USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot 180:sc= -0.104 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.13 K(o=-2.2,f=-2.8!) USER MOD Set 2.1: A 51 ASN : amide:sc= -2.11! C(o=-2.7!,f=-8.4!) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.547 K(o=-2.7,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0314 (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 USER MOD Single : A 6 SER OG : rot -11:sc= 0.892 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.034) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.291) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -109:sc= -10.3! (180deg=-13.9!) USER MOD Single : A 49 ASN : amide:sc= -0.817! X(o=-0.82!,f=-1) USER MOD Single : A 59 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.2!) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.481 (180deg=-1.93) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.0211 (180deg=-0.279) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.697 K(o=-0.7,f=-3!) USER MOD Single : A 81 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.49) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 39:sc= 0.903 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.620 -45.482 19.184 1.00 0.00 N ATOM 2 CA GLY A 1 4.612 -45.127 18.187 1.00 0.00 C ATOM 3 C GLY A 1 4.797 -43.628 18.060 1.00 0.00 C ATOM 4 O GLY A 1 4.600 -42.888 19.024 1.00 0.00 O ATOM 0 H1 GLY A 1 3.954 -46.302 19.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.470 -44.678 19.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.724 -45.721 18.713 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.565 -45.587 18.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.315 -45.536 17.221 1.00 0.00 H new ATOM 8 N SER A 2 5.177 -43.178 16.869 1.00 0.00 N ATOM 9 CA SER A 2 5.393 -41.758 16.621 1.00 0.00 C ATOM 10 C SER A 2 5.103 -41.410 15.164 1.00 0.00 C ATOM 11 O SER A 2 5.483 -42.144 14.252 1.00 0.00 O ATOM 12 CB SER A 2 6.830 -41.370 16.973 1.00 0.00 C ATOM 13 OG SER A 2 7.152 -40.087 16.465 1.00 0.00 O ATOM 0 H SER A 2 5.342 -43.777 16.060 1.00 0.00 H new ATOM 0 HA SER A 2 4.707 -41.196 17.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.957 -41.378 18.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.520 -42.109 16.566 1.00 0.00 H new ATOM 0 HG SER A 2 8.075 -39.862 16.705 1.00 0.00 H new ATOM 19 N SER A 3 4.427 -40.285 14.954 1.00 0.00 N ATOM 20 CA SER A 3 4.082 -39.840 13.609 1.00 0.00 C ATOM 21 C SER A 3 3.433 -38.459 13.643 1.00 0.00 C ATOM 22 O SER A 3 3.176 -37.908 14.713 1.00 0.00 O ATOM 23 CB SER A 3 3.137 -40.843 12.944 1.00 0.00 C ATOM 24 OG SER A 3 3.242 -40.783 11.532 1.00 0.00 O ATOM 0 H SER A 3 4.107 -39.665 15.698 1.00 0.00 H new ATOM 0 HA SER A 3 5.002 -39.776 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.371 -41.851 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.110 -40.635 13.245 1.00 0.00 H new ATOM 0 HG SER A 3 2.630 -41.434 11.130 1.00 0.00 H new ATOM 30 N GLY A 4 3.172 -37.906 12.463 1.00 0.00 N ATOM 31 CA GLY A 4 2.556 -36.594 12.379 1.00 0.00 C ATOM 32 C GLY A 4 2.315 -36.158 10.947 1.00 0.00 C ATOM 33 O GLY A 4 3.071 -36.519 10.045 1.00 0.00 O ATOM 0 H GLY A 4 3.376 -38.342 11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.608 -36.606 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.195 -35.864 12.876 1.00 0.00 H new ATOM 37 N SER A 5 1.257 -35.381 10.737 1.00 0.00 N ATOM 38 CA SER A 5 0.915 -34.899 9.404 1.00 0.00 C ATOM 39 C SER A 5 -0.069 -33.736 9.483 1.00 0.00 C ATOM 40 O SER A 5 -1.141 -33.854 10.075 1.00 0.00 O ATOM 41 CB SER A 5 0.317 -36.032 8.567 1.00 0.00 C ATOM 42 OG