USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 81:sc= 1.33 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.83 USER MOD Set 2.1: A 13 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.4!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -154:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0135 (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 180:sc= -0.115 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.108 K(o=-0.11,f=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 27 SER OG : rot -11:sc= 0.346! USER MOD Single : A 28 SER OG : rot 13:sc= 1.14 USER MOD Single : A 32 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.695 F(o=-1.6!,f=-0.7) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0.899 (180deg=0.807) USER MOD Single : A 59 GLN : amide:sc= -0.125 K(o=-0.12,f=-1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -155:sc= -0.855 (180deg=-1.55) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.2!) USER MOD Single : A 93 HIS :FLIP no HE2:sc= -1.25 F(o=-2.5!,f=-1.3) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.844 F(o=-2.1!,f=-0.84) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.496 F(o=-1.4,f=-0.5) USER MOD Single : A 96 ASN : amide:sc= -0.816 K(o=-0.82,f=-1.5) USER MOD Single : A 97 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.7) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 46:sc= 0.694 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.421 -35.736 16.348 1.00 0.00 N ATOM 2 CA GLY A 1 12.987 -35.343 15.020 1.00 0.00 C ATOM 3 C GLY A 1 11.559 -35.761 14.730 1.00 0.00 C ATOM 4 O GLY A 1 11.122 -36.834 15.147 1.00 0.00 O ATOM 0 H1 GLY A 1 14.374 -36.149 16.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.440 -34.901 16.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.760 -36.440 16.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.074 -34.261 14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.650 -35.787 14.278 1.00 0.00 H new ATOM 8 N SER A 2 10.829 -34.912 14.013 1.00 0.00 N ATOM 9 CA SER A 2 9.440 -35.197 13.672 1.00 0.00 C ATOM 10 C SER A 2 9.070 -34.567 12.333 1.00 0.00 C ATOM 11 O SER A 2 9.883 -33.884 11.709 1.00 0.00 O ATOM 12 CB SER A 2 8.507 -34.678 14.768 1.00 0.00 C ATOM 13 OG SER A 2 8.734 -33.303 15.022 1.00 0.00 O ATOM 0 H SER A 2 11.176 -34.021 13.657 1.00 0.00 H new ATOM 0 HA SER A 2 9.326 -36.278 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.470 -34.829 14.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.662 -35.250 15.683 1.00 0.00 H new ATOM 0 HG SER A 2 8.124 -32.995 15.725 1.00 0.00 H new ATOM 19 N SER A 3 7.837 -34.802 11.896 1.00 0.00 N ATOM 20 CA SER A 3 7.358 -34.262 10.629 1.00 0.00 C ATOM 21 C SER A 3 6.104 -33.419 10.837 1.00 0.00 C ATOM 22 O SER A 3 5.558 -33.359 11.938 1.00 0.00 O ATOM 23 CB SER A 3 7.067 -35.396 9.644 1.00 0.00 C ATOM 24 OG SER A 3 8.263 -35.885 9.061 1.00 0.00 O ATOM 0 H SER A 3 7.151 -35.363 12.401 1.00 0.00 H new ATOM 0 HA SER A 3 8.139 -33.624 10.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.552 -36.207 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.397 -35.039 8.862 1.00 0.00 H new ATOM 0 HG SER A 3 8.050 -36.610 8.437 1.00 0.00 H new ATOM 30 N GLY A 4 5.651 -32.769 9.769 1.00 0.00 N ATOM 31 CA GLY A 4 4.465 -31.938 9.854 1.00 0.00 C ATOM 32 C GLY A 4 3.429 -32.297 8.807 1.00 0.00 C ATOM 33 O GLY A 4 3.502 -33.360 8.191 1.00 0.00 O ATOM 0 H GLY A 4 6.085 -32.803 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.025 -32.039 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.749 -30.892 9.736 1.00 0.00 H new ATOM 37 N SER A 5 2.461 -31.409 8.606 1.00 0.00 N ATOM 38 CA SER A 5 1.402 -31.640 7.630 1.00 0.00 C ATOM 39 C SER A 5 0.786 -30.321 7.174 1.00 0.00 C ATOM 40 O SER A 5 1.022 -29.273 7.774 1.00 0.00 O ATOM 41 CB SER A 5 0.320 -32.543 8.225 1.00 0.00 C ATOM 42 OG SER A 5 0.838 -33.824 8.537 1.00 0.00 O ATOM 0 H SER A 5 2.388 -30.523 9.106 1.00 0.00 H new ATOM 0 HA SER A 5 1.842 -32.134 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.087 -32.083 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.504 -32.643 7.518 1.00 0.00 H new ATOM 0 HG SER A 5 0.127 -34.381 8.917 1.00 0.00 H new ATOM 48 N SER A 6 -0.004 -30.382 6.107 1.00 0.00 N ATOM 49 CA SER A 6 -0.652 -29.193 5.566 1.00 0.00 C ATOM 50 C SER A 6 -1.746 -29.574 4.573 1.00 0.00 C ATOM 51 O SER A 6 -1.559 -30.454 3.735 1.00 0.00 O ATOM 52 CB SER A 6 0.379 -28.290 4.886 1.00 0.00 C ATOM 53 OG SER A 6 0.684 -28.756 3.583 1.00 0.00 O ATOM 0 H SER A 6 -0.211 -31.242 5.600 1.00 0.00 H new ATOM 0 HA SER A 6 -1.110 -28.651 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.005 -27.271 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.289 -28.256 5.486 1.00 0.00 H new ATOM 0 HG SER A 6 1.344 -28.161 3.169 1.00 0.00 H new ATOM 59 N GLY A 7 -2.889 -28.903 4.676 1.00 0.00 N ATOM 60 CA GLY A 7 -3.997 -29.184 3.782 1.00 0.00 C ATOM 61 C GLY A 7 -4.963 -28.021 3.672 1.00 0.00 C ATOM 62 O GLY A 7 -4.857 -27.045 4.414 1.00 0.00 O ATOM 0 H GLY A 7 -3.067 -28.170 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.609 -29.425 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.532 -30.064 4.137 1.00 0.00 H new ATOM 66 N ALA A 8 -5.908 -28.124 2.743 1.00 0.00 N ATOM 67 CA ALA A 8 -6.897 -27.073 2.539 1.00 0.00 C ATOM 68 C ALA A 8 -8.171 -27.632 1.914 1.00 0.00 C ATOM 69 O ALA A 8 -8.143 -28.188 0.816 1.00 0.00 O ATOM 70 CB ALA A 8 -6.320 -25.968 1.667 1.00 0.00 C ATOM 0 H ALA A 8 -6.009 -28.925 2.120 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.154 -26.656 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.069 -25.190 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.443 -25.541 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.034 -26.380 0.699 1.00 0.00 H new ATOM 76 N SER A 9 -9.286 -27.482 2.621 1.00 0.00 N ATOM 77 CA SER A 9 -10.570 -27.976 2.138 1.00 0.00 C ATOM 78 C SER A 9 -10.930 -27.336 0.800 1.00 0.00 C ATOM 79 O SER A 9 -10.540 -26.208 0.497 1.00 0.00 O ATOM 80 CB SER A 9 -11.669 -27.691 3.163 1.00 0.00 C ATOM 81 OG SER A 9 -11.551 -28.545 4.288 1.00 0.00 O ATOM 0 H SER A 9 -9.326 -27.022 3.531 1.00 0.00 H new ATOM 0 HA SER A 9 -10.486 -29.053 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.610 -26.651 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.646 -27.827 2.700 1.00 0.00 H new ATOM 0 HG SER A 9 -12.264 -28.342 4.929 1.00 0.00 H new ATOM 87 N PRO A 10 -11.692 -28.073 -0.022 1.00 0.00 N ATOM 88 CA PRO A 10 -12.121 -27.599 -1.341 1.00 0.00 C ATOM 89 C PRO A 10 -13.143 -26.471 -1.247 1.00 0.00 C ATOM 90 O PRO A 10 -13.579 -26.104 -0.156 1.00 0.00 O ATOM 91 CB PRO A 10 -12.753 -28.841 -1.975 1.00 0.00 C ATOM 92 CG PRO A 10 -13.193 -29.674 -0.821 1.00 0.00 C ATOM 93 CD PRO A 10 -12.193 -29.426 0.274 1.00 0.00 C ATOM 0 HA PRO A 10 -11.292 -27.185 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.595 -28.574 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.036 -29.375 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.198 -29.398 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.223 -30.730 -1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.656 -29.477 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.391 -30.164 0.260 1.00 0.00 H new ATOM 101 N VAL A 11 -13.521 -25.924 -2.398 1.00 0.00 N ATOM 102 CA VAL A 11 -14.492 -24.838 -2.445 1.00 0.00 C ATOM 103 C VAL A 11 -14.841 -24.474 -3.884 1.00 0.00 C ATOM 104 O VAL A 11 -13.958 -24.339 -4.731 1.00 0.00 O ATOM 105 CB VAL A 11 -13.967 -23.583 -1.723 1.00 0.00 C ATOM 106 CG1 VAL A 11 -12.676 -23.098 -2.365 1.00 0.00 C ATOM 107 CG2 VAL A 11 -15.020 -22.485 -1.729 1.00 0.00 C ATOM 0 H VAL A 11 -13.169 -26.215 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.388 -25.193 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.753 -23.844 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.320 -22.211 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.922 -23.883 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.860 -22.853 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -14.632 -21.606 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.267 -22.224 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.916 -22.838 -1.219 1.00 0.00 H new ATOM 117 N GLU A 12 -16.133 -24.317 -4.153 1.00 0.00 N ATOM 118 CA GLU A 12 -16.597 -23.969 -5.491 1.00 0.00 C ATOM 119 C GLU A 12 -16.778 -22.460 -5.629 1.00 0.00 C ATOM 120 O GLU A 12 -16.660 -21.718 -4.654 1.00 0.00 O ATOM 121 CB GLU A 12 -17.916 -24.681 -5.798 1.00 0.00 C ATOM 122 CG GLU A 12 -19.111 -24.094 -5.065 1.00 0.00 C ATOM 123 CD GLU A 12 -20.228 -25.100 -4.870 1.00 0.00 C ATOM 124 OE1 GLU A 12 -20.009 -26.099 -4.154 1.00 0.00 O ATOM 125 OE2 GLU A 12 -21.322 -24.887 -5.433 1.00 0.00 O ATOM 0 H GLU A 12 -16.876 -24.425 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.841 -24.294 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.101 -24.637 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.820 -25.734 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.789 -23.722 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.491 -23.239 -5.624 1.00 0.00 H new ATOM 132 N ASN A 13 -17.064 -22.013 -6.847 1.00 0.00 N ATOM 133 CA ASN A 13 -17.260 -20.593 -7.114 1.00 0.00 C ATOM 134 C ASN A 13 -17.813 -20.374 -8.519 1.00 0.00 C ATOM 135 O ASN A 13 -17.285 -20.905 -9.496 1.00 0.00 O ATOM 136 CB ASN A 13 -15.940 -19.835 -6.951 1.00 0.00 C ATOM 137 CG ASN A 13 -15.616 -19.547 -5.498 1.00 0.00 C ATOM 138 OD1 ASN A 13 -14.608 -20.017 -4.970 1.00 0.00 O ATOM 139 ND2 ASN A 13 -16.471 -18.769 -4.844 1.00 0.00 N ATOM 0 H ASN A 13 -17.165 -22.614 -7.665 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.983 -20.211 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.132 -20.419 -7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.993 -18.896 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.305 -18.539 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.294 -18.401 -5.322 1.00 0.00 H new ATOM 146 N LYS A 14 -18.881 -19.589 -8.613 1.00 0.00 N ATOM 147 CA LYS A 14 -19.507 -19.297 -9.897 1.00 0.00 C ATOM 148 C LYS A 14 -18.997 -17.976 -10.463 1.00 0.00 C ATOM 149 O LYS A 14 -18.207 -17.281 -9.825 1.00 0.00 O ATOM 150 CB LYS A 14 -21.029 -19.246 -9.746 1.00 0.00 C ATOM 151 CG LYS A 14 -21.508 -18.184 -8.772 1.00 0.00 C ATOM 152 CD LYS A 14 -21.701 -16.843 -9.460 1.00 0.00 C ATOM 153 CE LYS A 14 -23.118 -16.686 -9.989 1.00 0.00 C ATOM 154 NZ LYS A 14 -23.548 -15.260 -10.011 1.00 0.00 N ATOM 0 H LYS A 14 -19.332 -19.143 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.244 -20.095 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -21.477 -19.060 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.386 -20.220 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.448 -18.501 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.785 -18.078 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -21.482 -16.038 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -20.992 -16.750 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.177 -17.099 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.803 -17.262 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.519 -15.196 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.516 -14.873 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.909 -14.714 -10.624 1.00 0.00 H new ATOM 168 N GLU A 15 -19.455 -17.636 -11.664 1.00 0.00 N ATOM 169 CA GLU A 15 -19.044 -16.397 -12.315 1.00 0.00 C ATOM 170 C GLU A 15 -19.117 -15.223 -11.343 1.00 0.00 C ATOM 171 O GLU A 15 -20.201 -14.803 -10.939 1.00 0.00 O ATOM 172 CB GLU A 15 -19.925 -16.119 -13.534 1.00 0.00 C ATOM 173 CG GLU A 15 -19.647 -17.042 -14.709 1.00 0.00 C ATOM 174 CD GLU A 15 -20.084 -18.470 -14.446 1.00 0.00 C ATOM 175 OE1 GLU A 15 -21.145 -18.659 -13.817 1.00 0.00 O ATOM 176 OE2 GLU A 15 -19.364 -19.398 -14.871 1.00 0.00 O ATOM 0 H GLU A 15 -20.110 -18.200 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.011 -16.513 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.972 -16.217 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.777 -15.087 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.163 -16.665 -15.592 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.580 -17.028 -14.933 1.00 0.00 H new ATOM 183 N VAL A 16 -17.954 -14.696 -10.973 1.00 0.00 N ATOM 184 CA VAL A 16 -17.884 -13.570 -10.049 1.00 0.00 C ATOM 185 C VAL A 16 -16.949 -12.486 -10.574 1.00 0.00 C ATOM 186 O VAL A 16 -15.994 -12.772 -11.298 1.00 0.00 O ATOM 187 CB VAL A 16 -17.404 -14.016 -8.655 1.00 0.00 C ATOM 188 CG1 VAL A 16 -15.963 -14.496 -8.715 1.00 0.00 C ATOM 189 CG2 VAL A 16 -17.556 -12.882 -7.652 1.00 0.00 C ATOM 0 H VAL A 16 -17.047 -15.031 -11.299 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.893 -13.166 -9.965 1.00 0.00 H new ATOM 0 HB VAL A 16 -18.025 -14.849 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.641 -14.807 -7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.889 -15.340 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.324 -13.686 -9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.212 -13.214 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.961 -12.028 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.604 -12.590 -7.589 1.00 0.00 H new ATOM 199 N TYR A 17 -17.228 -11.241 -10.204 1.00 0.00 N ATOM 200 CA TYR A 17 -16.413 -10.114 -10.639 1.00 0.00 C ATOM 201 C TYR A 17 -15.407 -9.721 -9.561 1.00 0.00 C ATOM 202 O TYR A 17 -15.720 -8.943 -8.661 1.00 0.00 O ATOM 203 CB TYR A 17 -17.302 -8.917 -10.983 1.00 0.00 C ATOM 204 CG TYR A 17 -18.435 -9.256 -11.926 1.00 0.00 C ATOM 205 CD1 TYR A 17 -18.258 -10.173 -12.955 1.00 0.00 C ATOM 206 CD2 TYR A 17 -19.682 -8.659 -11.787 1.00 0.00 C ATOM 207 CE1 TYR A 17 -19.290 -10.484 -13.819 1.00 0.00 C ATOM 208 CE2 TYR A 17 -20.720 -8.966 -12.646 1.00 0.00 C ATOM 209 CZ TYR A 17 -20.519 -9.878 -13.660 1.00 0.00 C ATOM 210 OH TYR A 17 -21.549 -10.187 -14.518 1.00 0.00 O ATOM 0 H TYR A 17 -18.013 -10.987 -9.604 1.00 0.00 H new ATOM 0 HA TYR A 17 -15.864 -10.418 -11.530 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -17.717 -8.507 -10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.688 -8.136 -11.432 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.298 -10.651 -13.081 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.843 -7.943 -10.994 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -19.135 -11.198 -14.615 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -21.684 -8.494 -12.524 1.00 0.00 H new ATOM 0 HH TYR A 17 -22.347 -9.675 -14.269 1.00 0.00 H new ATOM 220 N GLN A 18 -14.199 -10.265 -9.663 1.00 0.00 N ATOM 221 CA GLN A 18 -13.146 -9.972 -8.697 1.00 0.00 C ATOM 222 C GLN A 18 -12.321 -8.768 -9.140 1.00 0.00 C ATOM 223 O GLN A 18 -12.146 -8.528 -10.335 1.00 0.00 O ATOM 224 CB GLN A 18 -12.238 -11.189 -8.515 1.00 0.00 C ATOM 225 CG GLN A 18 -12.640 -12.079 -7.350 1.00 0.00 C ATOM 226 CD GLN A 18 -12.248 -13.528 -7.560 1.00 0.00 C ATOM 227 OE1 GLN A 18 -13.096 -14.381 -7.825 1.00 0.00 O ATOM 228 NE2 GLN A 18 -10.957 -13.816 -7.443 1.00 0.00 N ATOM 0 H GLN A 18 -13.925 -10.910 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.618 -9.735 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.247 -11.779 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.214 -10.848 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.173 -11.709 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.718 -12.016 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.288 -13.078 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.634 -14.775 -7.574 1.00 0.00 H new ATOM 237 N CYS A 19 -11.815 -8.014 -8.170 1.00 0.00 N ATOM 238 CA CYS A 19 -11.008 -6.835 -8.458 1.00 0.00 C ATOM 239 C CYS A 19 -9.593 -7.231 -8.868 1.00 0.00 C ATOM 240 O CYS A 19 -8.955 -8.058 -8.215 1.00 0.00 O ATOM 241 CB CYS A 19 -10.959 -5.913 -7.238 1.00 0.00 C ATOM 242 SG CYS A 19 -9.914 -4.439 -7.462 1.00 0.00 S ATOM 0 H CYS A 19 -11.950 -8.199 -7.176 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.472 -6.302 -9.288 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -11.973 -5.593 -6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.591 -6.479 -6.382 1.00 0.00 H new ATOM 247 N ARG A 20 -9.108 -6.636 -9.952 1.00 0.00 N ATOM 248 CA ARG A 20 -7.768 -6.927 -10.449 1.00 0.00 C ATOM 249 C ARG A 20 -6.718 -6.129 -9.682 1.00 0.00 C ATOM 250 O ARG A 20 -5.615 -5.895 -10.178 1.00 0.00 O ATOM 251 CB ARG A 20 -7.675 -6.609 -11.943 1.00 0.00 C ATOM 252 CG ARG A 20 -8.515 -7.528 -12.814 1.00 0.00 C ATOM 253 CD ARG A 20 -7.945 -8.937 -12.850 1.00 0.00 C ATOM 254 NE ARG A 20 -6.835 -9.055 -13.793 1.00 0.00 N ATOM 255 CZ ARG A 20 -6.993 -9.336 -15.081 1.00 0.00 C ATOM 256 NH1 ARG A 20 -8.207 -9.527 -15.578 1.00 0.00 N ATOM 257 NH2 ARG A 20 -5.934 -9.426 -15.876 1.00 0.00 N ATOM 0 H ARG A 20 -9.622 -5.949 -10.503 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.574 -7.989 -10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.990 -5.579 -12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.633 -6.677 -12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.536 -7.557 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.563 -7.128 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.605 -9.216 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.732 -9.639 -13.126 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.887 -8.914 -13.443 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.023 -9.458 -14.970 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.325 -9.743 -16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.998 -9.279 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.056 -9.642 -16.865 1.00 0.00 H new ATOM 271 N LEU A 21 -7.068 -5.713 -8.470 1.00 0.00 N ATOM 272 CA LEU A 21 -6.156 -4.940 -7.633 1.00 0.00 C ATOM 273 C LEU A 21 -5.945 -5.620 -6.285 1.00 0.00 C ATOM 274 O LEU A 21 -4.820 -5.714 -5.794 1.00 0.00 O ATOM 275 CB LEU A 21 -6.700 -3.525 -7.424 1.00 0.00 C ATOM 276 CG LEU A 21 -7.209 -2.810 -8.676 1.00 0.00 C ATOM 277 CD1 LEU A 21 -7.903 -1.509 -8.303 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.064 -2.547 -9.643 1.00 0.00 C ATOM 0 H LEU A 21 -7.976 -5.898 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.195 -4.882 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.514 -3.574 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.913 -2.917 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.934 -3.456 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.259 -1.014 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.749 -1.722 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.200 -0.857 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.445 -2.038 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.315 -1.921 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.611 -3.494 -9.936 1.00 0.00 H new ATOM 290 N CYS A 22 -7.035 -6.096 -5.691 1.00 0.00 N ATOM 291 CA CYS A 22 -6.970 -6.770 -4.400 1.00 0.00 C ATOM 292 C CYS A 22 -7.613 -8.152 -4.475 1.00 0.00 C ATOM 293 O CYS A 22 -7.448 -8.975 -3.576 1.00 0.00 O ATOM 294 CB CYS A 22 -7.666 -5.930 -3.327 1.00 0.00 C ATOM 295 SG CYS A 22 -9.389 -5.495 -3.725 1.00 0.00 S ATOM 0 H CYS A 22 -7.974 -6.027 -6.084 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.920 -6.891 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.649 -6.477 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -7.097 -5.013 -3.173 1.00 0.00 H new ATOM 300 N ASN A 23 -8.346 -8.400 -5.556 1.00 0.00 N ATOM 301 CA ASN A 23 -9.014 -9.682 -5.749 1.00 0.00 C ATOM 302 C ASN A 23 -10.180 -9.840 -4.778 1.00 0.00 C ATOM 303 O ASN A 23 -10.344 -10.887 -4.153 1.00 0.00 O ATOM 304 CB ASN A 23 -8.022 -10.831 -5.563 1.00 0.00 C ATOM 305 CG ASN A 23 -6.703 -10.576 -6.267 1.00 0.00 C ATOM 306 OD1 ASN A 23 -5.792 -9.969 -5.703 1.00 0.00 O ATOM 307 ND2 ASN A 23 -6.595 -11.039 -7.507 1.00 0.00 N ATOM 0 H ASN A 23 -8.492 -7.730 -6.311 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.405 -9.710 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.840 -10.981 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.462 -11.753 -5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.731 -10.897 -8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.376 -11.537 -7.935 1.00 0.00 H new ATOM 314 N ALA A 24 -10.988 -8.791 -4.657 1.00 0.00 N ATOM 315 CA ALA A 24 -12.140 -8.814 -3.764 1.00 0.00 C ATOM 316 C ALA A 24 -13.441 -8.951 -4.549 1.00 0.00 C ATOM 317 O ALA A 24 -13.823 -8.052 -5.298 1.00 0.00 O ATOM 318 CB ALA A 24 -12.169 -7.557 -2.907 1.00 0.00 C ATOM 0 H ALA A 24 -10.866 -7.916 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.046 -9.683 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.034 -7.588 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.258 -7.502 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.235 -6.680 -3.550 1.00 0.00 H new ATOM 324 N LYS A 25 -14.116 -10.082 -4.374 1.00 0.00 N ATOM 325 CA LYS A 25 -15.374 -10.337 -5.065 1.00 0.00 C ATOM 326 C LYS A 25 -16.312 -9.140 -4.947 1.00 0.00 C ATOM 327 O LYS A 25 -16.537 -8.620 -3.854 1.00 0.00 O ATOM 328 CB LYS A 25 -16.049 -11.586 -4.494 1.00 0.00 C ATOM 329 CG LYS A 25 -15.307 -12.875 -4.805 1.00 0.00 C ATOM 330 CD LYS A 25 -15.607 -13.953 -3.777 1.00 0.00 C ATOM 331 CE LYS A 25 -17.074 -14.355 -3.803 1.00 0.00 C ATOM 332 NZ LYS A 25 -17.327 -15.468 -4.759 1.00 0.00 N ATOM 0 H LYS A 25 -13.812 -10.837 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.154 -10.501 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.137 -11.479 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.062 -11.655 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.589 -13.228 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.235 -12.682 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.986 -14.827 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.345 -13.592 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.386 -14.657 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.682 -13.493 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.314 -15.429 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.690 -15.376 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.154 -16.378 -4.286 1.00 0.00 H new ATOM 346 N LEU A 26 -16.859 -8.709 -6.079 1.00 0.00 N ATOM 347 CA LEU A 26 -17.775 -7.574 -6.102 1.00 0.00 C ATOM 348 C LEU A 26 -19.224 -8.042 -6.017 1.00 0.00 C ATOM 349 O LEU A 26 -19.499 -9.242 -5.996 1.00 0.00 O ATOM 350 CB LEU A 26 -17.567 -6.752 -7.375 1.00 0.00 C ATOM 351 CG LEU A 26 -16.493 -5.665 -7.304 1.00 0.00 C ATOM 352 CD1 LEU A 26 -16.601 -4.893 -5.998 1.00 0.00 C ATOM 353 CD2 LEU A 26 -15.107 -6.275 -7.452 1.00 0.00 C ATOM 0 H LEU A 26 -16.684 -9.128 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 26 -17.563 -6.949 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.312 -7.434 -8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.514 -6.282 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.652 -4.969 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.829 -4.124 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.583 -4.425 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.468 -5.576 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.355 -5.487 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.938 -6.993 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.034 -6.783 -8.414 1.00 0.00 H new ATOM 365 N SER A 27 -20.147 -7.087 -5.970 1.00 0.00 N ATOM 366 CA SER A 27 -21.569 -7.401 -5.886 1.00 0.00 C ATOM 367 C SER A 27 -22.234 -7.280 -7.253 1.00 0.00 C ATOM 368 O SER A 27 -23.374 -7.704 -7.441 1.00 0.00 O ATOM 369 CB SER A 27 -22.260 -6.472 -4.886 1.00 0.00 C ATOM 370 OG SER A 27 -23.670 -6.564 -4.994 1.00 0.00 O ATOM 0 H SER A 27 -19.936 -6.089 -5.989 1.00 0.00 H new ATOM 0 HA SER A 27 -21.668 -8.431 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 27 -21.952 -6.730 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.945 -5.444 -5.063 1.00 0.00 H new ATOM 0 HG SER A 27 -23.904 -7.072 -5.799 1.00 0.00 H new ATOM 376 N SER A 28 -21.513 -6.698 -8.206 1.00 0.00 N ATOM 377 CA SER A 28 -22.033 -6.516 -9.556 1.00 0.00 C ATOM 378 C SER A 28 -20.962 -5.942 -10.478 1.00 0.00 C ATOM 379 O SER A 28 -19.960 -5.393 -10.019 1.00 0.00 O ATOM 380 CB SER A 28 -23.253 -5.593 -9.535 1.00 0.00 C ATOM 381 OG SER A 28 -24.433 -6.314 -9.223 1.00 0.00 O ATOM 0 H SER A 28 -20.566 -6.344 -8.068 1.00 0.00 H new ATOM 0 HA SER A 28 -22.331 -7.492 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.102 -4.802 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 28 -23.364 -5.110 -10.506 1.00 0.00 H new ATOM 0 HG SER A 28 -24.194 -7.206 -8.895 1.00 0.00 H new ATOM 387 N LEU A 29 -21.181 -6.072 -11.782 1.00 0.00 N ATOM 388 CA LEU A 29 -20.236 -5.567 -12.771 1.00 0.00 C ATOM 389 C LEU A 29 -19.880 -4.111 -12.489 1.00 0.00 C ATOM 390 O LEU A 29 -18.722 -3.708 -12.614 1.00 0.00 O ATOM 391 CB LEU A 29 -20.821 -5.698 -14.178 1.00 0.00 C ATOM 392 CG LEU A 29 -19.812 -5.910 -15.308 1.00 0.00 C ATOM 393 CD1 LEU A 29 -19.230 -7.314 -15.246 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.465 -5.660 -16.659 1.00 0.00 C ATOM 0 H LEU A 29 -22.005 -6.523 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 29 -19.326 -6.164 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -21.522 -6.533 -14.182 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.396 -4.798 -14.396 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.998 -5.196 -15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.514 -7.447 -16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -18.726 -7.457 -14.290 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.032 -8.045 -15.346 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.733 -5.815 -17.451 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.298 -6.350 -16.794 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.833 -4.635 -16.701 1.00 0.00 H new ATOM 406 N LEU A 30 -20.881 -3.325 -12.108 1.00 0.00 N ATOM 407 CA LEU A 30 -20.674 -1.913 -11.806 1.00 0.00 C ATOM 408 C LEU A 30 -19.698 -1.742 -10.646 1.00 0.00 C ATOM 409 O LEU A 30 -18.703 -1.028 -10.760 1.00 0.00 O ATOM 410 CB LEU A 30 -22.007 -1.242 -11.469 1.00 0.00 C ATOM 411 CG LEU A 30 -22.046 0.280 -11.609 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.454 0.675 -13.020 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.998 0.885 -10.587 1.00 0.00 C ATOM 0 H LEU A 30 -21.845 -3.642 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.248 -1.437 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.777 -1.666 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.272 -1.499 -10.443 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.046 0.670 -11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.477 1.762 -13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.734 0.272 -13.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.444 0.274 -13.238 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.013 1.969 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.001 0.489 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.662 0.631 -9.582 1.00 0.00 H new ATOM 425 N GLU A 31 -19.990 -2.405 -9.531 1.00 0.00 N ATOM 426 CA GLU A 31 -19.137 -2.326 -8.351 1.00 0.00 C ATOM 427 C GLU A 31 -17.676 -2.565 -8.719 1.00 0.00 C ATOM 428 O GLU A 31 -16.768 -2.069 -8.052 1.00 0.00 O ATOM 429 CB GLU A 31 -19.583 -3.348 -7.302 1.00 0.00 C ATOM 430 CG GLU A 31 -19.323 -2.905 -5.872 1.00 0.00 C ATOM 431 CD GLU A 31 -20.059 -3.756 -4.855 1.00 0.00 C ATOM 432 OE1 GLU A 31 -19.516 -4.808 -4.457 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.178 -3.369 -4.458 1.00 0.00 O ATOM 0 H GLU A 31 -20.810 -3.002 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.230 -1.323 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.649 -3.542 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.065 -4.290 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.253 -2.949 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.626 -1.864 -5.757 1.00 0.00 H new ATOM 440 N GLN A 32 -17.457 -3.328 -9.785 1.00 0.00 N ATOM 441 CA GLN A 32 -16.106 -3.634 -10.241 1.00 0.00 C ATOM 442 C GLN A 32 -15.464 -2.415 -10.897 1.00 0.00 C ATOM 443 O GLN A 32 -14.295 -2.116 -10.662 1.00 0.00 O ATOM 444 CB GLN A 32 -16.130 -4.804 -11.226 1.00 0.00 C ATOM 445 CG GLN A 32 -14.765 -5.430 -11.460 1.00 0.00 C ATOM 446 CD GLN A 32 -14.814 -6.586 -12.440 1.00 0.00 C ATOM 447 OE1 GLN A 32 -15.842 -6.841 -13.067 1.00 0.00 O ATOM 448 NE2 GLN A 32 -13.698 -7.293 -12.577 1.00 0.00 N ATOM 0 H GLN A 32 -18.197 -3.746 -10.349 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.510 -3.912 -9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.812 -5.568 -10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.530 -4.458 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.080 -4.669 -11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.363 -5.781 -10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.869 -7.046 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.670 -8.083 -13.222 1.00 0.00 H new ATOM 457 N GLY A 33 -16.239 -1.716 -11.721 1.00 0.00 N ATOM 458 CA GLY A 33 -15.728 -0.538 -12.398 1.00 0.00 C ATOM 459 C GLY A 33 -15.533 0.633 -11.456 1.00 0.00 C ATOM 460 O GLY A 33 -14.649 1.465 -11.664 1.00 0.00 O ATOM 0 H GLY A 33 -17.211 -1.944 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.778 -0.780 -12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.418 -0.251 -13.192 1.00 0.00 H new ATOM 464 N SER A 34 -16.360 0.701 -10.418 1.00 0.00 N ATOM 465 CA SER A 34 -16.278 1.782 -9.444 1.00 0.00 C ATOM 466 C SER A 34 -15.242 1.467 -8.368 1.00 0.00 C ATOM 467 O SER A 34 -14.373 2.286 -8.068 1.00 0.00 O ATOM 468 CB SER A 34 -17.644 2.021 -8.798 1.00 0.00 C ATOM 469 OG SER A 34 -18.408 2.949 -9.548 1.00 0.00 O ATOM 0 H SER A 34 -17.095 0.019 -10.230 1.00 0.00 H new ATOM 0 HA SER A 34 -15.969 2.686 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.184 1.077 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.509 2.393 -7.782 1.00 0.00 H new ATOM 0 HG SER A 34 -19.277 3.083 -9.115 1.00 0.00 H new ATOM 475 N HIS A 35 -15.342 0.273 -7.792 1.00 0.00 N ATOM 476 CA HIS A 35 -14.414 -0.152 -6.750 1.00 0.00 C ATOM 477 C HIS A 35 -12.969 0.054 -7.192 1.00 0.00 C ATOM 478 O HIS A 35 -12.072 0.205 -6.363 1.00 0.00 O ATOM 479 CB HIS A 35 -14.648 -1.622 -6.398 1.00 0.00 C ATOM 480 CG HIS A 35 -13.605 -2.193 -5.488 1.00 0.00 C ATOM 481 ND1 HIS A 35 -13.746 -2.241 -4.118 1.00 0.00 N ATOM 482 CD2 HIS A 35 -12.399 -2.744 -5.760 1.00 0.00 C ATOM 483 CE1 HIS A 35 -12.672 -2.796 -3.586 1.00 0.00 C ATOM 484 NE2 HIS A 35 -11.839 -3.110 -4.561 1.00 0.00 N ATOM 0 H HIS A 35 -16.055 -0.416 -8.029 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.595 0.459 -5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -15.625 -1.723 -5.926 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -14.676 -2.207 -7.317 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -14.554 -1.901 -3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.959 -2.872 -6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.504 -2.964 -2.533 1.00 0.00 H new ATOM 492 N GLU A 36 -12.751 0.058 -8.504 1.00 0.00 N ATOM 493 CA GLU A 36 -11.414 0.243 -9.055 1.00 0.00 C ATOM 494 C GLU A 36 -11.005 1.713 -9.006 1.00 0.00 C ATOM 495 O GLU A 36 -9.818 2.036 -8.954 1.00 0.00 O ATOM 496 CB GLU A 36 -11.357 -0.266 -10.496 1.00 0.00 C ATOM 497 CG GLU A 36 -11.138 -1.766 -10.604 1.00 0.00 C ATOM 498 CD GLU A 36 -10.366 -2.154 -11.850 1.00 0.00 C ATOM 499 OE1 GLU A 36 -10.988 -2.251 -12.928 1.00 0.00 O ATOM 500 OE2 GLU A 36 -9.139 -2.362 -11.746 1.00 0.00 O ATOM 0 H GLU A 36 -13.483 -0.065 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.715 -0.332 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.287 -0.006 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.553 0.249 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.599 -2.115 -9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.104 -2.271 -10.607 1.00 0.00 H new ATOM 507 N ARG A 37 -11.996 2.598 -9.024 1.00 0.00 N ATOM 508 CA ARG A 37 -11.740 4.032 -8.984 1.00 0.00 C ATOM 509 C ARG A 37 -11.176 4.446 -7.628 1.00 0.00 C ATOM 510 O ARG A 37 -10.283 5.291 -7.546 1.00 0.00 O ATOM 511 CB ARG A 37 -13.026 4.810 -9.272 1.00 0.00 C ATOM 512 CG ARG A 37 -13.302 5.001 -10.754 1.00 0.00 C ATOM 513 CD ARG A 37 -14.752 5.387 -11.005 1.00 0.00 C ATOM 514 NE ARG A 37 -15.039 5.540 -12.429 1.00 0.00 N ATOM 515 CZ ARG A 37 -16.257 5.437 -12.948 1.00 0.00 C ATOM 516 NH1 ARG A 37 -17.296 5.182 -12.165 1.00 0.00 N ATOM 517 NH2 ARG A 37 -16.438 5.590 -14.254 1.00 0.00 N ATOM 0 H ARG A 37 -12.984 2.347 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.002 4.265 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.867 4.286 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.964 5.787 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.644 5.774 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.071 4.080 -11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.408 4.626 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.973 6.321 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.261 5.737 -13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.161 5.064 -11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.230 5.104 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.641 5.787 -14.860 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.374 5.511 -14.652 1.00 0.00 H new ATOM 531 N LEU A 38 -11.703 3.847 -6.566 1.00 0.00 N ATOM 532 CA LEU A 38 -11.252 4.153 -5.212 1.00 0.00 C ATOM 533 C LEU A 38 -10.136 3.207 -4.783 1.00 0.00 C ATOM 534 O LEU A 38 -9.276 3.569 -3.979 1.00 0.00 O ATOM 535 CB LEU A 38 -12.422 4.059 -4.231 1.00 0.00 C ATOM 536 CG LEU A 38 -13.479 3.001 -4.546 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.032 2.399 -3.264 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.600 3.600 -5.383 1.00 0.00 C ATOM 0 H LEU A 38 -12.443 3.147 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.862 5.171 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.021 3.859 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.912 5.032 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.007 2.205 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.783 1.648 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.223 1.933 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.487 3.184 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.344 2.833 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.069 4.416 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.191 3.981 -6.319 1.00 0.00 H new ATOM 550 N CYS A 39 -10.154 1.994 -5.325 1.00 0.00 N ATOM 551 CA CYS A 39 -9.143 0.995 -5.000 1.00 0.00 C ATOM 552 C CYS A 39 -7.851 1.260 -5.767 1.00 0.00 C ATOM 553 O CYS A 39 -6.970 0.402 -5.835 1.00 0.00 O ATOM 554 CB CYS A 39 -9.661 -0.408 -5.320 1.00 0.00 C ATOM 555 SG CYS A 39 -8.520 -1.748 -4.848 1.00 0.00 S ATOM 0 H CYS A 39 -10.858 1.679 -5.992 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.931 1.062 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.612 -0.558 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.860 -0.475 -6.390 1.00 0.00 H new ATOM 560 N ARG A 40 -7.745 2.453 -6.343 1.00 0.00 N ATOM 561 CA ARG A 40 -6.561 2.831 -7.106 1.00 0.00 C ATOM 562 C ARG A 40 -5.807 3.962 -6.414 1.00 0.00 C ATOM 563 O ARG A 40 -4.577 3.984 -6.402 1.00 0.00 O ATOM 564 CB ARG A 40 -6.955 3.257 -8.521 1.00 0.00 C ATOM 565 CG ARG A 40 -6.934 2.118 -9.528 1.00 0.00 C ATOM 566 CD ARG A 40 -7.111 2.628 -10.950 1.00 0.00 C ATOM 567 NE ARG A 40 -7.548 1.573 -11.860 1.00 0.00 N ATOM 568 CZ ARG A 40 -7.972 1.799 -13.098 1.00 0.00 C ATOM 569 NH1 ARG A 40 -8.015 3.037 -13.572 1.00 0.00 N ATOM 570 NH2 ARG A 40 -8.353 0.786 -13.866 1.00 0.00 N ATOM 0 H ARG A 40 -8.465 3.174 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.905 1.963 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.955 3.690 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.277 4.041 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.990 1.578 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.728 1.409 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.841 3.437 -10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.169 3.046 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.526 0.609 -11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.722 3.818 -12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.341 3.208 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.320 -0.168 -13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.678 0.961 -14.817 1.00 0.00 H new ATOM 584 N ASN A 41 -6.553 4.900 -5.840 1.00 0.00 N ATOM 585 CA ASN A 41 -5.955 6.035 -5.147 1.00 0.00 C ATOM 586 C ASN A 41 -6.085 5.880 -3.635 1.00 0.00 C ATOM 587 O ASN A 41 -5.188 6.259 -2.883 1.00 0.00 O ATOM 588 CB ASN A 41 -6.617 7.340 -5.596 1.00 0.00 C ATOM 589 CG ASN A 41 -7.054 7.297 -7.047 1.00 0.00 C ATOM 590 OD1 ASN A 41 -8.262 6.801 -7.287 1.00 0.00 O flip ATOM 591 ND2 ASN A 41 -6.313 7.706 -7.942 1.00 0.00 N flip ATOM 0 H ASN A 41 -7.573 4.896 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.896 6.066 