USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=31 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 67 TYR OH : rot -107:sc= 0.753 USER MOD Set 1.2: A 103 CYS SG : rot -50:sc= -0.797 USER MOD Set 2.1: A 20 SER OG : rot 147:sc= 0 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.198) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0638 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 103:sc= 0.228 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.0377 (180deg=-0.456) USER MOD Single : A 33 ASN : amide:sc= -1.04 K(o=-1,f=-8.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-16!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -167:sc= 0.0168 (180deg=-0.237) USER MOD Single : A 58 THR OG1 : rot 170:sc= 0 USER MOD Single : A 59 THR OG1 : rot -47:sc= 0.0996 USER MOD Single : A 60 GLN : amide:sc= -0.0851 K(o=-0.085,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= 0.228 K(o=0.23,f=-2.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 47:sc= 0.516 USER MOD Single : A 74 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.3) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 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= -0.281 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.0818 F(o=-2.5!,f=-0.082) USER MOD Single : A 93 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.9!) USER MOD Single : A 94 HIS : no HD1:sc=-0.00879 X(o=-0.0088,f=-0.34) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0877 USER MOD Single : A 96 SER OG : rot 70:sc= 0.501 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0285) USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= -0.31 (180deg=-0.97) USER MOD Single : A 104 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.265 USER MOD Single : A 112 ASN : amide:sc= -1.69 X(o=-1.7,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.618 2.966 -36.930 1.00 0.00 N ATOM 2 CA GLY A 1 -5.655 2.302 -37.804 1.00 0.00 C ATOM 3 C GLY A 1 -6.189 2.184 -39.228 1.00 0.00 C ATOM 4 O GLY A 1 -7.395 2.177 -39.436 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.338 3.959 -36.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.563 2.928 -37.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.640 2.485 -36.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.719 2.861 -37.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.431 1.309 -37.414 1.00 0.00 H new ATOM 10 N SER A 2 -5.236 2.113 -40.190 1.00 0.00 N ATOM 11 CA SER A 2 -5.642 2.017 -41.595 1.00 0.00 C ATOM 12 C SER A 2 -6.002 0.565 -41.939 1.00 0.00 C ATOM 13 O SER A 2 -7.145 0.238 -42.229 1.00 0.00 O ATOM 14 CB SER A 2 -4.504 2.503 -42.550 1.00 0.00 C ATOM 15 OG SER A 2 -4.740 2.575 -44.017 1.00 0.00 O ATOM 0 H SER A 2 -4.230 2.120 -40.022 1.00 0.00 H new ATOM 0 HA SER A 2 -6.511 2.660 -41.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.209 3.499 -42.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.647 1.848 -42.392 1.00 0.00 H new ATOM 0 HG SER A 2 -3.930 2.899 -44.463 1.00 0.00 H new ATOM 21 N VAL A 3 -4.946 -0.277 -41.877 1.00 0.00 N ATOM 22 CA VAL A 3 -5.093 -1.698 -42.178 1.00 0.00 C ATOM 23 C VAL A 3 -5.796 -2.435 -41.028 1.00 0.00 C ATOM 24 O VAL A 3 -6.775 -3.145 -41.222 1.00 0.00 O ATOM 25 CB VAL A 3 -3.720 -2.329 -42.504 1.00 0.00 C ATOM 26 CG1 VAL A 3 -3.133 -1.751 -43.801 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.699 -2.230 -41.349 1.00 0.00 C ATOM 0 H VAL A 3 -4.000 0.008 -41.624 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.724 -1.799 -43.061 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.914 -3.392 -42.647 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.168 -2.215 -44.002 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.812 -1.953 -44.629 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.002 -0.674 -43.693 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.760 -2.694 -41.652 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.524 -1.182 -41.107 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.091 -2.744 -40.472 1.00 0.00 H new ATOM 37 N ALA A 4 -5.235 -2.208 -39.824 1.00 0.00 N ATOM 38 CA ALA A 4 -5.775 -2.841 -38.635 1.00 0.00 C ATOM 39 C ALA A 4 -5.415 -1.968 -37.419 1.00 0.00 C ATOM 40 O ALA A 4 -4.488 -1.167 -37.480 1.00 0.00 O ATOM 41 CB ALA A 4 -5.180 -4.258 -38.500 1.00 0.00 C ATOM 0 H ALA A 4 -4.429 -1.604 -39.664 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.859 -2.934 -38.698 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.582 -4.738 -37.608 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.441 -4.848 -39.379 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.095 -4.191 -38.418 1.00 0.00 H new ATOM 47 N PRO A 5 -6.194 -2.148 -36.311 1.00 0.00 N ATOM 48 CA PRO A 5 -5.962 -1.415 -35.065 1.00 0.00 C ATOM 49 C PRO A 5 -4.557 -1.670 -34.476 1.00 0.00 C ATOM 50 O PRO A 5 -3.740 -2.386 -35.042 1.00 0.00 O ATOM 51 CB PRO A 5 -7.069 -1.892 -34.103 1.00 0.00 C ATOM 52 CG PRO A 5 -7.939 -2.899 -34.863 1.00 0.00 C ATOM 53 CD PRO A 5 -7.364 -3.023 -36.270 1.00 0.00 C ATOM 0 HA PRO A 5 -5.999 -0.339 -35.235 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.634 -2.354 -33.217 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.669 -1.049 -33.761 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.936 -3.866 -34.360 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.975 -2.562 -34.899 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.087 -4.054 -36.488 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.099 -2.726 -37.018 1.00 0.00 H new ATOM 61 N VAL A 6 -4.341 -1.046 -33.300 1.00 0.00 N ATOM 62 CA VAL A 6 -3.053 -1.175 -32.618 1.00 0.00 C ATOM 63 C VAL A 6 -3.260 -1.314 -31.105 1.00 0.00 C ATOM 64 O VAL A 6 -2.840 -2.288 -30.491 1.00 0.00 O ATOM 65 CB VAL A 6 -2.140 0.016 -32.986 1.00 0.00 C ATOM 66 CG1 VAL A 6 -2.765 1.399 -32.697 1.00 0.00 C ATOM 67 CG2 VAL A 6 -0.746 -0.128 -32.340 1.00 0.00 C ATOM 0 H VAL A 6 -5.027 -0.464 -32.819 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.551 -2.083 -32.952 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.022 -0.024 -34.069 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.063 2.182 -32.982 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.685 1.510 -33.271 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.989 1.482 -31.633 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.127 0.725 -32.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.850 -0.164 -31.256 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.276 -1.047 -32.690 1.00 0.00 H new ATOM 77 N GLU A 7 -3.923 -0.285 -30.547 1.00 0.00 N ATOM 78 CA GLU A 7 -4.202 -0.263 -29.118 1.00 0.00 C ATOM 79 C GLU A 7 -5.230 -1.336 -28.747 1.00 0.00 C ATOM 80 O GLU A 7 -5.905 -1.900 -29.601 1.00 0.00 O ATOM 81 CB GLU A 7 -4.672 1.142 -28.711 1.00 0.00 C ATOM 82 CG GLU A 7 -5.927 1.641 -29.459 1.00 0.00 C ATOM 83 CD GLU A 7 -7.230 0.974 -28.977 1.00 0.00 C ATOM 84 OE1 GLU A 7 -7.410 0.821 -27.767 1.00 0.00 O ATOM 85 OE2 GLU A 7 -8.049 0.610 -29.820 1.00 0.00 O ATOM 0 H GLU A 7 -4.267 0.525 -31.062 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.290 -0.494 -28.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.877 1.146 -27.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.859 1.847 -28.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.011 2.720 -29.333 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.804 1.453 -30.526 1.00 0.00 H new ATOM 92 N THR A 8 -5.291 -1.582 -27.427 1.00 0.00 N ATOM 93 CA THR A 8 -6.224 -2.596 -26.962 1.00 0.00 C ATOM 94 C THR A 8 -6.544 -2.436 -25.476 1.00 0.00 C ATOM 95 O THR A 8 -7.684 -2.237 -25.070 1.00 0.00 O ATOM 96 CB THR A 8 -5.596 -4.012 -27.253 1.00 0.00 C ATOM 97 OG1 THR A 8 -4.957 -4.299 -28.550 1.00 0.00 O ATOM 98 CG2 THR A 8 -6.684 -5.073 -27.001 1.00 0.00 C ATOM 0 H THR A 8 -4.737 -1.118 -26.707 1.00 0.00 H new ATOM 0 HA THR A 8 -7.169 -2.486 -27.494 1.00 0.00 H new ATOM 0 HB THR A 8 -4.742 -4.031 -26.576 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.623 -5.220 -28.554 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.277 -6.065 -27.195 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.017 -5.014 -25.965 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.530 -4.892 -27.665 1.00 0.00 H new ATOM 106 N LEU A 9 -5.452 -2.542 -24.702 1.00 0.00 N ATOM 107 CA LEU A 9 -5.587 -2.442 -23.264 1.00 0.00 C ATOM 108 C LEU A 9 -4.203 -2.209 -22.660 1.00 0.00 C ATOM 109 O LEU A 9 -3.628 -3.074 -22.010 1.00 0.00 O ATOM 110 CB LEU A 9 -6.205 -3.744 -22.716 1.00 0.00 C ATOM 111 CG LEU A 9 -6.783 -3.556 -21.308 1.00 0.00 C ATOM 112 CD1 LEU A 9 -8.157 -2.864 -21.363 1.00 0.00 C ATOM 113 CD2 LEU A 9 -6.864 -4.898 -20.569 1.00 0.00 C ATOM 0 H LEU A 9 -4.503 -2.692 -25.044 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.240 -1.611 -22.999 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.992 -4.083 -23.389 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.445 -4.525 -22.695 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.109 -2.907 -20.749 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.544 -2.743 -20.351 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.053 -1.885 -21.831 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.848 -3.473 -21.946 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.277 -4.740 -19.573 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.507 -5.581 -21.124 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.866 -5.328 -20.484 1.00 0.00 H new ATOM 125 N GLU A 10 -3.707 -0.984 -22.922 1.00 0.00 N ATOM 126 CA GLU A 10 -2.402 -0.622 -22.390 1.00 0.00 C ATOM 127 C GLU A 10 -2.522 -0.435 -20.867 1.00 0.00 C ATOM 128 O GLU A 10 -3.609 -0.335 -20.305 1.00 0.00 O ATOM 129 CB GLU A 10 -1.883 0.658 -23.063 1.00 0.00 C ATOM 130 CG GLU A 10 -2.829 1.864 -22.900 1.00 0.00 C ATOM 131 CD GLU A 10 -2.084 3.209 -22.985 1.00 0.00 C ATOM 132 OE1 GLU A 10 -1.197 3.350 -23.825 1.00 0.00 O ATOM 133 OE2 GLU A 10 -2.405 4.106 -22.206 1.00 0.00 O ATOM 0 H GLU A 10 -4.174 -0.265 -23.475 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.685 -1.416 -22.599 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.909 0.911 -22.643 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.732 0.465 -24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.597 1.827 -23.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.340 1.795 -21.940 1.00 0.00 H new ATOM 140 N VAL A 11 -1.331 -0.403 -20.246 1.00 0.00 N ATOM 141 CA VAL A 11 -1.242 -0.233 -18.808 1.00 0.00 C ATOM 142 C VAL A 11 0.015 0.591 -18.503 1.00 0.00 C ATOM 143 O VAL A 11 0.005 1.804 -18.664 1.00 0.00 O ATOM 144 CB VAL A 11 -1.311 -1.611 -18.115 1.00 0.00 C ATOM 145 CG1 VAL A 11 -0.440 -2.686 -18.805 1.00 0.00 C ATOM 146 CG2 VAL A 11 -1.027 -1.509 -16.605 1.00 0.00 C ATOM 0 H VAL A 11 -0.433 -0.493 -20.721 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.085 0.325 -18.402 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.340 -1.953 -18.226 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.534 -3.630 -18.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.774 -2.819 -19.834 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.603 -2.368 -18.800 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.086 -2.500 -16.156 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.029 -1.098 -16.449 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.765 -0.856 -16.139 1.00 0.00 H new ATOM 156 N GLU A 12 1.075 -0.135 -18.072 1.00 0.00 N ATOM 157 CA GLU A 12 2.343 0.494 -17.716 1.00 0.00 C ATOM 158 C GLU A 12 2.158 1.435 -16.532 1.00 0.00 C ATOM 159 O GLU A 12 1.181 2.158 -16.406 1.00 0.00 O ATOM 160 CB GLU A 12 2.954 1.190 -18.927 1.00 0.00 C ATOM 161 CG GLU A 12 2.959 0.301 -20.181 1.00 0.00 C ATOM 162 CD GLU A 12 3.616 1.043 -21.356 1.00 0.00 C ATOM 163 OE1 GLU A 12 4.777 1.434 -21.233 1.00 0.00 O ATOM 164 OE2 GLU A 12 2.958 1.236 -22.377 1.00 0.00 O ATOM 0 H GLU A 12 1.065 -1.150 -17.967 1.00 0.00 H new ATOM 0 HA GLU A 12 3.049 -0.276 -17.403 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.397 2.103 -19.136 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.976 1.487 -18.693 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.499 -0.624 -19.978 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.938 0.023 -20.442 1.00 0.00 H new ATOM 171 N LYS A 13 3.144 1.299 -15.638 1.00 0.00 N ATOM 172 CA LYS A 13 3.236 2.113 -14.467 1.00 0.00 C ATOM 173 C LYS A 13 2.330 1.697 -13.359 1.00 0.00 C ATOM 174 O LYS A 13 2.790 1.672 -12.227 1.00 0.00 O ATOM 175 CB LYS A 13 3.130 3.588 -14.721 1.00 0.00 C ATOM 176 CG LYS A 13 4.342 4.131 -15.399 1.00 0.00 C ATOM 177 CD LYS A 13 5.722 3.534 -15.179 1.00 0.00 C ATOM 178 CE LYS A 13 6.806 4.474 -15.745 1.00 0.00 C ATOM 179 NZ LYS A 13 7.982 3.739 -16.191 1.00 0.00 N ATOM 0 H LYS A 13 3.893 0.612 -15.726 1.00 0.00 H new ATOM 0 HA LYS A 13 4.256 1.929 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.252 3.787 -15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.981 4.108 -13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.148 4.089 -16.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.408 5.185 -15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.891 3.372 -14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.786 2.560 -15.664 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.395 5.042 -16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.096 5.195 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.687 4.406 -16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.390 3.217 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.710 3.069 -16.938 1.00 0.00 H new ATOM 193 N TRP A 14 1.091 1.282 -13.680 1.00 0.00 N ATOM 194 CA TRP A 14 0.267 0.980 -12.527 1.00 0.00 C ATOM 195 C TRP A 14 0.553 -0.479 -12.152 1.00 0.00 C ATOM 196 O TRP A 14 0.848 -0.801 -11.007 1.00 0.00 O ATOM 197 CB TRP A 14 -1.202 1.380 -12.767 1.00 0.00 C ATOM 198 CG TRP A 14 -2.175 0.405 -13.403 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.836 0.540 -14.630 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.748 -0.743 -12.788 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.762 -0.449 -14.771 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.754 -1.261 -13.638 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.494 -1.327 -11.582 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.449 -2.374 -13.230 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.203 -2.442 -11.196 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.177 -2.956 -12.018 1.00 0.00 C ATOM 0 H TRP A 14 0.687 1.162 -14.609 1.00 0.00 H new ATOM 0 HA TRP A 14 0.512 1.580 -11.650 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.619 1.665 -11.801 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.193 2.276 -13.388 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.640 1.314 -15.357 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.368 -0.576 -15.581 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.737 -0.915 -10.