 23 10.852 2.652 -6.696 1.00 0.00 C ATOM 374 O ASP A 23 10.798 3.773 -7.161 1.00 0.00 O ATOM 375 CB ASP A 23 12.482 0.814 -7.237 1.00 0.00 C ATOM 376 CG ASP A 23 13.988 0.504 -7.364 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.798 1.109 -6.660 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.329 -0.344 -8.185 1.00 0.00 O ATOM 0 H ASP A 23 12.112 0.675 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 23 12.963 2.758 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.970 -0.065 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.073 1.004 -8.229 1.00 0.00 H new ATOM 383 N ALA A 24 9.786 1.896 -6.463 1.00 0.00 N ATOM 384 CA ALA A 24 8.421 2.377 -6.739 1.00 0.00 C ATOM 385 C ALA A 24 8.170 3.752 -6.075 1.00 0.00 C ATOM 386 O ALA A 24 7.481 4.609 -6.620 1.00 0.00 O ATOM 387 CB ALA A 24 7.453 1.308 -6.233 1.00 0.00 C ATOM 0 H ALA A 24 9.831 0.950 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 24 8.273 2.532 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.428 1.628 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.641 0.370 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.599 1.163 -5.163 1.00 0.00 H new ATOM 393 N GLU A 25 8.775 3.878 -4.872 1.00 0.00 N ATOM 394 CA GLU A 25 8.706 5.094 -4.080 1.00 0.00 C ATOM 395 C GLU A 25 9.439 6.249 -4.784 1.00 0.00 C ATOM 396 O GLU A 25 8.988 7.378 -4.736 1.00 0.00 O ATOM 397 CB GLU A 25 9.285 4.867 -2.684 1.00 0.00 C ATOM 398 CG GLU A 25 8.493 3.827 -1.874 1.00 0.00 C ATOM 399 CD GLU A 25 9.289 3.323 -0.651 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.363 3.846 -0.353 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.828 2.395 -0.001 1.00 0.00 O ATOM 0 H GLU A 25 9.320 3.133 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 25 7.656 5.367 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.321 4.539 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.296 5.812 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.553 4.266 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.240 2.983 -2.516 1.00 0.00 H new ATOM 408 N ARG A 26 10.552 5.910 -5.487 1.00 0.00 N ATOM 409 CA ARG A 26 11.368 6.921 -6.164 1.00 0.00 C ATOM 410 C ARG A 26 10.554 7.622 -7.270 1.00 0.00 C ATOM 411 O ARG A 26 10.693 8.809 -7.540 1.00 0.00 O ATOM 412 CB ARG A 26 12.637 6.272 -6.788 1.00 0.00 C ATOM 413 CG ARG A 26 12.532 5.729 -8.238 1.00 0.00 C ATOM 414 CD ARG A 26 13.469 4.560 -8.578 1.00 0.00 C ATOM 415 NE ARG A 26 14.759 4.688 -7.897 1.00 0.00 N ATOM 416 CZ ARG A 26 15.615 5.700 -8.165 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.347 6.588 -9.114 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.735 5.821 -7.466 1.00 0.00 N ATOM 0 H ARG A 26 10.891 4.954 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 26 11.673 7.659 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.438 7.011 -6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.944 5.449 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.504 5.411 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.735 6.547 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.997 3.620 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.628 4.522 -9.656 1.00 0.00 H new ATOM 0 HE ARG A 26 15.020 3.992 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.485 6.513 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.003 7.345 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.950 5.151 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.382 6.584 -7.667 1.00 0.00 H new ATOM 432 N GLN A 27 9.679 6.785 -7.859 1.00 0.00 N ATOM 433 CA GLN A 27 8.844 7.252 -8.954 1.00 0.00 C ATOM 434 C GLN A 27 7.674 8.111 -8.469 1.00 0.00 C ATOM 435 O GLN A 27 7.450 9.209 -8.963 1.00 0.00 O ATOM 436 CB GLN A 27 8.329 6.067 -9.772 1.00 0.00 C ATOM 437 CG GLN A 27 9.451 5.120 -10.214 1.00 0.00 C ATOM 438 CD GLN A 27 9.089 4.410 -11.527 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.452 3.366 -11.555 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.526 5.065 -12.615 1.00 0.00 N ATOM 0 H GLN A 27 9.542 5.809 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 27 9.467 7.884 -9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.602 5.511 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.805 6.439 -10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.376 5.682 -10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.635 4.380 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.052 5.932 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.331 4.695 -13.545 1.00 0.00 H new ATOM 449 N LEU A 28 6.909 7.535 -7.512 1.00 0.00 N ATOM 450 CA LEU A 28 5.768 8.265 -6.986 1.00 0.00 C ATOM 451 C LEU A 28 6.214 9.577 -6.318 1.00 0.00 C ATOM 452 O LEU A 28 5.555 10.595 -6.459 1.00 0.00 O ATOM 453 CB LEU A 28 4.981 7.348 -6.038 1.00 0.00 C ATOM 454 CG LEU A 28 4.639 6.004 -6.701 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.637 4.884 -5.668 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.275 6.122 -7.374 1.00 0.00 C ATOM 0 H LEU A 28 7.063 6.609 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 28 5.104 8.556 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.565 7.170 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.062 7.846 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 28 5.393 5.761 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.393 3.940 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.623 4.811 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.894 5.099 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.020 5.174 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.521 6.368 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.308 6.908 -8.128 1.00 0.00 H new ATOM 468 N LEU A 29 7.377 9.506 -5.616 1.00 0.00 N ATOM 469 CA LEU A 29 7.906 10.681 -4.925 1.00 0.00 C ATOM 470 C LEU A 29 8.430 11.765 -5.891 1.00 0.00 C ATOM 471 O LEU A 29 8.856 12.825 -5.450 1.00 0.00 O ATOM 472 CB LEU A 29 9.043 10.267 -3.989 1.00 0.00 C ATOM 473 CG LEU A 29 8.523 9.509 -2.766 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.630 8.641 -2.183 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.985 10.489 -1.714 1.00 0.00 C ATOM 0 H LEU A 29 7.944 8.663 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 29 7.075 11.110 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.751 9.640 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.587 11.154 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 29 7.701 8.862 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.252 8.105 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.964 7.925 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.468 9.271 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.619 9.932 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.784 11.161 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.169 11.071 -2.143 1.00 0.00 H new ATOM 487 N ALA A 30 8.387 11.458 -7.203 1.00 0.00 N ATOM 488 CA ALA A 30 8.841 12.417 -8.204 1.00 0.00 C ATOM 489 C ALA A 30 7.929 13.649 -8.196 1.00 0.00 C ATOM 490 O ALA A 30 6.735 13.540 -7.942 1.00 0.00 O ATOM 491 CB ALA A 30 8.861 11.815 -9.614 1.00 0.00 C ATOM 0 H ALA A 30 8.049 10.572 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 30 9.861 12.698 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.206 12.566 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.535 10.959 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.856 11.492 -9.886 1.00 0.00 H new ATOM 497 N PRO A 31 8.533 14.836 -8.489 1.00 0.00 N ATOM 498 CA PRO A 31 7.756 16.058 -8.515 1.00 0.00 C ATOM 499 C PRO A 31 6.806 16.155 -9.707 1.00 0.00 C ATOM 500 O PRO A 31 5.947 17.028 -9.752 1.00 0.00 O ATOM 501 CB PRO A 31 8.809 17.181 -8.643 1.00 0.00 C ATOM 502 CG PRO A 31 10.168 16.514 -8.839 1.00 0.00 C ATOM 503 CD PRO A 31 9.959 15.032 -8.640 1.00 0.00 C ATOM 0 HA PRO A 31 7.129 16.114 -7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.576 17.831 -9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.814 17.806 -7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.559 16.719 -9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.895 16.901 -8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.340 14.468 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.495 14.679 -7.759 1.00 0.00 H new ATOM 511 N MET A 32 6.969 15.192 -10.642 1.00 0.00 N ATOM 512 CA MET A 32 6.083 15.157 -11.773 1.00 0.00 C ATOM 513 C MET A 32 4.712 14.641 -11.329 1.00 0.00 C ATOM 514 O MET A 32 3.672 15.129 -11.745 1.00 0.00 O ATOM 515 CB MET A 32 6.719 14.292 -12.858 1.00 0.00 C ATOM 516 CG MET A 32 7.611 15.067 -13.830 1.00 0.00 C ATOM 517 SD MET A 32 8.052 14.064 -15.253 1.00 0.00 S ATOM 518 CE MET A 32 9.512 13.282 -14.570 1.00 0.00 C ATOM 0 H MET A 32 7.684 14.465 -10.620 1.00 0.00 H new ATOM 0 HA MET A 32 5.927 16.153 -12.188 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.311 13.509 -12.384 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.929 13.796 -13.422 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.094 15.967 -14.163 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.516 15.391 -13.316 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.033 12.734 -15.356 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.174 14.044 -14.159 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.219 12.591 -13.779 1.00 0.00 H new ATOM 528 N ASN A 33 4.782 13.585 -10.495 1.00 0.00 N ATOM 529 CA ASN A 33 3.572 12.968 -9.968 1.00 0.00 C ATOM 530 C ASN A 33 3.232 13.443 -8.561 1.00 0.00 C ATOM 531 O ASN A 33 4.054 14.028 -7.869 1.00 0.00 O ATOM 532 CB ASN A 33 3.717 11.457 -10.021 1.00 0.00 C ATOM 533 CG ASN A 33 3.669 10.929 -11.439 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.500 10.125 -11.818 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.636 11.384 -12.173 1.00 0.00 N ATOM 0 H ASN A 33 5.652 13.155 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 33 2.736 13.277 -10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.661 11.168 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.921 10.996 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.504 11.053 -13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.985 12.060 -11.773 1.00 0.00 H new ATOM 542 N LYS A 34 1.978 13.120 -8.180 1.00 0.00 N ATOM 543 CA LYS A 34 1.571 13.432 -6.823 1.00 0.00 C ATOM 544 C LYS A 34 0.541 12.378 -6.371 1.00 0.00 C ATOM 545 O LYS A 34 0.294 11.417 -7.091 1.00 0.00 O ATOM 546 CB LYS A 34 1.075 14.907 -6.760 1.00 0.00 C ATOM 547 CG LYS A 34 0.044 15.322 -7.824 1.00 0.00 C ATOM 548 CD LYS A 34 -1.284 14.638 -7.578 1.00 0.00 C ATOM 549 CE LYS A 34 -2.486 15.356 -8.253 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.525 15.607 -7.284 1.00 0.00 N ATOM 0 H LYS A 34 1.275 12.669 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 34 2.399 13.375 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.641 15.081 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.941 15.564 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.090 16.404 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.414 15.063 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.230 13.614 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.461 14.582 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.156 16.296 