SER A 5 0.161 -35.639 7.215 1.00 0.00 O ATOM 0 H SER A 5 0.622 -35.072 11.473 1.00 0.00 H new ATOM 0 HA SER A 5 1.829 -34.547 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.962 -36.909 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.650 -36.321 8.979 1.00 0.00 H new ATOM 0 HG SER A 5 -0.221 -36.381 6.701 1.00 0.00 H new ATOM 48 N SER A 6 0.305 -32.611 8.880 1.00 0.00 N ATOM 49 CA SER A 6 -0.542 -31.424 8.884 1.00 0.00 C ATOM 50 C SER A 6 -0.032 -30.390 7.884 1.00 0.00 C ATOM 51 O SER A 6 1.070 -30.515 7.353 1.00 0.00 O ATOM 52 CB SER A 6 -0.592 -30.813 10.286 1.00 0.00 C ATOM 53 OG SER A 6 -1.250 -31.677 11.196 1.00 0.00 O ATOM 0 H SER A 6 1.188 -32.497 8.383 1.00 0.00 H new ATOM 0 HA SER A 6 -1.548 -31.724 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.421 -30.615 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.110 -29.855 10.250 1.00 0.00 H new ATOM 0 HG SER A 6 -1.683 -32.404 10.702 1.00 0.00 H new ATOM 59 N GLY A 7 -0.845 -29.368 7.633 1.00 0.00 N ATOM 60 CA GLY A 7 -0.461 -28.327 6.698 1.00 0.00 C ATOM 61 C GLY A 7 -1.525 -27.258 6.551 1.00 0.00 C ATOM 62 O GLY A 7 -2.724 -27.531 6.625 1.00 0.00 O ATOM 0 H GLY A 7 -1.763 -29.243 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.468 -27.867 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.262 -28.773 5.724 1.00 0.00 H new ATOM 66 N PRO A 8 -1.089 -26.008 6.340 1.00 0.00 N ATOM 67 CA PRO A 8 -1.997 -24.868 6.179 1.00 0.00 C ATOM 68 C PRO A 8 -2.771 -24.925 4.867 1.00 0.00 C ATOM 69 O PRO A 8 -2.480 -25.747 3.997 1.00 0.00 O ATOM 70 CB PRO A 8 -1.057 -23.660 6.194 1.00 0.00 C ATOM 71 CG PRO A 8 0.255 -24.196 5.734 1.00 0.00 C ATOM 72 CD PRO A 8 0.326 -25.610 6.240 1.00 0.00 C ATOM 0 HA PRO A 8 -2.759 -24.841 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.416 -22.871 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.981 -23.230 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.329 -24.167 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.079 -23.600 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.877 -26.255 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.829 -25.667 7.206 1.00 0.00 H new ATOM 80 N LEU A 9 -3.758 -24.046 4.729 1.00 0.00 N ATOM 81 CA LEU A 9 -4.575 -23.996 3.522 1.00 0.00 C ATOM 82 C LEU A 9 -4.110 -22.876 2.596 1.00 0.00 C ATOM 83 O LEU A 9 -3.693 -21.805 3.038 1.00 0.00 O ATOM 84 CB LEU A 9 -6.047 -23.793 3.886 1.00 0.00 C ATOM 85 CG LEU A 9 -6.725 -24.957 4.610 1.00 0.00 C ATOM 86 CD1 LEU A 9 -8.062 -24.519 5.188 1.00 0.00 C ATOM 87 CD2 LEU A 9 -6.911 -26.137 3.667 1.00 0.00 C ATOM 0 H LEU A 9 -4.012 -23.358 5.438 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.464 -24.946 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.127 -22.905 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.602 -23.587 2.971 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.082 -25.272 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.530 -25.360 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.903 -23.706 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.712 -24.177 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.395 -26.956 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.533 -25.835 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.939 -26.467 3.301 1.00 0.00 H new ATOM 99 N PRO A 10 -4.183 -23.127 1.280 1.00 0.00 N ATOM 100 CA PRO A 10 -3.777 -22.151 0.265 1.00 0.00 C ATOM 101 C PRO A 10 -4.727 -20.961 0.191 1.00 0.00 C ATOM 102 O PRO A 10 -5.679 -20.865 0.966 1.00 0.00 O ATOM 103 CB PRO A 10 -3.823 -22.955 -1.037 1.00 0.00 C ATOM 104 CG PRO A 10 -4.805 -24.044 -0.776 