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.214 -2.793 -13.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.994 -2.913 -10.247 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.734 -3.827 -11.707 1.00 0.00 H new ATOM 217 N PHE A 15 0.433 -1.344 -13.195 1.00 0.00 N ATOM 218 CA PHE A 15 0.710 -2.769 -13.016 1.00 0.00 C ATOM 219 C PHE A 15 2.194 -3.109 -13.288 1.00 0.00 C ATOM 220 O PHE A 15 2.541 -3.513 -14.388 1.00 0.00 O ATOM 221 CB PHE A 15 -0.258 -3.637 -13.832 1.00 0.00 C ATOM 222 CG PHE A 15 -0.239 -5.073 -13.376 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.322 -5.397 -12.021 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.129 -6.102 -14.313 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.279 -6.728 -11.631 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.095 -7.433 -13.915 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.171 -7.745 -12.568 1.00 0.00 C ATOM 0 H PHE A 15 0.153 -1.076 -14.139 1.00 0.00 H new ATOM 0 HA PHE A 15 0.534 -3.008 -11.967 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.269 -3.239 -13.740 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.010 -3.587 -14.887 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.419 -4.617 -11.281 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.069 -5.860 -15.364 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.330 -6.976 -10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.010 -8.219 -14.651 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.146 -8.776 -12.248 1.00 0.00 H new ATOM 237 N PHE A 16 3.041 -2.950 -12.247 1.00 0.00 N ATOM 238 CA PHE A 16 4.475 -3.282 -12.373 1.00 0.00 C ATOM 239 C PHE A 16 4.675 -4.685 -11.772 1.00 0.00 C ATOM 240 O PHE A 16 3.820 -5.194 -11.057 1.00 0.00 O ATOM 241 CB PHE A 16 5.334 -2.228 -11.612 1.00 0.00 C ATOM 242 CG PHE A 16 6.011 -1.195 -12.492 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.485 -0.829 -13.725 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.191 -0.579 -12.075 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.120 0.103 -14.523 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.836 0.355 -12.889 1.00 0.00 C ATOM 247 CZ PHE A 16 7.286 0.713 -14.113 1.00 0.00 C ATOM 0 H PHE A 16 2.764 -2.601 -11.329 1.00 0.00 H new ATOM 0 HA PHE A 16 4.788 -3.271 -13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.696 -1.711 -10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.099 -2.751 -11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.565 -1.281 -14.065 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.611 -0.827 -11.111 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.696 0.358 -15.483 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.765 0.800 -12.566 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.764 1.457 -14.733 1.00 0.00 H new ATOM 257 N ARG A 17 5.866 -5.258 -12.060 1.00 0.00 N ATOM 258 CA ARG A 17 6.154 -6.601 -11.545 1.00 0.00 C ATOM 259 C ARG A 17 6.603 -6.454 -10.088 1.00 0.00 C ATOM 260 O ARG A 17 5.795 -6.046 -9.272 1.00 0.00 O ATOM 261 CB ARG A 17 7.237 -7.275 -12.407 1.00 0.00 C ATOM 262 CG ARG A 17 6.631 -8.057 -13.559 1.00 0.00 C ATOM 263 CD ARG A 17 7.709 -8.802 -14.347 1.00 0.00 C ATOM 264 NE ARG A 17 7.273 -9.053 -15.720 1.00 0.00 N ATOM 265 CZ ARG A 17 7.929 -9.907 -16.534 1.00 0.00 C ATOM 266 NH1 ARG A 17 8.991 -10.573 -16.099 1.00 0.00 N ATOM 267 NH2 ARG A 17 7.518 -10.082 -17.783 1.00 0.00 N ATOM 0 H ARG A 17 6.605 -4.831 -12.618 1.00 0.00 H new ATOM 0 HA ARG A 17 5.269 -7.236 -11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.915 -6.517 -12.799 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.832 -7.944 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.900 -8.769 -13.175 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.096 -7.377 -14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.629 -8.217 -14.355 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.936 -9.748 -13.855 1.00 0.00 H new ATOM 0 HE ARG A 17 6.448 -8.568 -16.073 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.318 -10.442 -15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.480 -11.216 -16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.706 -9.571 -18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.014 -10.727 -18.397 1.00 0.00 H new ATOM 281 N THR A 18 7.891 -6.719 -9.794 1.00 0.00 N ATOM 282 CA THR A 18 8.346 -6.602 -8.419 1.00 0.00 C ATOM 283 C THR A 18 9.638 -5.798 -8.392 1.00 0.00 C ATOM 284 O THR A 18 10.743 -6.309 -8.267 1.00 0.00 O ATOM 285 CB THR A 18 8.540 -7.982 -7.704 1.00 0.00 C ATOM 286 OG1 THR A 18 9.455 -8.114 -6.552 1.00 0.00 O ATOM 287 CG2 THR A 18 8.859 -9.102 -8.718 1.00 0.00 C ATOM 0 H THR A 18 8.601 -7.004 -10.469 1.00 0.00 H new ATOM 0 HA THR A 18 7.564 -6.088 -7.859 1.00 0.00 H new ATOM 0 HB THR A 18 7.559 -8.075 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.934 -8.148 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.988 -10.046 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.038 -9.194 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.777 -8.858 -9.253 1.00 0.00 H new ATOM 295 N ILE A 19 9.379 -4.483 -8.587 1.00 0.00 N ATOM 296 CA ILE A 19 10.446 -3.497 -8.517 1.00 0.00 C ATOM 297 C ILE A 19 10.805 -3.394 -7.037 1.00 0.00 C ATOM 298 O ILE A 19 10.017 -3.793 -6.187 1.00 0.00 O ATOM 299 CB ILE A 19 9.974 -2.128 -9.039 1.00 0.00 C ATOM 300 CG1 ILE A 19 11.145 -1.269 -9.512 1.00 0.00 C ATOM 301 CG2 ILE A 19 9.036 -1.376 -8.088 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.687 0.109 -10.004 1.00 0.00 C ATOM 0 H ILE A 19 8.455 -4.101 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 19 11.296 -3.792 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 19 9.356 -2.347 -9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.856 -1.144 -8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.671 -1.784 -10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.753 -0.423 -8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.142 -1.974 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.545 -1.196 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.553 0.685 -10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.997 -0.014 -10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.185 0.637 -9.193 1.00 0.00 H new ATOM 314 N SER A 20 12.014 -2.876 -6.746 1.00 0.00 N ATOM 315 CA SER A 20 12.339 -2.764 -5.327 1.00 0.00 C ATOM 316 C SER A 20 11.364 -1.778 -4.668 1.00 0.00 C ATOM 317 O SER A 20 10.769 -0.912 -5.290 1.00 0.00 O ATOM 318 CB SER A 20 13.817 -2.277 -5.121 1.00 0.00 C ATOM 319 OG SER A 20 14.580 -2.448 -3.852 1.00 0.00 O ATOM 0 H SER A 20 12.719 -2.557 -7.411 1.00 0.00 H new ATOM 0 HA SER A 20 12.245 -3.747 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.408 -2.760 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.819 -1.208 -5.336 1.00 0.00 H new ATOM 0 HG SER A 20 15.529 -2.583 -4.056 1.00 0.00 H new ATOM 325 N ARG A 21 11.322 -1.914 -3.344 1.00 0.00 N ATOM 326 CA ARG A 21 10.452 -1.078 -2.531 1.00 0.00 C ATOM 327 C ARG A 21 10.817 0.398 -2.738 1.00 0.00 C ATOM 328 O ARG A 21 10.009 1.221 -3.141 1.00 0.00 O ATOM 329 CB ARG A 21 10.631 -1.482 -1.060 1.00 0.00 C ATOM 330 CG ARG A 21 9.801 -0.613 -0.099 1.00 0.00 C ATOM 331 CD ARG A 21 10.280 -0.718 1.353 1.00 0.00 C ATOM 332 NE ARG A 21 9.482 0.138 2.225 1.00 0.00 N ATOM 333 CZ ARG A 21 9.610 1.484 2.239 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.473 2.099 1.442 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.863 2.207 3.061 1.00 0.00 N ATOM 0 H ARG A 21 11.876 -2.590 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 21 9.410 -1.214 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.345 -2.527 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.685 -1.407 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.852 0.427 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.755 -0.913 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.211 -1.752 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.330 -0.431 1.416 1.00 0.00 H new ATOM 0 HE ARG A 21 8.801 -0.296 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.055 1.556 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.555 3.115 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.195 1.748 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.956 3.223 3.075 1.00 0.00 H new ATOM 349 N LYS A 22 12.102 0.658 -2.433 1.00 0.00 N ATOM 350 CA LYS A 22 12.641 2.010 -2.591 1.00 0.00 C ATOM 351 C LYS A 22 12.587 2.510 -4.029 1.00 0.00 C ATOM 352 O LYS A 22 12.657 3.707 -4.268 1.00 0.00 O ATOM 353 CB LYS A 22 14.067 2.131 -2.058 1.00 0.00 C ATOM 354 CG LYS A 22 15.020 1.098 -2.628 1.00 0.00 C ATOM 355 CD LYS A 22 15.490 1.377 -4.038 1.00 0.00 C ATOM 356 CE LYS A 22 16.983 1.073 -4.247 1.00 0.00 C ATOM 357 NZ LYS A 22 17.394 -0.242 -3.746 1.00 0.00 N ATOM 0 H LYS A 22 12.766 -0.033 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 22 11.989 2.645 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.447 3.127 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.049 2.036 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.891 1.030 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.531 0.124 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.903 0.780 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.301 2.424 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.211 1.134 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.574 1.842 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.218 -0.577 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.646 -0.167 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.610 -0.916 -3.857 1.00 0.00 H new ATOM 371 N ASP A 23 12.418 1.543 -4.960 1.00 0.00 N ATOM 372 CA ASP A 23 12.413 1.933 -6.354 1.00 0.00 C ATOM 373 C ASP A 23 11.086 2.571 -6.745 1.00 0.00 C ATOM 374 O ASP A 23 11.007 3.700 -7.190 1.00 0.00 O ATOM 375 CB ASP A 23 12.696 0.758 -7.313 1.00 0.00 C ATOM 376 CG ASP A 23 14.187 0.386 -7.409 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.039 1.201 -7.060 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.481 -0.722 -7.848 1.00 0.00 O ATOM 0 H ASP A 23 12.292 0.549 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 23 13.222 2.657 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.133 -0.114 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.329 1.015 -8.307 1.00 0.00 H new ATOM 383 N ALA A 24 10.042 1.764 -6.554 1.00 0.00 N ATOM 384 CA ALA A 24 8.671 2.184 -6.847 1.00 0.00 C ATOM 385 C ALA A 24 8.358 3.551 -6.193 1.00 0.00 C ATOM 386 O ALA A 24 7.707 4.402 -6.786 1.00 0.00 O ATOM 387 CB ALA A 24 7.718 1.082 -6.377 1.00 0.00 C ATOM 0 H ALA A 24 10.120 0.812 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 24 8.542 2.326 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.690 1.376 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.945 0.155 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.840 0.928 -5.305 1.00 0.00 H new ATOM 393 N GLU A 25 8.881 3.684 -4.952 1.00 0.00 N ATOM 394 CA GLU A 25 8.735 4.892 -4.155 1.00 0.00 C ATOM 395 C GLU A 25 9.467 6.075 -4.816 1.00 0.00 C ATOM 396 O GLU A 25 8.982 7.191 -4.802 1.00 0.00 O ATOM 397 CB GLU A 25 9.260 4.698 -2.724 1.00 0.00 C ATOM 398 CG GLU A 25 8.382 3.732 -1.904 1.00 0.00 C ATOM 399 CD GLU A 25 8.234 4.087 -0.409 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.086 4.783 0.141 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.249 3.662 0.189 1.00 0.00 O ATOM 0 H GLU A 25 9.414 2.948 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 25 7.669 5.111 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.280 4.315 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.301 5.664 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.389 3.699 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.802 2.729 -1.983 1.00 0.00 H new ATOM 408 N ARG A 26 10.641 5.773 -5.426 1.00 0.00 N ATOM 409 CA ARG A 26 11.483 6.812 -6.013 1.00 0.00 C ATOM 410 C ARG A 26 10.749 7.473 -7.214 1.00 0.00 C ATOM 411 O ARG A 26 10.867 8.663 -7.471 1.00 0.00 O ATOM 412 CB ARG A 26 12.836 6.215 -6.516 1.00 0.00 C ATOM 413 CG ARG A 26 12.904 5.626 -7.940 1.00 0.00 C ATOM 414 CD ARG A 26 13.857 4.445 -8.102 1.00 0.00 C ATOM 415 NE ARG A 26 14.903 4.794 -9.056 1.00 0.00 N ATOM 416 CZ ARG A 26 15.643 3.876 -9.702 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.481 2.588 -9.463 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.560 4.255 -10.578 1.00 0.00 N ATOM 0 H ARG A 26 11.011 4.827 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 26 11.686 7.556 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.589 7.000 -6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.130 5.430 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.903 5.310 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.205 6.415 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.299 4.185 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.311 3.568 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 26 15.082 5.781 -9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.788 2.279 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.049 1.902 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.707 5.247 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.119 3.555 -11.066 1.00 0.00 H new ATOM 432 N GLN A 27 9.965 6.604 -7.882 1.00 0.00 N ATOM 433 CA GLN A 27 9.226 7.043 -9.064 1.00 0.00 C ATOM 434 C GLN A 27 8.003 7.866 -8.691 1.00 0.00 C ATOM 435 O GLN A 27 7.701 8.879 -9.309 1.00 0.00 O ATOM 436 CB GLN A 27 8.744 5.857 -9.918 1.00 0.00 C ATOM 437 CG GLN A 27 9.867 4.889 -10.300 1.00 0.00 C ATOM 438 CD GLN A 27 9.383 3.854 -11.334 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.200 3.701 -11.612 1.00 0.00 O ATOM 440 NE2 GLN A 27 10.394 3.162 -11.883 1.00 0.00 N ATOM 0 H GLN A 27 9.834 5.625 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 27 9.927 7.650 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.975 5.312 -9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.278 6.238 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.709 5.448 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.227 4.375 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.355 3.349 -11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.201 2.449 -12.586 1.00 0.00 H new ATOM 449 N LEU A 28 7.285 7.336 -7.678 1.00 0.00 N ATOM 450 CA LEU A 28 6.094 8.026 -7.220 1.00 0.00 C ATOM 451 C LEU A 28 6.446 9.430 -6.696 1.00 0.00 C ATOM 452 O LEU A 28 5.798 10.414 -7.031 1.00 0.00 O ATOM 453 CB LEU A 28 5.374 7.154 -6.181 1.00 0.00 C ATOM 454 CG LEU A 28 4.987 5.823 -6.822 1.00 0.00 C ATOM 455 CD1 LEU A 28 5.085 4.678 -5.829 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.571 5.948 -7.365 1.00 0.00 C ATOM 0 H LEU A 28 7.508 6.469 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 28 5.406 8.182 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.022 6.982 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.485 7.666 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 28 5.680 5.597 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.803 3.746 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.109 4.600 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.414 4.865 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.274 5.007 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.888 6.182 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.535 6.745 -8.108 1.00 0.00 H new ATOM 468 N LEU A 29 7.527 9.439 -5.874 1.00 0.00 N ATOM 469 CA LEU A 29 8.051 10.660 -5.267 1.00 0.00 C ATOM 470 C LEU A 29 8.727 11.575 -6.311 1.00 0.00 C ATOM 471 O LEU A 29 9.139 12.679 -5.985 1.00 0.00 O ATOM 472 CB LEU A 29 9.105 10.273 -4.213 1.00 0.00 C ATOM 473 CG LEU A 29 8.531 9.471 -3.038 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.622 8.669 -2.323 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.809 10.381 -2.045 1.00 0.00 C ATOM 0 H LEU A 29 8.047 8.598 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 29 7.216 11.201 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.889 9.688 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.573 11.179 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 29 7.806 8.770 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.181 8.112 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.081 7.973 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.381 9.350 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.414 9.783 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.509 11.119 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.989 10.892 -2.549 1.00 0.00 H new ATOM 487 N ALA A 30 8.817 11.075 -7.565 1.00 0.00 N ATOM 488 CA ALA A 30 9.391 11.852 -8.654 1.00 0.00 C ATOM 489 C ALA A 30 8.487 13.061 -8.957 1.00 0.00 C ATOM 490 O ALA A 30 7.281 13.013 -8.746 1.00 0.00 O ATOM 491 CB ALA A 30 9.596 10.996 -9.914 1.00 0.00 C ATOM 0 H ALA A 30 8.499 10.144 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 30 10.374 12.206 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.026 11.610 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.271 10.171 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.636 10.599 -10.244 1.00 0.00 H new ATOM 497 N PRO A 31 9.121 14.160 -9.455 1.00 0.00 N ATOM 498 CA PRO A 31 8.400 15.371 -9.828 1.00 0.00 C ATOM 499 C PRO A 31 7.454 15.226 -11.037 1.00 0.00 C ATOM 500 O PRO A 31 6.795 16.180 -11.433 1.00 0.00 O ATOM 501 CB PRO A 31 9.488 16.404 -10.141 1.00 0.00 C ATOM 502 CG PRO A 31 10.794 15.626 -10.249 1.00 0.00 C ATOM 503 CD PRO A 31 10.561 14.276 -9.604 1.00 0.00 C ATOM 0 HA PRO A 31 7.739 15.652 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.270 16.930 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.547 17.157 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.088 15.509 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.602 16.158 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.957 13.472 -10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.062 14.211 -8.638 1.00 0.00 H new ATOM 511 N MET A 32 7.421 14.004 -11.605 1.00 0.00 N ATOM 512 CA MET A 32 6.548 13.730 -12.728 1.00 0.00 C ATOM 513 C MET A 32 5.068 13.677 -12.311 1.00 0.00 C ATOM 514 O MET A 32 4.177 14.085 -13.045 1.00 0.00 O ATOM 515 CB MET A 32 6.997 12.378 -13.286 1.00 0.00 C ATOM 516 CG MET A 32 8.096 12.466 -14.348 1.00 0.00 C ATOM 517 SD MET A 32 8.566 10.834 -14.947 1.00 0.00 S ATOM 518 CE MET A 32 9.474 10.259 -13.504 1.00 0.00 C ATOM 0 H MET A 32 7.986 13.212 -11.299 1.00 0.00 H new ATOM 0 HA MET A 32 6.620 14.524 -13.471 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.353 11.759 -12.463 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.133 11.871 -13.716 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.749 13.075 -15.183 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.969 12.967 -13.929 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.120 9.428 -13.788 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.082 11.073 -13.109 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.771 9.928 -12.740 1.00 0.00 H new ATOM 528 N ASN A 33 4.865 13.141 -11.086 1.00 0.00 N ATOM 529 CA ASN A 33 3.538 12.979 -10.509 1.00 0.00 C ATOM 530 C ASN A 33 3.560 13.326 -9.011 1.00 0.00 C ATOM 531 O ASN A 33 4.568 13.199 -8.328 1.00 0.00 O ATOM 532 CB ASN A 33 2.982 11.582 -10.761 1.00 0.00 C ATOM 533 CG ASN A 33 2.834 11.251 -12.233 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.821 11.017 -12.909 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.571 11.196 -12.679 1.00 0.00 N ATOM 0 H ASN A 33 5.621 12.815 -10.484 1.00 0.00 H new ATOM 0 HA ASN A 33 2.863 13.676 -11.005 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.639 10.848 -10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.010 11.493 -10.276 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.383 10.943 -13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.798 11.407 -12.048 1.00 0.00 H new ATOM 542 N LYS A 34 2.399 13.861 -8.586 1.00 0.00 N ATOM 543 CA LYS A 34 2.219 14.273 -7.202 1.00 0.00 C ATOM 544 C LYS A 34 0.837 13.896 -6.686 1.00 0.00 C ATOM 545 O LYS A 34 -0.190 14.166 -7.292 1.00 0.00 O ATOM 546 CB LYS A 34 2.491 15.747 -6.999 1.00 0.00 C ATOM 547 CG LYS A 34 1.433 16.622 -7.675 1.00 0.00 C ATOM 548 CD LYS A 34 0.337 17.016 -6.667 1.00 0.00 C ATOM 549 CE LYS A 34 0.540 18.428 -6.125 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.733 19.083 -5.858 1.00 0.00 N ATOM 0 H LYS A 34 1.586 14.012 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 34 2.960 13.729 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.516 15.968 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.475 15.993 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.900 17.519 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.989 16.085 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.639 16.949 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.334 16.307 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.129 18.386 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.110 19.017 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.560 20.041 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.284 19.144 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.265 18.533 -5.154 1.00 0.00 H new ATOM 564 N ALA A 35 0.939 13.203 -5.549 1.00 0.00 N ATOM 565 CA ALA A 35 -0.162 12.664 -4.760 1.00 0.00 C ATOM 566 C ALA A 35 -1.206 11.980 -5.642 1.00 0.00 C ATOM 567 O ALA A 35 -2.114 12.582 -6.204 1.00 0.00 O ATOM 568 CB ALA A 35 -0.755 13.733 -3.809 1.00 0.00 C ATOM 0 H ALA A 35 1.847 12.993 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 35 0.236 11.881 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.573 13.297 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.020 14.083 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.129 14.573 -4.394 1.00 0.00 H new ATOM 574 N GLY A 36 -1.030 10.646 -5.668 1.00 0.00 N ATOM 575 CA GLY A 36 -1.878 9.825 -6.474 1.00 0.00 C ATOM 576 C GLY A 36 -1.056 8.678 -6.910 1.00 0.00 C ATOM 577 O GLY A 36 -1.337 7.576 -6.503 1.00 0.00 O ATOM 0 H GLY A 36 -0.315 10.144 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.745 9.488 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.255 10.381 -7.332 1.00 0.00 H new ATOM 581 N SER A 37 -0.278 8.985 -7.983 1.00 0.00 N ATOM 582 CA SER A 37 0.769 8.128 -8.581 1.00 0.00 C ATOM 583 C SER A 37 0.775 6.726 -7.998 1.00 0.00 C ATOM 584 O SER A 37 0.852 6.633 -6.771 1.00 0.00 O ATOM 585 CB SER A 37 2.129 8.772 -8.914 1.00 0.00 C ATOM 586 OG SER A 37 2.680 9.299 -7.630 1.00 0.00 O ATOM 0 H SER A 37 -0.372 9.875 -8.472 1.00 0.00 H new ATOM 0 HA SER A 37 0.447 7.995 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.806 8.040 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.009 9.574 -9.642 1.00 0.00 H new ATOM 0 HG SER A 37 3.550 9.718 -7.795 1.00 0.00 H new ATOM 592 N PHE A 38 0.832 5.653 -8.838 1.00 0.00 N ATOM 593 CA PHE A 38 0.796 4.346 -8.129 1.00 0.00 C ATOM 594 C PHE A 38 1.840 3.360 -8.711 1.00 0.00 C ATOM 595 O PHE A 38 2.322 3.496 -9.831 1.00 0.00 O ATOM 596 CB PHE A 38 -0.513 3.547 -8.490 1.00 0.00 C ATOM 597 CG PHE A 38 -1.731 4.359 -8.785 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.166 5.331 -7.917 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.396 4.153 -9.978 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.236 6.124 -8.256 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.483 4.926 -10.325 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.891 5.911 -9.449 1.00 0.00 C ATOM 0 H PHE A 38 0.894 5.651 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 38 0.925 4.603 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.302 2.921 -9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.743 2.877 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.668 5.472 -6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.060 3.376 -10.648 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.562 6.910 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.002 4.765 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.741 6.527 -9.704 1.00 0.00 H new ATOM 612 N LEU A 39 2.048 2.320 -7.871 1.00 0.00 N ATOM 613 CA LEU A 39 2.923 1.173 -8.153 1.00 0.00 C ATOM 614 C LEU A 39 2.387 -0.023 -7.402 1.00 0.00 C ATOM 615 O LEU A 39 2.422 -0.006 -6.183 1.00 0.00 O ATOM 616 CB LEU A 39 4.391 1.444 -7.735 1.00 0.00 C ATOM 617 CG LEU A 39 5.250 2.061 -8.861 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.100 1.092 -9.989 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.057 3.517 -9.398 1.00 0.00 C ATOM 0 H LEU A 39 1.598 2.260 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 39 2.927 0.990 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.398 2.114 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.847 0.508 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 39 6.226 2.207 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.676 1.440 -10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.466 0.113 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.048 1.016 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.782 3.713 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.048 3.627 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.205 4.227 -8.585 1.00 0.00 H new ATOM 631 N ILE A 40 1.907 -1.066 -8.157 1.00 0.00 N ATOM 632 CA ILE A 40 1.364 -2.205 -7.409 1.00 0.00 C ATOM 633 C ILE A 40 2.436 -3.306 -7.695 1.00 0.00 C ATOM 634 O ILE A 40 2.324 -4.104 -8.615 1.00 0.00 O ATOM 635 CB ILE A 40 -0.123 -2.454 -7.877 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.049 -3.041 -6.797 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.230 -3.525 -8.947 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.531 -2.601 -7.008 1.00 0.00 C ATOM 0 H ILE A 40 1.890 -1.128 -9.175 1.00 0.00 H new ATOM 0 HA ILE A 40 1.240 -2.112 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.414 -1.452 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.986 -4.129 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.710 -2.719 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.275 -3.653 -9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.348 -3.225 -9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.159 -4.467 -8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.154 -3.035 -6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.598 -1.514 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.878 -2.946 -7.982 1.00 0.00 H new ATOM 650 N ARG A 41 3.484 -3.336 -6.842 1.00 0.00 N ATOM 651 CA ARG A 41 4.513 -4.330 -7.127 1.00 0.00 C ATOM 652 C ARG A 41 4.181 -5.624 -6.371 1.00 0.00 C ATOM 653 O ARG A 41 3.334 -5.630 -5.487 1.00 0.00 O ATOM 654 CB ARG A 41 5.854 -3.716 -6.698 1.00 0.00 C ATOM 655 CG ARG A 41 6.131 -3.737 -5.182 1.00 0.00 C ATOM 656 CD ARG A 41 7.205 -4.772 -4.826 1.00 0.00 C ATOM 657 NE ARG A 41 6.994 -5.322 -3.494 1.00 0.00 N ATOM 658 CZ ARG A 41 7.950 -6.027 -2.852 1.00 0.00 C ATOM 659 NH1 ARG A 41 9.140 -6.239 -3.403 1.00 0.00 N ATOM 660 NH2 ARG A 41 7.701 -6.527 -1.649 1.00 0.00 N ATOM 0 H ARG A 41 3.627 -2.740 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 41 4.566 -4.590 -8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.658 -4.249 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.889 -2.683 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.453 -2.748 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.210 -3.966 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.193 -5.578 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.190 -4.308 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 41 6.097 -5.170 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.347 -5.866 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.847 -6.775 -2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.791 -6.378 -1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.420 -7.060 -1.160 1.00 0.00 H new ATOM 674 N GLU A 42 4.876 -6.707 -6.767 1.00 0.00 N ATOM 675 CA GLU A 42 4.647 -8.004 -6.149 1.00 0.00 C ATOM 676 C GLU A 42 5.668 -8.301 -5.085 1.00 0.00 C ATOM 677 O GLU A 42 6.847 -8.029 -5.269 1.00 0.00 