USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 828 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 83 ASN : amide:sc= -0.231 X(o=0.82,f=0.94) USER MOD Set 1.2: A 87 SER OG : rot 51:sc= 1.05 USER MOD Set 2.1: A 31 CYS SG : rot 180:sc= -4.27! USER MOD Set 2.2: A 52 SER OG : rot 132:sc= 0.983 USER MOD Set 2.3: A 54 SER OG : rot -135:sc= 0.538 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0979 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 56:sc= 0.511 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.189 K(o=-0.19,f=-0.95) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -109:sc= -0.0476 (180deg=-0.394) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -0.0309 (180deg=-0.109) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 53:sc= 0.126 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= -0.238 (180deg=-2.51!) USER MOD Single : A 46 SER OG : rot 180:sc= -1.26 USER MOD Single : A 47 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.47! C(o=-5.5!,f=-6.8!) USER MOD Single : A 69 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.41) USER MOD Single : A 78 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-0.83) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -1.29 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -72:sc= -2.14! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 39:sc= 0.0481 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.420 12.016 -32.413 1.00 0.00 N ATOM 2 CA GLY A 1 16.052 11.565 -32.221 1.00 0.00 C ATOM 3 C GLY A 1 15.988 10.428 -31.199 1.00 0.00 C ATOM 4 O GLY A 1 17.016 9.863 -30.828 1.00 0.00 O ATOM 0 H1 GLY A 1 17.556 12.928 -31.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.076 11.313 -32.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.608 12.130 -33.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.435 12.398 -31.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.640 11.228 -33.172 1.00 0.00 H new ATOM 8 N SER A 2 14.771 10.127 -30.771 1.00 0.00 N ATOM 9 CA SER A 2 14.559 9.069 -29.799 1.00 0.00 C ATOM 10 C SER A 2 13.720 7.949 -30.418 1.00 0.00 C ATOM 11 O SER A 2 13.120 8.131 -31.477 1.00 0.00 O ATOM 12 CB SER A 2 13.879 9.607 -28.538 1.00 0.00 C ATOM 13 OG SER A 2 14.677 9.408 -27.375 1.00 0.00 O ATOM 0 H SER A 2 13.921 10.598 -31.080 1.00 0.00 H new ATOM 0 HA SER A 2 15.532 8.669 -29.512 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.677 10.671 -28.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.917 9.113 -28.406 1.00 0.00 H new ATOM 0 HG SER A 2 14.209 9.766 -26.592 1.00 0.00 H new ATOM 19 N SER A 3 13.705 6.816 -29.732 1.00 0.00 N ATOM 20 CA SER A 3 12.949 5.667 -30.201 1.00 0.00 C ATOM 21 C SER A 3 12.663 4.717 -29.037 1.00 0.00 C ATOM 22 O SER A 3 13.379 4.723 -28.036 1.00 0.00 O ATOM 23 CB SER A 3 13.699 4.932 -31.314 1.00 0.00 C ATOM 24 OG SER A 3 12.813 4.408 -32.299 1.00 0.00 O ATOM 0 H SER A 3 14.204 6.669 -28.855 1.00 0.00 H new ATOM 0 HA SER A 3 12.004 6.024 -30.610 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.405 5.615 -31.788 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.283 4.119 -30.882 1.00 0.00 H new ATOM 0 HG SER A 3 13.330 3.948 -32.993 1.00 0.00 H new ATOM 30 N GLY A 4 11.615 3.924 -29.205 1.00 0.00 N ATOM 31 CA GLY A 4 11.226 2.971 -28.180 1.00 0.00 C ATOM 32 C GLY A 4 10.186 1.984 -28.715 1.00 0.00 C ATOM 33 O GLY A 4 9.687 2.146 -29.828 1.00 0.00 O ATOM 0 H GLY A 4 11.023 3.922 -30.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.104 2.427 -27.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.819 3.503 -27.320 1.00 0.00 H new ATOM 37 N SER A 5 9.891 0.984 -27.898 1.00 0.00 N ATOM 38 CA SER A 5 8.920 -0.029 -28.276 1.00 0.00 C ATOM 39 C SER A 5 8.740 -1.032 -27.135 1.00 0.00 C ATOM 40 O SER A 5 9.667 -1.766 -26.796 1.00 0.00 O ATOM 41 CB SER A 5 9.347 -0.752 -29.555 1.00 0.00 C ATOM 42 OG SER A 5 8.617 -0.299 -30.692 1.00 0.00 O ATOM 0 H SER A 5 10.307 0.853 -26.976 1.00 0.00 H new ATOM 0 HA SER A 5 7.968 0.466 -28.471 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.413 -0.595 -29.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.198 -1.825 -29.432 1.00 0.00 H new ATOM 0 HG SER A 5 8.714 0.673 -30.777 1.00 0.00 H new ATOM 48 N SER A 6 7.539 -1.032 -26.573 1.00 0.00 N ATOM 49 CA SER A 6 7.225 -1.933 -25.477 1.00 0.00 C ATOM 50 C SER A 6 6.326 -3.067 -25.973 1.00 0.00 C ATOM 51 O SER A 6 6.231 -4.113 -25.334 1.00 0.00 O ATOM 52 CB SER A 6 6.550 -1.185 -24.326 1.00 0.00 C ATOM 53 OG SER A 6 6.649 -1.898 -23.096 1.00 0.00 O ATOM 0 H SER A 6 6.772 -0.422 -26.857 1.00 0.00 H new ATOM 0 HA SER A 6 8.158 -2.355 -25.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.009 -0.203 -24.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.500 -1.021 -24.567 1.00 0.00 H new ATOM 0 HG SER A 6 6.208 -1.387 -22.385 1.00 0.00 H new ATOM 59 N GLY A 7 5.690 -2.821 -27.109 1.00 0.00 N ATOM 60 CA GLY A 7 4.802 -3.809 -27.698 1.00 0.00 C ATOM 61 C GLY A 7 3.338 -3.478 -27.399 1.00 0.00 C ATOM 62 O GLY A 7 3.046 -2.488 -26.729 1.00 0.00 O ATOM 0 H GLY A 7 5.772 -1.952 -27.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.957 -3.846 -28.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.042 -4.798 -27.307 1.00 0.00 H new ATOM 66 N SER A 8 2.457 -4.325 -27.910 1.00 0.00 N ATOM 67 CA SER A 8 1.031 -4.134 -27.706 1.00 0.00 C ATOM 68 C SER A 8 0.372 -5.466 -27.340 1.00 0.00 C ATOM 69 O SER A 8 0.613 -6.482 -27.990 1.00 0.00 O ATOM 70 CB SER A 8 0.370 -3.541 -28.953 1.00 0.00 C ATOM 71 OG SER A 8 -0.625 -2.576 -28.622 1.00 0.00 O ATOM 0 H SER A 8 2.703 -5.145 -28.465 1.00 0.00 H new ATOM 0 HA SER A 8 0.895 -3.430 -26.885 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.131 -3.077 -29.581 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.082 -4.341 -29.539 1.00 0.00 H new ATOM 0 HG SER A 8 -1.022 -2.220 -29.444 1.00 0.00 H new ATOM 77 N PRO A 9 -0.467 -5.417 -26.271 1.00 0.00 N ATOM 78 CA PRO A 9 -1.162 -6.607 -25.810 1.00 0.00 C ATOM 79 C PRO A 9 -2.319 -6.964 -26.746 1.00 0.00 C ATOM 80 O PRO A 9 -2.556 -6.274 -27.737 1.00 0.00 O ATOM 81 CB PRO A 9 -1.621 -6.273 -24.400 1.00 0.00 C ATOM 82 CG PRO A 9 -1.575 -4.757 -24.295 1.00 0.00 C ATOM 83 CD PRO A 9 -0.777 -4.232 -25.477 1.00 0.00 C ATOM 0 HA PRO A 9 -0.525 -7.492 -25.809 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.629 -6.647 -24.218 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.971 -6.736 -23.658 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.583 -4.343 -24.301 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.112 -4.453 -23.356 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.353 -3.509 -26.054 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.131 -3.727 -25.148 1.00 0.00 H new ATOM 91 N GLY A 10 -3.008 -8.041 -26.400 1.00 0.00 N ATOM 92 CA GLY A 10 -4.133 -8.498 -27.197 1.00 0.00 C ATOM 93 C GLY A 10 -5.273 -8.993 -26.303 1.00 0.00 C ATOM 94 O GLY A 10 -5.356 -10.182 -26.000 1.00 0.00 O ATOM 0 H GLY A 10 -2.809 -8.611 -25.578 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.489 -7.685 -27.830 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.811 -9.301 -27.860 1.00 0.00 H new ATOM 98 N ASN A 11 -6.121 -8.056 -25.908 1.00 0.00 N ATOM 99 CA ASN A 11 -7.252 -8.382 -25.055 1.00 0.00 C ATOM 100 C ASN A 11 -8.080 -7.119 -24.808 1.00 0.00 C ATOM 101 O ASN A 11 -7.587 -6.006 -24.983 1.00 0.00 O ATOM 102 CB ASN A 11 -6.784 -8.913 -23.699 1.00 0.00 C ATOM 103 CG ASN A 11 -6.029 -7.836 -22.919 1.00 0.00 C ATOM 104 OD1 ASN A 11 -5.036 -7.288 -23.369 1.00 0.00 O ATOM 105 ND2 ASN A 11 -6.553 -7.563 -21.727 1.00 0.00 N ATOM 0 H ASN A 11 -6.048 -7.071 -26.162 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.844 -9.147 -25.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.644 -9.251 -23.120 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.139 -9.779 -23.847 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.121 -6.858 -21.130 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.386 -8.059 -21.411 1.00 0.00 H new ATOM 112 N ARG A 12 -9.323 -7.335 -24.405 1.00 0.00 N ATOM 113 CA ARG A 12 -10.224 -6.228 -24.132 1.00 0.00 C ATOM 114 C ARG A 12 -10.619 -6.217 -22.654 1.00 0.00 C ATOM 115 O ARG A 12 -11.729 -6.611 -22.301 1.00 0.00 O ATOM 116 CB ARG A 12 -11.488 -6.322 -24.990 1.00 0.00 C ATOM 117 CG ARG A 12 -11.406 -5.379 -26.192 1.00 0.00 C ATOM 118 CD ARG A 12 -10.918 -6.121 -27.438 1.00 0.00 C ATOM 119 NE ARG A 12 -11.937 -6.035 -28.508 1.00 0.00 N ATOM 120 CZ ARG A 12 -11.781 -6.549 -29.736 1.00 0.00 C ATOM 121 NH1 ARG A 12 -10.648 -7.188 -30.056 1.00 0.00 N ATOM 122 NH2 ARG A 12 -12.759 -6.424 -30.644 1.00 0.00 N ATOM 0 H ARG A 12 -9.728 -8.260 -24.261 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.699 -5.305 -24.378 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.622 -7.347 -25.336 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.361 -6.073 -24.387 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.386 -4.943 -26.384 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.729 -4.555 -25.967 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.978 -5.690 -27.784 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.720 -7.165 -27.196 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.812 -5.555 -28.298 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.904 -7.284 -29.365 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.530 -7.579 -30.991 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.622 -5.938 -30.400 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.640 -6.815 -31.579 1.00 0.00 H new ATOM 136 N GLU A 13 -9.688 -5.761 -21.829 1.00 0.00 N ATOM 137 CA GLU A 13 -9.924 -5.693 -20.397 1.00 0.00 C ATOM 138 C GLU A 13 -8.913 -4.755 -19.735 1.00 0.00 C ATOM 139 O GLU A 13 -7.844 -4.500 -20.287 1.00 0.00 O ATOM 140 CB GLU A 13 -9.873 -7.087 -19.766 1.00 0.00 C ATOM 141 CG GLU A 13 -11.267 -7.543 -19.330 1.00 0.00 C ATOM 142 CD GLU A 13 -11.466 -7.335 -17.827 1.00 0.00 C ATOM 143 OE1 GLU A 13 -11.733 -6.176 -17.445 1.00 0.00 O ATOM 144 OE2 GLU A 13 -11.347 -8.342 -17.095 1.00 0.00 O ATOM 0 H GLU A 13 -8.768 -5.435 -22.125 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.924 -5.291 -20.233 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.461 -7.799 -20.481 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.204 -7.076 -18.905 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.025 -6.986 -19.881 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.403 -8.596 -19.576 1.00 0.00 H new ATOM 151 N ASN A 14 -9.288 -4.266 -18.562 1.00 0.00 N ATOM 152 CA ASN A 14 -8.427 -3.361 -17.819 1.00 0.00 C ATOM 153 C ASN A 14 -8.092 -3.982 -16.462 1.00 0.00 C ATOM 154 O ASN A 14 -8.790 -3.746 -15.478 1.00 0.00 O ATOM 155 CB ASN A 14 -9.123 -2.022 -17.568 1.00 0.00 C ATOM 156 CG ASN A 14 -8.369 -0.876 -18.247 1.00 0.00 C ATOM 157 OD1 ASN A 14 -7.156 -0.888 -18.376 1.00 0.00 O ATOM 158 ND2 ASN A 14 -9.153 0.111 -18.671 1.00 0.00 N ATOM 0 H ASN A 14 -10.176 -4.479 -18.108 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.525 -3.194 -18.407 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.145 -2.063 -17.945 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.186 -1.836 -16.496 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.745 0.922 -19.137 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.162 0.057 -18.531 1.00 0.00 H new ATOM 165 N LYS A 15 -7.022 -4.764 -16.453 1.00 0.00 N ATOM 166 CA LYS A 15 -6.585 -5.420 -15.232 1.00 0.00 C ATOM 167 C LYS A 15 -5.147 -5.002 -14.920 1.00 0.00 C ATOM 168 O LYS A 15 -4.492 -4.358 -15.738 1.00 0.00 O ATOM 169 CB LYS A 15 -6.776 -6.934 -15.341 1.00 0.00 C ATOM 170 CG LYS A 15 -8.256 -7.309 -15.241 1.00 0.00 C ATOM 171 CD LYS A 15 -8.655 -7.584 -13.790 1.00 0.00 C ATOM 172 CE LYS A 15 -10.148 -7.325 -13.573 1.00 0.00 C ATOM 173 NZ LYS A 15 -10.837 -8.571 -13.171 1.00 0.00 N ATOM 0 H LYS A 15 -6.445 -4.958 -17.272 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.199 -5.104 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.371 -7.288 -16.289 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.217 -7.433 -14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.867 -6.501 -15.643 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.453 -8.191 -15.850 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.421 -8.617 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.071 -6.950 -13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.283 -6.564 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.593 -6.936 -14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.849 -8.378 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.723 -9.287 