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.876 14.742 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.323 16.087 -7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.850 14.705 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.152 16.210 -6.523 1.00 0.00 H new ATOM 564 N ALA A 35 -0.177 12.727 -5.267 1.00 0.00 N ATOM 565 CA ALA A 35 -1.169 11.840 -4.688 1.00 0.00 C ATOM 566 C ALA A 35 -2.170 11.305 -5.755 1.00 0.00 C ATOM 567 O ALA A 35 -3.059 12.025 -6.195 1.00 0.00 O ATOM 568 CB ALA A 35 -1.866 12.531 -3.489 1.00 0.00 C ATOM 0 H ALA A 35 -0.072 13.616 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.662 10.955 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.608 11.857 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.124 12.780 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.357 13.443 -3.830 1.00 0.00 H new ATOM 574 N GLY A 36 -1.959 10.014 -6.134 1.00 0.00 N ATOM 575 CA GLY A 36 -2.795 9.343 -7.141 1.00 0.00 C ATOM 576 C GLY A 36 -1.979 8.404 -8.044 1.00 0.00 C ATOM 577 O GLY A 36 -2.466 7.366 -8.472 1.00 0.00 O ATOM 0 H GLY A 36 -1.217 9.428 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.577 8.773 -6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.292 10.093 -7.756 1.00 0.00 H new ATOM 581 N SER A 37 -0.715 8.777 -8.306 1.00 0.00 N ATOM 582 CA SER A 37 0.175 7.858 -9.014 1.00 0.00 C ATOM 583 C SER A 37 0.356 6.705 -8.042 1.00 0.00 C ATOM 584 O SER A 37 0.596 6.932 -6.849 1.00 0.00 O ATOM 585 CB SER A 37 1.530 8.585 -9.166 1.00 0.00 C ATOM 586 OG SER A 37 1.930 9.368 -7.967 1.00 0.00 O ATOM 0 H SER A 37 -0.303 9.674 -8.048 1.00 0.00 H new ATOM 0 HA SER A 37 -0.193 7.535 -9.988 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.304 7.849 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.478 9.254 -10.025 1.00 0.00 H new ATOM 0 HG SER A 37 1.335 10.141 -7.868 1.00 0.00 H new ATOM 592 N PHE A 38 0.241 5.486 -8.614 1.00 0.00 N ATOM 593 CA PHE A 38 0.344 4.297 -7.778 1.00 0.00 C ATOM 594 C PHE A 38 1.320 3.310 -8.474 1.00 0.00 C ATOM 595 O PHE A 38 1.660 3.430 -9.637 1.00 0.00 O ATOM 596 CB PHE A 38 -1.047 3.587 -7.705 1.00 0.00 C ATOM 597 CG PHE A 38 -2.082 3.973 -6.661 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.312 5.278 -6.277 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.879 2.995 -6.068 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.304 5.618 -5.361 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.856 3.317 -5.124 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.076 4.636 -4.768 1.00 0.00 C ATOM 0 H PHE A 38 0.084 5.314 -9.607 1.00 0.00 H new ATOM 0 HA PHE A 38 0.683 4.577 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.518 3.713 -8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.853 2.522 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.702 6.062 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.737 1.961 -6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.472 6.655 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.443 2.533 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.834 4.893 -4.043 1.00 0.00 H new ATOM 612 N LEU A 39 1.657 2.283 -7.664 1.00 0.00 N ATOM 613 CA LEU A 39 2.540 1.170 -8.009 1.00 0.00 C ATOM 614 C LEU A 39 2.043 -0.036 -7.270 1.00 0.00 C ATOM 615 O LEU A 39 2.196 -0.090 -6.069 1.00 0.00 O ATOM 616 CB LEU A 39 4.025 1.402 -7.585 1.00 0.00 C ATOM 617 CG LEU A 39 4.873 2.151 -8.625 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.869 1.204 -9.784 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.471 3.571 -9.125 1.00 0.00 C ATOM 0 H LEU A 39 1.300 2.213 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 39 2.523 1.056 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.040 1.963 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.488 0.436 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 39 5.818 2.394 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.449 1.629 -10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.311 0.255 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.844 1.037 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.201 3.920 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.486 3.528 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.444 4.260 -8.281 1.00 0.00 H new ATOM 631 N ILE A 40 1.515 -1.023 -8.072 1.00 0.00 N ATOM 632 CA ILE A 40 0.994 -2.177 -7.350 1.00 0.00 C ATOM 633 C ILE A 40 2.120 -3.187 -7.694 1.00 0.00 C ATOM 634 O ILE A 40 2.058 -4.008 -8.608 1.00 0.00 O ATOM 635 CB ILE A 40 -0.456 -2.567 -7.814 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.285 -3.229 -6.701 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.504 -3.630 -8.901 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.724 -2.628 -6.610 1.00 0.00 C ATOM 0 H ILE A 40 1.452 -1.031 -9.090 1.00 0.00 H new ATOM 0 HA ILE A 40 0.824 -2.063 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.841 -1.603 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.351 -4.301 -6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.777 -3.101 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.542 -3.838 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.026 -3.272 -9.784 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.031 -4.543 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.276 -3.124 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.660 -1.561 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.242 -2.780 -7.557 1.00 0.00 H new ATOM 650 N ARG A 41 3.168 -3.115 -6.849 1.00 0.00 N ATOM 651 CA ARG A 41 4.252 -4.001 -7.186 1.00 0.00 C ATOM 652 C ARG A 41 3.935 -5.315 -6.497 1.00 0.00 C ATOM 653 O ARG A 41 3.223 -5.350 -5.505 1.00 0.00 O ATOM 654 CB ARG A 41 5.537 -3.330 -6.662 1.00 0.00 C ATOM 655 CG ARG A 41 5.746 -3.417 -5.144 1.00 0.00 C ATOM 656 CD ARG A 41 6.586 -4.643 -4.779 1.00 0.00 C ATOM 657 NE ARG A 41 6.728 -4.744 -3.338 1.00 0.00 N ATOM 658 CZ ARG A 41 7.594 -5.603 -2.769 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.374 -6.385 -3.504 1.00 0.00 N ATOM 660 NH2 ARG A 41 7.659 -5.663 -1.448 1.00 0.00 N ATOM 0 H ARG A 41 3.271 -2.521 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 41 4.385 -4.192 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.394 -3.786 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.523 -2.279 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.241 -2.513 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.780 -3.470 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.114 -5.545 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.569 -4.571 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 41 6.156 -4.148 -2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.325 -6.343 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.023 -7.029 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.059 -5.065 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.309 -6.308 -0.998 1.00 0.00 H new ATOM 674 N GLU A 42 4.513 -6.378 -7.079 1.00 0.00 N ATOM 675 CA GLU A 42 4.235 -7.690 -6.514 1.00 0.00 C ATOM 676 C GLU A 42 5.281 -8.039 -5.479 1.00 0.00 C ATOM 677 O GLU A 42 6.453 -7.768 -5.682 1.00 0.00 O ATOM 678 CB GLU A 42 4.161 -8.742 -7.640 1.00 0.00 C ATOM 679 CG GLU A 42 5.473 -9.420 -8.024 1.00 0.00 C ATOM 680 CD GLU A 42 5.228 -10.603 -8.972 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.563 -10.424 -9.992 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.703 -11.696 -8.672 1.00 0.00 O ATOM 0 H GLU A 42 5.135 -6.356 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 42 3.268 -7.677 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.453 -9.514 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.752 -8.262 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.133 -8.697 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.982 -9.769 -7.126 1.00 0.00 H new ATOM 689 N SER A 43 4.844 -8.676 -4.374 1.00 0.00 N ATOM 690 CA SER A 43 5.898 -9.021 -3.424 1.00 0.00 C ATOM 691 C SER A 43 6.624 -10.251 -3.998 1.00 0.00 C ATOM 692 O SER A 43 6.010 -11.298 -4.177 1.00 0.00 O ATOM 693 CB SER A 43 5.287 -9.360 -2.056 1.00 0.00 C ATOM 694 OG SER A 43 6.153 -9.143 -0.859 1.00 0.00 O ATOM 0 H SER A 43 3.886 -8.934 -4.139 1.00 0.00 H new ATOM 0 HA SER A 43 6.587 -8.188 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.381 -8.766 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.983 -10.407 -2.070 1.00 0.00 H new ATOM 0 HG SER A 43 5.660 -9.390 -0.049 1.00 0.00 H new ATOM 700 N GLU A 44 7.916 -10.052 -4.336 1.00 0.00 N ATOM 701 CA GLU A 44 8.748 -11.119 -4.886 1.00 0.00 C ATOM 702 C GLU A 44 9.223 -12.126 -3.816 1.00 0.00 C ATOM 703 O GLU A 44 10.390 -12.491 -3.730 1.00 0.00 O ATOM 704 CB GLU A 44 9.958 -10.540 -5.600 1.00 0.00 C ATOM 705 CG GLU A 44 10.704 -9.463 -4.781 1.00 0.00 C ATOM 706 CD GLU A 44 12.045 -9.068 -5.441 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.986 -9.847 -5.307 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.154 -8.011 -6.063 1.00 0.00 O ATOM 0 H GLU A 44 8.397 -9.158 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 44 8.119 -11.660 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.650 -11.348 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.637 -10.106 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.073 -8.580 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.890 -9.836 -3.774 1.00 0.00 H new ATOM 715 N SER A 45 8.247 -12.554 -3.021 1.00 0.00 N ATOM 716 CA SER A 45 8.489 -13.503 -1.954 1.00 0.00 C ATOM 717 C SER A 45 7.319 -14.495 -1.866 1.00 0.00 C ATOM 718 O SER A 45 7.511 -15.682 -1.639 1.00 0.00 O ATOM 719 CB SER A 45 8.774 -12.767 -0.633 1.00 0.00 C ATOM 720 OG SER A 45 7.438 -12.366 -0.074 1.00 0.00 O ATOM 0 H SER A 45 7.276 -12.252 -3.102 1.00 0.00 H new ATOM 0 HA SER A 45 9.382 -14.089 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.309 -13.413 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.402 -11.893 -0.803 1.00 0.00 H new ATOM 0 HG SER A 45 7.567 -11.892 0.774 1.00 0.00 H new ATOM 726 N ASN A 46 6.104 -13.933 -2.053 1.00 0.00 N ATOM 727 CA ASN A 46 4.866 -14.707 -2.003 1.00 0.00 C ATOM 728 C ASN A 46 4.298 -14.946 -3.421 1.00 0.00 C ATOM 729 O ASN A 46 4.349 -14.098 -4.303 1.00 0.00 O ATOM 730 CB ASN A 46 3.809 -13.999 -1.146 1.00 0.00 C ATOM 731 CG ASN A 46 3.837 -12.516 -1.371 1.00 0.00 C ATOM 732 OD1 ASN A 46 4.115 -11.742 -0.466 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.532 -12.190 -2.628 1.00 0.00 N ATOM 0 H ASN A 46 5.965 -12.940 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 46 5.106 -15.669 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.820 -14.388 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.987 -14.214 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.516 -11.210 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.315 -12.920 -3.306 1.00 0.00 H new ATOM 740 N LYS A 47 3.808 -16.173 -3.600 1.00 0.00 N ATOM 741 CA LYS A 47 3.159 -16.601 -4.834 1.00 0.00 C ATOM 742 C LYS A 47 1.769 -16.016 -5.082 1.00 0.00 C ATOM 743 O LYS A 47 0.863 -16.789 -5.364 1.00 0.00 O ATOM 744 CB LYS A 47 3.244 -18.105 -5.075 1.00 0.00 C ATOM 745 CG LYS A 47 2.865 -18.868 -3.838 1.00 0.00 C ATOM 746 CD LYS A 47 4.045 -19.000 -2.859 1.00 0.00 C ATOM 747 CE LYS A 47 4.330 -20.447 -2.490 1.00 0.00 C ATOM 748 NZ LYS A 47 4.838 -21.226 -3.616 