O ATOM 678 CB GLU A 42 4.543 -9.143 -7.191 1.00 0.00 C ATOM 679 CG GLU A 42 5.817 -9.905 -7.614 1.00 0.00 C ATOM 680 CD GLU A 42 5.486 -11.305 -8.139 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.588 -11.432 -8.968 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.133 -12.257 -7.705 1.00 0.00 O ATOM 0 H GLU A 42 5.586 -6.701 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 42 3.677 -7.951 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.837 -9.877 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.100 -8.721 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.340 -9.340 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.494 -9.985 -6.763 1.00 0.00 H new ATOM 689 N SER A 43 5.205 -8.933 -3.989 1.00 0.00 N ATOM 690 CA SER A 43 6.221 -9.328 -3.005 1.00 0.00 C ATOM 691 C SER A 43 6.864 -10.570 -3.682 1.00 0.00 C ATOM 692 O SER A 43 6.174 -11.511 -4.041 1.00 0.00 O ATOM 693 CB SER A 43 5.535 -9.550 -1.604 1.00 0.00 C ATOM 694 OG SER A 43 6.320 -9.397 -0.344 1.00 0.00 O ATOM 0 H SER A 43 4.234 -9.162 -3.776 1.00 0.00 H new ATOM 0 HA SER A 43 6.996 -8.599 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.694 -8.860 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.121 -10.558 -1.605 1.00 0.00 H new ATOM 0 HG SER A 43 5.739 -9.569 0.426 1.00 0.00 H new ATOM 700 N GLU A 44 8.187 -10.524 -3.910 1.00 0.00 N ATOM 701 CA GLU A 44 8.822 -11.638 -4.621 1.00 0.00 C ATOM 702 C GLU A 44 8.894 -12.957 -3.797 1.00 0.00 C ATOM 703 O GLU A 44 9.620 -13.872 -4.164 1.00 0.00 O ATOM 704 CB GLU A 44 10.218 -11.263 -5.138 1.00 0.00 C ATOM 705 CG GLU A 44 11.094 -10.594 -4.061 1.00 0.00 C ATOM 706 CD GLU A 44 12.575 -11.016 -4.109 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.930 -12.000 -3.455 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.355 -10.346 -4.784 1.00 0.00 O ATOM 0 H GLU A 44 8.809 -9.767 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 44 8.167 -11.835 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.719 -12.160 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.116 -10.588 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.031 -9.512 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.690 -10.834 -3.078 1.00 0.00 H new ATOM 715 N SER A 45 8.166 -13.007 -2.658 1.00 0.00 N ATOM 716 CA SER A 45 8.185 -14.194 -1.808 1.00 0.00 C ATOM 717 C SER A 45 6.800 -14.498 -1.211 1.00 0.00 C ATOM 718 O SER A 45 6.681 -15.091 -0.145 1.00 0.00 O ATOM 719 CB SER A 45 9.162 -13.860 -0.658 1.00 0.00 C ATOM 720 OG SER A 45 8.840 -12.715 0.237 1.00 0.00 O ATOM 0 H SER A 45 7.572 -12.249 -2.321 1.00 0.00 H new ATOM 0 HA SER A 45 8.481 -15.069 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.259 -14.750 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.141 -13.671 -1.099 1.00 0.00 H new ATOM 0 HG SER A 45 9.541 -12.623 0.915 1.00 0.00 H new ATOM 726 N ASN A 46 5.771 -14.006 -1.920 1.00 0.00 N ATOM 727 CA ASN A 46 4.382 -14.182 -1.515 1.00 0.00 C ATOM 728 C ASN A 46 3.582 -15.243 -2.284 1.00 0.00 C ATOM 729 O ASN A 46 3.956 -15.709 -3.351 1.00 0.00 O ATOM 730 CB ASN A 46 3.666 -12.850 -1.676 1.00 0.00 C ATOM 731 CG ASN A 46 3.741 -12.215 -3.083 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.637 -11.013 -3.200 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.931 -13.010 -4.146 1.00 0.00 N ATOM 0 H ASN A 46 5.886 -13.478 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 46 4.427 -14.538 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.617 -12.989 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.083 -12.145 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.991 -12.606 -5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.015 -14.019 -4.020 1.00 0.00 H new ATOM 740 N LYS A 47 2.464 -15.621 -1.630 1.00 0.00 N ATOM 741 CA LYS A 47 1.425 -16.467 -2.235 1.00 0.00 C ATOM 742 C LYS A 47 0.590 -15.712 -3.284 1.00 0.00 C ATOM 743 O LYS A 47 -0.635 -15.777 -3.267 1.00 0.00 O ATOM 744 CB LYS A 47 0.592 -17.270 -1.232 1.00 0.00 C ATOM 745 CG LYS A 47 0.185 -16.403 -0.059 1.00 0.00 C ATOM 746 CD LYS A 47 1.229 -16.466 1.074 1.00 0.00 C ATOM 747 CE LYS A 47 0.902 -17.545 2.103 1.00 0.00 C ATOM 748 NZ LYS A 47 -0.159 -17.123 3.007 1.00 0.00 N ATOM 0 H LYS A 47 2.260 -15.346 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 47 1.966 -17.238 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.297 -17.666 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.167 -18.125 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.067 -15.371 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.784 -16.730 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.213 -16.660 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.282 -15.497 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.601 -18.458 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.797 -17.783 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.354 -17.881 3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.138 -16.266 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.020 -16.920 2.461 1.00 0.00 H new ATOM 762 N GLY A 48 1.279 -14.993 -4.186 1.00 0.00 N ATOM 763 CA GLY A 48 0.551 -14.229 -5.178 1.00 0.00 C ATOM 764 C GLY A 48 0.005 -12.920 -4.585 1.00 0.00 C ATOM 765 O GLY A 48 -1.103 -12.495 -4.883 1.00 0.00 O ATOM 0 H GLY A 48 2.296 -14.932 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.206 -14.004 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.274 -14.826 -5.567 1.00 0.00 H new ATOM 769 N ALA A 49 0.869 -12.321 -3.729 1.00 0.00 N ATOM 770 CA ALA A 49 0.516 -11.041 -3.086 1.00 0.00 C ATOM 771 C ALA A 49 1.113 -9.847 -3.877 1.00 0.00 C ATOM 772 O ALA A 49 1.987 -9.983 -4.724 1.00 0.00 O ATOM 773 CB ALA A 49 0.972 -10.967 -1.604 1.00 0.00 C ATOM 0 H ALA A 49 1.785 -12.692 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.572 -10.981 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.686 -10.003 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.496 -11.767 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.055 -11.079 -1.551 1.00 0.00 H new ATOM 779 N PHE A 50 0.551 -8.669 -3.546 1.00 0.00 N ATOM 780 CA PHE A 50 0.940 -7.408 -4.171 1.00 0.00 C ATOM 781 C PHE A 50 0.969 -6.300 -3.085 1.00 0.00 C ATOM 782 O PHE A 50 0.536 -6.491 -1.954 1.00 0.00 O ATOM 783 CB PHE A 50 0.033 -7.102 -5.400 1.00 0.00 C ATOM 784 CG PHE A 50 0.344 -7.947 -6.615 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.262 -9.187 -6.798 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.200 -7.479 -7.604 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.029 -9.933 -7.945 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.411 -8.208 -8.763 1.00 0.00 C ATOM 789 CZ PHE A 50 0.794 -9.435 -8.939 1.00 0.00 C ATOM 0 H PHE A 50 -0.180 -8.573 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 50 1.948 -7.465 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.009 -7.257 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.138 -6.050 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.923 -9.574 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.707 -6.535 -7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.490 -10.903 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.060 -7.817 -9.533 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.954 -9.999 -9.846 1.00 0.00 H new ATOM 799 N SER A 51 1.477 -5.130 -3.519 1.00 0.00 N ATOM 800 CA SER A 51 1.631 -3.955 -2.674 1.00 0.00 C ATOM 801 C SER A 51 1.491 -2.690 -3.540 1.00 0.00 C ATOM 802 O SER A 51 2.250 -2.533 -4.477 1.00 0.00 O ATOM 803 CB SER A 51 3.018 -3.986 -1.989 1.00 0.00 C ATOM 804 OG SER A 51 3.025 -4.708 -0.679 1.00 0.00 O ATOM 0 H SER A 51 1.792 -4.984 -4.478 1.00 0.00 H new ATOM 0 HA SER A 51 0.861 -3.949 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.734 -4.461 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.359 -2.963 -1.832 1.00 0.00 H new ATOM 0 HG SER A 51 3.929 -4.692 -0.302 1.00 0.00 H new ATOM 810 N LEU A 52 0.529 -1.808 -3.191 1.00 0.00 N ATOM 811 CA LEU A 52 0.280 -0.560 -3.926 1.00 0.00 C ATOM 812 C LEU A 52 0.802 0.626 -3.077 1.00 0.00 C ATOM 813 O LEU A 52 0.392 0.864 -1.947 1.00 0.00 O ATOM 814 CB LEU A 52 -1.271 -0.455 -4.063 1.00 0.00 C ATOM 815 CG LEU A 52 -1.892 0.835 -4.658 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.690 0.950 -6.174 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.406 0.905 -4.355 1.00 0.00 C ATOM 0 H LEU A 52 -0.092 -1.945 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 52 0.773 -0.543 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.604 -1.292 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.698 -0.597 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.370 1.665 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.146 1.873 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.624 0.961 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.157 0.098 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.821 1.818 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.905 0.041 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.561 0.906 -3.276 1.00 0.00 H new ATOM 829 N SER A 53 1.734 1.333 -3.736 1.00 0.00 N ATOM 830 CA SER A 53 2.413 2.516 -3.237 1.00 0.00 C ATOM 831 C SER A 53 1.681 3.701 -3.868 1.00 0.00 C ATOM 832 O SER A 53 1.303 3.655 -5.030 1.00 0.00 O ATOM 833 CB SER A 53 3.881 2.475 -3.680 1.00 0.00 C ATOM 834 OG SER A 53 4.475 1.413 -2.805 1.00 0.00 O ATOM 0 H SER A 53 2.041 1.075 -4.674 1.00 0.00 H new ATOM 0 HA SER A 53 2.402 2.585 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.976 2.225 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.372 3.437 -3.535 1.00 0.00 H new ATOM 0 HG SER A 53 5.426 1.309 -3.017 1.00 0.00 H new ATOM 840 N VAL A 54 1.481 4.733 -3.036 1.00 0.00 N ATOM 841 CA VAL A 54 0.790 5.921 -3.526 1.00 0.00 C ATOM 842 C VAL A 54 1.495 7.111 -2.910 1.00 0.00 C ATOM 843 O VAL A 54 1.962 7.012 -1.793 1.00 0.00 O ATOM 844 CB VAL A 54 -0.693 5.968 -3.108 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.305 7.310 -3.507 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.499 4.870 -3.786 1.00 0.00 C ATOM 0 H VAL A 54 1.776 4.767 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 54 0.815 5.919 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.728 5.829 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.353 7.335 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.767 8.117 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.233 7.436 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.540 4.933 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.442 4.992 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.094 3.897 -3.509 1.00 0.00 H new ATOM 856 N LYS A 55 1.530 8.249 -3.611 1.00 0.00 N ATOM 857 CA LYS A 55 2.225 9.337 -2.939 1.00 0.00 C ATOM 858 C LYS A 55 1.345 10.019 -1.897 1.00 0.00 C ATOM 859 O LYS A 55 0.204 10.383 -2.164 1.00 0.00 O ATOM 860 CB LYS A 55 2.668 10.286 -4.035 1.00 0.00 C ATOM 861 CG LYS A 55 3.374 11.593 -3.627 1.00 0.00 C ATOM 862 CD LYS A 55 4.434 12.011 -4.653 1.00 0.00 C ATOM 863 CE LYS A 55 5.294 13.207 -4.271 1.00 0.00 C ATOM 864 NZ LYS A 55 5.437 14.123 -5.402 1.00 0.00 N ATOM 0 H LYS A 55 1.135 8.429 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 55 3.083 8.971 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.338 9.739 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.788 10.552 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.636 12.388 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.843 11.464 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.090 11.160 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.932 12.235 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.844 13.730 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.277 12.866 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.193 14.808 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.678 13.583 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.542 14.630 -5.553 1.00 0.00 H new ATOM 878 N ASP A 56 1.983 10.177 -0.706 1.00 0.00 N ATOM 879 CA ASP A 56 1.307 10.899 0.362 1.00 0.00 C ATOM 880 C ASP A 56 2.144 12.143 0.667 1.00 0.00 C ATOM 881 O ASP A 56 3.273 12.101 1.129 1.00 0.00 O ATOM 882 CB ASP A 56 1.088 9.992 1.573 1.00 0.00 C ATOM 883 CG ASP A 56 0.657 10.755 2.842 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.472 11.241 2.887 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.457 10.852 3.773 1.00 0.00 O ATOM 0 H ASP A 56 2.915 9.828 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 56 0.308 11.217 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.328 9.250 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.009 9.448 1.781 1.00 0.00 H new ATOM 890 N ILE A 57 1.498 13.262 0.283 1.00 0.00 N ATOM 891 CA ILE A 57 2.076 14.584 0.484 1.00 0.00 C ATOM 892 C ILE A 57 1.291 15.303 1.587 1.00 0.00 C ATOM 893 O ILE A 57 0.066 15.297 1.607 1.00 0.00 O ATOM 894 CB ILE A 57 2.049 15.405 -0.808 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.543 14.585 -2.015 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.870 16.698 -0.630 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.917 15.459 -3.207 1.00 0.00 C ATOM 0 H ILE A 57 0.581 13.266 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 57 3.119 14.474 0.779 1.00 0.00 H new ATOM 0 HB ILE A 57 1.015 15.678 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.409 13.994 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.765 13.883 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.845 17.275 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.444 17.291 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.902 16.443 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.258 14.828 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.046 16.031 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.715 16.144 -2.920 1.00 0.00 H new ATOM 909 N THR A 58 2.086 15.811 2.549 1.00 0.00 N ATOM 910 CA THR A 58 1.538 16.570 3.678 1.00 0.00 C ATOM 911 C THR A 58 2.401 17.819 3.908 1.00 0.00 C ATOM 912 O THR A 58 3.399 18.028 3.227 1.00 0.00 O ATOM 913 CB THR A 58 1.516 15.608 4.907 1.00 0.00 C ATOM 914 OG1 THR A 58 1.150 16.015 6.271 1.00 0.00 O ATOM 915 CG2 THR A 58 2.907 15.004 5.101 1.00 0.00 C ATOM 0 H THR A 58 3.101 15.708 2.563 1.00 0.00 H new ATOM 0 HA THR A 58 0.523 16.923 3.494 1.00 0.00 H new ATOM 0 HB THR A 58 0.681 14.991 