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.424 -8.926 -12.285 1.00 0.00 H new ATOM 187 N GLU A 16 -4.697 -5.386 -13.734 1.00 0.00 N ATOM 188 CA GLU A 16 -3.348 -5.060 -13.304 1.00 0.00 C ATOM 189 C GLU A 16 -3.000 -3.622 -13.695 1.00 0.00 C ATOM 190 O GLU A 16 -2.455 -3.382 -14.771 1.00 0.00 O ATOM 191 CB GLU A 16 -2.333 -6.047 -13.884 1.00 0.00 C ATOM 192 CG GLU A 16 -2.228 -7.300 -13.014 1.00 0.00 C ATOM 193 CD GLU A 16 -1.577 -8.450 -13.785 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.329 -8.455 -13.850 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.343 -9.299 -14.292 1.00 0.00 O ATOM 0 H GLU A 16 -5.243 -5.920 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.304 -5.142 -12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.629 -6.326 -14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.356 -5.568 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.643 -7.079 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.221 -7.599 -12.679 1.00 0.00 H new ATOM 202 N LYS A 17 -3.329 -2.703 -12.799 1.00 0.00 N ATOM 203 CA LYS A 17 -3.057 -1.295 -13.036 1.00 0.00 C ATOM 204 C LYS A 17 -1.931 -0.834 -12.109 1.00 0.00 C ATOM 205 O LYS A 17 -1.869 -1.243 -10.951 1.00 0.00 O ATOM 206 CB LYS A 17 -4.340 -0.472 -12.902 1.00 0.00 C ATOM 207 CG LYS A 17 -4.756 -0.339 -11.435 1.00 0.00 C ATOM 208 CD LYS A 17 -5.559 0.943 -11.207 1.00 0.00 C ATOM 209 CE LYS A 17 -7.038 0.629 -10.975 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.641 1.622 -10.058 1.00 0.00 N ATOM 0 H LYS A 17 -3.781 -2.906 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.712 -1.141 -14.058 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.188 0.518 -13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.141 -0.946 -13.469 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.353 -1.203 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.869 -0.335 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.158 1.479 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.454 1.601 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.570 0.633 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.142 -0.372 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.837 1.173 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.981 2.415 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.529 1.977 -10.466 1.00 0.00 H new ATOM 224 N LYS A 18 -1.069 0.012 -12.654 1.00 0.00 N ATOM 225 CA LYS A 18 0.052 0.533 -11.890 1.00 0.00 C ATOM 226 C LYS A 18 -0.312 1.912 -11.336 1.00 0.00 C ATOM 227 O LYS A 18 -0.463 2.869 -12.094 1.00 0.00 O ATOM 228 CB LYS A 18 1.326 0.527 -12.736 1.00 0.00 C ATOM 229 CG LYS A 18 2.567 0.711 -11.860 1.00 0.00 C ATOM 230 CD LYS A 18 3.363 1.945 -12.290 1.00 0.00 C ATOM 231 CE LYS A 18 4.248 1.634 -13.498 1.00 0.00 C ATOM 232 NZ LYS A 18 5.428 0.840 -13.086 1.00 0.00 N ATOM 0 H LYS A 18 -1.124 0.349 -13.615 1.00 0.00 H new ATOM 0 HA LYS A 18 0.262 -0.110 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.399 -0.413 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.278 1.325 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.268 0.812 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.198 -0.175 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.678 2.756 -12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.981 2.290 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.675 1.084 -14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.573 2.563 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.632 0.121 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.250 1.468 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.232 0.372 -12.178 1.00 0.00 H new ATOM 246 N VAL A 19 -0.441 1.971 -10.019 1.00 0.00 N ATOM 247 CA VAL A 19 -0.784 3.217 -9.355 1.00 0.00 C ATOM 248 C VAL A 19 0.383 3.655 -8.468 1.00 0.00 C ATOM 249 O VAL A 19 0.737 2.962 -7.515 1.00 0.00 O ATOM 250 CB VAL A 19 -2.095 3.054 -8.582 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.300 3.343 -9.479 1.00 0.00 C ATOM 252 CG2 VAL A 19 -2.195 1.660 -7.960 1.00 0.00 C ATOM 0 H VAL A 19 -0.314 1.175 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.950 4.007 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.099 3.783 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.219 3.220 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.239 4.365 -9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.302 2.650 -10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.136 1.571 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.158 0.907 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.363 1.508 -7.272 1.00 0.00 H new ATOM 262 N PHE A 20 0.948 4.803 -8.812 1.00 0.00 N ATOM 263 CA PHE A 20 2.068 5.341 -8.058 1.00 0.00 C ATOM 264 C PHE A 20 1.588 6.333 -6.997 1.00 0.00 C ATOM 265 O PHE A 20 1.007 7.367 -7.326 1.00 0.00 O ATOM 266 CB PHE A 20 2.966 6.075 -9.056 1.00 0.00 C ATOM 267 CG PHE A 20 4.463 5.898 -8.792 1.00 0.00 C ATOM 268 CD1 PHE A 20 4.980 6.213 -7.574 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.276 5.426 -9.774 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.369 6.049 -7.328 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.665 5.262 -9.529 1.00 0.00 C ATOM 272 CZ PHE A 20 7.182 5.577 -8.311 1.00 0.00 C ATOM 0 H PHE A 20 0.651 5.375 -9.602 1.00 0.00 H new ATOM 0 HA PHE A 20 2.597 4.535 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.740 5.720 -10.062 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.726 7.138 -9.032 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.334 6.588 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.865 5.176 -10.741 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.780 6.299 -6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.311 4.887 -10.309 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.238 5.452 -8.124 1.00 0.00 H new ATOM 282 N ILE A 21 1.848 5.985 -5.746 1.00 0.00 N ATOM 283 CA ILE A 21 1.451 6.832 -4.635 1.00 0.00 C ATOM 284 C ILE A 21 2.624 7.729 -4.237 1.00 0.00 C ATOM 285 O ILE A 21 3.553 7.281 -3.567 1.00 0.00 O ATOM 286 CB ILE A 21 0.907 5.984 -3.483 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.426 5.334 -3.861 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.799 6.809 -2.198 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.514 6.391 -4.060 1.00 0.00 C ATOM 0 H ILE A 21 2.329 5.127 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 21 0.634 7.489 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 21 1.614 5.178 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.305 4.754 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.729 4.637 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.410 6.183 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.785 7.183 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.125 7.650 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.451 5.903 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.649 6.953 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.218 7.072 -4.858 1.00 0.00 H new ATOM 301 N SER A 22 2.544 8.980 -4.667 1.00 0.00 N ATOM 302 CA SER A 22 3.588 9.944 -4.365 1.00 0.00 C ATOM 303 C SER A 22 3.275 10.657 -3.048 1.00 0.00 C ATOM 304 O SER A 22 2.314 11.420 -2.964 1.00 0.00 O ATOM 305 CB SER A 22 3.742 10.962 -5.497 1.00 0.00 C ATOM 306 OG SER A 22 4.239 10.363 -6.690 1.00 0.00 O ATOM 0 H SER A 22 1.772 9.348 -5.222 1.00 0.00 H new ATOM 0 HA SER A 22 4.532 9.407 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.777 11.427 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.419 11.756 -5.181 1.00 0.00 H new ATOM 0 HG SER A 22 4.321 11.045 -7.389 1.00 0.00 H new ATOM 312 N LEU A 23 4.106 10.385 -2.053 1.00 0.00 N ATOM 313 CA LEU A 23 3.931 10.991 -0.744 1.00 0.00 C ATOM 314 C LEU A 23 4.710 12.307 -0.688 1.00 0.00 C ATOM 315 O LEU A 23 5.748 12.390 -0.034 1.00 0.00 O ATOM 316 CB LEU A 23 4.313 10.003 0.360 1.00 0.00 C ATOM 317 CG LEU A 23 3.149 9.320 1.081 1.00 0.00 C ATOM 318 CD1 LEU A 23 2.982 7.875 0.606 1.00 0.00 C ATOM 319 CD2 LEU A 23 3.316 9.409 2.599 1.00 0.00 C ATOM 0 H LEU A 23 4.903 9.753 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 23 2.882 11.233 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.948 9.231 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.914 10.531 1.101 1.00 0.00 H new ATOM 0 HG LEU A 23 2.231 9.850 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.148 7.412 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.783 7.865 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.896 7.317 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.475 8.916 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.244 8.919 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.348 10.456 2.901 1.00 0.00 H new ATOM 331 N VAL A 24 4.178 13.302 -1.383 1.00 0.00 N ATOM 332 CA VAL A 24 4.810 14.610 -1.420 1.00 0.00 C ATOM 333 C VAL A 24 3.761 15.687 -1.137 1.00 0.00 C ATOM 334 O VAL A 24 2.844 15.889 -1.931 1.00 0.00 O ATOM 335 CB VAL A 24 5.524 14.808 -2.759 1.00 0.00 C ATOM 336 CG1 VAL A 24 6.404 13.601 -3.095 1.00 0.00 C ATOM 337 CG2 VAL A 24 4.521 15.084 -3.880 1.00 0.00 C ATOM 0 H VAL A 24 3.317 13.229 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 24 5.573 14.688 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 24 6.172 15.680 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.900 13.767 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.154 13.469 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.785 12.706 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.055 15.221 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.836 14.241 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.956 15.987 -3.649 1.00 0.00 H new ATOM 347 N GLY A 25 3.932 16.350 -0.003 1.00 0.00 N ATOM 348 CA GLY A 25 3.011 17.402 0.395 1.00 0.00 C ATOM 349 C GLY A 25 2.514 17.183 1.825 1.00 0.00 C ATOM 350 O GLY A 25 3.223 17.483 2.785 1.00 0.00 O ATOM 0 H GLY A 25 4.694 16.180 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.506 18.370 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.163 17.426 -0.289 1.00 0.00 H new ATOM 354 N SER A 26 1.300 16.663 1.923 1.00 0.00 N ATOM 355 CA SER A 26 0.699 16.401 3.220 1.00 0.00 C ATOM 356 C SER A 26 -0.378 15.323 3.090 1.00 0.00 C ATOM 357 O SER A 26 -1.564 15.602 3.259 1.00 0.00 O ATOM 358 CB SER A 26 0.104 17.677 3.819 1.00 0.00 C ATOM 359 OG SER A 26 -0.775 18.333 2.910 1.00 0.00 O ATOM 0 H SER A 26 0.715 16.416 1.125 1.00 0.00 H new ATOM 0 HA SER A 26 1.479 16.046 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.437 17.431 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.909 18.356 4.099 1.00 0.00 H new ATOM 0 HG SER A 26 -1.448 17.697 2.590 1.00 0.00 H new ATOM 365 N ARG A 27 0.073 14.113 2.790 1.00 0.00 N ATOM 366 CA ARG A 27 -0.838 12.992 2.635 1.00 0.00 C ATOM 367 C ARG A 27 -0.077 11.670 2.755 1.00 0.00 C ATOM 368 O ARG A 27 0.909 11.451 2.053 1.00 0.00 O ATOM 369 CB ARG A 27 -1.549 13.043 1.281 1.00 0.00 C ATOM 370 CG ARG A 27 -3.062 13.182 1.461 1.00 0.00 C ATOM 371 CD ARG A 27 -3.767 13.291 0.107 1.00 0.00 C ATOM 372 NE ARG A 27 -4.425 14.610 -0.016 1.00 0.00 N ATOM 373 CZ ARG A 27 -5.617 14.908 0.519 1.00 0.00 C ATOM 374 NH1 ARG A 27 -6.289 13.981 1.216 1.00 0.00 N ATOM 375 NH2 ARG A 27 -6.138 16.132 0.356 1.00 0.00 N ATOM 0 H ARG A 27 1.057 13.885 2.650 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.584 13.059 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.170 13.883 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.328 12.137 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.447 12.321 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.281 14.065 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.046 13.159 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.506 12.496 0.007 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.941 15.338 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.893 13.049 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.196 14.208 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.627 16.837 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.045 16.358 0.763 1.00 0.00 H new ATOM 389 N GLY A 28 -0.565 10.823 3.649 1.00 0.00 N ATOM 390 CA GLY A 28 0.057 9.528 3.870 1.00 0.00 C ATOM 391 C GLY A 28 -0.937 8.393 3.619 1.00 0.00 C ATOM 392 O GLY A 28 -1.157 7.551 4.489 1.00 0.00 O ATOM 0 H GLY A 28 -1.384 11.008 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.917 9.416 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.431 9.470 4.892 1.00 0.00 H new ATOM 396 N LEU A 29 -1.512 8.405 2.425 1.00 0.00 N ATOM 397 CA LEU A 29 -2.478 7.387 2.049 1.00 0.00 C ATOM 398 C LEU