1.00 0.00 C ATOM 105 CD PRO A 10 -4.670 -24.382 0.683 1.00 0.00 C ATOM 0 HA PRO A 10 -2.800 -21.720 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.136 -22.333 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.842 -23.358 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.819 -23.719 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.598 -24.914 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.623 -24.689 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.969 -25.201 0.843 1.00 0.00 H new ATOM 113 N SER A 11 -4.463 -20.056 -0.746 1.00 0.00 N ATOM 114 CA SER A 11 -5.294 -18.870 -0.919 1.00 0.00 C ATOM 115 C SER A 11 -5.243 -18.377 -2.362 1.00 0.00 C ATOM 116 O SER A 11 -4.212 -18.474 -3.029 1.00 0.00 O ATOM 117 CB SER A 11 -4.836 -17.759 0.027 1.00 0.00 C ATOM 118 OG SER A 11 -5.385 -16.509 -0.351 1.00 0.00 O ATOM 0 H SER A 11 -3.680 -20.121 -1.397 1.00 0.00 H new ATOM 0 HA SER A 11 -6.323 -19.139 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.137 -17.998 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.748 -17.698 0.022 1.00 0.00 H new ATOM 0 HG SER A 11 -5.079 -15.816 0.270 1.00 0.00 H new ATOM 124 N THR A 12 -6.365 -17.848 -2.840 1.00 0.00 N ATOM 125 CA THR A 12 -6.451 -17.340 -4.203 1.00 0.00 C ATOM 126 C THR A 12 -5.778 -15.978 -4.326 1.00 0.00 C ATOM 127 O THR A 12 -6.426 -14.983 -4.651 1.00 0.00 O ATOM 128 CB THR A 12 -7.915 -17.221 -4.667 1.00 0.00 C ATOM 129 OG1 THR A 12 -8.633 -18.415 -4.337 1.00 0.00 O ATOM 130 CG2 THR A 12 -7.990 -16.976 -6.166 1.00 0.00 C ATOM 0 H THR A 12 -7.227 -17.760 -2.302 1.00 0.00 H new ATOM 0 HA THR A 12 -5.933 -18.057 -4.840 1.00 0.00 H new ATOM 0 HB THR A 12 -8.367 -16.372 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.563 -18.330 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.034 -16.896 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.469 -16.050 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.521 -17.806 -6.694 1.00 0.00 H new ATOM 138 N GLN A 13 -4.475 -15.941 -4.066 1.00 0.00 N ATOM 139 CA GLN A 13 -3.715 -14.700 -4.149 1.00 0.00 C ATOM 140 C GLN A 13 -2.708 -14.753 -5.293 1.00 0.00 C ATOM 141 O GLN A 13 -2.066 -15.777 -5.520 1.00 0.00 O ATOM 142 CB GLN A 13 -2.991 -14.432 -2.828 1.00 0.00 C ATOM 143 CG GLN A 13 -3.817 -13.633 -1.833 1.00 0.00 C ATOM 144 CD GLN A 13 -3.917 -12.166 -2.201 1.00 0.00 C ATOM 145 OE1 GLN A 13 -3.082 -11.355 -1.798 1.00 0.00 O ATOM 146 NE2 GLN A 13 -4.941 -11.817 -2.970 1.00 0.00 N ATOM 0 H GLN A 13 -3.924 -16.756 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.415 -13.887 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.714 -15.384 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.065 -13.895 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.819 -14.058 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.373 -13.725 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.609 -12.522 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.060 -10.843 -3.250 1.00 0.00 H new ATOM 155 N ASN A 14 -2.576 -13.642 -6.011 1.00 0.00 N ATOM 156 CA ASN A 14 -1.647 -13.563 -7.132 1.00 0.00 C ATOM 157 C ASN A 14 -0.620 -12.457 -6.911 1.00 0.00 C ATOM 158 O ASN A 14 -0.721 -11.377 -7.491 1.00 0.00 O ATOM 159 CB ASN A 14 -2.409 -13.313 -8.436 1.00 0.00 C ATOM 160 CG ASN A 14 -3.549 -14.294 -8.636 1.00 0.00 C ATOM 161 OD1 ASN A 14 -3.343 -15.508 -8.649 1.00 0.00 O ATOM 162 ND2 ASN A 14 -4.759 -13.770 -8.794 1.00 0.00 N ATOM 0 H ASN A 14 -3.100 -12.785 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.120 -14.515 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.804 -12.297 -8.434 