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.052 15.219 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.895 14.331 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.190 14.448 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.629 15.802 5.275 1.00 0.00 H new ATOM 923 N THR A 59 1.987 18.607 4.932 1.00 0.00 N ATOM 924 CA THR A 59 2.734 19.814 5.322 1.00 0.00 C ATOM 925 C THR A 59 3.927 19.426 6.228 1.00 0.00 C ATOM 926 O THR A 59 4.355 20.210 7.067 1.00 0.00 O ATOM 927 CB THR A 59 1.830 20.898 5.993 1.00 0.00 C ATOM 928 OG1 THR A 59 2.443 22.220 6.151 1.00 0.00 O ATOM 929 CG2 THR A 59 1.069 20.332 7.239 1.00 0.00 C ATOM 0 H THR A 59 1.153 18.427 5.490 1.00 0.00 H new ATOM 0 HA THR A 59 3.117 20.272 4.410 1.00 0.00 H new ATOM 0 HB THR A 59 1.050 21.132 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.343 22.121 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.452 21.117 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.434 19.501 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.790 19.983 7.978 1.00 0.00 H new ATOM 937 N GLN A 60 4.454 18.190 5.994 1.00 0.00 N ATOM 938 CA GLN A 60 5.586 17.719 6.797 1.00 0.00 C ATOM 939 C GLN A 60 6.749 17.227 5.913 1.00 0.00 C ATOM 940 O GLN A 60 7.885 17.666 6.055 1.00 0.00 O ATOM 941 CB GLN A 60 5.101 16.595 7.722 1.00 0.00 C ATOM 942 CG GLN A 60 4.182 17.096 8.846 1.00 0.00 C ATOM 943 CD GLN A 60 4.996 17.652 10.024 1.00 0.00 C ATOM 944 OE1 GLN A 60 6.154 17.314 10.233 1.00 0.00 O ATOM 945 NE2 GLN A 60 4.318 18.524 10.780 1.00 0.00 N ATOM 0 H GLN A 60 4.121 17.537 5.284 1.00 0.00 H new ATOM 0 HA GLN A 60 5.967 18.552 7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.569 15.850 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.965 16.096 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.520 17.871 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.548 16.280 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.354 18.760 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.766 18.953 11.590 1.00 0.00 H new ATOM 954 N GLY A 61 6.403 16.297 5.004 1.00 0.00 N ATOM 955 CA GLY A 61 7.406 15.737 4.111 1.00 0.00 C ATOM 956 C GLY A 61 6.752 14.865 3.037 1.00 0.00 C ATOM 957 O GLY A 61 5.589 14.494 3.130 1.00 0.00 O ATOM 0 H GLY A 61 5.459 15.932 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.969 16.542 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.118 15.143 4.684 1.00 0.00 H new ATOM 961 N GLU A 62 7.572 14.605 1.998 1.00 0.00 N ATOM 962 CA GLU A 62 7.183 13.799 0.864 1.00 0.00 C ATOM 963 C GLU A 62 7.416 12.318 1.170 1.00 0.00 C ATOM 964 O GLU A 62 8.529 11.896 1.462 1.00 0.00 O ATOM 965 CB GLU A 62 8.025 14.237 -0.339 1.00 0.00 C ATOM 966 CG GLU A 62 7.239 14.019 -1.623 1.00 0.00 C ATOM 967 CD GLU A 62 8.015 14.475 -2.869 1.00 0.00 C ATOM 968 OE1 GLU A 62 9.114 13.972 -3.090 1.00 0.00 O ATOM 969 OE2 GLU A 62 7.505 15.313 -3.614 1.00 0.00 O ATOM 0 H GLU A 62 8.527 14.960 1.939 1.00 0.00 H new ATOM 0 HA GLU A 62 6.124 13.934 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.296 15.288 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.955 13.669 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.991 12.962 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.296 14.563 -1.566 1.00 0.00 H new ATOM 976 N VAL A 63 6.293 11.577 1.117 1.00 0.00 N ATOM 977 CA VAL A 63 6.324 10.149 1.380 1.00 0.00 C ATOM 978 C VAL A 63 5.402 9.450 0.368 1.00 0.00 C ATOM 979 O VAL A 63 4.707 10.096 -0.407 1.00 0.00 O ATOM 980 CB VAL A 63 5.892 9.944 2.845 1.00 0.00 C ATOM 981 CG1 VAL A 63 4.500 10.538 3.132 1.00 0.00 C ATOM 982 CG2 VAL A 63 6.001 8.479 3.291 1.00 0.00 C ATOM 0 H VAL A 63 5.369 11.949 0.896 1.00 0.00 H new ATOM 0 HA VAL A 63 7.316 9.714 1.258 1.00 0.00 H new ATOM 0 HB VAL A 63 6.602 10.504 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.240 10.368 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.513 11.609 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.760 10.057 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.685 8.391 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.361 7.859 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.035 8.146 3.197 1.00 0.00 H new ATOM 992 N VAL A 64 5.440 8.100 0.430 1.00 0.00 N ATOM 993 CA VAL A 64 4.552 7.276 -0.380 1.00 0.00 C ATOM 994 C VAL A 64 3.508 6.771 0.616 1.00 0.00 C ATOM 995 O VAL A 64 3.264 7.403 1.630 1.00 0.00 O ATOM 996 CB VAL A 64 5.284 6.170 -1.189 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.571 5.761 -2.474 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.621 6.649 -1.627 1.00 0.00 C ATOM 0 H VAL A 64 6.074 7.574 1.031 1.00 0.00 H new ATOM 0 HA VAL A 64 4.084 7.837 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 64 5.327 5.321 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.147 4.985 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.579 5.378 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.477 6.627 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.122 5.863 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.503 7.531 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.220 6.905 -0.753 1.00 0.00 H new ATOM 1008 N LYS A 65 2.889 5.653 0.244 1.00 0.00 N ATOM 1009 CA LYS A 65 1.906 4.926 1.035 1.00 0.00 C ATOM 1010 C LYS A 65 2.122 3.437 0.847 1.00 0.00 C ATOM 1011 O LYS A 65 2.789 3.028 -0.088 1.00 0.00 O ATOM 1012 CB LYS A 65 0.489 5.290 0.598 1.00 0.00 C ATOM 1013 CG LYS A 65 0.160 6.731 0.956 1.00 0.00 C ATOM 1014 CD LYS A 65 0.168 6.953 2.481 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.134 7.573 2.954 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.203 7.723 4.401 1.00 0.00 N ATOM 0 H LYS A 65 3.069 5.212 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 65 2.028 5.195 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.389 5.147 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.226 4.621 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.884 7.397 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.819 6.992 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.326 6.001 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.002 7.601 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.255 8.551 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.967 6.955 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.114 8.151 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.117 6.789 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.427 8.336 4.724 1.00 0.00 H new ATOM 1030 N HIS A 66 1.410 2.665 1.695 1.00 0.00 N ATOM 1031 CA HIS A 66 1.475 1.214 1.613 1.00 0.00 C ATOM 1032 C HIS A 66 0.057 0.643 1.804 1.00 0.00 C ATOM 1033 O HIS A 66 -0.579 0.826 2.836 1.00 0.00 O ATOM 1034 CB HIS A 66 2.347 0.659 2.764 1.00 0.00 C ATOM 1035 CG HIS A 66 3.827 0.716 2.459 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.357 1.088 1.278 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.883 0.399 3.330 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.690 1.006 1.425 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.039 0.592 2.656 1.00 0.00 N ATOM 0 H HIS A 66 0.798 3.026 2.427 1.00 0.00 H new ATOM 0 HA HIS A 66 1.895 0.934 0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.146 1.227 3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.062 -0.374 2.964 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.849 1.374 0.441 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.788 0.062 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.398 1.245 0.646 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.377 -0.040 0.732 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.670 -0.715 0.687 1.00 0.00 C ATOM 1049 C TYR A 67 -1.397 -2.094 0.087 1.00 0.00 C ATOM 1050 O TYR A 67 -1.464 -2.314 -1.110 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.637 0.094 -0.183 1.00 0.00 C ATOM 1052 CG TYR A 67 -3.023 1.363 0.515 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.867 1.292 1.608 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.531 2.595 0.118 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.209 2.418 2.337 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.869 3.741 0.828 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.700 3.680 1.950 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.986 4.905 2.562 1.00 0.00 O ATOM 0 H TYR A 67 0.166 -0.136 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.129 -0.809 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.170 0.325 -1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.527 -0.497 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.270 0.334 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.884 2.665 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.860 2.334 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.482 4.697 0.507 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.586 5.425 1.988 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.136 -3.011 1.025 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.833 -4.401 0.696 1.00 0.00 C ATOM 1070 C LYS A 68 -2.112 -5.152 0.298 1.00 0.00 C ATOM 1071 O LYS A 68 -3.022 -5.353 1.090 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.113 -5.137 1.832 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.675 -4.774 3.197 1.00 0.00 C ATOM 1074 CD LYS A 68 -0.051 -3.480 3.748 1.00 0.00 C ATOM 1075 CE LYS A 68 0.846 -3.727 4.959 1.00 0.00 C ATOM 1076 NZ LYS A 68 1.236 -2.487 5.623 1.00 0.00 N ATOM 0 H LYS A 68 -1.130 -2.809 2.025 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.148 -4.380 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.201 -6.213 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.950 -4.896 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.756 -4.654 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.491 -5.591 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.531 -2.999 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.846 -2.788 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.325 -4.368 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.740 -4.264 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.844 -2.706 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.757 -1.884 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.385 -1.986 5.950 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.101 -5.513 -0.991 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.133 -6.320 -1.642 1.00 0.00 C ATOM 1092 C ILE A 69 -2.828 -7.798 -1.482 1.00 0.00 C ATOM 1093 O ILE A 69 -1.761 -8.288 -1.824 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.420 -5.905 -3.108 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.220 -5.415 -3.905 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.662 -5.125 -3.371 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.073 -3.883 -3.901 1.00 0.00 C ATOM 0 H ILE A 69 -1.350 -5.242 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.073 -6.119 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.658 -6.884 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.314 -5.861 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.310 -5.762 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.734 -4.904 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.530 -5.707 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.632 -4.192 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.199 -3.600 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.964 -3.431 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.952 -3.532 -2.876 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.849 -8.476 -0.935 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.788 -9.905 -0.688 1.00 0.00 C ATOM 1111 C ARG A 70 -4.462 -10.613 -1.855 1.00 0.00 C ATOM 1112 O ARG A 70 -5.054 -9.966 -2.703 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.462 -10.209 0.658 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.441 -10.087 1.795 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.678 -11.220 2.778 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.045 -10.934 4.062 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.951 -11.859 5.040 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.439 -13.080 4.871 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.364 -11.545 6.187 1.00 0.00 N ATOM 0 H ARG A 70 -4.730 -8.043 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.761 -10.263 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.288 -9.518 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.885 -11.214 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.426 -10.134 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.544 -9.124 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.749 -11.366 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.281 -12.150 2.371 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.661 -10.003 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.893 -13.331 3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.361 -13.769 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.986 -10.608 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.290 -12.241 6.929 1.00 0.00 H new ATOM 1133 N SER A 71 -4.401 -11.961 -1.806 1.00 0.00 N ATOM 1134 CA SER A 71 -4.984 -12.753 -2.879 1.00 0.00 C ATOM 1135 C SER A 71 -5.792 -13.910 -2.280 1.00 0.00 C ATOM 1136 O SER A 71 -5.261 -14.854 -1.707 1.00 0.00 O ATOM 1137 CB SER A 71 -3.879 -13.305 -3.802 1.00 0.00 C ATOM 1138 OG SER A 71 -2.890 -13.888 -2.828 1.00 0.00 O ATOM 0 H SER A 71 -3.966 -12.498 -1.056 1.00 0.00 H new ATOM 0 HA SER A 71 -5.643 -12.118 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.264 -14.060 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.432 -12.520 -4.411 1.00 0.00 H new ATOM 0 HG SER A 71 -3.365 -14.436 -2.168 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.125 -13.732 -2.401 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.081 -14.694 -1.885 1.00 0.00 C ATOM 1146 C LEU A 72 -8.506 -15.663 -2.972 1.00 0.00 C ATOM 1147 O LEU A 72 -8.628 -15.315 -4.142 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.275 -13.961 -1.258 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.875 -12.663 -0.577 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.628 -12.882 0.300 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.813 -11.500 -1.594 1.00 0.00 C ATOM 0 H LEU A 72 -7.549 -12.923 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.609 -15.287 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.012 -13.748 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.756 -14.615 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.644 -12.343 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.353 -11.944 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.846 -13.631 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.802 -13.227 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.525 -10.583 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.079 -11.730 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.792 -11.366 -2.054 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.789 -16.879 -2.467 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.216 -17.966 -3.343 1.00 0.00 C ATOM 1165 C ASP A 73 -10.552 -17.671 -4.041 1.00 0.00 C ATOM 1166 O ASP A 73 -10.799 -18.117 -5.155 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.423 -19.258 -2.542 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.396 -19.091 -1.353 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.988 -18.552 -0.326 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.551 -19.496 -1.478 1.00 0.00 O ATOM 0 H ASP A 73 -8.729 -17.122 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.424 -18.071 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.803 -20.033 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.459 -19.604 -2.168 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.362 -16.859 -3.331 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.675 -16.511 -3.853 1.00 0.00 C ATOM 1177 C ASN A 74 -13.039 -15.066 -3.488 1.00 0.00 C ATOM 1178 O ASN A 74 -14.169 -14.731 -3.150 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.743 -17.477 -3.313 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.958 -17.394 -1.788 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.194 -16.786 -1.049 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -15.063 -18.028 -1.370 1.00 0.00 N ATOM 0 H ASN A 74 -11.130 -16.450 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.641 -16.597 -4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.689 -17.271 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.459 -18.497 -3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.311 -18.022 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.656 -18.516 -2.041 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.983 -14.246 -3.607 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.120 -12.826 -3.306 1.00 0.00 C ATOM 1191 C GLY A 75 -11.131 -11.929 -4.043 1.00 0.00 C ATOM 1192 O GLY A 75 -11.041 -10.745 -3.775 1.00 0.00 O ATOM 0 H GLY A 75 -11.051 -14.538 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.133 -12.510 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.995 -12.680 -2.233 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.394 -12.538 -4.982 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.432 -11.830 -5.807 1.00 0.00 C ATOM 1198 C GLY A 76 -8.336 -11.096 -5.052 1.00 0.00 C ATOM 1199 O GLY A 76 -7.313 -11.670 -4.718 1.00 0.00 O ATOM 0 H GLY A 76 -10.455 -13.536 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.966 -12.545 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.969 -11.109 -6.424 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.653 -9.816 -4.748 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.720 -8.943 -4.071 1.00 0.00 C ATOM 1205 C TYR A 77 -8.511 -8.117 -3.072 1.00 0.00 C ATOM 1206 O TYR A 77 -9.666 -7.779 -3.284 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.994 -8.027 -5.083 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.153 -8.802 -6.054 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.841 -9.103 -5.742 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.670 -9.204 -7.275 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -4.055 -9.828 -6.632 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.899 -9.899 -8.192 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.573 -10.219 -7.873 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.780 -10.930 -8.768 1.00 0.00 O ATOM 0 H TYR A 77 -9.550 -9.384 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.955 -9.528 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.731 -7.441 -5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.363 -7.321 -4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.423 -8.774 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.696 -8.970 -7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.042 -10.090 -6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.316 -10.192 -9.144 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.295 -11.122 -9.580 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.790 -7.814 -1.971 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.433 -7.025 -0.896 1.00 0.00 C ATOM 1226 C TYR A 78 -7.393 -6.241 -0.079 1.00 0.00 C ATOM 1227 O TYR A 78 -6.264 -6.687 0.088 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.330 -7.894 0.031 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.695 -8.409 1.315 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.618 -7.562 2.423 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.211 -9.715 1.455 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.063 -7.963 3.624 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.668 -10.135 2.673 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.565 -9.261 3.762 1.00 0.00 C ATOM 1235 OH TYR A 78 -6.989 -9.689 4.956 1.00 0.00 O ATOM 0 H TYR A 78 -6.820 -8.084 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.090 -6.309 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.210 -7.309 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.680 -8.752 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.006 -6.558 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.257 -10.399 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.014 -7.274 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.321 -11.153 2.776 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.701 -10.621 4.865 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.816 -4.990 0.283 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.898 -4.145 1.121 1.00 0.00 C ATOM 1247 C ILE A 79 -7.609 -3.850 2.451 1.00 0.00 C ATOM 1248 O ILE A 79 -7.049 -4.011 3.528 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.292 -2.850 0.501 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.271 -2.242 -0.440 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -4.952 -3.003 -0.182 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.771 -1.080 -1.330 1.00 0.00 C ATOM 0 H ILE A 79 -8.711 -4.568 0.034 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.999 -4.750 1.239 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.093 -2.200 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.646 -3.030 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.119 -1.881 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.631 -2.038 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.217 -3.365 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.041 -3.716 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.585 -0.732 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.428 -0.260 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.947 -1.428 -1.953 1.00 0.00 H new ATOM 1264 N SER A 80 -8.901 -3.498 2.298 1.00 0.00 N ATOM 1265 CA SER A 80 -9.747 -3.237 3.445 1.00 0.00 C ATOM 1266 C SER A 80 -10.757 -4.375 3.305 1.00 0.00 C ATOM 1267 O SER A 80 -11.373 -4.517 2.262 1.00 0.00 O ATOM 1268 CB SER A 80 -10.501 -1.876 3.383 1.00 0.00 C ATOM 1269 OG SER A 80 -9.448 -0.863 3.029 1.00 0.00 O ATOM 0 H SER A 80 -9.364 -3.393 1.395 1.00 0.00 H new ATOM 0 HA SER A 80 -9.181 -3.186 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.294 -1.898 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.970 -1.641 4.339 1.00 0.00 H new ATOM 0 HG SER A 80 -9.856 0.026 2.971 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.928 -5.186 4.379 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.835 -6.323 4.322 1.00 0.00 C ATOM 1277 C PRO A 81 -13.323 -5.954 4.157 1.00 0.00 C ATOM 1278 O PRO A 81 -14.173 -6.822 4.012 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.614 -7.026 5.667 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.559 -6.264 6.454 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.182 -5.076 5.615 1.00 0.00 C ATOM 0 HA PRO A 81 -11.620 -6.933 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.547 -7.067 6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.294 -8.055 5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.949 -5.948 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.691 -6.893 6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.422 -4.146 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.110 -5.064 5.420 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.566 -4.630 4.107 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.917 -4.112 3.890 1.00 0.00 C ATOM 1291 C ARG A 82 -15.224 -4.004 2.373 1.00 0.00 C ATOM 1292 O ARG A 82 -16.365 -3.838 1.967 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.075 -2.785 4.646 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.097 -1.678 4.205 1.00 0.00 C ATOM 1295 CD ARG A 82 -14.759 -0.676 3.258 1.00 0.00 C ATOM 1296 NE ARG A 82 -15.005 0.605 3.885 1.00 0.00 N ATOM 1297 CZ ARG A 82 -16.103 0.871 4.606 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -17.058 -0.035 4.750 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -16.229 2.061 5.169 1.00 0.00 N ATOM 0 H ARG A 82 -12.849 -3.912 4.213 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.659 -4.803 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.095 -2.425 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.938 -2.970 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.722 -1.154 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.236 -2.129 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.123 -0.532 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.703 -1.088 2.901 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.308 1.342 3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.964 -0.950 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.888 0.182 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.496 2.761 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.059 2.279 5.721 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.136 -4.160 1.579 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.112 -4.085 0.119 1.00 0.00 C ATOM 1315 C ILE A 83 -12.976 -4.958 -0.525 1.00 0.00 C ATOM 1316 O ILE A 83 -11.754 -4.778 -0.357 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.066 -2.656 -0.344 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.043 -1.911 0.461 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.407 -1.930 -0.214 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.952 -0.498 -0.103 1.00 0.00 C ATOM 0 H ILE A 83 -13.213 -4.350 1.970 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.046 -4.520 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.810 -2.679 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.328 -1.886 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.075 -2.409 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.301 -0.904 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.158 -2.444 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.718 -1.925 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.214 0.072 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.652 -0.543 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.924 -0.012 -0.025 1.00 0.00 H new ATOM 1332 N THR A 84 -13.542 -5.933 -1.250 1.00 0.00 N ATOM 1333 CA THR A 84 -12.811 -6.933 -2.003 1.00 0.00 C ATOM 1334 C THR A 84 -13.145 -6.758 -3.503 1.00 0.00 C ATOM 1335 O THR A 84 -14.197 -6.235 -3.862 1.00 0.00 O ATOM 1336 CB THR A 84 -13.288 -8.296 -1.430 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.724 -8.393 -0.032 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.184 -9.348 -1.606 1.00 0.00 C ATOM 0 H THR A 84 -14.554 -6.041 -1.324 1.00 0.00 H new ATOM 0 HA THR A 84 -11.727 -6.855 -1.917 1.00 0.00 H new ATOM 0 HB THR A 84 -14.195 -8.453 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.992 -9.315 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.523 -10.302 -1.203 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.956 -9.462 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.288 -9.027 -1.075 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.218 -7.261 -4.352 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.368 -7.159 -5.814 1.00 0.00 C ATOM 1348 C PHE A 85 -11.891 -8.467 -6.464 1.00 0.00 C ATOM 1349 O PHE A 85 -11.209 -9.243 -5.827 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.550 -5.949 -6.290 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.214 -4.679 -5.827 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.365 -4.209 -6.468 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.718 -3.964 -4.741 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.027 -3.064 -6.029 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.397 -2.822 -4.339 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.546 -2.375 -4.937 1.00 0.00 C ATOM 0 H PHE A 85 -11.368 -7.736 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.410 -7.013 -6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.535 -6.005 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.471 -5.955 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.749 -4.746 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.827 -4.289 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.912 -2.719 -6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.998 -2.255 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.062 -1.504 -4.562 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.259 -8.700 -7.749 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.818 -9.892 -8.479 1.00 0.00 C ATOM 1368 C PRO A 86 -10.352 -9.780 -8.937 1.00 0.00 C ATOM 1369 O PRO A 86 -9.543 -10.664 -8.683 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.734 -9.950 -9.727 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.618 -8.692 -9.710 