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.482 7.541 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.920 8.166 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.392 8.079 -7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.620 7.671 -8.914 1.00 0.00 H new ATOM 598 N ALA A 42 -7.207 5.319 -3.198 1.00 0.00 N ATOM 599 CA ALA A 42 -7.454 5.111 -1.776 1.00 0.00 C ATOM 600 C ALA A 42 -6.148 4.899 -1.018 1.00 0.00 C ATOM 601 O ALA A 42 -5.826 5.649 -0.096 1.00 0.00 O ATOM 602 CB ALA A 42 -8.384 3.924 -1.570 1.00 0.00 C ATOM 0 H ALA A 42 -7.960 5.000 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.933 6.007 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.560 3.780 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.333 4.114 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.926 3.027 -1.987 1.00 0.00 H new ATOM 608 N ALA A 43 -5.400 3.874 -1.412 1.00 0.00 N ATOM 609 CA ALA A 43 -4.128 3.565 -0.769 1.00 0.00 C ATOM 610 C ALA A 43 -3.041 3.299 -1.805 1.00 0.00 C ATOM 611 O ALA A 43 -2.968 2.212 -2.378 1.00 0.00 O ATOM 612 CB ALA A 43 -4.282 2.368 0.157 1.00 0.00 C ATOM 0 H ALA A 43 -5.652 3.243 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.827 4.430 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.325 2.149 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.023 2.594 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.609 1.502 -0.419 1.00 0.00 H new ATOM 618 N VAL A 44 -2.197 4.299 -2.041 1.00 0.00 N ATOM 619 CA VAL A 44 -1.112 4.172 -3.007 1.00 0.00 C ATOM 620 C VAL A 44 0.246 4.311 -2.330 1.00 0.00 C ATOM 621 O VAL A 44 0.562 5.352 -1.754 1.00 0.00 O ATOM 622 CB VAL A 44 -1.228 5.228 -4.122 1.00 0.00 C ATOM 623 CG1 VAL A 44 -0.050 5.126 -5.079 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.545 5.074 -4.867 1.00 0.00 C ATOM 0 H VAL A 44 -2.244 5.206 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.195 3.178 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.209 6.217 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.149 5.880 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.878 5.290 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.034 4.135 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.610 5.828 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.596 4.081 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.374 5.202 -4.171 1.00 0.00 H new ATOM 634 N CYS A 45 1.048 3.253 -2.403 1.00 0.00 N ATOM 635 CA CYS A 45 2.374 3.255 -1.797 1.00 0.00 C ATOM 636 C CYS A 45 3.344 4.104 -2.615 1.00 0.00 C ATOM 637 O CYS A 45 3.631 3.817 -3.777 1.00 0.00 O ATOM 638 CB CYS A 45 2.905 1.826 -1.678 1.00 0.00 C ATOM 639 SG CYS A 45 4.393 1.670 -0.638 1.00 0.00 S ATOM 0 H CYS A 45 0.802 2.383 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 45 2.291 3.688 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.120 1.191 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.131 1.449 -2.676 1.00 0.00 H new ATOM 644 N PRO A 46 3.863 5.174 -1.994 1.00 0.00 N ATOM 645 CA PRO A 46 4.809 6.085 -2.644 1.00 0.00 C ATOM 646 C PRO A 46 6.170 5.438 -2.877 1.00 0.00 C ATOM 647 O PRO A 46 7.114 6.096 -3.314 1.00 0.00 O ATOM 648 CB PRO A 46 4.929 7.241 -1.648 1.00 0.00 C ATOM 649 CG PRO A 46 4.589 6.641 -0.328 1.00 0.00 C ATOM 650 CD PRO A 46 3.566 5.576 -0.609 1.00 0.00 C ATOM 0 HA PRO A 46 4.467 6.390 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.936 7.658 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.248 8.054 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.473 6.217 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.192 7.394 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.659 4.738 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.550 5.959 -0.511 1.00 0.00 H new ATOM 658 N TYR A 47 6.264 4.146 -2.583 1.00 0.00 N ATOM 659 CA TYR A 47 7.511 3.411 -2.758 1.00 0.00 C ATOM 660 C TYR A 47 7.474 2.572 -4.032 1.00 0.00 C ATOM 661 O TYR A 47 8.282 2.766 -4.941 1.00 0.00 O ATOM 662 CB TYR A 47 7.771 2.511 -1.549 1.00 0.00 C ATOM 663 CG TYR A 47 7.875 3.266 -0.243 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.416 4.545 -0.199 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.433 2.700 0.946 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.514 5.239 0.992 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.526 3.387 2.141 1.00 0.00 C ATOM 668 CZ TYR A 47 8.067 4.656 2.159 1.00 0.00 C ATOM 669 OH TYR A 47 8.162 5.342 3.348 1.00 0.00 O ATOM 0 H TYR A 47 5.491 3.586 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 47 8.321 4.135 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.967 1.779 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.694 1.955 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.766 5.005 -1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.010 1.706 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.938 6.232 1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.177 2.933 3.057 1.00 0.00 H new ATOM 0 HH TYR A 47 7.802 4.791 4.074 1.00 0.00 H new ATOM 679 N CYS A 48 6.529 1.640 -4.092 1.00 0.00 N ATOM 680 CA CYS A 48 6.384 0.771 -5.253 1.00 0.00 C ATOM 681 C CYS A 48 5.214 1.217 -6.124 1.00 0.00 C ATOM 682 O CYS A 48 4.997 0.683 -7.212 1.00 0.00 O ATOM 683 CB CYS A 48 6.179 -0.679 -4.808 1.00 0.00 C ATOM 684 SG CYS A 48 4.794 -0.912 -3.648 1.00 0.00 S ATOM 0 H CYS A 48 5.852 1.467 -3.349 1.00 0.00 H new ATOM 0 HA CYS A 48 7.299 0.838 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.009 -1.298 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.096 -1.037 -4.339 1.00 0.00 H new ATOM 689 N SER A 49 4.463 2.200 -5.638 1.00 0.00 N ATOM 690 CA SER A 49 3.312 2.717 -6.370 1.00 0.00 C ATOM 691 C SER A 49 2.208 1.667 -6.458 1.00 0.00 C ATOM 692 O SER A 49 1.625 1.450 -7.521 1.00 0.00 O ATOM 693 CB SER A 49 3.729 3.153 -7.776 1.00 0.00 C ATOM 694 OG SER A 49 4.843 4.028 -7.728 1.00 0.00 O ATOM 0 H SER A 49 4.631 2.655 -4.740 1.00 0.00 H new ATOM 0 HA SER A 49 2.926 3.581 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.977 2.276 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.893 3.649 -8.269 1.00 0.00 H new ATOM 0 HG SER A 49 5.092 4.291 -8.639 1.00 0.00 H new ATOM 700 N LEU A 50 1.927 1.019 -5.333 1.00 0.00 N ATOM 701 CA LEU A 50 0.893 -0.009 -5.281 1.00 0.00 C ATOM 702 C LEU A 50 -0.489 0.617 -5.124 1.00 0.00 C ATOM 703 O LEU A 50 -0.628 1.840 -5.093 1.00 0.00 O ATOM 704 CB LEU A 50 1.163 -0.974 -4.125 1.00 0.00 C ATOM 705 CG LEU A 50 1.920 -2.253 -4.482 1.00 0.00 C ATOM 706 CD1 LEU A 50 2.411 -2.952 -3.223 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.038 -3.185 -5.301 1.00 0.00 C ATOM 0 H LEU A 50 2.400 1.187 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 50 0.917 -0.562 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.728 -0.443 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.208 -1.253 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 50 2.787 -1.982 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.948 -3.860 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.079 -2.287 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.559 -3.210 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.594 -4.090 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.152 -3.448 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.736 -2.685 -6.221 1.00 0.00 H new ATOM 719 N ARG A 51 -1.509 -0.230 -5.022 1.00 0.00 N ATOM 720 CA ARG A 51 -2.880 0.240 -4.867 1.00 0.00 C ATOM 721 C ARG A 51 -3.716 -0.771 -4.088 1.00 0.00 C ATOM 722 O ARG A 51 -4.050 -1.841 -4.598 1.00 0.00 O ATOM 723 CB ARG A 51 -3.513 0.494 -6.236 1.00 0.00 C ATOM 724 CG ARG A 51 -2.762 1.517 -7.074 1.00 0.00 C ATOM 725 CD ARG A 51 -3.327 1.606 -8.483 1.00 0.00 C ATOM 726 NE ARG A 51 -2.319 2.028 -9.451 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.465 1.194 -10.034 1.00 0.00 C ATOM 728 NH1 ARG A 51 -1.499 -0.100 -9.750 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.576 1.655 -10.906 1.00 0.00 N ATOM 0 H ARG A 51 -1.411 -1.245 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.856 1.175 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.562 -0.447 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.539 0.835 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.820 2.494 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.707 1.247 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.726 0.635 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.159 2.310 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.268 3.018 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.182 -0.458 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.842 -0.738 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.549 2.650 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.079 1.014 -11.353 1.00 0.00 H new ATOM 743 N PHE A 52 -4.051 -0.425 -2.850 1.00 0.00 N ATOM 744 CA PHE A 52 -4.847 -1.303 -1.999 1.00 0.00 C ATOM 745 C PHE A 52 -6.267 -0.767 -1.842 1.00 0.00 C ATOM 746 O PHE A 52 -6.505 0.436 -1.957 1.00 0.00 O ATOM 747 CB PHE A 52 -4.190 -1.451 -0.625 1.00 0.00 C ATOM 748 CG PHE A 52 -2.741 -1.840 -0.693 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.799 -0.967 -1.210 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.322 -3.080 -0.238 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.465 -1.323 -1.274 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.989 -3.442 -0.299 1.00 0.00 C ATOM 753 CZ PHE A 52 -0.060 -2.562 -0.816 1.00 0.00 C ATOM 0 H PHE A 52 -3.784 0.457 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.898 -2.282 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.280 -0.509 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.733 -2.201 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.110 0.003 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.045 -3.772 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.260 -0.634 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.675 -4.412 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.982 -2.841 -0.863 1.00 0.00 H new ATOM 763 N PHE A 53 -7.208 -1.667 -1.578 1.00 0.00 N ATOM 764 CA PHE A 53 -8.605 -1.286 -1.406 1.00 0.00 C ATOM 765 C PHE A 53 -8.752 -0.241 -0.303 1.00 0.00 C ATOM 766 O PHE A 53 -9.395 0.791 -0.493 1.00 0.00 O ATOM 767 CB PHE A 53 -9.454 -2.515 -1.075 1.00 0.00 C ATOM 768 CG PHE A 53 -10.814 -2.177 -0.535 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.561 -1.153 -1.095 1.00 0.00 C ATOM 770 CD2 PHE A 53 -11.345 -2.882 0.533 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.813 -0.839 -0.601 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.596 -2.573 1.031 1.00 0.00 C ATOM 773 CZ PHE A 53 -13.331 -1.550 0.465 1.00 0.00 C ATOM 0 H PHE A 53 -7.028 -2.666 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.955 -0.852 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.569 -3.120 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.924 -3.127 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.160 -0.594 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.775 -3.682 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -13.386 -0.039 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.999 -3.131 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.308 -1.306 0.854 1.00 0.00 H new ATOM 783 N SER A 54 -8.150 -0.518 0.849 1.00 0.00 N ATOM 784 CA SER A 54 -8.217 0.395 1.984 1.00 0.00 C ATOM 785 C SER A 54 -6.845 0.992 2.283 1.00 0.00 C ATOM 786 O SER A 54 -5.807 0.436 1.926 1.00 0.00 O ATOM 787 CB SER A 54 -8.749 -0.332 3.221 1.00 0.00 C ATOM 788 OG SER A 54 -10.166 -0.347 3.233 1.00 0.00 O ATOM 0 H SER A 54 -7.611 -1.367 1.021 1.00 0.00 H new ATOM 0 HA SER A 54 -8.899 1.205 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.371 -1.354 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.380 0.158 4.122 1.00 0.00 H new ATOM 0 HG SER A 54 -10.481 -0.819 4.032 1.00 0.00 H new ATOM 794 N PRO A 55 -6.839 2.154 2.954 1.00 0.00 N ATOM 795 CA PRO A 55 -5.603 2.853 3.317 1.00 0.00 C ATOM 796 C PRO A 55 -4.814 2.114 4.392 1.00 0.00 C ATOM 797 O PRO A 55 -3.588 2.210 4.451 1.00 0.00 O ATOM 798 CB PRO A 55 -6.099 4.200 3.847 1.00 0.00 C ATOM 799 CG PRO A 55 -7.485 3.931 4.325 1.00 0.00 C ATOM 800 CD PRO A 55 -8.040 2.874 3.411 1.00 0.00 C ATOM 0 HA PRO A 55 -4.920 2.939 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.465 4.565 4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.090 4.960 