1.00 0.00 N ATOM 0 H LYS A 47 3.852 -16.901 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 47 3.766 -16.141 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.583 -18.384 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.257 -18.372 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.036 -18.364 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.513 -19.861 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.936 -18.559 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.828 -18.433 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.056 -20.474 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.416 -20.909 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.095 -22.180 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.103 -21.297 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.678 -20.757 -4.012 1.00 0.00 H new ATOM 762 N GLY A 48 1.599 -14.684 -4.985 1.00 0.00 N ATOM 763 CA GLY A 48 0.266 -14.142 -5.258 1.00 0.00 C ATOM 764 C GLY A 48 -0.097 -12.894 -4.443 1.00 0.00 C ATOM 765 O GLY A 48 -1.192 -12.368 -4.594 1.00 0.00 O ATOM 0 H GLY A 48 2.319 -14.006 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.197 -13.900 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.474 -14.917 -5.060 1.00 0.00 H new ATOM 769 N ALA A 49 0.870 -12.428 -3.607 1.00 0.00 N ATOM 770 CA ALA A 49 0.621 -11.195 -2.808 1.00 0.00 C ATOM 771 C ALA A 49 1.280 -9.992 -3.530 1.00 0.00 C ATOM 772 O ALA A 49 2.255 -10.146 -4.255 1.00 0.00 O ATOM 773 CB ALA A 49 1.115 -11.274 -1.340 1.00 0.00 C ATOM 0 H ALA A 49 1.784 -12.860 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.460 -11.074 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.894 -10.336 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.608 -12.092 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.191 -11.450 -1.327 1.00 0.00 H new ATOM 779 N PHE A 50 0.698 -8.801 -3.272 1.00 0.00 N ATOM 780 CA PHE A 50 1.159 -7.567 -3.905 1.00 0.00 C ATOM 781 C PHE A 50 1.199 -6.469 -2.824 1.00 0.00 C ATOM 782 O PHE A 50 0.903 -6.696 -1.659 1.00 0.00 O ATOM 783 CB PHE A 50 0.203 -7.216 -5.109 1.00 0.00 C ATOM 784 CG PHE A 50 0.295 -8.186 -6.271 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.353 -9.418 -6.209 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.988 -7.869 -7.442 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.321 -10.306 -7.277 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.008 -8.753 -8.521 1.00 0.00 C ATOM 789 CZ PHE A 50 0.356 -9.976 -8.440 1.00 0.00 C ATOM 0 H PHE A 50 -0.087 -8.678 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 50 2.162 -7.668 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.825 -7.193 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.438 -6.213 -5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.891 -9.688 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.514 -6.929 -7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.826 -11.258 -7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.534 -8.484 -9.425 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.376 -10.662 -9.274 1.00 0.00 H new ATOM 799 N SER A 51 1.579 -5.271 -3.272 1.00 0.00 N ATOM 800 CA SER A 51 1.646 -4.092 -2.408 1.00 0.00 C ATOM 801 C SER A 51 1.321 -2.906 -3.325 1.00 0.00 C ATOM 802 O SER A 51 1.551 -2.983 -4.519 1.00 0.00 O ATOM 803 CB SER A 51 3.071 -3.946 -1.780 1.00 0.00 C ATOM 804 OG SER A 51 3.410 -4.739 -0.561 1.00 0.00 O ATOM 0 H SER A 51 1.848 -5.092 -4.239 1.00 0.00 H new ATOM 0 HA SER A 51 0.951 -4.157 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.798 -4.201 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.218 -2.893 -1.539 1.00 0.00 H new ATOM 0 HG SER A 51 4.331 -4.543 -0.289 1.00 0.00 H new ATOM 810 N LEU A 52 0.867 -1.807 -2.714 1.00 0.00 N ATOM 811 CA LEU A 52 0.463 -0.636 -3.486 1.00 0.00 C ATOM 812 C LEU A 52 0.993 0.628 -2.787 1.00 0.00 C ATOM 813 O LEU A 52 0.640 0.954 -1.661 1.00 0.00 O ATOM 814 CB LEU A 52 -1.093 -0.667 -3.453 1.00 0.00 C ATOM 815 CG LEU A 52 -1.810 0.299 -4.406 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.424 0.037 -5.862 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.348 0.281 -4.207 1.00 0.00 C ATOM 0 H LEU A 52 0.772 -1.707 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 52 0.847 -0.635 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.420 -1.681 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.419 -0.450 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.473 1.305 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.950 0.739 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.349 0.168 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.698 -0.982 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.813 0.980 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.727 -0.724 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.586 0.574 -3.185 1.00 0.00 H new ATOM 829 N SER A 53 1.896 1.270 -3.552 1.00 0.00 N ATOM 830 CA SER A 53 2.576 2.483 -3.159 1.00 0.00 C ATOM 831 C SER A 53 1.842 3.659 -3.816 1.00 0.00 C ATOM 832 O SER A 53 1.489 3.608 -4.984 1.00 0.00 O ATOM 833 CB SER A 53 4.032 2.425 -3.642 1.00 0.00 C ATOM 834 OG SER A 53 4.915 1.561 -2.803 1.00 0.00 O ATOM 0 H SER A 53 2.167 0.939 -4.478 1.00 0.00 H new ATOM 0 HA SER A 53 2.577 2.601 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.050 2.057 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.439 3.436 -3.659 1.00 0.00 H new ATOM 0 HG SER A 53 5.824 1.570 -3.169 1.00 0.00 H new ATOM 840 N VAL A 54 1.641 4.713 -3.008 1.00 0.00 N ATOM 841 CA VAL A 54 0.952 5.902 -3.526 1.00 0.00 C ATOM 842 C VAL A 54 1.672 7.107 -2.948 1.00 0.00 C ATOM 843 O VAL A 54 2.128 7.010 -1.823 1.00 0.00 O ATOM 844 CB VAL A 54 -0.519 5.952 -3.088 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.275 7.141 -3.710 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.174 4.607 -3.341 1.00 0.00 C ATOM 0 H VAL A 54 1.933 4.767 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 54 0.967 5.884 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.563 6.136 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.310 7.132 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.801 8.074 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.250 7.060 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.218 4.646 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.122 4.371 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.654 3.836 -2.772 1.00 0.00 H new ATOM 856 N LYS A 55 1.660 8.275 -3.626 1.00 0.00 N ATOM 857 CA LYS A 55 2.440 9.327 -2.968 1.00 0.00 C ATOM 858 C LYS A 55 1.563 10.004 -1.893 1.00 0.00 C ATOM 859 O LYS A 55 0.557 10.617 -2.182 1.00 0.00 O ATOM 860 CB LYS A 55 2.823 10.331 -4.067 1.00 0.00 C ATOM 861 CG LYS A 55 3.984 11.258 -3.689 1.00 0.00 C ATOM 862 CD LYS A 55 3.737 12.736 -3.986 1.00 0.00 C ATOM 863 CE LYS A 55 4.598 13.289 -5.127 1.00 0.00 C ATOM 864 NZ LYS A 55 6.012 13.375 -4.812 1.00 0.00 N ATOM 0 H LYS A 55 1.190 8.494 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 55 3.332 8.935 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.090 9.781 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.951 10.938 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.192 11.144 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.878 10.937 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.685 12.876 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.930 13.316 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.470 12.656 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.235 14.281 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.252 14.354 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.229 12.745 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.570 13.088 -5.641 1.00 0.00 H new ATOM 878 N ASP A 56 2.090 9.940 -0.628 1.00 0.00 N ATOM 879 CA ASP A 56 1.293 10.545 0.416 1.00 0.00 C ATOM 880 C ASP A 56 1.896 11.906 0.688 1.00 0.00 C ATOM 881 O ASP A 56 3.093 12.113 0.776 1.00 0.00 O ATOM 882 CB ASP A 56 1.394 9.687 1.683 1.00 0.00 C ATOM 883 CG ASP A 56 0.795 10.350 2.931 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.426 10.459 3.001 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.548 10.776 3.802 1.00 0.00 O ATOM 0 H ASP A 56 2.975 9.515 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 56 0.246 10.626 0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.887 8.738 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.443 9.458 1.873 1.00 0.00 H new ATOM 890 N ILE A 57 0.920 12.829 0.785 1.00 0.00 N ATOM 891 CA ILE A 57 1.277 14.221 0.989 1.00 0.00 C ATOM 892 C ILE A 57 1.070 14.573 2.449 1.00 0.00 C ATOM 893 O ILE A 57 -0.038 14.738 2.946 1.00 0.00 O ATOM 894 CB ILE A 57 0.415 15.129 0.095 1.00 0.00 C ATOM 895 CG1 ILE A 57 0.395 14.685 -1.370 1.00 0.00 C ATOM 896 CG2 ILE A 57 0.797 16.603 0.247 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.662 15.005 -2.074 1.00 0.00 C ATOM 0 H ILE A 57 -0.080 12.635 0.727 1.00 0.00 H new ATOM 0 HA ILE A 57 2.323 14.373 0.721 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.610 15.022 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.216 13.611 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.435 15.170 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.165 17.211 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.657 16.910 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.842 16.739 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.598 14.670 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.829 16.082 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.491 14.498 -1.580 1.00 0.00 H new ATOM 909 N THR A 58 2.251 14.645 3.079 1.00 0.00 N ATOM 910 CA THR A 58 2.330 14.965 4.485 1.00 0.00 C ATOM 911 C THR A 58 3.102 16.261 4.671 1.00 0.00 C ATOM 912 O THR A 58 3.897 16.666 3.831 1.00 0.00 O ATOM 913 CB THR A 58 2.971 13.802 5.227 1.00 0.00 C ATOM 914 OG1 THR A 58 2.929 14.322 6.608 1.00 0.00 O ATOM 915 CG2 THR A 58 4.324 13.424 4.508 1.00 0.00 C ATOM 0 H THR A 58 3.152 14.485 2.628 1.00 0.00 H new ATOM 0 HA THR A 58 1.333 15.117 4.899 1.00 0.00 H new ATOM 0 HB THR A 58 2.512 12.813 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.562 13.822 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.794 12.591 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.120 13.136 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.994 14.283 4.519 1.00 0.00 H new ATOM 923 N THR A 59 2.749 16.920 5.799 1.00 0.00 N ATOM 924 CA THR A 59 3.391 18.153 6.231 1.00 0.00 C ATOM 925 C THR A 59 4.864 17.936 6.640 1.00 0.00 C ATOM 926 O THR A 59 5.460 18.836 7.226 1.00 0.00 O ATOM 927 CB THR A 59 2.630 18.953 7.330 1.00 0.00 C ATOM 928 OG1 THR A 59 3.075 20.290 7.754 1.00 0.00 O ATOM 929 CG2 THR A 59 2.480 18.074 8.580 1.00 0.00 C ATOM 0 H THR A 59 2.010 16.600 6.425 1.00 0.00 H new ATOM 0 HA THR A 59 3.359 18.780 5.340 1.00 0.00 H new ATOM 0 HB THR A 59 1.707 19.189 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.054 20.327 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.948 18.629 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.919 17.175 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.467 17.794 8.948 1.00 0.00 H new ATOM 937 N GLN A 60 5.417 16.734 6.366 1.00 0.00 N ATOM 