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.338 -7.967 -8.401 1.00 0.00 C ATOM 0 HA PRO A 86 -11.880 -10.778 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.138 -9.987 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.348 -10.850 -9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.392 -8.051 -10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.672 -8.960 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.050 -6.932 -8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.228 -7.944 -7.772 1.00 0.00 H new ATOM 1380 N THR A 87 -10.055 -8.651 -9.607 1.00 0.00 N ATOM 1381 CA THR A 87 -8.690 -8.421 -10.091 1.00 0.00 C ATOM 1382 C THR A 87 -8.315 -7.055 -9.571 1.00 0.00 C ATOM 1383 O THR A 87 -9.127 -6.322 -9.015 1.00 0.00 O ATOM 1384 CB THR A 87 -8.540 -8.480 -11.631 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.093 -8.318 -11.915 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.613 -7.548 -12.242 1.00 0.00 C ATOM 0 H THR A 87 -10.721 -7.908 -9.818 1.00 0.00 H new ATOM 0 HA THR A 87 -8.035 -9.216 -9.733 1.00 0.00 H new ATOM 0 HB THR A 87 -8.771 -9.416 -12.140 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.944 -8.350 -12.883 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.535 -7.566 -13.329 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.604 -7.890 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.457 -6.530 -11.884 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.040 -6.731 -9.836 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.631 -5.455 -9.352 1.00 0.00 C ATOM 1396 C LEU A 88 -7.223 -4.370 -10.220 1.00 0.00 C ATOM 1397 O LEU A 88 -7.367 -3.296 -9.702 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.121 -5.228 -9.491 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.227 -5.982 -8.519 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.797 -5.489 -8.665 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.657 -5.689 -7.093 1.00 0.00 C ATOM 0 H LEU A 88 -6.349 -7.291 -10.336 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.948 -5.425 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.827 -5.500 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.925 -4.162 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.301 -7.048 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.154 -6.028 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.455 -5.663 -9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.756 -4.422 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.014 -6.231 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.576 -4.619 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.690 -6.006 -6.952 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.570 -4.615 -11.503 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.105 -3.439 -12.256 1.00 0.00 C ATOM 1415 C GLN A 89 -9.451 -2.961 -11.693 1.00 0.00 C ATOM 1416 O GLN A 89 -9.744 -1.774 -11.716 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.173 -3.588 -13.800 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.463 -4.998 -14.302 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.885 -5.210 -14.830 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.806 -5.273 -13.858 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.119 -5.328 -16.023 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.506 -5.503 -12.001 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.349 -2.672 -12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.944 -2.918 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.225 -3.256 -14.224 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.756 -5.239 -15.096 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.283 -5.702 -13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.359 -5.267 -16.700 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.075 -5.487 -16.342 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.244 -3.931 -11.188 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.539 -3.556 -10.634 1.00 0.00 C ATOM 1432 C ALA A 90 -11.365 -2.915 -9.243 1.00 0.00 C ATOM 1433 O ALA A 90 -12.246 -2.247 -8.721 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.397 -4.832 -10.496 1.00 0.00 C ATOM 0 H ALA A 90 -10.018 -4.925 -11.157 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.020 -2.835 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.371 -4.572 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.529 -5.289 -11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.897 -5.537 -9.831 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.171 -3.171 -8.678 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.795 -2.604 -7.399 1.00 0.00 C ATOM 1442 C LEU A 91 -9.412 -1.131 -7.603 1.00 0.00 C ATOM 1443 O LEU A 91 -9.934 -0.248 -6.945 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.696 -3.498 -6.795 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.665 -2.816 -5.880 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.156 -3.727 -4.766 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.449 -2.299 -6.653 1.00 0.00 C ATOM 0 H LEU A 91 -9.460 -3.769 -9.098 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.611 -2.589 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.180 -4.292 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.158 -3.974 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.209 -1.980 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.432 -3.186 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.993 -4.042 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.679 -4.604 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.752 -1.826 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.955 -3.132 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.773 -1.570 -7.396 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.587 -0.928 -8.651 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.010 0.368 -8.968 1.00 0.00 C ATOM 1461 C VAL A 92 -9.095 1.336 -9.517 1.00 0.00 C ATOM 1462 O VAL A 92 -9.047 2.528 -9.261 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.843 0.178 -9.992 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.732 1.198 -9.904 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -6.034 -1.112 -9.918 1.00 0.00 C ATOM 0 H VAL A 92 -8.310 -1.669 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.609 0.817 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.457 0.237 -10.891 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.974 0.976 -10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.138 2.194 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.281 1.160 -8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.262 -1.102 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.567 -1.193 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.694 -1.965 -10.077 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.051 0.755 -10.281 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.190 1.440 -10.893 1.00 0.00 C ATOM 1477 C GLN A 93 -12.095 2.046 -9.804 1.00 0.00 C ATOM 1478 O GLN A 93 -12.494 3.198 -9.844 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.024 0.537 -11.843 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.196 -0.242 -11.215 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.972 -1.044 -12.272 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.051 -2.262 -12.246 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.539 -0.268 -13.207 1.00 0.00 N ATOM 0 H GLN A 93 -10.039 -0.243 -10.489 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.772 2.232 -11.514 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.422 1.162 -12.642 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.349 -0.182 -12.307 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.816 -0.919 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.871 0.454 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.430 0.745 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.080 -0.691 -13.961 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.314 1.195 -8.764 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.234 1.599 -7.705 1.00 0.00 C ATOM 1494 C HIS A 94 -12.595 2.719 -6.896 1.00 0.00 C ATOM 1495 O HIS A 94 -13.195 3.767 -6.696 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.536 0.406 -6.790 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.701 0.735 -5.883 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.606 1.452 -4.739 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -16.050 0.386 -6.070 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.856 1.537 -4.252 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.749 0.902 -5.033 1.00 0.00 N ATOM 0 H HIS A 94 -11.884 0.277 -8.651 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.168 1.948 -8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.768 -0.474 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.657 0.162 -6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.454 -0.188 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.114 2.055 -3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.754 0.825 -4.875 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.315 2.479 -6.539 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.625 3.529 -5.797 1.00 0.00 C ATOM 1511 C TYR A 95 -10.286 4.724 -6.719 1.00 0.00 C ATOM 1512 O TYR A 95 -9.869 5.771 -6.240 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.340 3.060 -5.138 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.581 2.042 -4.078 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.202 2.357 -2.879 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.156 0.761 -4.300 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.442 1.405 -1.918 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.323 -0.219 -3.362 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.968 0.094 -2.135 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.128 -0.823 -1.107 1.00 0.00 O ATOM 0 H TYR A 95 -10.781 1.633 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.319 3.829 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.679 2.641 -5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.824 3.917 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.505 3.377 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.678 0.518 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.982 1.655 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.968 -1.221 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.761 -1.689 -1.381 1.00 0.00 H new ATOM 1530 N SER A 96 -10.462 4.514 -8.058 1.00 0.00 N ATOM 1531 CA SER A 96 -10.168 5.621 -8.976 1.00 0.00 C ATOM 1532 C SER A 96 -11.328 6.615 -9.013 1.00 0.00 C ATOM 1533 O SER A 96 -11.215 7.635 -9.681 1.00 0.00 O ATOM 1534 CB SER A 96 -9.987 5.158 -10.471 1.00 0.00 C ATOM 1535 OG SER A 96 -8.649 4.762 -10.966 1.00 0.00 O ATOM 0 H SER A 96 -10.784 3.647 -8.489 1.00 0.00 H new ATOM 0 HA SER A 96 -9.244 6.056 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.656 4.312 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.341 5.969 -11.107 1.00 0.00 H new ATOM 0 HG SER A 96 -8.385 3.914 -10.552 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.447 6.306 -8.311 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.552 7.277 -8.363 1.00 0.00 C ATOM 1543 C LYS A 97 -13.733 8.009 -7.050 1.00 0.00 C ATOM 1544 O LYS A 97 -14.315 9.087 -7.009 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.880 6.536 -8.709 1.00 0.00 C ATOM 1546 CG LYS A 97 -15.254 6.302 -10.190 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.376 5.246 -10.830 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.569 5.148 -12.359 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.972 4.989 -12.760 1.00 0.00 N ATOM 0 H LYS A 97 -12.599 5.467 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.304 8.011 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.847 5.561 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.696 7.095 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.298 5.997 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.159 7.237 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.331 5.470 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.594 4.278 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.164 6.045 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.993 4.304 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.021 4.794 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.395 4.197 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.495 5.863 -12.549 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.251 7.357 -5.992 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.402 7.952 -4.698 1.00 0.00 C ATOM 1565 C LYS A 98 -12.308 7.330 -3.822 1.00 0.00 C ATOM 1566 O LYS A 98 -11.864 6.213 -4.069 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.832 7.644 -4.181 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.104 8.331 -2.854 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.910 7.663 -1.537 1.00 0.00 C ATOM 1570 CE LYS A 98 -14.385 8.724 -0.522 1.00 0.00 C ATOM 1571 NZ LYS A 98 -14.650 8.272 0.823 1.00 0.00 N ATOM 0 H LYS A 98 -12.775 6.455 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.293 9.037 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.565 7.971 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.954 6.567 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.486 9.229 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.143 8.659 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.849 7.235 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.200 6.841 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.315 8.879 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.871 9.684 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.354 8.896 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.018 7.299 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.770 8.294 1.376 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.932 8.112 -2.775 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.973 7.726 -1.761 1.00 0.00 C ATOM 1587 C GLY A 99 -11.333 6.359 -1.219 1.00 0.00 C ATOM 1588 O GLY A 99 -10.684 5.368 -1.523 1.00 0.00 O ATOM 0 H GLY A 99 -12.310 9.048 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.968 7.708 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.966 8.459 -0.954 