A 29 -3.720 7.516 2.933 1.00 0.00 C ATOM 399 O LEU A 29 -3.657 7.273 4.137 1.00 0.00 O ATOM 400 CB LEU A 29 -1.836 5.999 2.090 1.00 0.00 C ATOM 401 CG LEU A 29 -2.361 4.986 1.070 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.487 4.969 -0.185 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.494 3.596 1.696 1.00 0.00 C ATOM 0 H LEU A 29 -1.327 9.104 1.705 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.803 7.533 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.762 6.113 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.976 5.585 3.089 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.359 5.297 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.882 4.241 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.488 5.958 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.467 4.696 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.869 2.895 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.519 3.262 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.189 3.640 2.534 1.00 0.00 H new ATOM 415 N GLY A 30 -4.819 7.899 2.301 1.00 0.00 N ATOM 416 CA GLY A 30 -6.074 8.064 3.014 1.00 0.00 C ATOM 417 C GLY A 30 -7.021 6.895 2.736 1.00 0.00 C ATOM 418 O GLY A 30 -8.217 7.096 2.527 1.00 0.00 O ATOM 0 H GLY A 30 -4.867 8.100 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.882 8.134 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.547 8.999 2.713 1.00 0.00 H new ATOM 422 N CYS A 31 -6.451 5.699 2.741 1.00 0.00 N ATOM 423 CA CYS A 31 -7.230 4.498 2.492 1.00 0.00 C ATOM 424 C CYS A 31 -6.802 3.430 3.501 1.00 0.00 C ATOM 425 O CYS A 31 -5.627 3.340 3.854 1.00 0.00 O ATOM 426 CB CYS A 31 -7.076 4.014 1.048 1.00 0.00 C ATOM 427 SG CYS A 31 -5.321 3.625 0.702 1.00 0.00 S ATOM 0 H CYS A 31 -5.459 5.536 2.914 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.290 4.715 2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.692 3.130 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.430 4.781 0.359 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.202 3.213 -0.525 1.00 0.00 H new ATOM 433 N SER A 32 -7.779 2.648 3.936 1.00 0.00 N ATOM 434 CA SER A 32 -7.518 1.590 4.897 1.00 0.00 C ATOM 435 C SER A 32 -7.156 0.296 4.166 1.00 0.00 C ATOM 436 O SER A 32 -7.766 -0.040 3.152 1.00 0.00 O ATOM 437 CB SER A 32 -8.726 1.364 5.808 1.00 0.00 C ATOM 438 OG SER A 32 -8.364 1.370 7.186 1.00 0.00 O ATOM 0 H SER A 32 -8.752 2.726 3.641 1.00 0.00 H new ATOM 0 HA SER A 32 -6.678 1.895 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.468 2.141 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.194 0.411 5.560 1.00 0.00 H new ATOM 0 HG SER A 32 -9.163 1.224 7.735 1.00 0.00 H new ATOM 444 N ILE A 33 -6.164 -0.395 4.708 1.00 0.00 N ATOM 445 CA ILE A 33 -5.713 -1.645 4.120 1.00 0.00 C ATOM 446 C ILE A 33 -5.904 -2.778 5.130 1.00 0.00 C ATOM 447 O ILE A 33 -5.712 -2.583 6.330 1.00 0.00 O ATOM 448 CB ILE A 33 -4.277 -1.510 3.611 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.329 -1.113 4.745 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.201 -0.536 2.434 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.887 -1.510 4.419 1.00 0.00 C ATOM 0 H ILE A 33 -5.660 -0.113 5.548 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.315 -1.893 3.246 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.952 -2.484 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.385 -0.037 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.642 -1.595 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.169 -0.459 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.827 -0.900 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.553 0.446 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.234 -1.217 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.830 -2.589 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.569 -1.007 3.506 1.00 0.00 H new ATOM 463 N SER A 34 -6.280 -3.936 4.609 1.00 0.00 N ATOM 464 CA SER A 34 -6.499 -5.100 5.450 1.00 0.00 C ATOM 465 C SER A 34 -5.876 -6.339 4.803 1.00 0.00 C ATOM 466 O SER A 34 -5.474 -6.300 3.642 1.00 0.00 O ATOM 467 CB SER A 34 -7.992 -5.326 5.700 1.00 0.00 C ATOM 468 OG SER A 34 -8.256 -5.704 7.049 1.00 0.00 O ATOM 0 H SER A 34 -6.439 -4.093 3.614 1.00 0.00 H new ATOM 0 HA SER A 34 -6.020 -4.921 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.541 -4.414 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.359 -6.102 5.028 1.00 0.00 H new ATOM 0 HG SER A 34 -9.219 -5.837 7.169 1.00 0.00 H new ATOM 474 N SER A 35 -5.815 -7.407 5.584 1.00 0.00 N ATOM 475 CA SER A 35 -5.247 -8.655 5.102 1.00 0.00 C ATOM 476 C SER A 35 -6.366 -9.621 4.706 1.00 0.00 C ATOM 477 O SER A 35 -7.468 -9.555 5.248 1.00 0.00 O ATOM 478 CB SER A 35 -4.344 -9.294 6.158 1.00 0.00 C ATOM 479 OG SER A 35 -4.404 -10.717 6.122 1.00 0.00 O ATOM 0 H SER A 35 -6.149 -7.434 6.547 1.00 0.00 H new ATOM 0 HA SER A 35 -4.637 -8.436 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.315 -8.971 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.639 -8.944 7.147 1.00 0.00 H new ATOM 0 HG SER A 35 -3.813 -11.087 6.810 1.00 0.00 H new ATOM 485 N GLY A 36 -6.044 -10.495 3.764 1.00 0.00 N ATOM 486 CA GLY A 36 -7.009 -11.473 3.290 1.00 0.00 C ATOM 487 C GLY A 36 -6.865 -12.796 4.045 1.00 0.00 C ATOM 488 O GLY A 36 -5.963 -12.951 4.866 1.00 0.00 O ATOM 0 H GLY A 36 -5.129 -10.547 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.019 -11.085 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.867 -11.642 2.223 1.00 0.00 H new ATOM 492 N PRO A 37 -7.792 -13.740 3.732 1.00 0.00 N ATOM 493 CA PRO A 37 -7.777 -15.045 4.371 1.00 0.00 C ATOM 494 C PRO A 37 -6.651 -15.916 3.813 1.00 0.00 C ATOM 495 O PRO A 37 -5.814 -15.440 3.048 1.00 0.00 O ATOM 496 CB PRO A 37 -9.159 -15.624 4.115 1.00 0.00 C ATOM 497 CG PRO A 37 -9.735 -14.830 2.954 1.00 0.00 C ATOM 498 CD PRO A 37 -8.875 -13.591 2.764 1.00 0.00 C ATOM 0 HA PRO A 37 -7.576 -14.987 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.099 -16.685 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.790 -15.535 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.742 -15.433 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.768 -14.550 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.490 -13.528 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.446 -12.681 2.946 1.00 0.00 H new ATOM 506 N ILE A 38 -6.665 -17.178 4.218 1.00 0.00 N ATOM 507 CA ILE A 38 -5.655 -18.120 3.768 1.00 0.00 C ATOM 508 C ILE A 38 -5.915 -18.479 2.304 1.00 0.00 C ATOM 509 O ILE A 38 -4.982 -18.775 1.559 1.00 0.00 O ATOM 510 CB ILE A 38 -5.602 -19.333 4.699 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.626 -20.387 4.170 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.000 -19.910 4.928 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.298 -20.333 4.928 1.00 0.00 C ATOM 0 H ILE A 38 -7.360 -17.570 4.853 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.664 -17.668 3.814 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.227 -19.004 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.066 -21.379 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.449 -20.223 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.934 -20.771 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.638 -19.150 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.426 -20.220 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.622 -21.092 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.849 -19.348 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.476 -20.521 5.987 1.00 0.00 H new ATOM 525 N GLN A 39 -7.187 -18.441 1.935 1.00 0.00 N ATOM 526 CA GLN A 39 -7.581 -18.758 0.573 1.00 0.00 C ATOM 527 C GLN A 39 -7.287 -17.577 -0.354 1.00 0.00 C ATOM 528 O GLN A 39 -7.000 -17.767 -1.535 1.00 0.00 O ATOM 529 CB GLN A 39 -9.058 -19.151 0.508 1.00 0.00 C ATOM 530 CG GLN A 39 -9.957 -17.971 0.882 1.00 0.00 C ATOM 531 CD GLN A 39 -11.340 -18.454 1.326 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.221 -18.717 0.525 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.479 -18.555 2.645 1.00 0.00 N ATOM 0 H GLN A 39 -7.958 -18.195 2.556 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.995 -19.613 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.303 -19.495 -0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.246 -19.985 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.494 -17.396 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.059 -17.302 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.700 -18.319 3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.365 -18.869 3.042 1.00 0.00 H new ATOM 542 N LYS A 40 -7.368 -16.384 0.217 1.00 0.00 N ATOM 543 CA LYS A 40 -7.114 -15.172 -0.544 1.00 0.00 C ATOM 544 C LYS A 40 -6.249 -14.224 0.290 1.00 0.00 C ATOM 545 O LYS A 40 -6.672 -13.117 0.616 1.00 0.00 O ATOM 546 CB LYS A 40 -8.429 -14.549 -1.015 1.00 0.00 C ATOM 547 CG LYS A 40 -8.172 -13.383 -1.971 1.00 0.00 C ATOM 548 CD LYS A 40 -8.949 -13.562 -3.277 1.00 0.00 C ATOM 549 CE LYS A 40 -9.347 -12.209 -3.869 1.00 0.00 C ATOM 550 NZ LYS A 40 -10.708 -12.276 -4.446 1.00 0.00 N ATOM 0 H LYS A 40 -7.606 -16.231 1.197 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.554 -15.402 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.036 -15.305 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.999 -14.199 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.465 -12.447 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.106 -13.312 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.339 -14.111 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.842 -14.159 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.311 -11.442 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.633 -11.918 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.713 -11.814 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.992 -13.271 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.377 -11.790 -3.815 1.00 0.00 H new ATOM 564 N PRO A 41 -5.020 -14.707 0.618 1.00 0.00 N ATOM 565 CA PRO A 41 -4.092 -13.915 1.407 1.00 0.00 C ATOM 566 C PRO A 41 -3.467 -12.801 0.564 1.00 0.00 C ATOM 567 O PRO A 41 -3.235 -12.978 -0.631 1.00 0.00 O ATOM 568 CB PRO A 41 -3.068 -14.911 1.926 1.00 0.00 C ATOM 569 CG PRO A 41 -3.191 -16.137 1.037 1.00 0.00 C ATOM 570 CD PRO A 41 -4.484 -16.013 0.248 1.00 0.00 C ATOM 0 HA PRO A 41 -4.579 -13.396 2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.061 -14.495 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.262 -15.163 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.338 -16.207 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.197 -17.046 1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.301 -16.076 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.180 -16.813 0.500 1.00 0.00 H new ATOM 578 N GLY A 42 -3.214 -11.678 1.219 1.00 0.00 N ATOM 579 CA GLY A 42 -2.621 -10.535 0.545 1.00 0.00 C ATOM 580 C GLY A 42 -3.030 -9.226 1.223 1.00 0.00 C ATOM 581 O GLY A 42 -3.410 -9.220 2.393 1.00 0.00 O ATOM 0 H GLY A 42 -3.409 -11.535 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.535 -10.628 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.934 -10.521 -0.499 1.00 0.00 H new ATOM 585 N ILE A 43 -2.939 -8.148 0.458 1.00 0.00 N ATOM 586 CA ILE A 43 -3.295 -6.835 0.970 1.00 0.00 C ATOM 587 C ILE A 43 -4.401 -6.236 0.100 1.00 0.00 C ATOM 588 O ILE A 43 -4.202 -6.005 -1.092 1.00 0.00 O ATOM 589 CB ILE A 43 -2.053 -5.949 1.082 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.941 -6.659 1.857 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.401 -4.591 1.695 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.212 -6.622 3.363 1.00 0.00 C ATOM 0 H ILE A 43 -2.624 -8.157 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.693 -6.916 1.982 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.676 -5.761 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.864 -7.694 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.016 -6.183 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.500 -3.981 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.135 -4.086 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.816 -4.738 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.407 -7.133 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.264 -5.586 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.158 -7.120 3.575 1.00 0.00 H new ATOM 604 N PHE A 44 -5.543 -6.001 0.729 1.00 0.00 N ATOM 605 CA PHE A 44 -6.682 -5.434 0.027 1.00 0.00 C ATOM 606 C PHE A 44 -7.224 -4.207 0.763 1.00 0.00 C ATOM 607 O PHE A 44 -7.280 -4.191 1.992 1.00 0.00 O ATOM 608 CB PHE A 44 -7.766 -6.512 -0.013 1.00 0.00 