938 CA GLN A 60 6.794 16.470 6.781 1.00 0.00 C ATOM 939 C GLN A 60 7.739 16.735 5.599 1.00 0.00 C ATOM 940 O GLN A 60 8.622 17.581 5.676 1.00 0.00 O ATOM 941 CB GLN A 60 6.930 15.026 7.245 1.00 0.00 C ATOM 942 CG GLN A 60 6.300 14.762 8.620 1.00 0.00 C ATOM 943 CD GLN A 60 6.146 13.241 8.798 1.00 0.00 C ATOM 944 OE1 GLN A 60 5.170 12.596 8.437 1.00 0.00 O ATOM 945 NE2 GLN A 60 7.266 12.733 9.334 1.00 0.00 N ATOM 0 H GLN A 60 4.949 15.968 5.881 1.00 0.00 H new ATOM 0 HA GLN A 60 7.057 17.128 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.464 14.371 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.987 14.763 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.927 15.175 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.330 15.253 8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.029 13.354 9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.355 11.726 9.471 1.00 0.00 H new ATOM 954 N GLY A 61 7.539 15.943 4.530 1.00 0.00 N ATOM 955 CA GLY A 61 8.389 16.152 3.369 1.00 0.00 C ATOM 956 C GLY A 61 8.009 15.279 2.180 1.00 0.00 C ATOM 957 O GLY A 61 8.886 14.890 1.423 1.00 0.00 O ATOM 0 H GLY A 61 6.842 15.202 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.337 17.200 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.424 15.949 3.644 1.00 0.00 H new ATOM 961 N GLU A 62 6.685 14.990 2.050 1.00 0.00 N ATOM 962 CA GLU A 62 6.167 14.163 0.970 1.00 0.00 C ATOM 963 C GLU A 62 6.753 12.738 1.017 1.00 0.00 C ATOM 964 O GLU A 62 7.955 12.528 0.917 1.00 0.00 O ATOM 965 CB GLU A 62 6.439 14.839 -0.377 1.00 0.00 C ATOM 966 CG GLU A 62 5.363 14.473 -1.394 1.00 0.00 C ATOM 967 CD GLU A 62 5.359 15.464 -2.575 1.00 0.00 C ATOM 968 OE1 GLU A 62 6.434 15.831 -3.042 1.00 0.00 O ATOM 969 OE2 GLU A 62 4.284 15.839 -3.035 1.00 0.00 O ATOM 0 H GLU A 62 5.969 15.329 2.693 1.00 0.00 H new ATOM 0 HA GLU A 62 5.089 14.063 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.469 15.921 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.417 14.535 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.536 13.462 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.386 14.473 -0.911 1.00 0.00 H new ATOM 976 N VAL A 63 5.836 11.767 1.159 1.00 0.00 N ATOM 977 CA VAL A 63 6.226 10.365 1.257 1.00 0.00 C ATOM 978 C VAL A 63 5.359 9.540 0.292 1.00 0.00 C ATOM 979 O VAL A 63 4.722 10.084 -0.596 1.00 0.00 O ATOM 980 CB VAL A 63 6.040 9.931 2.722 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.787 10.887 3.684 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.529 9.783 3.065 1.00 0.00 C ATOM 0 H VAL A 63 4.831 11.932 1.207 1.00 0.00 H new ATOM 0 HA VAL A 63 7.268 10.209 0.976 1.00 0.00 H new ATOM 0 HB VAL A 63 6.490 8.947 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.639 10.557 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.852 10.880 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.397 11.898 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.420 9.476 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.026 10.738 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.080 9.031 2.416 1.00 0.00 H new ATOM 992 N VAL A 64 5.355 8.207 0.536 1.00 0.00 N ATOM 993 CA VAL A 64 4.563 7.261 -0.247 1.00 0.00 C ATOM 994 C VAL A 64 3.532 6.648 0.712 1.00 0.00 C ATOM 995 O VAL A 64 3.227 7.194 1.752 1.00 0.00 O ATOM 996 CB VAL A 64 5.479 6.244 -0.989 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.813 5.326 -2.022 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.461 7.007 -1.815 1.00 0.00 C ATOM 0 H VAL A 64 5.901 7.772 1.279 1.00 0.00 H new ATOM 0 HA VAL A 64 4.018 7.742 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 64 5.873 5.632 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.563 4.669 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.046 4.725 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.356 5.931 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.112 6.310 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.927 7.623 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.062 7.646 -1.168 1.00 0.00 H new ATOM 1008 N LYS A 65 2.959 5.534 0.282 1.00 0.00 N ATOM 1009 CA LYS A 65 2.003 4.733 1.035 1.00 0.00 C ATOM 1010 C LYS A 65 2.327 3.246 0.887 1.00 0.00 C ATOM 1011 O LYS A 65 2.958 2.860 -0.076 1.00 0.00 O ATOM 1012 CB LYS A 65 0.574 4.964 0.665 1.00 0.00 C ATOM 1013 CG LYS A 65 0.001 6.094 1.547 1.00 0.00 C ATOM 1014 CD LYS A 65 -0.621 7.069 0.667 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.509 8.126 1.415 1.00 0.00 C ATOM 1016 NZ LYS A 65 -2.955 7.884 1.390 1.00 0.00 N ATOM 0 H LYS A 65 3.155 5.146 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 65 2.109 5.055 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.497 5.233 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.003 4.050 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.728 5.696 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.792 6.559 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.158 7.591 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.236 6.544 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.186 8.171 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.317 9.106 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.439 8.611 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.297 7.923 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.157 6.945 1.789 1.00 0.00 H new ATOM 1030 N HIS A 66 1.820 2.434 1.808 1.00 0.00 N ATOM 1031 CA HIS A 66 2.053 0.990 1.696 1.00 0.00 C ATOM 1032 C HIS A 66 0.801 0.207 2.145 1.00 0.00 C ATOM 1033 O HIS A 66 0.619 -0.054 3.329 1.00 0.00 O ATOM 1034 CB HIS A 66 3.240 0.571 2.582 1.00 0.00 C ATOM 1035 CG HIS A 66 4.536 1.034 1.990 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.363 1.918 2.573 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.048 0.669 0.747 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.363 2.100 1.694 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.197 1.355 0.580 1.00 0.00 N ATOM 0 H HIS A 66 1.266 2.730 2.612 1.00 0.00 H new ATOM 0 HA HIS A 66 2.273 0.763 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.120 0.992 3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.252 -0.513 2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.609 -0.030 0.050 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.200 2.763 1.859 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.818 1.318 -0.228 1.00 0.00 H new ATOM 1047 N TYR A 67 0.001 -0.214 1.143 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.236 -0.952 1.439 1.00 0.00 C ATOM 1049 C TYR A 67 -1.011 -2.421 0.999 1.00 0.00 C ATOM 1050 O TYR A 67 -0.625 -2.713 -0.127 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.409 -0.365 0.629 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.828 1.012 1.077 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.685 1.155 2.162 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.375 2.158 0.440 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.054 2.411 2.642 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.719 3.423 0.925 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.559 3.578 2.030 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.893 4.878 2.434 1.00 0.00 O ATOM 0 H TYR A 67 0.185 -0.060 0.152 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.473 -0.884 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.128 -0.325 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.263 -1.037 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.075 0.271 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.752 2.072 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.722 2.489 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.326 4.301 0.434 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.172 5.243 2.989 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.199 -3.297 2.006 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.039 -4.742 1.889 1.00 0.00 C ATOM 1070 C LYS A 68 -2.247 -5.440 1.240 1.00 0.00 C ATOM 1071 O LYS A 68 -3.291 -5.628 1.850 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.657 -5.389 3.234 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.584 -4.974 4.368 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.289 -3.569 4.923 1.00 0.00 C ATOM 1075 CE LYS A 68 -1.136 -3.522 6.435 1.00 0.00 C ATOM 1076 NZ LYS A 68 -2.381 -3.870 7.107 1.00 0.00 N ATOM 0 H LYS A 68 -1.473 -3.002 2.943 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.205 -4.893 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.679 -6.474 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.367 -5.114 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.614 -5.007 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.502 -5.700 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.375 -3.192 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.095 -2.896 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.349 -4.210 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.823 -2.523 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.243 -3.828 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.125 -3.198 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.665 -4.833 6.834 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.000 -5.821 -0.031 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.949 -6.589 -0.851 1.00 0.00 C ATOM 1092 C ILE A 69 -2.660 -8.105 -0.780 1.00 0.00 C ATOM 1093 O ILE A 69 -1.572 -8.564 -1.084 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.120 -6.099 -2.282 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.877 -5.455 -2.840 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.412 -5.322 -2.525 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.168 -4.849 -4.196 1.00 0.00 C ATOM 0 H ILE A 69 -1.130 -5.601 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.922 -6.404 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.253 -6.998 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.520 -4.684 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.082 -6.196 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.457 -5.008 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.267 -5.959 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.435 -4.443 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.263 -4.386 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.503 -5.630 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.948 -4.094 -4.097 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.715 -8.821 -0.330 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.631 -10.273 -0.247 1.00 0.00 C ATOM 1111 C ARG A 70 -4.319 -10.847 -1.482 1.00 0.00 C ATOM 1112 O ARG A 70 -4.913 -10.132 -2.273 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.299 -10.787 1.039 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.342 -10.604 2.220 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.725 -9.348 2.991 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.281 -9.419 4.385 1.00 0.00 N ATOM 1117 CZ ARG A 70 -1.977 -9.380 4.723 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -1.045 -9.228 3.795 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -1.607 -9.513 5.991 1.00 0.00 N ATOM 0 H ARG A 70 -4.604 -8.420 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.588 -10.589 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.227 -10.244 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.561 -11.839 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.385 -11.474 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.316 -10.525 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.282 -8.475 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.806 -9.215 2.959 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.981 -9.500 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.311 -9.139 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.061 -9.200 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.311 -9.646 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.618 -9.483 6.240 1.00 0.00 H new ATOM 1133 N SER A 71 -4.299 -12.187 -1.514 1.00 0.00 N ATOM 1134 CA SER A 71 -4.908 -12.914 -2.612 1.00 0.00 C ATOM 1135 C SER A 71 -5.725 -14.060 -2.034 1.00 0.00 C ATOM 1136 O SER A 71 -5.209 -14.994 -1.430 1.00 0.00 O ATOM 1137 CB SER A 71 -3.848 -13.534 -3.538 1.00 0.00 C ATOM 1138 OG SER A 71 -2.793 -13.937 -2.550 1.00 0.00 O ATOM 0 H SER A 71 -3.871 -12.774 -0.798 1.00 0.00 H new ATOM 0 HA SER A 71 -5.519 -12.214 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.237 -14.387 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.473 -12.819 -4.271 1.00 0.00 H new ATOM 0 HG SER A 71 -3.202 -14.462 -1.831 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.041 -13.890 -2.242 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.019 -14.849 -1.782 1.00 0.00 C ATOM 1146 C LEU A 72 -8.325 -15.834 -2.895 1.00 0.00 C ATOM 1147 O LEU A 72 -8.311 -15.518 -4.078 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.286 -14.107 -1.328 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.994 -12.841 -0.541 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.832 -13.069 0.435 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.819 -11.635 -1.471 1.00 0.00 C ATOM 0 H LEU A 72 -7.439 -13.088 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.627 -15.408 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.882 -13.852 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.890 -14.776 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.856 -12.593 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.637 -12.151 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.093 -13.866 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.939 -13.352 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.611 -10.745 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.988 -11.819 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.733 -11.483 -2.045 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.638 -17.041 -2.406 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.974 -18.134 -3.310 1.00 0.00 C ATOM 1165 C ASP A 73 -10.260 -17.871 -4.112 1.00 0.00 C ATOM 1166 O ASP A 73 -10.353 -18.213 -5.284 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.164 -19.438 -2.527 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.179 -19.303 -1.370 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.846 -18.685 -0.360 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.291 -19.811 -1.503 1.00 0.00 O ATOM 0 H ASP A 73 -8.664 -17.277 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.140 -18.214 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.500 -20.219 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.203 -19.758 -2.125 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.197 -17.179 -3.426 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.497 -16.900 -4.037 1.00 0.00 C ATOM 1177 C ASN A 74 -12.972 -15.487 -3.665 1.00 0.00 C ATOM 1178 O ASN A 74 -14.115 -15.233 -3.303 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.545 -17.924 -3.555 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.799 -17.877 -2.032 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.050 -17.291 -1.262 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.919 -18.506 -1.652 1.00 0.00 N ATOM 0 H ASN A 74 -11.076 -16.817 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.386 -16.972 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.484 -17.744 -4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.215 -18.926 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.191 -18.515 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.500 -18.976 -2.346 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.968 -14.602 -3.801 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.176 -13.187 -3.503 1.00 0.00 C ATOM 1191 C GLY A 75 -11.552 -12.257 -4.523 1.00 0.00 C ATOM 1192 O GLY A 75 -12.210 -11.401 -5.090 1.00 0.00 O ATOM 0 H GLY A 75 -11.026 -14.841 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.246 -12.989 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.761 -12.966 -2.520 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.260 -12.533 -4.702 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.335 -11.836 -5.586 1.00 0.00 C ATOM 1198 C GLY A 76 -8.228 -11.100 -4.820 1.00 0.00 C ATOM 1199 O GLY A 76 -7.166 -11.647 -4.558 1.00 0.00 O ATOM 0 H GLY A 76 -9.807 -13.297 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.883 -12.553 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.889 -11.120 -6.194 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.575 -9.850 -4.428 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.662 -8.981 -3.708 1.00 0.00 C ATOM 1205 C TYR A 77 -8.490 -8.201 -2.717 1.00 0.00 C ATOM 1206 O TYR A 77 -9.651 -7.889 -2.940 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.927 -8.038 -4.682 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.047 -8.778 -5.657 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.785 -9.199 -5.282 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.466 -9.017 -6.958 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -3.966 -9.892 -6.180 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.646 -9.650 -7.885 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.375 -10.112 -7.498 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.493 -10.735 -8.385 1.00 0.00 O ATOM 0 H TYR A 77 -9.489 -9.436 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.895 -9.560 -3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.660 -7.450 -5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.319 -7.335 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.427 -8.991 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.455 -8.703 -7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.006 -10.261 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.984 -9.787 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.574 -10.627 -8.062 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.801 -7.910 -1.602 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.513 -7.137 -0.562 1.00 0.00 C ATOM 1226 C TYR A 78 -7.526 -6.348 0.285 1.00 0.00 C ATOM 1227 O TYR A 78 -6.452 -6.832 0.615 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.468 -7.971 0.326 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.910 -8.546 1.622 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.736 -7.730 2.747 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.581 -9.898 1.739 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.240 -8.207 3.951 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.094 -10.392 2.964 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.904 -9.555 4.084 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.356 -10.004 5.292 1.00 0.00 O ATOM 0 H TYR A 78 -6.835 -8.169 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.163 -6.449 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.324 -7.345 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.845 -8.800 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.999 -6.685 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.699 -10.561 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.114 -7.535 4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.859 -11.443 3.049 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.176 -10.965 5.232 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.915 -5.062 0.501 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.990 -4.225 1.324 1.00 0.00 C ATOM 1247 C ILE A 79 -7.669 -3.901 2.651 1.00 0.00 C ATOM 1248 O ILE A 79 -7.071 -3.960 3.719 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.439 -2.951 0.643 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.477 -2.313 -0.242 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.172 -3.175 -0.155 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.919 -1.153 -1.130 1.00 0.00 C ATOM 0 H ILE A 79 -8.767 -4.615 0.161 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.095 -4.828 1.477 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.184 -2.282 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.910 -3.077 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.284 -1.926 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.851 -2.233 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.389 -3.550 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.363 -3.903 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.724 -0.742 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.512 -0.369 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.132 -1.538 -1.779 1.00 0.00 H new ATOM 1264 N SER A 80 -8.971 -3.634 2.497 1.00 0.00 N ATOM 1265 CA SER A 80 -9.822 -3.353 3.622 1.00 0.00 C ATOM 1266 C SER A 80 -10.808 -4.509 3.506 1.00 0.00 C ATOM 1267 O SER A 80 -11.507 -4.625 2.513 1.00 0.00 O ATOM 1268 CB SER A 80 -10.586 -2.003 3.511 1.00 0.00 C ATOM 1269 OG SER A 80 -9.771 -0.768 3.338 1.00 0.00 O ATOM 0 H SER A 80 -9.445 -3.610 1.594 1.00 0.00 H new ATOM 0 HA SER A 80 -9.271 -3.266 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.274 -2.073 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.192 -1.884 4.409 1.00 0.00 H new ATOM 0 HG SER A 80 -10.364 0.010 3.279 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.805 -5.395 4.550 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.627 -6.593 4.541 1.00 0.00 C ATOM 1277 C PRO A 81 -13.109 -6.379 4.227 1.00 0.00 C ATOM 1278 O PRO A 81 -13.787 -7.289 3.771 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.459 -7.157 5.964 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.449 -6.309 6.719 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.057 -5.205 5.779 1.00 0.00 C ATOM 0 HA PRO A 81 -11.302 -7.255 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.416 -7.154 6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.123 -8.193 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.883 -5.907 7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.581 -6.901 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.279 -4.232 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.985 -5.230 5.584 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.525 -5.105 4.369 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.896 -4.756 4.017 1.00 0.00 C ATOM 1291 C ARG A 82 -15.047 -4.901 2.481 1.00 0.00 C ATOM 1292 O ARG A 82 -15.887 -5.647 1.995 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.275 -3.343 4.492 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.136 -2.316 4.425 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.566 -2.010 5.817 1.00 0.00 C ATOM 1296 NE ARG A 82 -12.903 -0.709 5.824 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.603 0.440 5.926 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -14.925 0.423 6.038 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -12.966 1.601 5.901 1.00 0.00 N ATOM 0 H ARG A 82 -12.950 -4.335 4.712 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.584 -5.432 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.107 -2.982 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.631 -3.404 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.342 -2.695 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.502 -1.395 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.368 -2.020 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.858 -2.787 6.105 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.887 -0.668 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.425 -0.466 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.442 1.299 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.951 1.624 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.491 2.472 5.978 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.190 -4.134 1.766 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.155 -4.127 0.302 1.00 0.00 C ATOM 1315 C ILE A 83 -13.085 -5.100 -0.289 1.00 0.00 C ATOM 1316 O ILE A 83 -11.873 -5.075 -0.011 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.028 -2.713 -0.248 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.043 -1.896 0.558 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.367 -1.963 -0.289 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.074 -0.468 -0.001 1.00 0.00 C ATOM 0 H ILE A 83 -13.509 -3.508 2.196 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.116 -4.516 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.669 -2.831 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.312 -1.902 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.041 -2.317 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.211 -0.962 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.068 -2.504 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.774 -1.890 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.374 0.156 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.789 -0.483 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.080 -0.061 0.097 1.00 0.00 H new ATOM 1332 N THR A 84 -13.684 -5.949 -1.170 1.00 0.00 N ATOM 1333 CA THR A 84 -12.881 -6.962 -1.839 1.00 0.00 C ATOM 1334 C THR A 84 -13.186 -6.828 -3.367 1.00 0.00 C ATOM 1335 O THR A 84 -14.214 -6.286 -3.750 1.00 0.00 O ATOM 1336 CB THR A 84 -13.397 -8.354 -1.361 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.904 -8.414 0.016 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.274 -9.426 -1.679 1.00 0.00 C ATOM 0 H THR A 84 -14.675 -5.941 -1.413 1.00 0.00 H new ATOM 0 HA THR A 84 -11.817 -6.852 -1.631 1.00 0.00 H new ATOM 0 HB THR A 84 -14.303 -8.583 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.203 -9.326 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.609 -10.411 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.081 -9.444 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.358 -9.162 -1.150 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.250 -7.332 -4.192 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.422 -7.304 -5.662 1.00 0.00 C ATOM 1348 C PHE A 85 -11.846 -8.610 -6.227 1.00 0.00 C ATOM 1349 O PHE A 85 -11.010 -9.195 -5.566 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.695 -6.090 -6.246 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.332 -4.799 -5.789 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.461 -4.286 -6.433 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.810 -4.097 -4.704 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.055 -3.098 -6.001 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.406 -2.917 -4.283 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.529 -2.408 -4.914 1.00 0.00 C ATOM 0 H PHE A 85 -11.379 -7.758 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.476 -7.220 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.648 -6.109 -5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.712 -6.142 -7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.880 -4.815 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.938 -4.473 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.925 -2.714 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.985 -2.383 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.987 -1.493 -4.569 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.269 -9.057 -7.444 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.730 -10.289 -8.040 1.00 0.00 C ATOM 1368 C PRO A 86 -10.305 -10.101 -8.597 1.00 0.00 C ATOM 1369 O PRO A 86 -9.444 -10.950 -8.403 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.664 -10.566 -9.252 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.664 -9.402 -9.351 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.402 -8.482 -8.163 1.00 0.00 C ATOM 0 HA PRO A 86 -11.687 -11.082 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.083 -10.650 -10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.190 -11.511 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.537 -8.864 -10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.689 -9.772 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.177 -7.469 -8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.279 -8.418 -7.519 1.00 0.00 H new ATOM 1380 N THR A 87 -10.101 -8.952 -9.277 1.00 0.00 N ATOM 1381 CA THR A 87 -8.772 -8.668 -9.828 1.00 0.00 C ATOM 1382 C THR A 87 -8.427 -7.277 -9.346 1.00 0.00 C ATOM 1383 O THR A 87 -9.242 -6.550 -8.783 1.00 0.00 O ATOM 1384 CB THR A 87 -8.685 -8.752 -11.377 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.274 -8.459 -11.767 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.737 -7.804 -11.969 1.00 0.00 C ATOM 0 H THR A 87 -10.809 -8.238 -9.449 1.00 0.00 H new ATOM 0 HA THR A 87 -8.069 -9.428 -9.486 1.00 0.00 H new ATOM 0 HB THR A 87 -8.917 -9.740 -11.775 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.188 -8.506 -12.742 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.694 -7.847 -13.057 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.729 -8.106 -11.633 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.536 -6.785 -11.638 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.166 -6.934 -9.658 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.756 -5.634 -9.228 1.00 0.00 C ATOM 1396 C LEU A 88 -7.365 -4.588 -10.113 1.00 0.00 C ATOM 1397 O LEU A 88 -7.525 -3.502 -9.621 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.248 -5.402 -9.371 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.391 -6.090 -8.326 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.974 -5.574 -8.408 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.887 -5.772 -6.928 1.00 0.00 C ATOM 0 H LEU A 88 -6.482 -7.498 -10.163 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.065 -5.570 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.935 -5.744 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.055 -4.330 -9.329 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.440 -7.162 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.362 -6.071 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.569 -5.779 -9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.967 -4.499 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.257 -6.276 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.845 -4.695 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.916 -6.116 -6.820 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.700 -4.877 -11.387 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.254 -3.724 -12.159 1.00 0.00 C ATOM 1415 C GLN A 89 -9.607 -3.240 -11.616 1.00 0.00 C ATOM 1416 O GLN A 89 -9.891 -2.049 -11.641 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.288 -3.891 -13.693 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.570 -5.317 -14.158 1.00 0.00 C ATOM 1419 CD GLN A 89 -10.021 -5.479 -14.643 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.299 -5.436 -15.831 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.921 -5.659 -13.664 1.00 0.00 N ATOM 0 H GLN A 89 -7.617 -5.774 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.516 -2.940 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.051 -3.229 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.331 -3.569 -14.104 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.885 -5.579 -14.964 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.380 -6.011 -13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.617 -5.685 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.909 -5.770 -13.893 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.412 -4.196 -11.105 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.708 -3.789 -10.566 1.00 0.00 C ATOM 1432 C ALA A 90 -11.512 -3.069 -9.219 1.00 0.00 C ATOM 1433 O ALA A 90 -12.361 -2.320 -8.756 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.560 -5.058 -10.309 1.00 0.00 C ATOM 0 H ALA A 90 -10.199 -5.192 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.199 -3.123 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.531 -4.769 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.702 -5.597 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.048 -5.702 -9.594 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.335 -3.345 -8.626 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.959 -2.721 -7.374 1.00 0.00 C ATOM 1442 C LEU A 91 -9.523 -1.275 -7.647 1.00 0.00 C ATOM 1443 O LEU A 91 -9.975 -0.343 -7.001 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.906 -3.623 -6.700 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.896 -2.922 -5.784 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.435 -3.805 -4.614 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.661 -2.423 -6.554 1.00 0.00 C ATOM 0 H LEU A 91 -9.643 -3.993 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.785 -2.635 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.428 -4.381 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.354 -4.146 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.433 -2.066 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.721 -3.254 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.296 -4.083 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.960 -4.706 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.975 -1.934 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.160 -3.269 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.972 -1.713 -7.320 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.737 -1.154 -8.737 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.128 0.106 -9.135 1.00 0.00 C ATOM 1461 C VAL A 92 -9.174 1.082 -9.711 1.00 0.00 C ATOM 1462 O VAL A 92 -9.071 2.278 -9.508 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.989 -0.189 -10.151 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.960 0.903 -10.220 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -6.080 -1.358 -9.805 1.00 0.00 