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.316 6.427 -0.287 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.877 5.228 0.318 1.00 0.00 C ATOM 1594 C ASP A 100 -11.832 4.596 1.260 1.00 0.00 C ATOM 1595 O ASP A 100 -11.195 3.585 0.986 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.425 4.357 -0.834 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.100 3.055 -0.349 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -13.770 2.586 0.745 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -14.991 2.538 -1.023 1.00 0.00 O ATOM 0 H ASP A 100 -12.723 7.300 0.049 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.726 5.408 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.145 4.939 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.608 4.104 -1.509 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.670 5.361 2.361 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.747 5.023 3.426 1.00 0.00 C ATOM 1606 C GLY A 101 -9.276 4.954 2.987 1.00 0.00 C ATOM 1607 O GLY A 101 -8.441 4.509 3.766 1.00 0.00 O ATOM 0 H GLY A 101 -12.184 6.228 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.843 5.761 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.034 4.060 3.848 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.995 5.378 1.725 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.609 5.337 1.266 1.00 0.00 C ATOM 1613 C LEU A 102 -6.874 6.677 1.486 1.00 0.00 C ATOM 1614 O LEU A 102 -5.698 6.761 1.165 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.538 4.981 -0.242 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.746 3.499 -0.617 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -7.220 3.274 -2.046 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -7.041 2.518 0.342 1.00 0.00 C ATOM 0 H LEU A 102 -9.676 5.730 1.053 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.116 4.568 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.288 5.573 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.564 5.294 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.814 3.295 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.360 2.230 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.767 3.912 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.159 3.521 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.230 1.494 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.968 2.709 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.427 2.656 1.352 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.563 7.671 2.098 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.995 9.001 2.377 1.00 0.00 C ATOM 1632 C CYS A 103 -6.880 9.885 1.112 1.00 0.00 C ATOM 1633 O CYS A 103 -7.212 11.067 1.127 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.664 8.946 3.154 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.138 8.850 2.176 1.00 0.00 S ATOM 0 H CYS A 103 -8.529 7.567 2.410 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.718 9.482 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.605 9.832 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.695 8.082 3.818 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.244 7.896 1.299 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.392 9.246 0.030 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.218 9.853 -1.256 1.00 0.00 C ATOM 1643 C GLN A 104 -6.481 8.709 -2.206 1.00 0.00 C ATOM 1644 O GLN A 104 -5.839 7.667 -2.220 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.745 10.300 -1.364 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.516 11.732 -0.856 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.275 12.731 -1.998 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.431 12.441 -3.179 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -3.881 13.935 -1.556 1.00 0.00 N ATOM 0 H GLN A 104 -6.107 8.267 0.053 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.856 10.716 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.119 9.613 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.426 10.233 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.382 12.051 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.659 11.742 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.773 14.101 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.689 14.685 -2.221 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.486 9.038 -3.015 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.961 8.143 -4.033 1.00 0.00 C ATOM 1660 C LYS A 105 -6.899 8.055 -5.114 1.00 0.00 C ATOM 1661 O LYS A 105 -5.975 8.851 -5.207 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.332 8.571 -4.584 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.410 9.493 -5.780 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.261 10.948 -5.516 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.294 11.588 -4.576 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.096 13.035 -4.442 1.00 0.00 N ATOM 0 H LYS A 105 -7.982 9.929 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.124 7.153 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.877 7.662 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.874 9.050 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.637 9.196 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.371 9.333 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.269 11.118 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.299 11.473 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.297 11.393 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.228 11.121 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.814 13.426 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.148 13.221 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.185 13.485 -5.375 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.175 7.085 -5.958 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.310 6.800 -7.079 1.00 0.00 C ATOM 1682 C LEU A 106 -6.574 7.818 -8.217 1.00 0.00 C ATOM 1683 O LEU A 106 -7.684 7.875 -8.734 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.545 5.335 -7.451 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.258 4.342 -6.319 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.341 2.915 -6.863 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.892 4.575 -5.664 1.00 0.00 C ATOM 0 H LEU A 106 -7.993 6.480 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.251 6.919 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.580 5.215 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.917 5.084 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.011 4.496 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.137 2.207 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.340 2.735 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.605 2.785 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.740 3.845 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.107 4.466 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.856 5.580 -5.244 1.00 0.00 H new ATOM 1699 N THR A 107 -5.526 8.654 -8.513 1.00 0.00 N ATOM 1700 CA THR A 107 -5.646 9.715 -9.529 1.00 0.00 C ATOM 1701 C THR A 107 -4.960 9.328 -10.843 1.00 0.00 C ATOM 1702 O THR A 107 -5.651 8.912 -11.767 1.00 0.00 O ATOM 1703 CB THR A 107 -5.276 11.172 -9.046 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.835 11.565 -9.172 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.890 11.324 -7.621 1.00 0.00 C ATOM 0 H THR A 107 -4.612 8.603 -8.063 1.00 0.00 H new ATOM 0 HA THR A 107 -6.717 9.785 -9.722 1.00 0.00 H new ATOM 0 HB THR A 107 -5.709 11.904 -9.727 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.717 12.482 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.666 12.317 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.970 11.190 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.463 10.571 -6.959 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.626 9.514 -10.921 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.938 9.152 -12.166 1.00 0.00 C ATOM 1715 C LEU A 108 -1.917 8.043 -11.884 1.00 0.00 C ATOM 1716 O LEU A 108 -1.225 8.118 -10.885 1.00 0.00 O ATOM 1717 CB LEU A 108 -2.309 10.378 -12.820 1.00 0.00 C ATOM 1718 CG LEU A 108 -3.365 11.356 -13.390 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -3.293 12.746 -12.775 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -3.248 11.505 -14.900 1.00 0.00 C ATOM 0 H LEU A 108 -3.036 9.891 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.662 8.763 -12.882 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.693 10.900 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.646 10.057 -13.623 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.322 10.905 -13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.060 13.381 -13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.457 12.677 -11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.310 13.178 -12.965 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.008 12.200 -15.257 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.259 11.888 -15.152 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.393 10.534 -15.374 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.769 7.029 -12.787 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.807 5.962 -12.526 1.00 0.00 C ATOM 1734 C PRO A 109 0.597 6.292 -12.998 1.00 0.00 C ATOM 1735 O PRO A 109 1.082 5.879 -14.039 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.315 4.779 -13.360 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.267 5.366 -14.405 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.611 6.794 -13.951 1.00 0.00 C ATOM 0 HA PRO A 109 -0.740 5.778 -11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.487 4.257 -13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.829 4.052 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.799 5.377 -15.389 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.169 4.760 -14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.407 7.519 -14.739 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.668 6.885 -13.699 1.00 0.00 H new ATOM 1746 N CYS A 110 1.204 7.059 -12.074 1.00 0.00 N ATOM 1747 CA CYS A 110 2.583 7.539 -12.126 1.00 0.00 C ATOM 1748 C CYS A 110 3.090 7.825 -13.554 1.00 0.00 C ATOM 1749 O CYS A 110 4.157 7.351 -13.919 1.00 0.00 O ATOM 1750 CB CYS A 110 3.495 6.522 -11.434 1.00 0.00 C ATOM 1751 SG CYS A 110 5.041 7.288 -10.882 1.00 0.00 S ATOM 0 H CYS A 110 0.717 7.372 -11.234 1.00 0.00 H new ATOM 0 HA CYS A 110 2.606 8.497 -11.606 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.976 6.089 -10.579 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.717 5.704 -12.120 1.00 0.00 H new ATOM 0 HG CYS A 110 5.784 6.394 -10.300 1.00 0.00 H new ATOM 1757 N VAL A 111 2.261 8.564 -14.343 1.00 0.00 N ATOM 1758 CA VAL A 111 2.585 8.895 -15.739 1.00 0.00 C ATOM 1759 C VAL A 111 2.944 7.581 -16.492 1.00 0.00 C ATOM 1760 O VAL A 111 2.461 6.512 -16.154 1.00 0.00 O ATOM 1761 CB VAL A 111 3.658 10.014 -15.814 1.00 0.00 C ATOM 1762 CG1 VAL A 111 5.052 9.592 -15.302 1.00 0.00 C ATOM 1763 CG2 VAL A 111 3.757 10.651 -17.214 1.00 0.00 C ATOM 0 H VAL A 111 1.366 8.937 -14.026 1.00 0.00 H new ATOM 0 HA VAL A 111 1.723 9.323 -16.251 1.00 0.00 H new ATOM 0 HB VAL A 111 3.297 10.775 -15.122 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.741 10.432 -15.390 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.980 9.289 -14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.421 8.757 -15.897 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.523 11.427 -17.207 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.022 9.886 -17.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.797 11.092 -17.482 1.00 0.00 H new ATOM 1773 N ASN A 112 3.826 7.703 -17.500 1.00 0.00 N ATOM 1774 CA ASN A 112 4.284 6.543 -18.258 1.00 0.00 C ATOM 1775 C ASN A 112 5.358 7.014 -19.256 1.00 0.00 C ATOM 1776 O ASN A 112 5.062 7.426 -20.371 1.00 0.00 O ATOM 1777 CB ASN A 112 3.113 5.897 -19.027 1.00 0.00 C ATOM 1778 CG ASN A 112 3.539 4.553 -19.620 1.00 0.00 C ATOM 1779 OD1 ASN A 112 4.504 3.937 -19.184 1.00 0.00 O ATOM 1780 ND2 ASN A 112 2.757 4.145 -20.629 1.00 0.00 N ATOM 0 H ASN A 112 4.229 8.590 -17.801 1.00 0.00 H new ATOM 0 HA ASN A 112 4.693 5.799 -17.574 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.265 5.753 -18.357 1.00 0.00 H new ATOM 0 HB3 ASN A 112 2.781 6.564 -19.823 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.948 3.258 -21.096 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.971 4.721 -20.930 1.00 0.00 H new ATOM 1787 N LEU A 113 6.616 6.925 -18.788 1.00 0.00 N ATOM 1788 CA LEU A 113 7.732 7.329 -19.637 1.00 0.00 C ATOM 1789 C LEU A 113 8.007 6.238 -20.685 1.00 0.00 C ATOM 1790 O LEU A 113 8.379 5.123 -20.345 1.00 0.00 O ATOM 1791 CB LEU A 113 8.976 7.539 -18.763 1.00 0.00 C ATOM 1792 CG LEU A 113 10.165 8.177 -19.513 1.00 0.00 C ATOM 1793 CD1 LEU A 113 11.088 8.922 -18.543 1.00 0.00 C ATOM 1794 CD2 LEU A 113 10.955 7.141 -20.335 1.00 0.00 C ATOM 0 H LEU A 113 6.872 6.589 -17.860 1.00 0.00 H new ATOM 0 HA LEU A 113 7.486 8.258 -20.151 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.711 8.172 -17.916 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.289 6.577 -18.356 1.00 0.00 H new ATOM 0 HG LEU A 113 9.750 8.898 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.918 9.362 -19.096 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.528 9.710 -18.041 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.476 8.224 -17.801 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.782 7.635 -20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.347 6.371 -19.670 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.296 6.682 -21.072 1.00 0.00 H new ATOM 1806 N ALA A 114 7.788 6.634 -21.958 1.00 0.00 N ATOM 1807 CA ALA A 114 8.006 5.719 -23.077 1.00 0.00 C ATOM 1808 C ALA A 114 9.524 5.542 -23.341 1.00 0.00 C ATOM 1809 O ALA A 114 10.123 4.636 -22.763 1.00 0.00 O ATOM 1810 CB ALA A 114 7.263 6.239 -24.318 1.00 0.00 C ATOM 1811 OXT ALA A 114 10.092 6.317 -24.110 1.00 0.00 O ATOM 0 H ALA A 114 7.467 7.565 -22.224 1.00 0.00 H new ATOM 0 HA ALA A 114 7.605 4.735 -22.832 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.426 5.556 -25.152 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.196 6.302 -24.104 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.639 7.228 -24.580 1.00 0.00 H new TER 1817 ALA A 114