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.719 -13.385 -9.277 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.565 -14.380 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.883 -12.758 -8.776 1.00 0.00 H new ATOM 169 N GLY A 15 0.369 -12.735 -6.067 1.00 0.00 N ATOM 170 CA GLY A 15 1.401 -11.755 -5.784 1.00 0.00 C ATOM 171 C GLY A 15 0.843 -10.488 -5.166 1.00 0.00 C ATOM 172 O GLY A 15 -0.270 -10.060 -5.473 1.00 0.00 O ATOM 0 H GLY A 15 0.474 -13.622 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.137 -12.191 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.924 -11.506 -6.707 1.00 0.00 H new ATOM 176 N PRO A 16 1.626 -9.867 -4.271 1.00 0.00 N ATOM 177 CA PRO A 16 1.224 -8.634 -3.588 1.00 0.00 C ATOM 178 C PRO A 16 1.184 -7.436 -4.531 1.00 0.00 C ATOM 179 O PRO A 16 1.995 -7.331 -5.452 1.00 0.00 O ATOM 180 CB PRO A 16 2.312 -8.445 -2.529 1.00 0.00 C ATOM 181 CG PRO A 16 3.502 -9.155 -3.076 1.00 0.00 C ATOM 182 CD PRO A 16 2.965 -10.321 -3.858 1.00 0.00 C ATOM 0 HA PRO A 16 0.217 -8.705 -3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.523 -7.389 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.008 -8.864 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.091 -8.496 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.158 -9.492 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.594 -10.552 -4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.913 -11.224 -3.249 1.00 0.00 H new ATOM 190 N VAL A 17 0.236 -6.535 -4.295 1.00 0.00 N ATOM 191 CA VAL A 17 0.092 -5.343 -5.123 1.00 0.00 C ATOM 192 C VAL A 17 0.882 -4.174 -4.545 1.00 0.00 C ATOM 193 O VAL A 17 0.902 -3.963 -3.332 1.00 0.00 O ATOM 194 CB VAL A 17 -1.386 -4.931 -5.261 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.508 -3.640 -6.056 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.190 -6.046 -5.912 1.00 0.00 C ATOM 0 H VAL A 17 -0.444 -6.607 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 17 0.486 -5.592 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.792 -4.755 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.559 -3.364 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.966 -2.845 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.087 -3.784 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.232 -5.739 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.786 -6.255 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.129 -6.945 -5.298 1.00 0.00 H new ATOM 206 N PHE A 18 1.533 -3.416 -5.422 1.00 0.00 N ATOM 207 CA PHE A 18 2.326 -2.267 -4.999 1.00 0.00 C ATOM 208 C PHE A 18 1.778 -0.977 -5.601 1.00 0.00 C ATOM 209 O PHE A 18 1.476 -0.915 -6.793 1.00 0.00 O ATOM 210 CB PHE A 18 3.789 -2.453 -5.407 1.00 0.00 C ATOM 211 CG PHE A 18 4.427 -3.676 -4.812 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.325 -4.904 -5.445 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.128 -3.596 -3.620 1.00 0.00 C ATOM 214 CE1 PHE A 18 4.910 -6.031 -4.899 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.716 -4.720 -3.069 1.00 0.00 C ATOM 216 CZ PHE A 18 5.608 -5.938 -3.710 1.00 0.00 C ATOM 0 H PHE A 18 1.527 -3.577 -6.429 1.00 0.00 H new ATOM 0 HA PHE A 18 2.265 -2.194 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.850 -2.514 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.357 -1.573 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.782 -4.982 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.216 -2.645 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.822 -6.983 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.259 -4.645 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.068 -6.817 -3.283 1.00 0.00 H new ATOM 226 N ALA A 19 1.652 0.051 -4.768 1.00 0.00 N ATOM 227 CA ALA A 19 1.142 1.340 -5.218 1.00 0.00 C ATOM 228 C ALA A 19 2.054 2.478 -4.770 1.00 0.00 C ATOM 229 O ALA A 19 2.335 2.630 -3.581 1.00 0.00 O ATOM 230 CB ALA A 19 -0.272 1.559 -4.699 1.00 0.00 C ATOM 0 H ALA A 19 1.896 0.016 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 19 1.120 1.334 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.640 2.526 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.923 0.769 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.267 1.540 -3.609 1.00 0.00 H new ATOM 236 N LYS A 20 2.513 3.275 -5.728 1.00 0.00 N ATOM 237 CA LYS A 20 3.393 4.399 -5.433 1.00 0.00 C ATOM 238 C LYS A 20 2.588 5.620 -4.997 1.00 0.00 C ATOM 239 O LYS A 20 1.526 5.904 -5.549 1.00 0.00 O ATOM 240 CB LYS A 20 4.241 4.746 -6.659 1.00 0.00 C ATOM 241 CG LYS A 20 5.023 6.039 -6.512 1.00 0.00 C ATOM 242 CD LYS A 20 6.252 6.052 -7.405 1.00 0.00 C ATOM 243 CE LYS A 20 7.410 5.295 -6.771 1.00 0.00 C ATOM 244 NZ LYS A 20 8.484 4.996 -7.758 1.00 0.00 N ATOM 0 H LYS A 20 2.290 3.163 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 20 4.051 4.107 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.938 3.930 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.591 4.822 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.381 6.884 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.326 6.166 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.008 5.605 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.552 7.082 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.823 5.883 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.043 4.363 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.254 4.480 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.096 4.413 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.853 5.886 -8.150 1.00 0.00 H new ATOM 258 N ALA A 21 3.103 6.338 -4.005 1.00 0.00 N ATOM 259 CA ALA A 21 2.434 7.530 -3.498 1.00 0.00 C ATOM 260 C ALA A 21 2.689 8.730 -4.403 1.00 0.00 C ATOM 261 O ALA A 21 3.785 9.292 -4.408 1.00 0.00 O ATOM 262 CB ALA A 21 2.893 7.829 -2.078 1.00 0.00 C ATOM 0 H ALA A 21 3.981 6.115 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 21 1.361 7.338 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.386 8.722 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.653 6.984 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.970 7.996 -2.071 1.00 0.00 H new ATOM 268 N ILE A 22 1.673 9.117 -5.166 1.00 0.00 N ATOM 269 CA ILE A 22 1.789 10.251 -6.074 1.00 0.00 C ATOM 270 C ILE A 22 1.681 11.572 -5.321 1.00 0.00 C ATOM 271 O ILE A 22 2.178 12.601 -5.779 1.00 0.00 O ATOM 272 CB ILE A 22 0.707 10.208 -7.169 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.675 10.002 -6.544 1.00 0.00 C ATOM 274 CG2 ILE A 22 1.011 9.104 -8.171 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.817 10.295 -7.492 1.00 0.00 C ATOM 0 H ILE A 22 0.760 8.662 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 22 2.771 10.181 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 22 0.708 11.162 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.758 8.972 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.768 10.643 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.237 9.086 -8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.979 9.291 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.035 8.143 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.766 10.128 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.760 11.333 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.750 