3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.481 3.589 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.092 4.835 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.730 2.212 3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.588 3.312 2.577 1.00 0.00 H new ATOM 808 N GLU A 56 -5.524 1.378 5.241 1.00 0.00 N ATOM 809 CA GLU A 56 -4.889 0.624 6.315 1.00 0.00 C ATOM 810 C GLU A 56 -4.047 -0.519 5.753 1.00 0.00 C ATOM 811 O GLU A 56 -2.952 -0.798 6.243 1.00 0.00 O ATOM 812 CB GLU A 56 -5.945 0.070 7.274 1.00 0.00 C ATOM 813 CG GLU A 56 -6.317 1.032 8.390 1.00 0.00 C ATOM 814 CD GLU A 56 -6.574 2.439 7.886 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.722 2.727 7.489 1.00 0.00 O ATOM 816 OE2 GLU A 56 -5.625 3.251 7.890 1.00 0.00 O ATOM 0 H GLU A 56 -6.539 1.288 5.206 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.233 1.302 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.842 -0.181 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.575 -0.857 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.208 0.664 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.514 1.055 9.127 1.00 0.00 H new ATOM 823 N LEU A 57 -4.566 -1.176 4.722 1.00 0.00 N ATOM 824 CA LEU A 57 -3.864 -2.289 4.093 1.00 0.00 C ATOM 825 C LEU A 57 -2.500 -1.848 3.572 1.00 0.00 C ATOM 826 O LEU A 57 -1.524 -2.594 3.646 1.00 0.00 O ATOM 827 CB LEU A 57 -4.699 -2.862 2.946 1.00 0.00 C ATOM 828 CG LEU A 57 -5.690 -3.965 3.323 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.593 -4.296 2.146 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.950 -5.208 3.796 1.00 0.00 C ATOM 0 H LEU A 57 -5.470 -0.957 4.304 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.713 -3.062 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.254 -2.045 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.020 -3.255 2.189 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.312 -3.604 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.291 -5.082 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.150 -3.406 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.987 -4.637 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.671 -5.982 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.303 -5.572 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.346 -4.962 4.669 1.00 0.00 H new ATOM 842 N LYS A 58 -2.439 -0.629 3.047 1.00 0.00 N ATOM 843 CA LYS A 58 -1.195 -0.085 2.517 1.00 0.00 C ATOM 844 C LYS A 58 -0.179 0.137 3.633 1.00 0.00 C ATOM 845 O LYS A 58 0.990 -0.224 3.501 1.00 0.00 O ATOM 846 CB LYS A 58 -1.461 1.232 1.785 1.00 0.00 C ATOM 847 CG LYS A 58 -0.290 2.199 1.827 1.00 0.00 C ATOM 848 CD LYS A 58 -0.386 3.140 3.016 1.00 0.00 C ATOM 849 CE LYS A 58 0.108 4.535 2.665 1.00 0.00 C ATOM 850 NZ LYS A 58 0.612 5.263 3.862 1.00 0.00 N ATOM 0 H LYS A 58 -3.238 0.001 2.977 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.783 -0.808 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.706 1.017 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.334 1.713 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.644 1.639 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.262 2.779 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.420 3.194 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.201 2.743 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.903 4.463 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.703 5.103 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.062 6.152 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.182 5.474 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.308 4.672 4.360 1.00 0.00 H new ATOM 864 N GLN A 59 -0.633 0.733 4.730 1.00 0.00 N ATOM 865 CA GLN A 59 0.237 1.002 5.869 1.00 0.00 C ATOM 866 C GLN A 59 0.980 -0.259 6.296 1.00 0.00 C ATOM 867 O GLN A 59 2.134 -0.197 6.718 1.00 0.00 O ATOM 868 CB GLN A 59 -0.578 1.550 7.042 1.00 0.00 C ATOM 869 CG GLN A 59 -1.146 2.938 6.793 1.00 0.00 C ATOM 870 CD GLN A 59 -1.356 3.721 8.074 1.00 0.00 C ATOM 871 OE1 GLN A 59 -0.568 3.618 9.015 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.423 4.509 8.118 1.00 0.00 N ATOM 0 H GLN A 59 -1.598 1.039 4.855 1.00 0.00 H new ATOM 0 HA GLN A 59 0.971 1.749 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.398 0.864 7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.053 1.579 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.471 3.491 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.096 2.849 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.050 4.564 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.616 5.059 8.955 1.00 0.00 H new ATOM 881 N GLU A 60 0.311 -1.402 6.183 1.00 0.00 N ATOM 882 CA GLU A 60 0.909 -2.678 6.559 1.00 0.00 C ATOM 883 C GLU A 60 2.021 -3.064 5.588 1.00 0.00 C ATOM 884 O GLU A 60 3.111 -3.462 6.001 1.00 0.00 O ATOM 885 CB GLU A 60 -0.157 -3.776 6.594 1.00 0.00 C ATOM 886 CG GLU A 60 -1.425 -3.370 7.326 1.00 0.00 C ATOM 887 CD GLU A 60 -2.644 -4.135 6.849 1.00 0.00 C ATOM 888 OE1 GLU A 60 -2.477 -5.270 6.356 1.00 0.00 O ATOM 889 OE2 GLU A 60 -3.765 -3.597 6.969 1.00 0.00 O ATOM 0 H GLU A 60 -0.645 -1.471 5.834 1.00 0.00 H new ATOM 0 HA GLU A 60 1.340 -2.569 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.412 -4.056 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.261 -4.662 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.292 -3.536 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.594 -2.302 7.188 1.00 0.00 H new ATOM 896 N HIS A 61 1.738 -2.945 4.295 1.00 0.00 N ATOM 897 CA HIS A 61 2.713 -3.281 3.264 1.00 0.00 C ATOM 898 C HIS A 61 3.952 -2.399 3.380 1.00 0.00 C ATOM 899 O HIS A 61 5.077 -2.896 3.433 1.00 0.00 O ATOM 900 CB HIS A 61 2.092 -3.128 1.875 1.00 0.00 C ATOM 901 CG HIS A 61 3.104 -2.993 0.778 1.00 0.00 C ATOM 902 ND1 HIS A 61 3.672 -4.075 0.140 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.647 -1.893 0.206 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.522 -3.647 -0.776 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.525 -2.326 -0.756 1.00 0.00 N ATOM 0 H HIS A 61 0.841 -2.618 3.936 1.00 0.00 H new ATOM 0 HA HIS A 61 3.013 -4.319 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.460 -3.993 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.444 -2.252 1.870 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.468 -5.053 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.430 -0.866 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.114 -4.271 -1.430 1.00 0.00 H new ATOM 913 N GLU A 62 3.738 -1.087 3.418 1.00 0.00 N ATOM 914 CA GLU A 62 4.838 -0.137 3.526 1.00 0.00 C ATOM 915 C GLU A 62 5.902 -0.644 4.496 1.00 0.00 C ATOM 916 O GLU A 62 7.092 -0.380 4.322 1.00 0.00 O ATOM 917 CB GLU A 62 4.320 1.227 3.988 1.00 0.00 C ATOM 918 CG GLU A 62 4.043 2.191 2.846 1.00 0.00 C ATOM 919 CD GLU A 62 3.237 3.398 3.285 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.618 3.336 4.368 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.223 4.404 2.545 1.00 0.00 O ATOM 0 H GLU A 62 2.813 -0.659 3.376 1.00 0.00 H new ATOM 0 HA GLU A 62 5.290 -0.031 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.404 1.083 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.051 1.675 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.989 2.526 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.505 1.667 2.056 1.00 0.00 H new ATOM 928 N SER A 63 5.464 -1.372 5.518 1.00 0.00 N ATOM 929 CA SER A 63 6.376 -1.913 6.518 1.00 0.00 C ATOM 930 C SER A 63 7.230 -3.030 5.927 1.00 0.00 C ATOM 931 O SER A 63 8.426 -3.129 6.206 1.00 0.00 O ATOM 932 CB SER A 63 5.593 -2.437 7.723 1.00 0.00 C ATOM 933 OG SER A 63 6.466 -2.945 8.717 1.00 0.00 O ATOM 0 H SER A 63 4.482 -1.601 5.675 1.00 0.00 H new ATOM 0 HA SER A 63 7.036 -1.109 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.986 -1.635 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.907 -3.221 7.402 1.00 0.00 H new ATOM 0 HG SER A 63 5.941 -3.272 9.477 1.00 0.00 H new ATOM 939 N LYS A 64 6.608 -3.872 5.108 1.00 0.00 N ATOM 940 CA LYS A 64 7.309 -4.983 4.475 1.00 0.00 C ATOM 941 C LYS A 64 7.682 -4.641 3.037 1.00 0.00 C ATOM 942 O LYS A 64 8.071 -5.515 2.261 1.00 0.00 O ATOM 943 CB LYS A 64 6.440 -6.242 4.503 1.00 0.00 C ATOM 944 CG LYS A 64 5.096 -6.069 3.817 1.00 0.00 C ATOM 945 CD LYS A 64 4.015 -6.900 4.489 1.00 0.00 C ATOM 946 CE LYS A 64 3.666 -6.353 5.864 1.00 0.00 C ATOM 947 NZ LYS A 64 3.231 -7.430 6.796 1.00 0.00 N ATOM 0 H LYS A 64 5.619 -3.806 4.867 1.00 0.00 H new ATOM 0 HA LYS A 64 8.226 -5.169 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.981 -7.057 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.274 -6.536 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.811 -5.017 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.181 -6.359 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.122 -6.912 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.353 -7.932 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.532 -5.840 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.872 -5.612 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.002 -7.016 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.389 -7.903 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.998 -8.124 6.907 1.00 0.00 H new ATOM 961 N CYS A 65 7.564 -3.365 2.686 1.00 0.00 N ATOM 962 CA CYS A 65 7.890 -2.907 1.341 1.00 0.00 C ATOM 963 C CYS A 65 9.400 -2.886 1.125 1.00 0.00 C ATOM 964 O CYS A 65 10.122 -2.145 1.792 1.00 0.00 O ATOM 965 CB CYS A 65 7.309 -1.512 1.100 1.00 0.00 C ATOM 966 SG CYS A 65 7.422 -0.949 -0.629 1.00 0.00 S ATOM 0 H CYS A 65 7.244 -2.629 3.316 1.00 0.00 H new ATOM 0 HA CYS A 65 7.449 -3.605 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.262 -1.508 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.829 -0.798 1.738 1.00 0.00 H new ATOM 971 N GLU A 66 9.870 -3.703 0.188 1.00 0.00 N ATOM 972 CA GLU A 66 11.295 -3.778 -0.115 1.00 0.00 C ATOM 973 C GLU A 66 11.788 -2.475 -0.736 1.00 0.00 C ATOM 974 O GLU A 66 12.991 -2.224 -0.805 1.00 0.00 O ATOM 975 CB GLU A 66 11.576 -4.946 -1.062 1.00 0.00 C ATOM 976 CG GLU A 66 10.747 -4.911 -2.335 1.00 0.00 C ATOM 977 CD GLU A 66 9.439 -5.667 -2.199 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.023 -5.933 -1.053 1.00 0.00 O ATOM 979 OE2 GLU A 66 8.831 -5.991 -3.241 1.00 0.00 O ATOM 0 H GLU A 66 9.286 -4.322 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 66 11.832 -3.940 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.633 -4.942 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.382 -5.882 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.538 -3.875 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.326 -5.338 -3.154 1.00 0.00 H new ATOM 986 N TYR A 67 10.850 -1.649 -1.187 1.00 0.00 N ATOM 987 CA TYR A 67 11.188 -0.373 -1.806 1.00 0.00 C ATOM 988 C TYR A 67 11.323 0.724 -0.753 1.00 0.00 C ATOM 989 O TYR A 67 12.078 1.680 -0.929 1.00 0.00 O ATOM 990 CB TYR A 67 10.124 0.018 -2.833 1.00 0.00 C ATOM 991 CG TYR A 67 10.035 -0.934 -4.004 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.267 -2.089 -3.929 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.718 -0.676 -5.187 1.00 0.00 C ATOM 994 CE1 TYR A 67 9.183 -2.962 -4.997 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.639 -1.543 -6.260 1.00 0.00 C ATOM 996 CZ TYR A 67 9.871 -2.684 -6.160 1.00 0.00 C ATOM 997 OH TYR A 67 9.789 -3.550 -7.227 1.00 0.00 O ATOM 0 H TYR A 67 9.849 -1.841 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 67 12.147 -0.486 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.154 0.065 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.341 1.019 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.726 -2.309 -3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.320 0.217 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.582 -3.856 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.176 -1.328 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 67 10.331 -3.208 -7.968 1.00 0.00 H new ATOM 1007 N LYS A 68 10.585 0.577 0.342 1.00 0.00 N ATOM 1008 CA LYS A 68 10.621 1.552 1.425 1.00 0.00 C ATOM 1009 C LYS A 68 12.056 1.964 1.739 1.00 0.00 C ATOM 1010 O LYS A 68 12.416 3.136 1.621 1.00 0.00 O ATOM 1011 CB LYS A 68 9.958 0.977 2.679 1.00 0.00 C ATOM 1012 CG LYS A 68 9.929 1.944 3.850 1.00 0.00 C ATOM 1013 CD LYS A 68 9.667 1.224 5.162 1.00 0.00 C ATOM 1014 CE LYS A 68 9.957 2.119 