C ATOM 609 CG PHE A 44 -7.265 -7.882 -0.473 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.397 -8.585 0.303 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.688 -8.398 -1.659 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.932 -9.857 -0.124 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.223 -9.670 -2.086 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.355 -10.372 -1.309 1.00 0.00 C ATOM 0 H PHE A 44 -5.704 -6.193 1.718 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.384 -5.121 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.202 -6.611 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.564 -6.186 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.061 -8.176 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.377 -7.840 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.243 -10.415 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.558 -10.080 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.001 -11.339 -1.634 1.00 0.00 H new ATOM 624 N ILE A 45 -7.611 -3.210 -0.018 1.00 0.00 N ATOM 625 CA ILE A 45 -8.147 -1.983 0.544 1.00 0.00 C ATOM 626 C ILE A 45 -9.491 -2.278 1.213 1.00 0.00 C ATOM 627 O ILE A 45 -10.191 -3.212 0.824 1.00 0.00 O ATOM 628 CB ILE A 45 -8.219 -0.890 -0.524 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.836 -0.292 -0.791 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.244 0.181 -0.145 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.934 0.925 -1.713 1.00 0.00 C ATOM 0 H ILE A 45 -7.564 -3.227 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.483 -1.597 1.317 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.558 -1.344 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.373 -0.002 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.191 -1.045 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.275 0.946 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.229 -0.276 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.960 0.638 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.937 1.331 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.375 0.626 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.559 1.686 -1.246 1.00 0.00 H new ATOM 643 N SER A 46 -9.812 -1.465 2.209 1.00 0.00 N ATOM 644 CA SER A 46 -11.060 -1.627 2.936 1.00 0.00 C ATOM 645 C SER A 46 -11.934 -0.385 2.758 1.00 0.00 C ATOM 646 O SER A 46 -13.152 -0.492 2.625 1.00 0.00 O ATOM 647 CB SER A 46 -10.802 -1.887 4.421 1.00 0.00 C ATOM 648 OG SER A 46 -11.036 -0.726 5.214 1.00 0.00 O ATOM 0 H SER A 46 -9.229 -0.692 2.530 1.00 0.00 H new ATOM 0 HA SER A 46 -11.583 -2.492 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.446 -2.697 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.773 -2.218 4.558 1.00 0.00 H new ATOM 0 HG SER A 46 -10.862 -0.933 6.156 1.00 0.00 H new ATOM 654 N HIS A 47 -11.279 0.767 2.761 1.00 0.00 N ATOM 655 CA HIS A 47 -11.982 2.029 2.602 1.00 0.00 C ATOM 656 C HIS A 47 -11.051 3.056 1.954 1.00 0.00 C ATOM 657 O HIS A 47 -9.832 2.902 1.987 1.00 0.00 O ATOM 658 CB HIS A 47 -12.552 2.505 3.940 1.00 0.00 C ATOM 659 CG HIS A 47 -13.269 3.832 3.863 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.602 5.045 3.844 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.600 4.124 3.801 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.501 6.015 3.774 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.739 5.443 3.748 1.00 0.00 N ATOM 0 H HIS A 47 -10.269 0.853 2.871 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.835 1.894 1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.243 1.751 4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.740 2.584 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.405 3.404 3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.291 7.074 3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.625 5.946 3.696 1.00 0.00 H new ATOM 671 N VAL A 48 -11.663 4.082 1.381 1.00 0.00 N ATOM 672 CA VAL A 48 -10.905 5.134 0.726 1.00 0.00 C ATOM 673 C VAL A 48 -11.560 6.486 1.019 1.00 0.00 C ATOM 674 O VAL A 48 -12.770 6.640 0.865 1.00 0.00 O ATOM 675 CB VAL A 48 -10.785 4.840 -0.771 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.179 6.030 -1.517 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.973 3.567 -1.016 1.00 0.00 C ATOM 0 H VAL A 48 -12.675 4.207 1.357 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.889 5.172 1.118 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.789 4.677 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.105 5.794 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.815 6.905 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.185 6.239 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.903 3.381 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.972 3.689 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.465 2.723 -0.533 1.00 0.00 H new ATOM 687 N LYS A 49 -10.730 7.431 1.436 1.00 0.00 N ATOM 688 CA LYS A 49 -11.213 8.765 1.752 1.00 0.00 C ATOM 689 C LYS A 49 -11.492 9.523 0.452 1.00 0.00 C ATOM 690 O LYS A 49 -10.918 9.208 -0.589 1.00 0.00 O ATOM 691 CB LYS A 49 -10.235 9.482 2.684 1.00 0.00 C ATOM 692 CG LYS A 49 -10.711 9.413 4.137 1.00 0.00 C ATOM 693 CD LYS A 49 -9.594 8.918 5.057 1.00 0.00 C ATOM 694 CE LYS A 49 -9.886 7.503 5.563 1.00 0.00 C ATOM 695 NZ LYS A 49 -9.248 7.282 6.880 1.00 0.00 N ATOM 0 H LYS A 49 -9.726 7.300 1.562 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.155 8.710 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.247 9.028 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.134 10.524 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.044 10.399 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.570 8.746 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.645 8.928 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.488 9.596 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.963 7.354 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.516 6.770 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.456 6.318 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.219 7.404 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.620 7.969 7.566 1.00 0.00 H new ATOM 709 N PRO A 50 -12.396 10.533 0.559 1.00 0.00 N ATOM 710 CA PRO A 50 -12.758 11.338 -0.595 1.00 0.00 C ATOM 711 C PRO A 50 -11.643 12.326 -0.946 1.00 0.00 C ATOM 712 O PRO A 50 -11.382 13.265 -0.196 1.00 0.00 O ATOM 713 CB PRO A 50 -14.057 12.023 -0.206 1.00 0.00 C ATOM 714 CG PRO A 50 -14.132 11.944 1.311 1.00 0.00 C ATOM 715 CD PRO A 50 -13.095 10.934 1.776 1.00 0.00 C ATOM 0 HA PRO A 50 -12.893 10.742 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.069 13.059 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.912 11.528 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.939 12.921 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -15.130 11.641 1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.409 11.375 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.565 10.079 2.262 1.00 0.00 H new ATOM 723 N GLY A 51 -11.015 12.080 -2.086 1.00 0.00 N ATOM 724 CA GLY A 51 -9.934 12.936 -2.545 1.00 0.00 C ATOM 725 C GLY A 51 -8.661 12.694 -1.733 1.00 0.00 C ATOM 726 O GLY A 51 -7.995 13.642 -1.319 1.00 0.00 O ATOM 0 H GLY A 51 -11.234 11.300 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.738 12.746 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.231 13.981 -2.459 1.00 0.00 H new ATOM 730 N SER A 52 -8.359 11.420 -1.529 1.00 0.00 N ATOM 731 CA SER A 52 -7.177 11.042 -0.773 1.00 0.00 C ATOM 732 C SER A 52 -6.002 10.805 -1.724 1.00 0.00 C ATOM 733 O SER A 52 -6.063 11.174 -2.896 1.00 0.00 O ATOM 734 CB SER A 52 -7.439 9.792 0.069 1.00 0.00 C ATOM 735 OG SER A 52 -7.406 8.603 -0.716 1.00 0.00 O ATOM 0 H SER A 52 -8.913 10.636 -1.874 1.00 0.00 H new ATOM 0 HA SER A 52 -6.928 11.858 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.692 9.725 0.860 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.411 9.879 0.554 1.00 0.00 H new ATOM 0 HG SER A 52 -6.840 7.935 -0.275 1.00 0.00 H new ATOM 741 N LEU A 53 -4.960 10.191 -1.184 1.00 0.00 N ATOM 742 CA LEU A 53 -3.773 9.900 -1.970 1.00 0.00 C ATOM 743 C LEU A 53 -4.023 8.654 -2.822 1.00 0.00 C ATOM 744 O LEU A 53 -3.261 8.366 -3.744 1.00 0.00 O ATOM 745 CB LEU A 53 -2.545 9.790 -1.064 1.00 0.00 C ATOM 746 CG LEU A 53 -1.186 9.850 -1.765 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.971 11.213 -2.426 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.054 9.496 -0.799 1.00 0.00 C ATOM 0 H LEU A 53 -4.913 9.887 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.561 10.719 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.588 10.593 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.607 8.851 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.177 9.102 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.002 11.230 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.753 11.387 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.008 11.995 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.900 9.546 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.050 10.202 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.205 8.487 -0.416 1.00 0.00 H new ATOM 760 N SER A 54 -5.092 7.949 -2.482 1.00 0.00 N ATOM 761 CA SER A 54 -5.451 6.741 -3.205 1.00 0.00 C ATOM 762 C SER A 54 -6.492 7.063 -4.279 1.00 0.00 C ATOM 763 O SER A 54 -6.408 6.564 -5.400 1.00 0.00 O ATOM 764 CB SER A 54 -5.985 5.668 -2.253 1.00 0.00 C ATOM 765 OG SER A 54 -6.140 6.162 -0.925 1.00 0.00 O ATOM 0 H SER A 54 -5.721 8.191 -1.716 1.00 0.00 H new ATOM 0 HA SER A 54 -4.554 6.350 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.945 5.304 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.303 4.818 -2.246 1.00 0.00 H new ATOM 0 HG SER A 54 -5.779 5.510 -0.289 1.00 0.00 H new ATOM 771 N ALA A 55 -7.450 7.896 -3.898 1.00 0.00 N ATOM 772 CA ALA A 55 -8.506 8.291 -4.814 1.00 0.00 C ATOM 773 C ALA A 55 -7.903 9.100 -5.963 1.00 0.00 C ATOM 774 O ALA A 55 -8.260 8.900 -7.123 1.00 0.00 O ATOM 775 CB ALA A 55 -9.578 9.071 -4.051 1.00 0.00 C ATOM 0 H ALA A 55 -7.517 8.308 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.987 7.414 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.370 9.368 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.996 8.442 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.133 9.960 -3.605 1.00 0.00 H new ATOM 781 N GLU A 56 -6.997 9.997 -5.601 1.00 0.00 N ATOM 782 CA GLU A 56 -6.340 10.837 -6.588 1.00 0.00 C ATOM 783 C GLU A 56 -5.863 9.993 -7.771 1.00 0.00 C ATOM 784 O GLU A 56 -5.888 10.449 -8.913 1.00 0.00 O ATOM 785 CB GLU A 56 -5.178 11.611 -5.962 1.00 0.00 C ATOM 786 CG GLU A 56 -4.157 10.658 -5.338 1.00 0.00 C ATOM 787 CD GLU A 56 -2.786 11.325 -5.217 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.770 12.538 -4.916 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.785 10.607 -5.429 1.00 0.00 O ATOM 0 H GLU A 56 -6.703 10.160 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.063 11.565 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.692 12.223 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.558 12.292 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.501 10.345 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.075 9.758 -5.947 1.00 0.00 H new ATOM 796 N VAL A 57 -5.439 8.778 -7.457 1.00 0.00 N ATOM 797 CA VAL A 57 -4.957 7.865 -8.480 1.00 0.00 C ATOM 798 C VAL A 57 -6.134 7.064 -9.038 1.00 0.00 C ATOM 799 O VAL A 57 -6.092 6.605 -10.179 1.00 0.00 O ATOM 800 CB VAL A 57 -3.847 6.980 -7.910 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.775 7.822 -7.216 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.420 5.928 -6.958 1.00 0.00 C ATOM 0 H VAL A 57 -5.419 8.404 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.518 8.418 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.375 6.458 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.998 7.168 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.335 8.514 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.227 8.385 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.610 5.312 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.930 6.424 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.128 5.298 -7.496 1.00 0.00 H new ATOM 812 N GLY A 58 -7.157 6.919 -8.209 1.00 0.00 N ATOM 813 CA GLY A 58 -8.344 6.181 -8.606 1.00 0.00 C ATOM 814 C GLY A 58 -8.406 4.824 -7.902 1.00 0.00 C ATOM 815 O GLY A 58 -8.806 3.827 -8.502 1.00 0.00 O ATOM 0 H GLY A 58 -7.188 7.300 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.235 6.761 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.341 6.035 -9.686 1.00 0.00 H