9.636 -8.358 1.00 0.00 H new ATOM 287 N GLN A 23 1.031 11.535 -4.162 1.00 0.00 N ATOM 288 CA GLN A 23 0.859 12.730 -3.344 1.00 0.00 C ATOM 289 C GLN A 23 1.392 12.505 -1.933 1.00 0.00 C ATOM 290 O GLN A 23 1.297 11.404 -1.390 1.00 0.00 O ATOM 291 CB GLN A 23 -0.617 13.128 -3.288 1.00 0.00 C ATOM 292 CG GLN A 23 -1.126 13.760 -4.573 1.00 0.00 C ATOM 293 CD GLN A 23 -0.826 15.244 -4.652 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.306 15.647 -4.923 1.00 0.00 O ATOM 295 NE2 GLN A 23 -1.840 16.067 -4.414 1.00 0.00 N ATOM 0 H GLN A 23 0.615 10.691 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 23 1.428 13.539 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.215 12.244 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.765 13.828 -2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.672 13.256 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.203 13.606 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.762 15.690 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.697 17.076 -4.452 1.00 0.00 H new ATOM 304 N LYS A 24 1.953 13.555 -1.344 1.00 0.00 N ATOM 305 CA LYS A 24 2.501 13.473 0.005 1.00 0.00 C ATOM 306 C LYS A 24 1.394 13.241 1.029 1.00 0.00 C ATOM 307 O LYS A 24 0.464 14.039 1.142 1.00 0.00 O ATOM 308 CB LYS A 24 3.265 14.755 0.346 1.00 0.00 C ATOM 309 CG LYS A 24 3.802 14.783 1.767 1.00 0.00 C ATOM 310 CD LYS A 24 4.929 15.791 1.917 1.00 0.00 C ATOM 311 CE LYS A 24 4.397 17.177 2.249 1.00 0.00 C ATOM 312 NZ LYS A 24 4.046 17.945 1.022 1.00 0.00 N ATOM 0 H LYS A 24 2.040 14.473 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 24 3.188 12.627 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.096 14.869 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.606 15.611 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.996 15.032 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.161 13.791 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.609 15.463 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.506 15.833 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.516 17.085 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.146 17.726 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.603 18.823 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.257 17.371 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.033 18.179 1.037 1.00 0.00 H new ATOM 326 N ARG A 25 1.502 12.145 1.772 1.00 0.00 N ATOM 327 CA ARG A 25 0.510 11.809 2.787 1.00 0.00 C ATOM 328 C ARG A 25 1.117 11.879 4.185 1.00 0.00 C ATOM 329 O ARG A 25 2.101 11.202 4.481 1.00 0.00 O ATOM 330 CB ARG A 25 -0.054 10.410 2.534 1.00 0.00 C ATOM 331 CG ARG A 25 -1.481 10.231 3.027 1.00 0.00 C ATOM 332 CD ARG A 25 -1.587 10.470 4.525 1.00 0.00 C ATOM 333 NE ARG A 25 -2.886 10.062 5.054 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.287 8.798 5.125 1.00 0.00 C ATOM 335 NH1 ARG A 25 -2.493 7.823 4.704 1.00 0.00 N ATOM 336 NH2 ARG A 25 -4.483 8.506 5.619 1.00 0.00 N ATOM 0 H ARG A 25 2.266 11.474 1.691 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.299 12.537 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.019 10.201 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.586 9.675 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.139 10.922 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.824 9.223 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.798 9.919 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.426 11.527 4.736 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.520 10.788 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.572 8.043 