6.357 1.00 0.00 C ATOM 1015 NZ LYS A 68 11.389 2.060 6.761 1.00 0.00 N ATOM 0 H LYS A 68 9.954 -0.208 0.503 1.00 0.00 H new ATOM 0 HA LYS A 68 10.070 2.436 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.937 0.682 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.489 0.073 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.879 2.474 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.155 2.694 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.628 0.895 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.287 0.329 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.691 3.147 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.330 1.818 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.545 2.684 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.637 1.083 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.986 2.372 5.969 1.00 0.00 H new ATOM 1029 N LYS A 69 12.871 0.994 2.138 1.00 0.00 N ATOM 1030 CA LYS A 69 14.268 1.254 2.466 1.00 0.00 C ATOM 1031 C LYS A 69 15.014 1.818 1.261 1.00 0.00 C ATOM 1032 O LYS A 69 15.797 2.760 1.388 1.00 0.00 O ATOM 1033 CB LYS A 69 14.948 -0.030 2.945 1.00 0.00 C ATOM 1034 CG LYS A 69 15.031 -1.109 1.879 1.00 0.00 C ATOM 1035 CD LYS A 69 15.306 -2.474 2.487 1.00 0.00 C ATOM 1036 CE LYS A 69 15.343 -3.561 1.424 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.763 -4.874 1.987 1.00 0.00 N ATOM 0 H LYS A 69 12.588 0.020 2.242 1.00 0.00 H new ATOM 0 HA LYS A 69 14.296 1.993 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.955 0.208 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.403 -0.421 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.096 -1.141 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.820 -0.860 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.257 -2.451 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.535 -2.708 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.357 -3.659 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.031 -3.269 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.776 -5.588 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.715 -4.787 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.092 -5.165 2.727 1.00 0.00 H new ATOM 1051 N LEU A 70 14.765 1.238 0.092 1.00 0.00 N ATOM 1052 CA LEU A 70 15.412 1.684 -1.137 1.00 0.00 C ATOM 1053 C LEU A 70 14.993 3.108 -1.487 1.00 0.00 C ATOM 1054 O LEU A 70 15.540 3.720 -2.405 1.00 0.00 O ATOM 1055 CB LEU A 70 15.067 0.740 -2.290 1.00 0.00 C ATOM 1056 CG LEU A 70 15.592 -0.691 -2.167 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.074 -1.550 -3.310 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.113 -0.699 -2.137 1.00 0.00 C ATOM 0 H LEU A 70 14.120 0.458 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 70 16.490 1.672 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.982 0.700 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.455 1.170 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 70 15.228 -1.113 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.458 -2.565 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.984 -1.570 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.408 -1.132 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.470 -1.725 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.497 -0.259 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.463 -0.119 -1.283 1.00 0.00 H new ATOM 1070 N THR A 71 14.020 3.632 -0.748 1.00 0.00 N ATOM 1071 CA THR A 71 13.527 4.984 -0.980 1.00 0.00 C ATOM 1072 C THR A 71 14.171 5.975 -0.017 1.00 0.00 C ATOM 1073 O THR A 71 13.887 5.967 1.181 1.00 0.00 O ATOM 1074 CB THR A 71 11.996 5.058 -0.828 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.377 4.015 -1.589 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.471 6.409 -1.290 1.00 0.00 C ATOM 0 H THR A 71 13.558 3.140 0.017 1.00 0.00 H new ATOM 0 HA THR A 71 13.795 5.248 -2.003 1.00 0.00 H new ATOM 0 HB THR A 71 11.751 4.932 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.408 3.177 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.388 6.438 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.922 7.199 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.727 6.560 -2.339 1.00 0.00 H new ATOM 1084 N CYS A 72 15.039 6.830 -0.548 1.00 0.00 N ATOM 1085 CA CYS A 72 15.723 7.829 0.264 1.00 0.00 C ATOM 1086 C CYS A 72 14.731 8.838 0.835 1.00 0.00 C ATOM 1087 O CYS A 72 14.441 9.861 0.213 1.00 0.00 O ATOM 1088 CB CYS A 72 16.783 8.554 -0.568 1.00 0.00 C ATOM 1089 SG CYS A 72 17.952 9.544 0.417 1.00 0.00 S ATOM 0 H CYS A 72 15.285 6.851 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 72 16.210 7.316 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.343 7.818 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.284 9.207 -1.284 1.00 0.00 H new ATOM 1094 N LEU A 73 14.213 8.543 2.022 1.00 0.00 N ATOM 1095 CA LEU A 73 13.253 9.425 2.678 1.00 0.00 C ATOM 1096 C LEU A 73 13.806 10.842 2.794 1.00 0.00 C ATOM 1097 O LEU A 73 13.053 11.815 2.774 1.00 0.00 O ATOM 1098 CB LEU A 73 12.904 8.886 4.067 1.00 0.00 C ATOM 1099 CG LEU A 73 12.519 7.408 4.137 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.384 6.959 5.583 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.226 7.157 3.375 1.00 0.00 C ATOM 0 H LEU A 73 14.441 7.701 2.550 1.00 0.00 H new ATOM 0 HA LEU A 73 12.350 9.457 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.759 9.049 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.078 9.475 4.466 1.00 0.00 H new ATOM 0 HG LEU A 73 13.312 6.824 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.110 5.905 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.334 7.101 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.612 7.549 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.967 6.100 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.425 7.752 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.359 7.439 2.330 1.00 0.00 H new ATOM 1113 N GLU A 74 15.125 10.949 2.914 1.00 0.00 N ATOM 1114 CA GLU A 74 15.778 12.248 3.031 1.00 0.00 C ATOM 1115 C GLU A 74 15.345 13.178 1.902 1.00 0.00 C ATOM 1116 O GLU A 74 14.782 14.246 2.143 1.00 0.00 O ATOM 1117 CB GLU A 74 17.299 12.082 3.015 1.00 0.00 C ATOM 1118 CG GLU A 74 17.879 11.659 4.354 1.00 0.00 C ATOM 1119 CD GLU A 74 18.092 12.830 5.294 1.00 0.00 C ATOM 1120 OE1 GLU A 74 18.316 13.954 4.801 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.033 12.620 6.524 1.00 0.00 O ATOM 0 H GLU A 74 15.762 10.153 2.933 1.00 0.00 H new ATOM 0 HA GLU A 74 15.478 12.693 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.567 11.341 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.756 13.024 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.210 10.938 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.830 11.152 4.190 1.00 0.00 H new ATOM 1128 N CYS A 75 15.612 12.765 0.667 1.00 0.00 N ATOM 1129 CA CYS A 75 15.252 13.560 -0.501 1.00 0.00 C ATOM 1130 C CYS A 75 14.318 12.781 -1.422 1.00 0.00 C ATOM 1131 O CYS A 75 14.391 12.904 -2.645 1.00 0.00 O ATOM 1132 CB CYS A 75 16.509 13.979 -1.266 1.00 0.00 C ATOM 1133 SG CYS A 75 17.368 12.603 -2.095 1.00 0.00 S ATOM 0 H CYS A 75 16.077 11.884 0.450 1.00 0.00 H new ATOM 0 HA CYS A 75 14.731 14.453 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 75 16.235 14.725 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 75 17.200 14.460 -0.573 1.00 0.00 H new ATOM 1138 N MET A 76 13.442 11.978 -0.827 1.00 0.00 N ATOM 1139 CA MET A 76 12.493 11.180 -1.594 1.00 0.00 C ATOM 1140 C MET A 76 13.107 10.727 -2.915 1.00 0.00 C ATOM 1141 O MET A 76 12.540 10.954 -3.984 1.00 0.00 O ATOM 1142 CB MET A 76 11.217 11.981 -1.859 1.00 0.00 C ATOM 1143 CG MET A 76 10.425 12.295 -0.601 1.00 0.00 C ATOM 1144 SD MET A 76 10.142 10.838 0.424 1.00 0.00 S ATOM 1145 CE MET A 76 9.634 9.647 -0.813 1.00 0.00 C ATOM 0 H MET A 76 13.370 11.863 0.184 1.00 0.00 H new ATOM 0 HA MET A 76 12.243 10.296 -1.008 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.481 12.915 -2.355 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.583 11.422 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.959 13.046 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.465 12.730 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.019 8.878 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.058 10.151 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.516 9.186 -1.258 1.00 0.00 H new ATOM 1155 N ARG A 77 14.269 10.086 -2.834 1.00 0.00 N ATOM 1156 CA ARG A 77 14.959 9.603 -4.024 1.00 0.00 C ATOM 1157 C ARG A 77 15.119 8.086 -3.982 1.00 0.00 C ATOM 1158 O ARG A 77 15.984 7.560 -3.280 1.00 0.00 O ATOM 1159 CB ARG A 77 16.332 10.267 -4.148 1.00 0.00 C ATOM 1160 CG ARG A 77 17.022 9.996 -5.474 1.00 0.00 C ATOM 1161 CD ARG A 77 18.077 11.048 -5.779 1.00 0.00 C ATOM 1162 NE ARG A 77 17.499 12.242 -6.389 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.278 12.368 -7.693 1.00 0.00 C ATOM 1164 NH1 ARG A 77 17.586 11.377 -8.519 1.00 0.00 N ATOM 1165 NH2 ARG A 77 16.748 13.486 -8.173 1.00 0.00 N ATOM 0 H ARG A 77 14.752 9.889 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 77 14.356 9.864 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.218 11.344 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.971 9.916 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.486 9.010 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.282 9.979 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.591 11.324 -4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.827 10.626 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 77 17.251 13.022 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.993 10.516 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.416 11.476 -9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.510 14.250 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.579 13.581 -9.174 1.00 0.00 H new ATOM 1179 N THR A 78 14.277 7.386 -4.737 1.00 0.00 N ATOM 1180 CA THR A 78 14.323 5.930 -4.784 1.00 0.00 C ATOM 1181 C THR A 78 15.377 5.446 -5.773 1.00 0.00 C ATOM 1182 O THR A 78 15.729 6.153 -6.718 1.00 0.00 O ATOM 1183 CB THR A 78 12.957 5.338 -5.177 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.904 6.072 -4.542 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.869 3.872 -4.780 1.00 0.00 C ATOM 0 H THR A 78 13.555 7.804 -5.324 1.00 0.00 H new ATOM 0 HA THR A 78 14.584 5.589 -3.782 1.00 0.00 H new ATOM 0 HB THR A 78 12.851 5.413 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.039 5.690 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.895 3.475 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.654 3.310 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.995 3.779 -3.701 1.00 0.00 H new ATOM 1193 N PHE A 79 15.878 4.235 -5.552 1.00 0.00 N ATOM 1194 CA PHE A 79 16.893 3.655 -6.424 1.00 0.00 C ATOM 1195 C PHE A 79 16.494 2.249 -6.863 1.00 0.00 C ATOM 1196 O PHE A 79 15.423 1.756 -6.508 1.00 0.00 O ATOM 1197 CB PHE A 79 18.246 3.615 -5.711 1.00 0.00 C ATOM 1198 CG PHE A 79 18.896 4.963 -5.581 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.326 5.948 -4.791 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.077 5.244 -6.249 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.921 7.190 -4.671 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.677 6.484 -6.132 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.099 7.457 -5.342 1.00 0.00 C ATOM 0 H PHE A 79 15.597 3.636 -4.776 1.00 0.00 H new ATOM 0 HA PHE A 79 16.976 4.283 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.111 3.188 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.915 2.949 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.406 5.743 -4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.534 4.486 -6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.466 7.950 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.597 6.691 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.567 8.426 -5.248 1.00 0.00 H new ATOM 1213 N LYS A 80 17.363 1.609 -7.638 1.00 0.00 N ATOM 1214 CA LYS A 80 17.105 0.260 -8.126 1.00 0.00 C ATOM 1215 C LYS A 80 17.711 -0.782 -7.191 1.00 0.00 C ATOM 1216 O LYS A 80 17.103 -1.819 -6.925 1.00 0.00 O ATOM 1217 CB LYS A 80 17.674 0.088 -9.536 1.00 0.00 C ATOM 1218 CG LYS A 80 17.615 -1.342 -10.045 1.00 0.00 C ATOM 1219 CD LYS A 80 16.205 -1.730 -10.457 1.00 0.00 C ATOM 1220 CE LYS A 80 16.215 -2.781 -11.557 1.00 0.00 C ATOM 1221 NZ LYS A 80 14.840 -3.103 -12.029 1.00 0.00 N ATOM 0 H LYS A 80 18.253 2.004 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 80 16.026 0.112 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.124 0.732 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.710 0.425 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.287 -1.454 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.968 -2.020 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.664 -2.113 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.669 -0.846 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.812 -2.423 -12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.694 -3.688 -11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.890 -3.823 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.277 -3.468 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.392 -2.243 -12.404 1.00 0.00 H new ATOM 1235 N SER A 81 18.911 -0.499 -6.695 1.00 0.00 N ATOM 1236 CA SER A 81 19.600 -1.413 -5.792 1.00 0.00 C ATOM 1237 C SER A 81 20.023 -0.697 -4.513 1.00 0.00 C ATOM 1238 O SER A 81 20.170 0.525 -4.492 1.00 0.00 O ATOM 1239 CB SER A 81 20.825 -2.017 -6.480 1.00 0.00 C ATOM 1240 OG SER A 81 20.450 -2.772 -7.620 1.00 0.00 O ATOM 0 H SER A 81 19.426 0.356 -6.903 1.00 0.00 H new ATOM 0 HA SER A 81 18.909 -2.213 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.509 -1.221 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.362 -2.655 -5.778 1.00 0.00 H new ATOM 0 HG SER A 81 21.251 -3.146 -8.043 1.00 0.00 H new ATOM 1246 N SER A 82 20.216 -1.468 -3.447 1.00 0.00 N ATOM 1247 CA SER A 82 20.619 -0.908 -2.162 1.00 0.00 C ATOM 1248 C SER A 82 22.037 -0.350 -2.232 1.00 0.00 C ATOM 1249 O SER A 82 22.325 0.715 -1.686 1.00 0.00 O ATOM 1250 CB SER A 82 20.531 -1.974 -1.068 1.00 0.00 C ATOM 1251 OG SER A 82 20.484 -1.381 0.218 1.00 0.00 O ATOM 0 H SER A 82 20.100 -2.481 -3.448 1.00 0.00 H new ATOM 0 HA SER A 82 19.939 -0.092 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.642 -2.586 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.392 -2.639 -1.134 1.00 0.00 H new ATOM 0 HG SER A 82 20.426 -2.083 0.900 1.00 0.00 H new ATOM 1257 N PHE A 83 22.919 -1.078 -2.909 1.00 0.00 N ATOM 1258 CA PHE A 83 24.308 -0.658 -3.051 1.00 0.00 C ATOM 1259 C PHE A 83 24.401 0.677 -3.784 1.00 0.00 C ATOM 1260 O PHE A 83 25.183 1.550 -3.409 1.00 0.00 O ATOM 1261 CB PHE A 83 25.111 -1.722 -3.803 1.00 0.00 C ATOM 1262 CG PHE A 83 26.399 -1.206 -4.377 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.464 -0.888 -3.550 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.546 -1.041 -5.745 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.650 -0.412 -4.076 1.00 0.00 C ATOM 1266 CE2 PHE A 83 27.730 -0.566 -6.277 1.00 0.00 C ATOM 1267 CZ PHE A 83 28.784 -0.252 -5.442 1.00 0.00 C ATOM 0 H PHE A 83 22.696 -1.961 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 83 24.727 -0.534 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.329 -2.547 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.499 -2.125 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.366 -1.014 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 83 25.726 -1.286 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.472 -0.165 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 83 27.831 -0.441 -7.345 1.00 0.00 H new ATOM 0 HZ PHE A 83 29.711 0.118 -5.855 1.00 0.00 H new ATOM 1277 N SER A 84 23.596 0.827 -4.831 1.00 0.00 N ATOM 1278 CA SER A 84 23.590 2.053 -5.620 1.00 0.00 C ATOM 1279 C SER A 84 23.237 3.257 -4.751 1.00 0.00 C ATOM 1280 O SER A 84 23.981 4.236 -4.696 1.00 0.00 O ATOM 1281 CB SER A 84 22.594 1.935 -6.776 1.00 0.00 C ATOM 1282 OG SER A 84 22.880 0.805 -7.581 1.00 0.00 O ATOM 0 H SER A 84 22.940 0.115 -5.152 1.00 0.00 H new ATOM 0 HA SER A 84 24.591 2.200 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.581 1.857 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.630 2.838 -7.385 1.00 0.00 H new ATOM 0 HG SER A 84 22.229 0.751 -8.311 1.00 0.00 H new ATOM 1288 N ILE A 85 22.096 3.175 -4.074 1.00 0.00 N ATOM 1289 CA ILE A 85 21.644 4.257 -3.207 1.00 0.00 C ATOM 1290 C ILE A 85 22.596 4.453 -2.032 1.00 0.00 C ATOM 1291 O ILE A 85 22.883 5.582 -1.634 1.00 0.00 O ATOM 1292 CB ILE A 85 20.227 3.990 -2.666 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.794 5.119 -1.729 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.178 2.649 -1.948 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.356 5.008 -1.273 1.00 0.00 C ATOM 0 H ILE A 85 21.468 2.372 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 85 21.628 5.162 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 85 19.534 3.955 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.445 5.124 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.933 6.074 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.170 2.475 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.448 1.854 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.881 2.657 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.119 5.841 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.696 5.034 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.215 4.069 -0.738 1.00 0.00 H new ATOM 1307 N TRP A 86 23.084 3.346 -1.482 1.00 0.00 N ATOM 1308 CA TRP A 86 24.005 3.397 -0.353 1.00 0.00 C ATOM 1309 C TRP A 86 25.045 4.494 -0.547 1.00 0.00 C ATOM 1310 O TRP A 86 25.320 5.271 0.368 1.00 0.00 O ATOM 1311 CB TRP A 86 24.699 2.045 -0.174 1.00 0.00 C ATOM 1312 CG TRP A 86 25.422 1.917 1.133 1.00 0.00 C ATOM 1313 CD1 TRP A 86 24.889 2.066 2.382 1.00 0.00 C ATOM 1314 CD2 TRP A 86 26.809 1.615 1.320 1.00 0.00 C ATOM 1315 NE1 TRP A 86 25.862 1.875 3.334 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.048 1.596 2.708 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.871 1.356 0.449 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.306 1.331 3.242 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.119 1.093 0.982 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.328 1.081 2.367 1.00 0.00 C ATOM 0 H TRP A 86 22.857 2.404 -1.800 1.00 0.00 H new ATOM 0 HA TRP A 86 23.429 3.624 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 86 23.956 1.251 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.408 1.898 -0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 86 23.855 2.299 2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 86 25.723 1.932 4.343 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.719 1.361 -0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.470 1.323 4.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 29.948 0.893 0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.315 0.870 2.752 1.00 0.00 H new ATOM 1331 N ARG A 87 25.620 4.553 -1.744 1.00 0.00 N ATOM 1332 CA ARG A 87 26.631 5.556 -2.057 1.00 0.00 C ATOM 1333 C ARG A 87 26.026 6.957 -2.054 1.00 0.00 C ATOM 1334 O ARG A 87 26.639 7.908 -1.567 1.00 0.00 O ATOM 1335 CB ARG A 87 27.263 5.265 -3.420 1.00 0.00 C ATOM 1336 CG ARG A 87 27.910 3.893 -3.510 1.00 0.00 C ATOM 1337 CD ARG A 87 29.117 3.783 -2.592 1.00 0.00 C ATOM 1338 NE ARG A 87 30.143 4.770 -2.917 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.051 5.200 -2.047 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.060 4.731 -0.807 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.953 6.100 -2.418 1.00 0.00 N ATOM 0 H ARG A 87 25.403 3.918 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 87 27.403 5.510 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.497 5.348 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.014 6.026 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.180 3.128 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.215 3.701 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.799 3.917 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.540 2.781 -2.668 1.00 0.00 H new ATOM 0 HE ARG A 87 30.164 5.150 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.369 4.038 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 87 31.758 5.063 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.950 6.462 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.650 6.429 -1.750 1.00 0.00 H new ATOM 1355 N HIS A 88 24.821 7.077 -2.601 1.00 0.00 N ATOM 1356 CA HIS A 88 24.133 8.362 -2.661 1.00 0.00 C ATOM 1357 C HIS A 88 23.830 8.882 -1.259 1.00 0.00 C ATOM 1358 O HIS A 88 23.632 10.081 -1.062 1.00 0.00 O ATOM 1359 CB HIS A 88 22.837 8.234 -3.461 1.00 0.00 C ATOM 1360 CG HIS A 88 21.856 9.334 -3.194 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.948 10.581 -3.775 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.758 9.368 -2.403 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.949 11.335 -3.352 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.213 10.623 -2.519 1.00 0.00 N ATOM 0 H HIS A 88 24.301 6.300 -3.009 1.00 0.00 H new ATOM 0 HA HIS A 88 24.790 9.075 -3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.076 8.222 -4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.369 7.277 -3.229 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.674 10.875 -4.429 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.381 8.559 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.766 12.360 -3.639 1.00 0.00 H new ATOM 1372 N GLN A 89 23.796 7.973 -0.291 1.00 0.00 N ATOM 1373 CA GLN A 89 23.516 8.341 1.092 1.00 0.00 C ATOM 1374 C GLN A 89 24.809 8.508 1.884 1.00 0.00 C ATOM 1375 O GLN A 89 24.898 9.351 2.776 1.00 0.00 O ATOM 1376 CB GLN A 89 22.632 7.283 1.754 1.00 0.00 C ATOM 1377 CG GLN A 89 21.196 7.291 1.256 1.00 0.00 C ATOM 1378 CD GLN A 89 20.226 6.694 2.257 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.539 6.569 3.442 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.042 6.322 1.786 1.00 0.00 N ATOM 0 H GLN A 89 23.959 6.977 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 89 22.988 9.295 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.064 6.298 1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.635 7.442 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.898 8.316 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.137 6.733 0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.825 6.444 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.349 5.914 2.413 1.00 0.00 H new ATOM 1389 N VAL A 90 25.809 7.698 1.552 1.00 0.00 N ATOM 1390 CA VAL A 90 27.098 7.756 2.231 1.00 0.00 C ATOM 1391 C VAL A 90 27.982 8.849 1.640 1.00 0.00 C ATOM 1392 O VAL A 90 28.906 9.333 2.292 1.00 0.00 O ATOM 1393 CB VAL A 90 27.839 6.409 2.146 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.264 6.549 2.660 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.087 5.337 2.921 1.00 0.00 C ATOM 0 H VAL A 90 25.751 6.994 0.817 1.00 0.00 H new ATOM 0 HA VAL A 90 26.894 7.984 3.277 1.00 0.00 H new ATOM 0 HB VAL A 90 27.884 6.105 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.772 5.587 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.798 7.284 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.245 6.877 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.625 4.392 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.008 5.632 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.088 5.218 2.502 1.00 0.00 H new ATOM 1405 N GLU A 91 27.690 9.232 0.401 1.00 0.00 N ATOM 1406 CA GLU A 91 28.459 10.268 -0.278 1.00 0.00 C ATOM 1407 C GLU A 91 27.807 11.636 -0.099 1.00 0.00 C ATOM 1408 O GLU A 91 28.491 12.653 0.016 1.00 0.00 O ATOM 1409 CB GLU A 91 28.590 9.944 -1.768 1.00 0.00 C ATOM 1410 CG GLU A 91 29.420 8.703 -2.050 1.00 0.00 C ATOM 1411 CD GLU A 91 30.150 8.779 -3.377 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.529 8.468 -4.415 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.342 9.150 -3.378 1.00 0.00 O ATOM 0 H GLU A 91 26.928 8.841 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 91 29.453 10.297 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.594 9.809 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 91 29.040 10.796 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.145 8.565 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.771 7.828 -2.046 1.00 0.00 H new ATOM 1420 N VAL A 92 26.478 11.653 -0.078 1.00 0.00 N ATOM 1421 CA VAL A 92 25.731 12.894 0.087 1.00 0.00 C ATOM 1422 C VAL A 92 25.275 13.074 1.530 1.00 0.00 C ATOM 1423 O VAL A 92 25.723 13.986 2.226 1.00 0.00 