new ATOM 819 N LEU A 59 -8.004 4.829 -6.639 1.00 0.00 N ATOM 820 CA LEU A 59 -8.010 3.610 -5.847 1.00 0.00 C ATOM 821 C LEU A 59 -9.379 3.443 -5.186 1.00 0.00 C ATOM 822 O LEU A 59 -9.948 4.407 -4.677 1.00 0.00 O ATOM 823 CB LEU A 59 -6.844 3.611 -4.856 1.00 0.00 C ATOM 824 CG LEU A 59 -5.496 3.139 -5.406 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.402 3.247 -4.343 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.602 1.723 -5.977 1.00 0.00 C ATOM 0 H LEU A 59 -7.672 5.657 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.856 2.740 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.722 4.623 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.111 2.977 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.213 3.797 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.455 2.905 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.305 4.285 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.665 2.628 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.631 1.412 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.918 1.037 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.333 1.711 -6.786 1.00 0.00 H new ATOM 838 N GLU A 60 -9.868 2.212 -5.215 1.00 0.00 N ATOM 839 CA GLU A 60 -11.160 1.906 -4.624 1.00 0.00 C ATOM 840 C GLU A 60 -11.086 0.597 -3.835 1.00 0.00 C ATOM 841 O GLU A 60 -10.072 -0.098 -3.873 1.00 0.00 O ATOM 842 CB GLU A 60 -12.250 1.840 -5.695 1.00 0.00 C ATOM 843 CG GLU A 60 -11.652 1.535 -7.070 1.00 0.00 C ATOM 844 CD GLU A 60 -12.736 1.520 -8.149 1.00 0.00 C ATOM 845 OE1 GLU A 60 -13.327 2.598 -8.375 1.00 0.00 O ATOM 846 OE2 GLU A 60 -12.949 0.431 -8.724 1.00 0.00 O ATOM 0 H GLU A 60 -9.393 1.415 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.422 2.708 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.977 1.071 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.787 2.788 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.899 2.283 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.146 0.570 -7.044 1.00 0.00 H new ATOM 853 N ILE A 61 -12.174 0.300 -3.140 1.00 0.00 N ATOM 854 CA ILE A 61 -12.245 -0.913 -2.344 1.00 0.00 C ATOM 855 C ILE A 61 -12.120 -2.130 -3.263 1.00 0.00 C ATOM 856 O ILE A 61 -12.754 -2.185 -4.316 1.00 0.00 O ATOM 857 CB ILE A 61 -13.513 -0.918 -1.487 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.476 0.203 -0.447 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.736 -2.289 -0.845 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.888 0.690 -0.114 1.00 0.00 C ATOM 0 H ILE A 61 -13.014 0.879 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.412 -0.956 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.366 -0.725 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.987 -0.154 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.880 1.034 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.643 -2.265 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.839 -3.044 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.885 -2.536 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.833 1.487 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.365 1.068 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.474 -0.138 0.286 1.00 0.00 H new ATOM 872 N GLY A 62 -11.298 -3.075 -2.832 1.00 0.00 N ATOM 873 CA GLY A 62 -11.081 -4.287 -3.604 1.00 0.00 C ATOM 874 C GLY A 62 -9.674 -4.312 -4.203 1.00 0.00 C ATOM 875 O GLY A 62 -9.061 -5.373 -4.315 1.00 0.00 O ATOM 0 H GLY A 62 -10.774 -3.026 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.224 -5.159 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.821 -4.351 -4.402 1.00 0.00 H new ATOM 879 N ASP A 63 -9.202 -3.130 -4.573 1.00 0.00 N ATOM 880 CA ASP A 63 -7.878 -3.002 -5.158 1.00 0.00 C ATOM 881 C ASP A 63 -6.860 -3.714 -4.265 1.00 0.00 C ATOM 882 O ASP A 63 -6.384 -3.144 -3.284 1.00 0.00 O ATOM 883 CB ASP A 63 -7.465 -1.534 -5.270 1.00 0.00 C ATOM 884 CG ASP A 63 -8.298 -0.699 -6.244 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.230 -1.284 -6.839 1.00 0.00 O ATOM 886 OD2 ASP A 63 -7.986 0.504 -6.372 1.00 0.00 O ATOM 0 H ASP A 63 -9.713 -2.252 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.905 -3.445 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.526 -1.079 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.420 -1.489 -5.578 1.00 0.00 H new ATOM 891 N GLN A 64 -6.556 -4.949 -4.636 1.00 0.00 N ATOM 892 CA GLN A 64 -5.603 -5.744 -3.881 1.00 0.00 C ATOM 893 C GLN A 64 -4.173 -5.399 -4.301 1.00 0.00 C ATOM 894 O GLN A 64 -3.860 -5.375 -5.490 1.00 0.00 O ATOM 895 CB GLN A 64 -5.879 -7.239 -4.052 1.00 0.00 C ATOM 896 CG GLN A 64 -4.807 -8.078 -3.353 1.00 0.00 C ATOM 897 CD GLN A 64 -4.885 -9.542 -3.790 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.721 -9.935 -4.588 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.971 -10.325 -3.225 1.00 0.00 N ATOM 0 H GLN A 64 -6.953 -5.419 -5.450 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.718 -5.505 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.860 -7.481 -3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.907 -7.488 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.820 -7.678 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.934 -8.010 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.300 -9.932 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.941 -11.319 -3.452 1.00 0.00 H new ATOM 908 N ILE A 65 -3.343 -5.139 -3.301 1.00 0.00 N ATOM 909 CA ILE A 65 -1.953 -4.796 -3.553 1.00 0.00 C ATOM 910 C ILE A 65 -1.146 -6.079 -3.765 1.00 0.00 C ATOM 911 O ILE A 65 -0.901 -6.826 -2.820 1.00 0.00 O ATOM 912 CB ILE A 65 -1.410 -3.907 -2.433 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.213 -2.609 -2.325 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.085 -3.642 -2.619 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.523 -2.275 -0.865 1.00 0.00 C ATOM 0 H ILE A 65 -3.606 -5.159 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.865 -4.209 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.528 -4.438 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.652 -1.791 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.143 -2.705 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.446 -3.008 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.626 -4.588 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.250 -3.141 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.094 -1.348 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.105 -3.083 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.591 -2.155 -0.313 1.00 0.00 H new ATOM 927 N VAL A 66 -0.756 -6.295 -5.013 1.00 0.00 N ATOM 928 CA VAL A 66 0.018 -7.474 -5.362 1.00 0.00 C ATOM 929 C VAL A 66 1.503 -7.110 -5.401 1.00 0.00 C ATOM 930 O VAL A 66 2.363 -7.981 -5.274 1.00 0.00 O ATOM 931 CB VAL A 66 -0.489 -8.061 -6.681 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.996 -8.320 -6.623 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.134 -7.151 -7.858 1.00 0.00 C ATOM 0 H VAL A 66 -0.962 -5.673 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.107 -8.250 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 66 0.009 -9.018 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.330 -8.737 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.213 -9.025 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.519 -7.383 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.506 -7.591 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.592 -6.172 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.949 -7.040 -7.918 1.00 0.00 H new ATOM 943 N GLU A 67 1.760 -5.822 -5.576 1.00 0.00 N ATOM 944 CA GLU A 67 3.127 -5.333 -5.633 1.00 0.00 C ATOM 945 C GLU A 67 3.185 -3.867 -5.198 1.00 0.00 C ATOM 946 O GLU A 67 2.209 -3.133 -5.345 1.00 0.00 O ATOM 947 CB GLU A 67 3.716 -5.513 -7.034 1.00 0.00 C ATOM 948 CG GLU A 67 5.064 -4.800 -7.157 1.00 0.00 C ATOM 949 CD GLU A 67 5.591 -4.869 -8.592 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.332 -5.905 -9.242 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.242 -3.885 -9.006 1.00 0.00 O ATOM 0 H GLU A 67 1.045 -5.102 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 67 3.732 -5.921 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.841 -6.575 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.023 -5.119 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.958 -3.758 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.785 -5.257 -6.479 1.00 0.00 H new ATOM 958 N VAL A 68 4.338 -3.485 -4.670 1.00 0.00 N ATOM 959 CA VAL A 68 4.536 -2.120 -4.213 1.00 0.00 C ATOM 960 C VAL A 68 6.006 -1.735 -4.390 1.00 0.00 C ATOM 961 O VAL A 68 6.892 -2.378 -3.829 1.00 0.00 O ATOM 962 CB VAL A 68 4.050 -1.976 -2.769 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.242 -0.544 -2.266 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.590 -2.413 -2.636 1.00 0.00 C ATOM 0 H VAL A 68 5.145 -4.097 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 68 3.945 -1.427 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 68 4.655 -2.634 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.889 -0.469 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.300 -0.283 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.675 0.142 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.270 -2.301 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.965 -1.793 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.494 -3.457 -2.934 1.00 0.00 H new ATOM 974 N ASN A 69 6.221 -0.687 -5.172 1.00 0.00 N ATOM 975 CA ASN A 69 7.568 -0.209 -5.430 1.00 0.00 C ATOM 976 C ASN A 69 8.453 -1.388 -5.840 1.00 0.00 C ATOM 977 O ASN A 69 9.665 -1.361 -5.632 1.00 0.00 O ATOM 978 CB ASN A 69 8.177 0.425 -4.177 1.00 0.00 C ATOM 979 CG ASN A 69 8.556 1.885 -4.431 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.338 2.434 -5.499 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.135 2.482 -3.393 1.00 0.00 N ATOM 0 H ASN A 69 5.484 -0.155 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 69 7.515 0.537 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.465 0.368 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.061 -0.136 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.426 3.457 -3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.288 1.965 -2.527 1.00 0.00 H new ATOM 988 N GLY A 70 7.813 -2.395 -6.416 1.00 0.00 N ATOM 989 CA GLY A 70 8.527 -3.581 -6.857 1.00 0.00 C ATOM 990 C GLY A 70 8.699 -4.577 -5.709 1.00 0.00 C ATOM 991 O GLY A 70 9.644 -5.364 -5.701 1.00 0.00 O ATOM 0 H GLY A 70 6.808 -2.414 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.983 -4.054 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.505 -3.297 -7.246 1.00 0.00 H new ATOM 995 N VAL A 71 7.770 -4.510 -4.766 1.00 0.00 N ATOM 996 CA VAL A 71 7.807 -5.396 -3.615 1.00 0.00 C ATOM 997 C VAL A 71 6.777 -6.512 -3.802 1.00 0.00 C ATOM 998 O VAL A 71 5.788 -6.336 -4.512 1.00 0.00 O ATOM 999 CB VAL A 71 7.592 -4.594 -2.330 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.655 -5.501 -1.100 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.603 -3.451 -2.221 1.00 0.00 C ATOM 0 H VAL A 71 6.987 -3.856 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 71 8.786 -5.868 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 71 6.595 -4.156 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.499 -4.906 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.879 -6.263 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.632 -5.982 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.428 -2.897 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.614 -3.859 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.489 -2.782 -3.074 1.00 0.00 H new ATOM 1011 N ASP A 72 7.045 -7.636 -3.154 1.00 0.00 N ATOM 1012 CA ASP A 72 6.155 -8.780 -3.241 1.00 0.00 C ATOM 1013 C ASP A 72 5.050 -8.642 -2.191 1.00 0.00 C ATOM 1014 O ASP A 72 5.197 -9.114 -1.065 1.00 0.00 O ATOM 1015 CB ASP A 72 6.906 -10.085 -2.968 1.00 0.00 C ATOM 1016 CG ASP A 72 6.455 -11.279 -3.812 1.00 0.00 C ATOM 1017 OD1 ASP A 72 6.061 -11.037 -4.973 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.516 -12.407 -3.277 1.00 0.00 O ATOM 0 H ASP A 72 7.866 -7.778 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 72 5.739 -8.807 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.969 -9.918 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.791 -10.340 -1.914 1.00 0.00 H new ATOM 1023 N PHE A 73 3.969 -7.993 -2.597 1.00 0.00 N ATOM 1024 CA PHE A 73 2.841 -7.786 -1.706 1.00 0.00 C ATOM 1025 C PHE A 73 1.754 -8.837 -1.944 1.00 0.00 C ATOM 1026 O PHE A 73 0.586 -8.607 -1.637 1.00 0.00 O ATOM 1027 CB PHE A 73 2.271 -6.401 -2.018 1.00 0.00 C ATOM 1028 CG PHE A 73 2.871 -5.276 -1.172 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.219 -5.106 -1.124 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.055 -4.447 -0.467 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.776 -4.062 -0.339 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.612 -3.403 0.319 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.960 -3.233 0.366 1.00 0.00 C ATOM 0 H PHE A 73 3.851 -7.603 -3.532 1.00 0.00 H new ATOM 0 HA PHE A 73 3.167 -7.867 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.440 -6.179 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.192 -6.421 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.866 -5.765 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.984 -4.582 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.847 -3.926 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.965 -2.744 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.383 -2.439 0.964 1.00 0.00 H new ATOM 1043 N SER A 74 2.179 -9.967 -2.490 1.00 0.00 N ATOM 1044 CA SER A 74 1.257 -11.054 -2.773 1.00 0.00 C ATOM 1045 C SER A 74 0.909 -11.796 -1.481 1.00 0.00 C ATOM 1046 O SER A 74 -0.165 -12.384 -1.368 1.00 0.00 O ATOM 1047 CB SER A 74 1.846 -12.023 -3.799 1.00 0.00 C ATOM 1048 OG SER A 74 0.898 -12.383 -4.800 1.00 0.00 O ATOM 0 H SER A 74 3.149 -10.153 -2.744 1.00 0.00 H new ATOM 0 HA SER A 74 0.347 -10.628 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.716 -11.566 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.195 -12.922 -3.290 1.00 0.00 H new ATOM 0 HG SER A 74 1.313 -13.001 -5.437 1.00 0.00 H new ATOM 1054 N ASN A 75 1.839 -11.744 -0.538 1.00 0.00 N ATOM 1055 CA ASN A 75 1.645 -12.404 0.741 1.00 0.00 C ATOM 1056 C ASN A 75 2.349 -11.601 1.837 1.00 0.00 C ATOM 1057 O ASN A 75 3.102 -12.158 2.634 1.00 0.00 O ATOM 1058 CB ASN A 75 2.242 -13.813 0.731 1.00 0.00 C ATOM 1059 CG ASN A 75 1.597 -14.674 -0.357 1.00 0.00 C ATOM 1060 OD1 ASN A 75 0.503 -15.192 -0.207 1.00 0.00 O ATOM 1061 ND2 ASN A 75 2.333 -14.796 -1.458 1.00 0.00 N ATOM 0 H ASN A 75 2.729 -11.255 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 75 0.573 -12.468 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.318 -13.755 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.096 -14.281 1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.989 -15.350 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.241 -14.336 -1.518 1.00 0.00 H new ATOM 1068 N LEU A 76 2.079 -10.304 1.841 1.00 0.00 N ATOM 1069 CA LEU A 76 2.677 -9.418 2.825 1.00 0.00 C ATOM 1070 C LEU A 76 1.794 -9.380 4.074 1.00 0.00 C ATOM 1071 O LEU A 76 0.897 -10.207 4.230 1.00 0.00 O ATOM 1072 CB LEU A 76 2.940 -8.039 2.216 1.00 0.00 C ATOM 1073 CG LEU A 76 4.379 -7.764 1.775 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.558 -6.300 1.370 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.375 -8.185 2.858 1.00 0.00 C ATOM 0 H LEU A 76 1.454 -9.845 1.178 1.00 0.00 H new ATOM 0 HA LEU A 76 3.652 -9.795 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.286 -7.914 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.653 -7.281 2.945 1.00 0.00 H new ATOM 0 HG LEU A 76 4.587 -8.370 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.590 -6.132 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.888 -6.067 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.324 -5.657 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.390 -7.979 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.177 -7.625 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.268 -9.252 3.056 1.00 0.00 H new ATOM 1087 N ASP A 77 2.079 -8.411 4.932 1.00 0.00 N ATOM 1088 CA ASP A 77 1.322 -8.254 6.162 1.00 0.00 C ATOM 1089 C ASP A 77 0.936 -6.784 6.334 1.00 0.00 C ATOM 1090 O ASP A 77 1.415 -5.922 5.599 1.00 0.00 O ATOM 1091 CB ASP A 77 2.153 -8.670 7.377 1.00 0.00 C ATOM 1092 CG ASP A 77 1.416 -8.609 8.717 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.337 -9.234 8.799 1.00 0.00 O ATOM 1094 OD2 ASP A 77 1.949 -7.939 9.627 1.00 0.00 O ATOM 0 H ASP A 77 2.824 -7.727 4.799 1.00 0.00 H new ATOM 0 HA ASP A 77 0.437 -8.887 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.511 -9.688 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.032 -8.028 7.434 1.00 0.00 H new ATOM 1099 N HIS A 78 0.073 -6.542 7.310 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.383 -5.191 7.589 1.00 0.00 C ATOM 1101 C HIS A 78 0.759 -4.380 8.205 1.00 0.00 C ATOM 1102 O HIS A 78 0.632 -3.173 8.403 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.637 -5.210 8.465 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.266 -3.852 8.667 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.884 -2.992 9.682 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.253 -3.215 7.974 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.615 -1.891 9.594 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.464 -2.031 8.536 1.00 0.00 N ATOM 0 H HIS A 78 -0.323 -7.259 7.918 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.669 -4.701 6.658 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.373 -5.876 8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.382 -5.629 9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.775 -3.607 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.550 -1.033 10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.148 -1.340 8.227 1.00 0.00 H new ATOM 1116 N LYS A 79 1.849 -5.077 8.490 1.00 0.00 N ATOM 1117 CA LYS A 79 3.013 -4.438 9.080 1.00 0.00 C ATOM 1118 C LYS A 79 4.130 -4.360 8.037 1.00 0.00 C ATOM 1119 O LYS A 79 4.847 -3.363 7.962 1.00 0.00 O ATOM 1120 CB LYS A 79 3.423 -5.154 10.368 1.00 0.00 C ATOM 1121 CG LYS A 79 4.944 -5.159 10.532 1.00 0.00 C ATOM 1122 CD LYS A 79 5.337 -5.390 11.993 1.00 0.00 C ATOM 1123 CE LYS A 79 6.302 -4.306 12.479 1.00 0.00 C ATOM 1124 NZ LYS A 79 6.779 -4.612 13.846 1.00 0.00 N ATOM 0 H LYS A 79 1.951 -6.078 8.323 1.00 0.00 H new ATOM 0 HA LYS A 79 2.778 -3.415 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.963 -4.661 11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.052 -6.179 10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.378 -5.939 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.354 -4.210 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.444 -5.393 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.803 -6.370 12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.151 -4.235 11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.804 -3.337 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.433 -3.867 14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.967 -4.657 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.273 -5.527 13.845 1.00 0.00 H new ATOM 1138 N GLU A 80 4.244 -5.426 7.258 1.00 0.00 N ATOM 1139 CA GLU A 80 5.261 -5.491 6.223 1.00 0.00 C ATOM 1140 C GLU A 80 4.862 -4.620 5.030 1.00 0.00 C ATOM 1141 O GLU A 80 5.713 -3.988 4.406 1.00 0.00 O ATOM 1142 CB GLU A 80 5.509 -6.937 5.788 1.00 0.00 C ATOM 1143 CG GLU A 80 6.037 -7.777 6.952 1.00 0.00 C ATOM 1144 CD GLU A 80 7.390 -8.404 6.607 1.00 0.00 C ATOM 1145 OE1 GLU A 80 7.423 -9.175 5.623 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.359 -8.098 7.334 1.00 0.00 O ATOM 0 H GLU A 80 3.649 -6.252 7.323 1.00 0.00 H new ATOM 0 HA GLU A 80 6.194 -5.105 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.583 -7.371 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.226 -6.956 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.137 -7.152 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.320 -8.561 7.194 1.00 0.00 H new ATOM 1153 N ALA A 81 3.567 -4.615 4.750 1.00 0.00 N ATOM 1154 CA ALA A 81 3.044 -3.832 3.643 1.00 0.00 C ATOM 1155 C ALA A 81 3.096 -2.346 4.006 1.00 0.00 C ATOM 1156 O ALA A 81 3.445 -1.512 3.172 1.00 0.00 O ATOM 1157 CB ALA A 81 1.627 -4.302 3.309 1.00 0.00 C ATOM 0 H ALA A 81 2.865 -5.140 5.270 1.00 0.00 H new ATOM 0 HA ALA A 81 3.653 -3.975 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.235 -3.715 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.649 -5.355 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.985 -4.171 4.180 1.00 0.00 H new ATOM 1163 N VAL A 82 2.743 -2.061 5.250 1.00 0.00 N ATOM 1164 CA VAL A 82 2.744 -0.691 5.734 1.00 0.00 C ATOM 1165 C VAL A 82 4.188 -0.195 5.845 1.00 0.00 C ATOM 1166 O VAL A 82 4.481 0.952 5.512 1.00 0.00 O ATOM 1167 CB VAL A 82 1.978 -0.601 7.055 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.229 0.742 7.744 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.482 -0.836 6.838 1.00 0.00 C ATOM 0 H VAL A 82 2.454 -2.756 5.938 1.00 0.00 H new ATOM 0 HA VAL A 82 2.228 -0.037 5.030 1.00 0.00 H new ATOM 0 HB VAL A 82 2.348 -1.388 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.673 0.780 8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.294 0.852 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.899 1.552 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.039 -0.767 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.091 -0.082 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.327 -1.827 6.411 1.00 0.00 H new ATOM 1179 N ASN A 83 5.051 -1.085 6.313 1.00 0.00 N ATOM 1180 CA ASN A 83 6.456 -0.752 6.472 1.00 0.00 C ATOM 1181 C ASN A 83 7.042 -0.369 5.112 1.00 0.00 C ATOM 1182 O ASN A 83 7.693 0.666 4.982 1.00 0.00 O ATOM 1183 CB ASN A 83 7.248 -1.947 7.009 1.00 0.00 C ATOM 1184 CG ASN A 83 8.724 -1.589 7.192 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.140 -1.068 8.214 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.489 -1.896 6.149 1.00 0.00 N ATOM 0 H ASN A 83 4.804 -2.036 6.587 1.00 0.00 H new ATOM 0 HA ASN A 83 6.529 0.075 7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.827 -2.268 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.157 -2.787 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.489 -1.696 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.076 -2.331 5.324 1.00 0.00 H new ATOM 1193 N VAL A 84 6.790 -1.225 4.132 1.00 0.00 N ATOM 1194 CA VAL A 84 7.284 -0.990 2.787 1.00 0.00 C ATOM 1195 C VAL A 84 6.569 0.224 2.190 1.00 0.00 C ATOM 1196 O VAL A 84 7.066 0.843 1.251 1.00 0.00 O ATOM 1197 CB VAL A 84 7.123 -2.254 1.941 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.435 -1.973 0.469 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.996 -3.389 2.479 1.00 0.00 C ATOM 0 H VAL A 84 6.250 -2.083 4.244 1.00 0.00 H new ATOM 0 HA VAL A 84 8.350 -0.762 2.807 1.00 0.00 H new ATOM 0 HB VAL A 84 6.082 -2.571 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.313 -2.888 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.753 -1.211 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.462 -1.619 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.863 -4.276 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.042 -3.085 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.706 -3.616 3.505 1.00 0.00 H new ATOM 1209 N LEU A 85 5.412 0.528 2.761 1.00 0.00 N ATOM 1210 CA LEU A 85 4.623 1.657 2.297 1.00 0.00 C ATOM 1211 C LEU A 85 5.084 2.926 3.017 1.00 0.00 C ATOM 1212 O LEU A 85 4.943 4.028 2.490 1.00 0.00 O ATOM 1213 CB LEU A 85 3.129 1.368 2.457 1.00 0.00 C ATOM 1214 CG LEU A 85 2.514 0.425 1.420 1.00 0.00 C ATOM 1215 CD1 LEU A 85 1.177 -0.134 1.912 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.381 1.116 0.062 1.00 0.00 C ATOM 0 H LEU A 85 5.002 0.012 3.540 1.00 0.00 H new ATOM 0 HA LEU A 85 4.781 1.820 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.965 0.944 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.590 2.315 2.423 1.00 0.00 H new ATOM 0 HG LEU A 85 3.187 -0.422 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.761 -0.801 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.333 -0.687 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.483 0.687 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.941 0.424 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.740 1.992 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.366 1.425 -0.287 1.00 0.00 H new ATOM 1228 N LYS A 86 5.625 2.728 4.210 1.00 0.00 N ATOM 1229 CA LYS A 86 6.108 3.842 5.007 1.00 0.00 C ATOM 1230 C LYS A 86 7.633 3.910 4.911 1.00 0.00 C ATOM 1231 O LYS A 86 8.257 4.794 5.496 1.00 0.00 O ATOM 1232 CB LYS A 86 5.587 3.740 6.442 1.00 0.00 C ATOM 1233 CG LYS A 86 6.481 2.831 7.287 1.00 0.00 C ATOM 1234 CD LYS A 86 5.653 2.025 8.290 1.00 0.00 C ATOM 1235 CE LYS A 86 4.896 2.950 9.244 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.599 3.041 10.544 1.00 0.00 N ATOM 0 H LYS A 86 5.739 1.812 4.644 1.00 0.00 H new ATOM 0 HA LYS A 86 5.721 4.784 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.546 