C ATOM 0 H VAL A 92 -8.515 -1.933 -9.357 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.705 0.598 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.582 -0.349 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.193 0.635 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.438 1.835 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.501 1.033 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.323 -1.473 -10.581 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.593 -1.169 -8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.671 -2.271 -9.737 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.178 0.496 -10.413 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.280 1.216 -11.049 1.00 0.00 C ATOM 1477 C GLN A 93 -12.088 1.959 -9.973 1.00 0.00 C ATOM 1478 O GLN A 93 -12.320 3.155 -10.071 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.206 0.311 -11.906 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.397 -0.324 -11.177 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.254 -1.147 -12.142 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.201 -2.368 -12.193 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -15.051 -0.385 -12.900 1.00 0.00 N ATOM 0 H GLN A 93 -10.233 -0.514 -10.548 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.838 1.926 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.589 0.903 -12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.602 -0.488 -12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.036 -0.962 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.005 0.456 -10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.036 0.630 -12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.674 -0.819 -13.581 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.357 1.209 -8.875 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.185 1.785 -7.815 1.00 0.00 C ATOM 1494 C HIS A 94 -12.383 2.888 -7.126 1.00 0.00 C ATOM 1495 O HIS A 94 -12.868 3.995 -6.923 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.558 0.684 -6.803 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.550 1.212 -5.788 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.200 1.871 -4.660 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.953 1.141 -5.839 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.353 2.193 -4.047 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.427 1.765 -4.734 1.00 0.00 N ATOM 0 H HIS A 94 -12.028 0.257 -8.714 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.103 2.202 -8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.985 -0.171 -7.327 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.661 0.330 -6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.543 0.676 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.410 2.732 -3.113 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.406 1.886 -4.474 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.097 2.550 -6.911 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.202 3.519 -6.304 1.00 0.00 C ATOM 1511 C TYR A 95 -9.851 4.652 -7.292 1.00 0.00 C ATOM 1512 O TYR A 95 -9.282 5.651 -6.868 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.932 2.856 -5.760 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.199 2.057 -4.521 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.793 2.608 -3.395 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.851 0.730 -4.494 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.097 1.853 -2.275 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.097 -0.045 -3.390 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.727 0.499 -2.253 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.973 -0.212 -1.085 1.00 0.00 O ATOM 0 H TYR A 95 -10.679 1.649 -7.142 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.731 3.959 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.507 2.206 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.188 3.622 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.026 3.662 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.375 0.288 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.609 2.297 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.804 -1.085 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.762 -1.158 -1.228 1.00 0.00 H new ATOM 1530 N SER A 96 -10.183 4.468 -8.608 1.00 0.00 N ATOM 1531 CA SER A 96 -9.870 5.568 -9.536 1.00 0.00 C ATOM 1532 C SER A 96 -10.956 6.676 -9.492 1.00 0.00 C ATOM 1533 O SER A 96 -10.756 7.729 -10.084 1.00 0.00 O ATOM 1534 CB SER A 96 -9.818 5.124 -11.035 1.00 0.00 C ATOM 1535 OG SER A 96 -8.623 4.244 -11.311 1.00 0.00 O ATOM 0 H SER A 96 -10.627 3.642 -9.010 1.00 0.00 H new ATOM 0 HA SER A 96 -8.894 5.920 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.732 4.587 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.778 6.005 -11.675 1.00 0.00 H new ATOM 0 HG SER A 96 -8.703 3.413 -10.797 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.075 6.421 -8.767 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.102 7.475 -8.714 1.00 0.00 C ATOM 1543 C LYS A 97 -13.182 8.172 -7.335 1.00 0.00 C ATOM 1544 O LYS A 97 -13.565 9.337 -7.249 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.475 6.835 -8.994 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.769 6.713 -10.494 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.964 5.592 -11.144 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.677 4.976 -12.348 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.081 3.701 -12.732 1.00 0.00 N ATOM 0 H LYS A 97 -12.276 5.564 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.831 8.226 -9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.511 5.846 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.254 7.433 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.833 6.528 -10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.539 7.658 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.996 5.981 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.769 4.815 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.731 4.829 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.633 5.667 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.542 3.821 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.443 3.375 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.832 2.997 -12.879 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.761 7.435 -6.286 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.785 7.959 -4.951 1.00 0.00 C ATOM 1565 C LYS A 98 -11.789 7.172 -4.104 1.00 0.00 C ATOM 1566 O LYS A 98 -11.576 5.990 -4.313 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.201 7.812 -4.410 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.319 8.602 -3.159 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.122 8.093 -1.795 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.407 9.087 -0.857 1.00 0.00 C ATOM 1571 NZ LYS A 98 -14.112 10.338 -0.608 1.00 0.00 N ATOM 0 H LYS A 98 -12.406 6.482 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.505 9.012 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.925 8.161 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.424 6.763 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.620 9.431 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.323 9.027 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.092 7.839 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.543 7.171 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.231 8.594 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.430 9.320 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.548 10.933 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.258 10.839 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.034 10.136 -0.171 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.227 7.889 -3.108 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.260 7.310 -2.184 1.00 0.00 C ATOM 1587 C GLY A 99 -10.886 6.127 -1.462 1.00 0.00 C ATOM 1588 O GLY A 99 -10.501 4.996 -1.697 1.00 0.00 O ATOM 0 H GLY A 99 -11.435 8.872 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.371 6.988 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.938 8.060 -1.462 1.00 0.00 H new ATOM 1592 N ASP A 100 -11.786 6.452 -0.517 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.504 5.434 0.220 1.00 0.00 C ATOM 1594 C ASP A 100 -11.534 4.456 0.937 1.00 0.00 C ATOM 1595 O ASP A 100 -11.344 3.289 0.606 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.434 4.788 -0.783 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.522 3.870 -0.068 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -14.245 3.087 0.868 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -15.692 4.058 -0.386 1.00 0.00 O ATOM 0 H ASP A 100 -12.022 7.410 -0.257 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.090 5.843 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.935 5.561 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.854 4.187 -1.483 1.00 0.00 H new ATOM 1604 N GLY A 101 -10.889 5.086 1.929 1.00 0.00 N ATOM 1605 CA GLY A 101 -9.913 4.352 2.728 1.00 0.00 C ATOM 1606 C GLY A 101 -8.480 4.798 2.442 1.00 0.00 C ATOM 1607 O GLY A 101 -7.647 4.818 3.344 1.00 0.00 O ATOM 0 H GLY A 101 -11.021 6.064 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.132 4.495 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.007 3.285 2.524 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.233 5.137 1.147 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.871 5.569 0.819 1.00 0.00 C ATOM 1613 C LEU A 102 -6.708 7.104 0.853 1.00 0.00 C ATOM 1614 O LEU A 102 -5.596 7.607 0.748 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.491 5.121 -0.611 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.043 3.745 -1.036 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.586 3.403 -2.452 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.632 2.615 -0.067 1.00 0.00 C ATOM 0 H LEU A 102 -8.904 5.120 0.379 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.229 5.114 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.848 5.871 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.404 5.099 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.130 3.820 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.984 2.429 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.951 4.161 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.497 3.374 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.048 1.669 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.545 2.543 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.013 2.834 0.930 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.848 7.801 1.088 1.00 0.00 N ATOM 1631 CA CYS A 103 -7.905 9.266 1.145 1.00 0.00 C ATOM 1632 C CYS A 103 -7.349 9.989 -0.119 1.00 0.00 C ATOM 1633 O CYS A 103 -7.408 11.211 -0.183 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.219 9.776 2.427 1.00 0.00 C ATOM 1635 SG CYS A 103 -5.429 10.025 2.298 1.00 0.00 S ATOM 0 H CYS A 103 -8.751 7.352 1.242 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.964 9.523 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.681 10.720 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.414 9.066 3.231 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.976 