O ATOM 1424 CB VAL A 92 24.501 12.936 -0.838 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.832 14.301 -0.776 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.896 12.591 -2.266 1.00 0.00 C ATOM 0 H VAL A 92 25.896 10.821 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 92 26.406 13.707 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 92 23.784 12.191 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.965 14.311 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.512 14.503 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.539 15.067 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 92 24.014 12.626 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.632 13.311 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.325 11.589 -2.293 1.00 0.00 H new ATOM 1436 N HIS A 93 24.382 12.196 1.976 1.00 0.00 N ATOM 1437 CA HIS A 93 23.865 12.257 3.339 1.00 0.00 C ATOM 1438 C HIS A 93 24.841 11.614 4.319 1.00 0.00 C ATOM 1439 O HIS A 93 24.538 11.460 5.501 1.00 0.00 O ATOM 1440 CB HIS A 93 22.507 11.559 3.423 1.00 0.00 C ATOM 1441 CG HIS A 93 21.512 12.061 2.421 1.00 0.00 C ATOM 1442 ND1 HIS A 93 21.300 11.709 1.132 1.00 0.00 N flip ATOM 1443 CD2 HIS A 93 20.590 13.046 2.705 1.00 0.00 C flip ATOM 1444 CE1 HIS A 93 20.264 12.479 0.664 1.00 0.00 C flip ATOM 1445 NE2 HIS A 93 19.853 13.278 1.633 1.00 0.00 N flip ATOM 0 H HIS A 93 24.002 11.434 1.414 1.00 0.00 H new ATOM 0 HA HIS A 93 23.744 13.306 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.649 10.488 3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.100 11.693 4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 93 21.814 11.003 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.486 13.549 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.852 12.438 -0.334 1.00 0.00 H new ATOM 1453 N ASN A 94 26.015 11.241 3.819 1.00 0.00 N ATOM 1454 CA ASN A 94 27.035 10.614 4.651 1.00 0.00 C ATOM 1455 C ASN A 94 26.398 9.795 5.770 1.00 0.00 C ATOM 1456 O ASN A 94 26.731 9.964 6.942 1.00 0.00 O ATOM 1457 CB ASN A 94 27.962 11.676 5.246 1.00 0.00 C ATOM 1458 CG ASN A 94 28.524 12.609 4.190 1.00 0.00 C ATOM 1459 OD1 ASN A 94 27.700 13.542 3.726 1.00 0.00 O flip ATOM 1460 ND2 ASN A 94 29.685 12.493 3.798 1.00 0.00 N flip ATOM 0 H ASN A 94 26.283 11.362 2.842 1.00 0.00 H new ATOM 0 HA ASN A 94 27.619 9.943 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.415 12.258 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 94 28.784 11.186 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.282 11.761 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 94 30.050 13.129 3.089 1.00 0.00 H new ATOM 1467 N GLN A 95 25.480 8.908 5.398 1.00 0.00 N ATOM 1468 CA GLN A 95 24.796 8.064 6.370 1.00 0.00 C ATOM 1469 C GLN A 95 25.115 6.592 6.132 1.00 0.00 C ATOM 1470 O GLN A 95 24.333 5.870 5.515 1.00 0.00 O ATOM 1471 CB GLN A 95 23.285 8.289 6.299 1.00 0.00 C ATOM 1472 CG GLN A 95 22.796 9.417 7.193 1.00 0.00 C ATOM 1473 CD GLN A 95 21.418 9.915 6.803 1.00 0.00 C ATOM 1474 OE1 GLN A 95 21.305 11.216 6.563 1.00 0.00 O flip ATOM 1475 NE2 GLN A 95 20.465 9.139 6.718 1.00 0.00 N flip ATOM 0 H GLN A 95 25.193 8.756 4.431 1.00 0.00 H new ATOM 0 HA GLN A 95 25.150 8.338 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.006 8.507 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.775 7.367 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 95 22.775 9.073 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.504 10.245 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.597 8.146 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 95 19.544 9.489 6.454 1.00 0.00 H new ATOM 1484 N ASN A 96 26.269 6.154 6.624 1.00 0.00 N ATOM 1485 CA ASN A 96 26.691 4.767 6.463 1.00 0.00 C ATOM 1486 C ASN A 96 26.318 3.939 7.689 1.00 0.00 C ATOM 1487 O ASN A 96 27.087 3.844 8.644 1.00 0.00 O ATOM 1488 CB ASN A 96 28.201 4.696 6.226 1.00 0.00 C ATOM 1489 CG ASN A 96 28.986 5.481 7.260 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.075 6.706 7.189 1.00 0.00 O ATOM 1491 ND2 ASN A 96 29.560 4.775 8.228 1.00 0.00 N ATOM 0 H ASN A 96 26.929 6.739 7.137 1.00 0.00 H new ATOM 0 HA ASN A 96 26.174 4.354 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.521 3.654 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.429 5.081 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 96 30.101 5.248 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.460 3.760 8.247 1.00 0.00 H new ATOM 1498 N ASN A 97 25.132 3.341 7.654 1.00 0.00 N ATOM 1499 CA ASN A 97 24.656 2.521 8.762 1.00 0.00 C ATOM 1500 C ASN A 97 24.767 1.036 8.427 1.00 0.00 C ATOM 1501 O ASN A 97 24.955 0.663 7.269 1.00 0.00 O ATOM 1502 CB ASN A 97 23.205 2.872 9.097 1.00 0.00 C ATOM 1503 CG ASN A 97 22.307 2.846 7.875 1.00 0.00 C ATOM 1504 OD1 ASN A 97 22.180 1.821 7.205 1.00 0.00 O ATOM 1505 ND2 ASN A 97 21.678 3.977 7.580 1.00 0.00 N ATOM 0 H ASN A 97 24.483 3.409 6.870 1.00 0.00 H new ATOM 0 HA ASN A 97 25.283 2.728 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.826 2.169 9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 97 23.169 3.863 9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.060 4.020 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.813 4.803 8.163 1.00 0.00 H new ATOM 1512 N MET A 98 24.649 0.194 9.448 1.00 0.00 N ATOM 1513 CA MET A 98 24.735 -1.250 9.261 1.00 0.00 C ATOM 1514 C MET A 98 24.126 -1.662 7.925 1.00 0.00 C ATOM 1515 O MET A 98 22.906 -1.664 7.762 1.00 0.00 O ATOM 1516 CB MET A 98 24.024 -1.976 10.405 1.00 0.00 C ATOM 1517 CG MET A 98 24.865 -2.096 11.665 1.00 0.00 C ATOM 1518 SD MET A 98 24.767 -0.628 12.708 1.00 0.00 S ATOM 1519 CE MET A 98 25.640 -1.190 14.167 1.00 0.00 C ATOM 0 H MET A 98 24.494 0.486 10.413 1.00 0.00 H new ATOM 0 HA MET A 98 25.788 -1.530 9.261 1.00 0.00 H new ATOM 0 HB2 MET A 98 23.102 -1.446 10.643 1.00 0.00 H new ATOM 0 HB3 MET A 98 23.741 -2.974 10.071 1.00 0.00 H new ATOM 0 HG2 MET A 98 24.536 -2.965 12.235 1.00 0.00 H new ATOM 0 HG3 MET A 98 25.905 -2.271 11.388 1.00 0.00 H new ATOM 0 HE1 MET A 98 25.664 -0.390 14.907 1.00 0.00 H new ATOM 0 HE2 MET A 98 25.129 -2.057 14.586 1.00 0.00 H new ATOM 0 HE3 MET A 98 26.660 -1.465 13.897 1.00 0.00 H new ATOM 1529 N ALA A 99 24.984 -2.011 6.972 1.00 0.00 N ATOM 1530 CA ALA A 99 24.530 -2.427 5.651 1.00 0.00 C ATOM 1531 C ALA A 99 24.232 -3.922 5.618 1.00 0.00 C ATOM 1532 O ALA A 99 24.956 -4.737 6.192 1.00 0.00 O ATOM 1533 CB ALA A 99 25.570 -2.071 4.599 1.00 0.00 C ATOM 0 H ALA A 99 25.997 -2.014 7.090 1.00 0.00 H new ATOM 0 HA ALA A 99 23.606 -1.894 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 99 25.218 -2.388 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 99 25.731 -0.993 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.508 -2.577 4.828 1.00 0.00 H new ATOM 1539 N PRO A 100 23.142 -4.294 4.932 1.00 0.00 N ATOM 1540 CA PRO A 100 22.723 -5.694 4.808 1.00 0.00 C ATOM 1541 C PRO A 100 23.671 -6.507 3.934 1.00 0.00 C ATOM 1542 O PRO A 100 23.423 -7.681 3.654 1.00 0.00 O ATOM 1543 CB PRO A 100 21.343 -5.595 4.153 1.00 0.00 C ATOM 1544 CG PRO A 100 21.367 -4.303 3.413 1.00 0.00 C ATOM 1545 CD PRO A 100 22.233 -3.378 4.223 1.00 0.00 C ATOM 0 HA PRO A 100 22.717 -6.204 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 100 21.163 -6.433 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 100 20.549 -5.609 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.770 -4.436 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 100 20.361 -3.898 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 100 22.780 -2.681 3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 100 21.643 -2.780 4.918 1.00 0.00 H new ATOM 1553 N THR A 101 24.760 -5.877 3.504 1.00 0.00 N ATOM 1554 CA THR A 101 25.745 -6.542 2.660 1.00 0.00 C ATOM 1555 C THR A 101 26.903 -7.086 3.490 1.00 0.00 C ATOM 1556 O THR A 101 27.929 -6.425 3.650 1.00 0.00 O ATOM 1557 CB THR A 101 26.302 -5.588 1.587 1.00 0.00 C ATOM 1558 OG1 THR A 101 27.220 -6.286 0.739 1.00 0.00 O ATOM 1559 CG2 THR A 101 27.000 -4.399 2.230 1.00 0.00 C ATOM 0 H THR A 101 24.982 -4.907 3.727 1.00 0.00 H new ATOM 0 HA THR A 101 25.233 -7.369 2.169 1.00 0.00 H new ATOM 0 HB THR A 101 25.467 -5.220 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 101 27.568 -5.672 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.385 -3.739 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 101 26.290 -3.852 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.826 -4.752 2.848 1.00 0.00 H new ATOM 1567 N SER A 102 26.731 -8.294 4.017 1.00 0.00 N ATOM 1568 CA SER A 102 27.761 -8.925 4.834 1.00 0.00 C ATOM 1569 C SER A 102 27.979 -10.374 4.410 1.00 0.00 C ATOM 1570 O SER A 102 27.370 -11.292 4.959 1.00 0.00 O ATOM 1571 CB SER A 102 27.375 -8.867 6.313 1.00 0.00 C ATOM 1572 OG SER A 102 26.126 -9.496 6.540 1.00 0.00 O ATOM 0 H SER A 102 25.888 -8.855 3.893 1.00 0.00 H new ATOM 0 HA SER A 102 28.692 -8.378 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 102 28.145 -9.354 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 102 27.327 -7.828 6.639 1.00 0.00 H new ATOM 0 HG SER A 102 26.102 -10.355 6.069 1.00 0.00 H new ATOM 1578 N GLY A 103 28.852 -10.572 3.427 1.00 0.00 N ATOM 1579 CA GLY A 103 29.135 -11.911 2.945 1.00 0.00 C ATOM 1580 C GLY A 103 29.470 -11.936 1.467 1.00 0.00 C ATOM 1581 O GLY A 103 28.732 -11.413 0.632 1.00 0.00 O ATOM 0 H GLY A 103 29.368 -9.829 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.968 -12.329 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 103 28.272 -12.550 3.130 1.00 0.00 H new ATOM 1585 N PRO A 104 30.609 -12.556 1.124 1.00 0.00 N ATOM 1586 CA PRO A 104 31.067 -12.661 -0.264 1.00 0.00 C ATOM 1587 C PRO A 104 30.193 -13.597 -1.093 1.00 0.00 C ATOM 1588 O PRO A 104 30.430 -13.788 -2.286 1.00 0.00 O ATOM 1589 CB PRO A 104 32.481 -13.230 -0.130 1.00 0.00 C ATOM 1590 CG PRO A 104 32.473 -13.963 1.167 1.00 0.00 C ATOM 1591 CD PRO A 104 31.538 -13.203 2.066 1.00 0.00 C ATOM 0 HA PRO A 104 31.026 -11.702 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 104 32.720 -13.896 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 104 33.229 -12.437 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 104 32.136 -14.991 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 104 33.474 -14.010 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 104 31.015 -13.867 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 104 32.071 -12.470 2.672 1.00 0.00 H new ATOM 1599 N SER A 105 29.183 -14.178 -0.454 1.00 0.00 N ATOM 1600 CA SER A 105 28.276 -15.097 -1.132 1.00 0.00 C ATOM 1601 C SER A 105 26.882 -15.038 -0.515 1.00 0.00 C ATOM 1602 O SER A 105 26.724 -14.695 0.657 1.00 0.00 O ATOM 1603 CB SER A 105 28.818 -16.526 -1.061 1.00 0.00 C ATOM 1604 OG SER A 105 27.879 -17.453 -1.577 1.00 0.00 O ATOM 0 H SER A 105 28.972 -14.029 0.533 1.00 0.00 H new ATOM 0 HA SER A 105 28.205 -14.794 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 105 29.748 -16.594 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 105 29.053 -16.778 -0.027 1.00 0.00 H new ATOM 0 HG SER A 105 28.249 -18.359 -1.522 1.00 0.00 H new ATOM 1610 N SER A 106 25.874 -15.377 -1.312 1.00 0.00 N ATOM 1611 CA SER A 106 24.492 -15.359 -0.847 1.00 0.00 C ATOM 1612 C SER A 106 23.987 -16.776 -0.592 1.00 0.00 C ATOM 1613 O SER A 106 23.701 -17.523 -1.527 1.00 0.00 O ATOM 1614 CB SER A 106 23.596 -14.663 -1.873 1.00 0.00 C ATOM 1615 OG SER A 106 22.278 -14.507 -1.375 1.00 0.00 O ATOM 0 H SER A 106 25.988 -15.668 -2.283 1.00 0.00 H new ATOM 0 HA SER A 106 24.457 -14.805 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.012 -13.687 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.574 -15.244 -2.795 1.00 0.00 H new ATOM 0 HG SER A 106 21.725 -14.058 -2.048 1.00 0.00 H new ATOM 1621 N GLY A 107 23.881 -17.139 0.683 1.00 0.00 N ATOM 1622 CA GLY A 107 23.411 -18.465 1.040 1.00 0.00 C ATOM 1623 C GLY A 107 22.039 -18.440 1.684 1.00 0.00 C ATOM 1624 O GLY A 107 21.282 -17.500 1.444 1.00 0.00 O ATOM 0 H GLY A 107 24.112 -16.539 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 107 23.378 -19.088 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.122 -18.927 1.725 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -9.656 -3.739 -5.219 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.368 -0.280 -1.482 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 18.803 11.362 -0.761 1.00 0.00 ZN