4.733 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.569 3.351 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.033 2.152 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.218 3.433 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.946 1.390 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.307 1.365 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.806 3.942 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.884 2.575 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.072 3.673 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.663 2.095 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.556 3.419 10.395 1.00 0.00 H new ATOM 1250 N SER A 87 8.190 2.965 4.168 1.00 0.00 N ATOM 1251 CA SER A 87 9.631 2.906 3.987 1.00 0.00 C ATOM 1252 C SER A 87 10.055 3.847 2.857 1.00 0.00 C ATOM 1253 O SER A 87 11.215 3.848 2.448 1.00 0.00 O ATOM 1254 CB SER A 87 10.091 1.478 3.690 1.00 0.00 C ATOM 1255 OG SER A 87 10.090 0.663 4.859 1.00 0.00 O ATOM 0 H SER A 87 7.669 2.234 3.684 1.00 0.00 H new ATOM 0 HA SER A 87 10.106 3.225 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.437 1.035 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.095 1.501 3.265 1.00 0.00 H new ATOM 0 HG SER A 87 9.221 0.734 5.306 1.00 0.00 H new ATOM 1261 N SER A 88 9.092 4.624 2.384 1.00 0.00 N ATOM 1262 CA SER A 88 9.351 5.566 1.309 1.00 0.00 C ATOM 1263 C SER A 88 8.087 6.374 1.005 1.00 0.00 C ATOM 1264 O SER A 88 6.989 5.990 1.406 1.00 0.00 O ATOM 1265 CB SER A 88 9.836 4.846 0.049 1.00 0.00 C ATOM 1266 OG SER A 88 9.577 3.446 0.102 1.00 0.00 O ATOM 0 H SER A 88 8.131 4.620 2.726 1.00 0.00 H new ATOM 0 HA SER A 88 10.140 6.245 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.344 5.273 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.906 5.012 -0.075 1.00 0.00 H new ATOM 0 HG SER A 88 9.900 3.022 -0.721 1.00 0.00 H new ATOM 1272 N ARG A 89 8.284 7.478 0.299 1.00 0.00 N ATOM 1273 CA ARG A 89 7.174 8.342 -0.063 1.00 0.00 C ATOM 1274 C ARG A 89 6.570 7.900 -1.398 1.00 0.00 C ATOM 1275 O ARG A 89 5.425 7.454 -1.447 1.00 0.00 O ATOM 1276 CB ARG A 89 7.625 9.800 -0.174 1.00 0.00 C ATOM 1277 CG ARG A 89 8.367 10.242 1.089 1.00 0.00 C ATOM 1278 CD ARG A 89 7.404 10.386 2.269 1.00 0.00 C ATOM 1279 NE ARG A 89 8.158 10.371 3.543 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.959 11.364 3.952 1.00 0.00 C ATOM 1281 NH1 ARG A 89 9.116 12.456 3.192 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.604 11.265 5.123 1.00 0.00 N ATOM 0 H ARG A 89 9.196 7.794 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 89 6.423 8.264 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.274 9.919 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.758 10.441 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.141 9.515 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.869 11.192 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.843 11.316 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.677 9.574 2.257 1.00 0.00 H new ATOM 0 HE ARG A 89 8.062 9.554 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.625 12.532 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.726 13.211 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.485 10.434 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.214 12.021 5.435 1.00 0.00 H new ATOM 1296 N SER A 90 7.367 8.039 -2.447 1.00 0.00 N ATOM 1297 CA SER A 90 6.925 7.660 -3.778 1.00 0.00 C ATOM 1298 C SER A 90 7.063 6.147 -3.963 1.00 0.00 C ATOM 1299 O SER A 90 8.173 5.630 -4.079 1.00 0.00 O ATOM 1300 CB SER A 90 7.721 8.400 -4.854 1.00 0.00 C ATOM 1301 OG SER A 90 8.278 9.617 -4.365 1.00 0.00 O ATOM 0 H SER A 90 8.316 8.409 -2.402 1.00 0.00 H new ATOM 0 HA SER A 90 5.877 7.939 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.521 7.756 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.071 8.614 -5.703 1.00 0.00 H new ATOM 0 HG SER A 90 8.780 10.058 -5.082 1.00 0.00 H new ATOM 1307 N LEU A 91 5.918 5.479 -3.985 1.00 0.00 N ATOM 1308 CA LEU A 91 5.897 4.037 -4.154 1.00 0.00 C ATOM 1309 C LEU A 91 5.062 3.684 -5.387 1.00 0.00 C ATOM 1310 O LEU A 91 4.251 4.489 -5.842 1.00 0.00 O ATOM 1311 CB LEU A 91 5.418 3.354 -2.871 1.00 0.00 C ATOM 1312 CG LEU A 91 6.111 3.792 -1.579 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.107 4.402 -0.599 1.00 0.00 C ATOM 1314 CD2 LEU A 91 6.889 2.632 -0.955 1.00 0.00 C ATOM 0 H LEU A 91 4.999 5.911 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 91 6.904 3.660 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.348 3.534 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.551 2.278 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 91 6.834 4.570 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.625 4.705 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.636 5.273 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.344 3.664 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.372 2.969 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.204 1.816 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.646 2.283 -1.657 1.00 0.00 H new ATOM 1326 N THR A 92 5.289 2.481 -5.892 1.00 0.00 N ATOM 1327 CA THR A 92 4.568 2.012 -7.063 1.00 0.00 C ATOM 1328 C THR A 92 3.694 0.809 -6.705 1.00 0.00 C ATOM 1329 O THR A 92 4.180 -0.319 -6.640 1.00 0.00 O ATOM 1330 CB THR A 92 5.592 1.714 -8.160 1.00 0.00 C ATOM 1331 OG1 THR A 92 6.112 2.995 -8.507 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.939 1.215 -9.451 1.00 0.00 C ATOM 0 H THR A 92 5.963 1.816 -5.512 1.00 0.00 H new ATOM 0 HA THR A 92 3.882 2.772 -7.436 1.00 0.00 H new ATOM 0 HB THR A 92 6.302 0.969 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.434 3.500 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.710 1.019 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.388 0.297 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.254 1.974 -9.829 1.00 0.00 H new ATOM 1340 N ILE A 93 2.419 1.090 -6.482 1.00 0.00 N ATOM 1341 CA ILE A 93 1.472 0.045 -6.132 1.00 0.00 C ATOM 1342 C ILE A 93 0.891 -0.561 -7.411 1.00 0.00 C ATOM 1343 O ILE A 93 0.502 0.165 -8.325 1.00 0.00 O ATOM 1344 CB ILE A 93 0.411 0.583 -5.170 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.058 1.194 -3.925 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.606 -0.502 -4.812 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.190 2.315 -3.350 1.00 0.00 C ATOM 0 H ILE A 93 2.019 2.027 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 93 1.975 -0.760 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.133 1.381 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.206 0.421 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.043 1.585 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.349 -0.093 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.101 -0.850 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.094 -1.338 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.673 2.732 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.064 3.098 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.786 1.915 -3.076 1.00 0.00 H new ATOM 1359 N SER A 94 0.852 -1.885 -7.436 1.00 0.00 N ATOM 1360 CA SER A 94 0.325 -2.596 -8.588 1.00 0.00 C ATOM 1361 C SER A 94 -0.890 -3.430 -8.178 1.00 0.00 C ATOM 1362 O SER A 94 -0.743 -4.546 -7.683 1.00 0.00 O ATOM 1363 CB SER A 94 1.394 -3.491 -9.219 1.00 0.00 C ATOM 1364 OG SER A 94 1.712 -3.087 -10.548 1.00 0.00 O ATOM 0 H SER A 94 1.177 -2.484 -6.677 1.00 0.00 H new ATOM 0 HA SER A 94 0.019 -1.861 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.296 -3.466 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.044 -4.523 -9.228 1.00 0.00 H new ATOM 0 HG SER A 94 2.399 -3.682 -10.915 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.064 -2.856 -8.400 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.304 -3.533 -8.060 1.00 0.00 C ATOM 1372 C ILE A 95 -3.901 -4.159 -9.322 1.00 0.00 C ATOM 1373 O ILE A 95 -3.444 -3.886 -10.430 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.256 -2.576 -7.339 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.405 -1.264 -8.113 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.808 -2.342 -5.895 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.862 -0.799 -8.127 1.00 0.00 C ATOM 0 H ILE A 95 -2.182 -1.930 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.115 -4.346 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.242 -3.040 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.779 -0.496 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.053 -1.399 -9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.501 -1.658 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.795 -3.291 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.808 -1.909 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.940 0.135 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.482 -1.558 -8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.204 -0.642 -7.104 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.913 -4.988 -9.110 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.577 -5.655 -10.217 1.00 0.00 C ATOM 1391 C VAL A 96 -6.960 -5.034 -10.426 1.00 0.00 C ATOM 1392 O VAL A 96 -7.893 -5.714 -10.849 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.632 -7.163 -9.961 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.494 -7.866 -11.012 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.226 -7.763 -9.916 1.00 0.00 C ATOM 0 H VAL A 96 -5.289 -5.213 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.015 -5.515 -11.140 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.095 -7.321 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.517 -8.936 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.508 -7.468 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.072 -7.695 -12.002 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.294 -8.835 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.725 -7.588 -10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.655 -7.293 -9.115 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.047 -3.747 -10.120 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.300 -3.026 -10.269 1.00 0.00 C ATOM 1407 C ALA A 97 -9.435 -3.853 -9.662 1.00 0.00 C ATOM 1408 O ALA A 97 -9.995 -4.726 -10.323 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.535 -2.711 -11.748 1.00 0.00 C ATOM 0 H ALA A 97 -6.271 -3.186 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.262 -2.076 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.475 -2.170 -11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.716 -2.097 -12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.582 -3.641 -12.315 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.740 -3.550 -8.408 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.798 -4.254 -7.704 1.00 0.00 C ATOM 1417 C ALA A 98 -10.568 -5.762 -7.823 1.00 0.00 C ATOM 1418 O ALA A 98 -11.448 -6.495 -8.272 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.157 -3.826 -8.264 1.00 0.00 C ATOM 0 H ALA A 98 -9.273 -2.826 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.788 -4.001 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.951 -4.354 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.284 -2.752 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.205 -4.067 -9.326 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.380 -6.181 -7.413 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.022 -7.588 -7.468 1.00 0.00 C ATOM 1427 C ALA A 99 -9.990 -8.390 -6.595 1.00 0.00 C ATOM 1428 O ALA A 99 -10.821 -9.138 -7.109 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.566 -7.763 -7.034 1.00 0.00 C ATOM 0 H ALA A 99 -8.653 -5.570 -7.041 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.106 -7.965 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.298 -8.819 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.917 -7.197 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.444 -7.398 -6.014 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.851 -8.207 -5.290 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.702 -8.904 -4.341 1.00 0.00 C ATOM 1437 C GLY A 100 -11.808 -7.985 -3.819 1.00 0.00 C ATOM 1438 O GLY A 100 -11.915 -7.759 -2.615 1.00 0.00 O ATOM 0 H GLY A 100 -9.161 -7.586 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.145 -9.778 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.102 -9.267 -3.507 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.603 -7.479 -4.751 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.697 -6.590 -4.400 1.00 0.00 C ATOM 1444 C ARG A 101 -14.802 -7.366 -3.680 1.00 0.00 C ATOM 1445 O ARG A 101 -15.569 -6.790 -2.910 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.282 -5.918 -5.644 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.086 -4.402 -5.592 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.125 -3.685 -6.457 1.00 0.00 C ATOM 1449 NE ARG A 101 -15.707 -2.548 -5.710 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.511 -1.624 -6.255 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -16.832 -1.698 -7.554 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -16.993 -0.627 -5.501 1.00 0.00 N ATOM 0 H ARG A 101 -12.511 -7.668 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.299 -5.820 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.804 -6.320 -6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.345 -6.148 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.165 -4.057 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.083 -4.149 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.661 -3.328 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.912 -4.381 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.483 -2.462 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.465 -2.457 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.444 -0.995 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -16.748 -0.571 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.605 0.076 -5.916 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.848 -8.661 -3.957 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.846 -9.521 -3.345 1.00 0.00 C ATOM 1468 C GLU A 102 -15.542 -9.714 -1.858 1.00 0.00 C ATOM 1469 O GLU A 102 -16.456 -9.787 -1.038 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.926 -10.867 -4.068 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.613 -11.641 -3.933 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.498 -12.718 -5.014 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -15.226 -13.726 -4.890 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.684 -12.508 -5.939 1.00 0.00 O ATOM 0 H GLU A 102 -14.210 -9.135 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.819 -9.038 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.744 -11.457 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.150 -10.705 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.771 -10.953 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.559 -12.103 -2.947 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.254 -9.791 -1.556 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.818 -9.974 -0.182 1.00 0.00 C ATOM 1483 C LEU A 103 -14.686 -9.119 0.743 1.00 0.00 C ATOM 1484 O LEU A 103 -15.153 -9.594 1.777 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.320 -9.692 -0.054 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.387 -10.694 -0.739 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.922 -10.376 -0.435 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.753 -12.131 -0.359 1.00 0.00 C ATOM 0 H LEU A 103 -13.499 -9.730 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.951 -11.011 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.121 -8.702 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.067 -9.656 1.006 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.519 -10.602 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.281 -11.103 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.685 -9.375 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.755 -10.423 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.075 -12.823 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.667 -12.255 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.777 -12.339 -0.668 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.876 -7.872 0.337 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.680 -6.946 1.116 1.00 0.00 C ATOM 1502 C PHE A 104 -17.108 -6.868 0.572 1.00 0.00 C ATOM 1503 O PHE A 104 -18.071 -7.043 1.318 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.024 -5.569 0.991 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.514 -5.575 1.237 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.029 -5.401 2.496 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.656 -5.755 0.197 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.628 -5.407 2.725 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.255 -5.761 0.426 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.770 -5.587 1.685 1.00 0.00 C ATOM 0 H PHE A 104 -14.487 -7.482 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.732 -7.280 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.218 -5.175 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.495 -4.888 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.710 -5.258 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.040 -5.893 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.244 -5.269 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.574 -5.904 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.704 -5.592 1.859 1.00 0.00 H new ATOM 1520 N MET A 105 -17.201 -6.605 -0.723 1.00 0.00 N ATOM 1521 CA MET A 105 -18.495 -6.502 -1.375 1.00 0.00 C ATOM 1522 C MET A 105 -19.336 -5.387 -0.751 1.00 0.00 C ATOM 1523 O MET A 105 -20.165 -5.643 0.121 1.00 0.00 O ATOM 1524 CB MET A 105 -19.238 -7.833 -1.249 1.00 0.00 C ATOM 1525 CG MET A 105 -19.312 -8.551 -2.599 1.00 0.00 C ATOM 1526 SD MET A 105 -21.011 -8.922 -3.001 1.00 0.00 S ATOM 1527 CE MET A 105 -21.248 -10.392 -2.017 1.00 0.00 C ATOM 0 H MET A 105 -16.401 -6.460 -1.339 1.00 0.00 H new ATOM 0 HA MET A 105 -18.333 -6.264 -2.426 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.732 -8.469 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 105 -20.245 -7.657 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 105 -18.874 -7.926 -3.377 1.00 0.00 H new ATOM 0 HG3 MET A 105 -18.729 -9.471 -2.563 1.00 0.00 H new ATOM 0 HE1 MET A 105 -22.265 -10.760 -2.151 1.00 0.00 H new ATOM 0 HE2 MET A 105 -20.541 -11.159 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 105 -21.083 -10.157 -0.966 1.00 0.00 H new ATOM 1537 N THR A 106 -19.094 -4.172 -1.222 1.00 0.00 N ATOM 1538 CA THR A 106 -19.818 -3.017 -0.721 1.00 0.00 C ATOM 1539 C THR A 106 -19.517 -2.800 0.763 1.00 0.00 C ATOM 1540 O THR A 106 -19.746 -3.688 1.583 1.00 0.00 O ATOM 1541 CB THR A 106 -21.305 -3.227 -1.015 1.00 0.00 C ATOM 1542 OG1 THR A 106 -21.405 -3.074 -2.428 1.00 0.00 O ATOM 1543 CG2 THR A 106 -22.178 -2.102 -0.455 1.00 0.00 C ATOM 0 H THR A 106 -18.406 -3.963 -1.946 1.00 0.00 H new ATOM 0 HA THR A 106 -19.498 -2.103 -1.222 1.00 0.00 H new ATOM 0 HB THR A 106 -21.627 -4.179 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 106 -22.337 -3.196 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 106 -23.223 -2.301 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.054 -2.050 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 106 -21.879 -1.153 -0.901 1.00 0.00 H new ATOM 1551 N ASP A 107 -19.006 -1.615 1.063 1.00 0.00 N ATOM 1552 CA ASP A 107 -18.671 -1.271 2.435 1.00 0.00 C ATOM 1553 C ASP A 107 -18.859 0.234 2.639 1.00 0.00 C ATOM 1554 O ASP A 107 -18.878 0.997 1.675 1.00 0.00 O ATOM 1555 CB ASP A 107 -17.212 -1.611 2.747 1.00 0.00 C ATOM 1556 CG ASP A 107 -17.004 -2.506 3.970 1.00 0.00 C ATOM 1557 OD1 ASP A 107 -17.231 -3.727 3.824 1.00 0.00 O ATOM 1558 OD2 ASP A 107 -16.623 -1.950 5.022 1.00 0.00 O ATOM 0 H ASP A 107 -18.816 -0.881 0.380 1.00 0.00 H new ATOM 0 HA ASP A 107 -19.324 -1.842 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.775 -2.102 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -16.662 -0.682 2.898 1.00 0.00 H new ATOM 1563 N ARG A 108 -18.994 0.615 3.900 1.00 0.00 N ATOM 1564 CA ARG A 108 -19.181 2.015 4.244 1.00 0.00 C ATOM 1565 C ARG A 108 -18.977 2.225 5.745 1.00 0.00 C ATOM 1566 O ARG A 108 -19.634 1.580 6.561 1.00 0.00 O ATOM 1567 CB ARG A 108 -20.580 2.495 3.854 1.00 0.00 C ATOM 1568 CG ARG A 108 -20.621 4.020 3.728 1.00 0.00 C ATOM 1569 CD ARG A 108 -21.201 4.444 2.377 1.00 0.00 C ATOM 1570 NE ARG A 108 -20.188 5.198 1.606 1.00 0.00 N ATOM 1571 CZ ARG A 108 -20.278 5.450 0.293 1.00 0.00 C ATOM 1572 NH1 ARG A 108 -21.335 5.010 -0.403 1.00 0.00 N ATOM 1573 NH2 ARG A 108 -19.311 6.142 -0.324 1.00 0.00 N ATOM 0 H ARG A 108 -18.978 -0.021 4.697 1.00 0.00 H new ATOM 0 HA ARG A 108 -18.443 2.594 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -20.874 2.040 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -21.302 2.169 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -21.224 4.439 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -19.615 4.425 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -21.517 3.565 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -22.087 5.060 2.530 1.00 0.00 H new ATOM 0 HE ARG A 108 -19.370 5.548 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -22.071 4.483 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -21.403 5.202 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -18.506 6.477 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -19.379 6.334 -1.323 1.00 0.00 H new ATOM 1587 N SER A 109 -18.064 3.130 6.065 1.00 0.00 N ATOM 1588 CA SER A 109 -17.765 3.433 7.454 1.00 0.00 C ATOM 1589 C SER A 109 -17.812 4.945 7.682 1.00 0.00 C ATOM 1590 O SER A 109 -17.324 5.716 6.856 1.00 0.00 O ATOM 1591 CB SER A 109 -16.398 2.877 7.858 1.00 0.00 C ATOM 1592 OG SER A 109 -16.318 2.622 9.258 1.00 0.00 O ATOM 0 H SER A 109 -17.521 3.663 5.386 1.00 0.00 H new ATOM 0 HA SER A 109 -18.520 2.955 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.205 1.955 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.620 3.585 7.573 1.00 0.00 H new ATOM 0 HG SER A 109 -15.431 2.267 9.476 1.00 0.00 H new ATOM 1598 N GLY A 110 -18.402 5.325 8.805 1.00 0.00 N ATOM 1599 CA GLY A 110 -18.518 6.731 9.151 1.00 0.00 C ATOM 1600 C GLY A 110 -17.139 7.380 9.282 1.00 0.00 C ATOM 1601 O GLY A 110 -16.385 7.063 10.202 1.00 0.00 O ATOM 0 H GLY A 110 -18.805 4.683 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -19.097 7.250 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -19.063 6.834 10.089 1.00 0.00 H new ATOM 1605 N PRO A 111 -16.842 8.299 8.325 1.00 0.00 N ATOM 1606 CA PRO A 111 -15.566 8.994 8.324 1.00 0.00 C ATOM 1607 C PRO A 111 -15.526 10.067 9.415 1.00 0.00 C ATOM 1608 O PRO A 111 -14.562 10.149 10.175 1.00 0.00 O ATOM 1609 CB PRO A 111 -15.431 9.567 6.923 1.00 0.00 C ATOM 1610 CG PRO A 111 -16.833 9.570 6.336 1.00 0.00 C ATOM 1611 CD PRO A 111 -17.710 8.699 7.221 1.00 0.00 C ATOM 0 HA PRO A 111 -14.728 8.336 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -15.018 10.575 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -14.756 8.963 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -17.226 10.586 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -16.821 9.187 5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -18.580 9.249 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -18.084 7.832 6.677 1.00 0.00 H new ATOM 1619 N SER A 112 -16.585 10.862 9.457 1.00 0.00 N ATOM 1620 CA SER A 112 -16.683 11.926 10.442 1.00 0.00 C ATOM 1621 C SER A 112 -16.185 11.429 11.801 1.00 0.00 C ATOM 1622 O SER A 112 -16.693 10.441 12.329 1.00 0.00 O ATOM 1623 CB SER A 112 -18.120 12.438 10.559 1.00 0.00 C ATOM 1624 OG SER A 112 -19.058 11.373 10.687 1.00 0.00 O ATOM 0 H SER A 112 -17.382 10.791 8.825 1.00 0.00 H new ATOM 0 HA SER A 112 -16.056 12.755 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.200 13.098 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.365 13.033 9.680 1.00 0.00 H new ATOM 0 HG SER A 112 -18.684 10.675 11.264 1.00 0.00 H new ATOM 1630 N SER A 113 -15.196 12.136 12.328 1.00 0.00 N ATOM 1631 CA SER A 113 -14.624 11.779 13.615 1.00 0.00 C ATOM 1632 C SER A 113 -13.596 12.830 14.040 1.00 0.00 C ATOM 1633 O SER A 113 -12.521 12.925 13.452 1.00 0.00 O ATOM 1634 CB SER A 113 -13.976 10.394 13.564 1.00 0.00 C ATOM 1635 OG SER A 113 -14.024 9.736 14.827 1.00 0.00 O ATOM 0 H SER A 113 -14.776 12.954 11.887 1.00 0.00 H new ATOM 0 HA SER A 113 -15.428 11.748 14.350 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.484 9.783 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.938 10.491 13.245 1.00 0.00 H new ATOM 0 HG SER A 113 -13.602 8.855 14.753 1.00 0.00 H new ATOM 1641 N GLY A 114 -13.964 13.592 15.059 1.00 0.00 N ATOM 1642 CA GLY A 114 -13.088 14.633 15.570 1.00 0.00 C ATOM 1643 C GLY A 114 -12.016 14.044 16.489 1.00 0.00 C ATOM 1644 O GLY A 114 -10.824 14.156 16.209 1.00 0.00 O ATOM 0 H GLY A 114 -14.857 13.510 15.545 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.613 15.154 14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.675 15.372 16.116 1.00 0.00 H new TER 1648 GLY A 114