9.389 1.258 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.827 9.209 -1.105 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.246 9.798 -2.296 1.00 0.00 C ATOM 1643 C GLN A 104 -6.385 8.809 -3.430 1.00 0.00 C ATOM 1644 O GLN A 104 -5.589 7.898 -3.633 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.752 10.108 -2.062 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.489 11.327 -1.166 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.974 12.612 -1.852 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.202 12.659 -3.054 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.130 13.642 -1.014 1.00 0.00 N ATOM 0 H GLN A 104 -6.806 8.190 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.760 10.728 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.278 9.234 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.272 10.271 -3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.001 11.202 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.424 11.403 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.920 13.529 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.459 14.541 -1.366 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.453 9.094 -4.173 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.782 8.307 -5.331 1.00 0.00 C ATOM 1660 C LYS A 105 -6.710 8.504 -6.412 1.00 0.00 C ATOM 1661 O LYS A 105 -5.809 9.329 -6.320 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.137 8.775 -5.794 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.105 10.070 -6.601 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.464 10.744 -6.503 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.540 11.613 -5.247 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.424 12.760 -5.424 1.00 0.00 N ATOM 0 H LYS A 105 -8.095 9.864 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.812 7.241 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.592 7.992 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.778 8.917 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.327 10.732 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.863 9.859 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.638 11.357 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.250 9.989 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.893 11.010 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.541 11.963 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.445 13.321 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.074 13.351 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.384 12.427 -5.645 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.914 7.711 -7.457 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.989 7.697 -8.578 1.00 0.00 C ATOM 1682 C LEU A 106 -6.219 8.877 -9.517 1.00 0.00 C ATOM 1683 O LEU A 106 -7.327 9.131 -9.973 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.181 6.422 -9.418 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.277 5.161 -8.553 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.038 3.886 -9.354 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.271 5.191 -7.415 1.00 0.00 C ATOM 0 H LEU A 106 -7.706 7.075 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.988 7.747 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.086 6.518 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.348 6.320 -10.113 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.294 5.154 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.117 3.022 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.784 3.808 -10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.042 3.915 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.366 4.282 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.262 5.254 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.462 6.059 -6.783 1.00 0.00 H new ATOM 1699 N THR A 107 -5.103 9.574 -9.763 1.00 0.00 N ATOM 1700 CA THR A 107 -5.151 10.721 -10.657 1.00 0.00 C ATOM 1701 C THR A 107 -4.343 10.430 -11.959 1.00 0.00 C ATOM 1702 O THR A 107 -4.891 10.423 -13.053 1.00 0.00 O ATOM 1703 CB THR A 107 -4.627 11.970 -9.940 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.234 11.570 -9.715 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.412 12.136 -8.603 1.00 0.00 C ATOM 0 H THR A 107 -4.186 9.368 -9.367 1.00 0.00 H new ATOM 0 HA THR A 107 -6.186 10.906 -10.944 1.00 0.00 H new ATOM 0 HB THR A 107 -4.728 12.920 -10.465 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.757 12.291 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.053 13.021 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.475 12.247 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.258 11.256 -7.979 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.026 10.186 -11.768 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.079 9.929 -12.833 1.00 0.00 C ATOM 1715 C LEU A 108 -1.123 8.822 -12.405 1.00 0.00 C ATOM 1716 O LEU A 108 -0.192 9.089 -11.663 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.306 11.165 -13.234 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.152 12.152 -14.056 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.079 13.584 -13.518 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -1.715 12.097 -15.523 1.00 0.00 C ATOM 0 H LEU A 108 -2.601 10.166 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.645 9.615 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.939 11.666 -12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.432 10.870 -13.815 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.195 11.848 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.695 14.237 -14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.445 13.606 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.046 13.930 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.313 12.796 -16.107 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.662 12.369 -15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.858 11.087 -15.908 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.384 7.573 -12.864 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.561 6.418 -12.520 1.00 0.00 C ATOM 1734 C PRO A 109 0.887 6.630 -12.969 1.00 0.00 C ATOM 1735 O PRO A 109 1.285 6.307 -14.078 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.146 5.239 -13.287 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.360 5.769 -14.030 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.427 7.292 -13.813 1.00 0.00 C ATOM 0 HA PRO A 109 -0.559 6.255 -11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.415 4.827 -13.982 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.428 4.435 -12.607 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.286 5.539 -15.093 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.269 5.292 -13.663 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.269 7.832 -14.746 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.402 7.595 -13.431 1.00 0.00 H new ATOM 1746 N CYS A 110 1.644 7.113 -11.987 1.00 0.00 N ATOM 1747 CA CYS A 110 3.066 7.432 -12.156 1.00 0.00 C ATOM 1748 C CYS A 110 3.349 8.182 -13.489 1.00 0.00 C ATOM 1749 O CYS A 110 2.455 8.745 -14.112 1.00 0.00 O ATOM 1750 CB CYS A 110 3.879 6.140 -12.017 1.00 0.00 C ATOM 1751 SG CYS A 110 5.326 6.297 -10.955 1.00 0.00 S ATOM 0 H CYS A 110 1.291 7.296 -11.048 1.00 0.00 H new ATOM 0 HA CYS A 110 3.374 8.126 -11.374 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.233 5.357 -11.620 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.201 5.817 -13.007 1.00 0.00 H new ATOM 0 HG CYS A 110 6.162 5.337 -11.217 1.00 0.00 H new ATOM 1757 N VAL A 111 4.648 8.216 -13.852 1.00 0.00 N ATOM 1758 CA VAL A 111 5.030 8.888 -15.088 1.00 0.00 C ATOM 1759 C VAL A 111 6.428 8.400 -15.464 1.00 0.00 C ATOM 1760 O VAL A 111 7.374 8.536 -14.699 1.00 0.00 O ATOM 1761 CB VAL A 111 4.986 10.424 -14.919 1.00 0.00 C ATOM 1762 CG1 VAL A 111 6.032 10.954 -13.923 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.148 11.104 -16.279 1.00 0.00 C ATOM 0 H VAL A 111 5.415 7.801 -13.324 1.00 0.00 H new ATOM 0 HA VAL A 111 4.328 8.648 -15.887 1.00 0.00 H new ATOM 0 HB VAL A 111 4.011 10.669 -14.498 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.948 12.038 -13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.859 10.510 -12.943 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.031 10.690 -14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.116 12.186 -16.151 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.105 10.819 -16.717 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.339 10.793 -16.940 1.00 0.00 H new ATOM 1773 N ASN A 112 6.506 7.817 -16.679 1.00 0.00 N ATOM 1774 CA ASN A 112 7.792 7.308 -17.155 1.00 0.00 C ATOM 1775 C ASN A 112 8.856 8.439 -17.125 1.00 0.00 C ATOM 1776 O ASN A 112 8.552 9.624 -17.205 1.00 0.00 O ATOM 1777 CB ASN A 112 7.617 6.801 -18.594 1.00 0.00 C ATOM 1778 CG ASN A 112 8.911 6.141 -19.094 1.00 0.00 C ATOM 1779 OD1 ASN A 112 9.172 4.974 -18.843 1.00 0.00 O ATOM 1780 ND2 ASN A 112 9.716 6.976 -19.772 1.00 0.00 N ATOM 0 H ASN A 112 5.722 7.694 -17.320 1.00 0.00 H new ATOM 0 HA ASN A 112 8.127 6.496 -16.510 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.797 6.084 -18.636 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.349 7.631 -19.248 1.00 0.00 H new ATOM 0 HD21 ASN A 112 10.618 6.647 -20.117 1.00 0.00 H new ATOM 0 HD22 ASN A 112 9.426 7.939 -19.941 1.00 0.00 H new ATOM 1787 N LEU A 113 10.111 7.977 -16.999 1.00 0.00 N ATOM 1788 CA LEU A 113 11.214 8.916 -16.939 1.00 0.00 C ATOM 1789 C LEU A 113 12.500 8.263 -17.426 1.00 0.00 C ATOM 1790 O LEU A 113 13.065 8.673 -18.430 1.00 0.00 O ATOM 1791 CB LEU A 113 11.354 9.422 -15.498 1.00 0.00 C ATOM 1792 CG LEU A 113 12.316 10.614 -15.370 1.00 0.00 C ATOM 1793 CD1 LEU A 113 12.061 11.396 -14.077 1.00 0.00 C ATOM 1794 CD2 LEU A 113 13.782 10.165 -15.445 1.00 0.00 C ATOM 0 H LEU A 113 10.370 6.992 -16.939 1.00 0.00 H new ATOM 0 HA LEU A 113 11.015 9.763 -17.595 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.372 9.713 -15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.707 8.608 -14.866 1.00 0.00 H new ATOM 0 HG LEU A 113 12.123 11.276 -16.214 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.757 12.233 -14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.038 11.773 -14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.206 10.739 -13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.434 11.034 -15.351 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.990 9.466 -14.635 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.964 9.676 -16.402 1.00 0.00 H new ATOM 1806 N ALA A 114 12.917 7.237 -16.648 1.00 0.00 N ATOM 1807 CA ALA A 114 14.148 6.503 -16.941 1.00 0.00 C ATOM 1808 C ALA A 114 15.399 7.377 -16.650 1.00 0.00 C ATOM 1809 O ALA A 114 16.135 7.066 -15.715 1.00 0.00 O ATOM 1810 CB ALA A 114 14.138 5.975 -18.384 1.00 0.00 C ATOM 1811 OXT ALA A 114 15.621 8.361 -17.357 1.00 0.00 O ATOM 0 H ALA A 114 12.417 6.909 -15.822 1.00 0.00 H new ATOM 0 HA ALA A 114 14.199 5.638 -16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.063 5.433 -18.579 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.289 5.305 -18.521 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.055 6.812 -19.077 1.00 0.00 H new TER 1817 ALA A 114