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.803 6.853 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.096 9.253 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.789 7.535 5.673 1.00 0.00 H new ATOM 350 N VAL A 26 0.523 12.705 5.041 1.00 0.00 N ATOM 351 CA VAL A 26 1.004 12.864 6.408 1.00 0.00 C ATOM 352 C VAL A 26 -0.128 12.682 7.414 1.00 0.00 C ATOM 353 O VAL A 26 -1.135 13.389 7.386 1.00 0.00 O ATOM 354 CB VAL A 26 1.647 14.247 6.620 1.00 0.00 C ATOM 355 CG1 VAL A 26 3.049 14.280 6.031 1.00 0.00 C ATOM 356 CG2 VAL A 26 0.778 15.337 6.009 1.00 0.00 C ATOM 0 H VAL A 26 -0.292 13.274 4.812 1.00 0.00 H new ATOM 0 HA VAL A 26 1.757 12.093 6.570 1.00 0.00 H new ATOM 0 HB VAL A 26 1.724 14.432 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.487 15.265 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.666 13.525 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.999 14.074 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.247 16.308 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.668 15.158 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.204 15.327 6.482 1.00 0.00 H new ATOM 366 N PRO A 27 0.040 11.712 8.325 1.00 0.00 N ATOM 367 CA PRO A 27 -0.956 11.416 9.358 1.00 0.00 C ATOM 368 C PRO A 27 -1.051 12.519 10.406 1.00 0.00 C ATOM 369 O PRO A 27 -0.053 12.886 11.027 1.00 0.00 O ATOM 370 CB PRO A 27 -0.438 10.121 9.989 1.00 0.00 C ATOM 371 CG PRO A 27 1.030 10.139 9.739 1.00 0.00 C ATOM 372 CD PRO A 27 1.217 10.831 8.417 1.00 0.00 C ATOM 0 HA PRO A 27 -1.961 11.332 8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.657 10.085 11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.906 9.246 9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.555 10.669 10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.433 9.127 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.147 11.398 8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.252 10.119 7.592 1.00 0.00 H new ATOM 380 N CYS A 28 -2.256 13.044 10.599 1.00 0.00 N ATOM 381 CA CYS A 28 -2.481 14.106 11.572 1.00 0.00 C ATOM 382 C CYS A 28 -1.928 13.717 12.939 1.00 0.00 C ATOM 383 O CYS A 28 -1.905 12.540 13.298 1.00 0.00 O ATOM 384 CB CYS A 28 -3.974 14.418 11.682 1.00 0.00 C ATOM 385 SG CYS A 28 -4.552 15.679 10.523 1.00 0.00 S ATOM 0 H CYS A 28 -3.092 12.751 10.094 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.956 14.997 11.228 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.539 13.501 11.516 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.192 14.747 12.698 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.827 15.872 10.691 1.00 0.00 H new ATOM 391 N ALA A 29 -1.482 14.713 13.697 1.00 0.00 N ATOM 392 CA ALA A 29 -0.929 14.475 15.025 1.00 0.00 C ATOM 393 C ALA A 29 -1.804 13.511 15.819 1.00 0.00 C ATOM 394 O ALA A 29 -1.325 12.495 16.324 1.00 0.00 O ATOM 395 CB ALA A 29 -0.773 15.789 15.775 1.00 0.00 C ATOM 0 H ALA A 29 -1.493 15.693 13.414 1.00 0.00 H new ATOM 0 HA ALA A 29 0.054 14.019 14.906 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.359 15.596 16.765 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.101 16.446 15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.747 16.268 15.876 1.00 0.00 H new ATOM 401 N TYR A 30 -3.088 13.835 15.925 1.00 0.00 N ATOM 402 CA TYR A 30 -4.029 12.999 16.660 1.00 0.00 C ATOM 403 C TYR A 30 -4.209 11.648 15.974 1.00 0.00 C ATOM 404 O TYR A 30 -4.446 10.633 16.630 1.00 0.00 O ATOM 405 CB TYR A 30 -5.381 13.704 16.784 1.00 0.00 C ATOM 406 CG TYR A 30 -5.274 15.141 17.243 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.021 16.163 16.336 1.00 0.00 C ATOM 408 CD2 TYR A 30 -5.426 15.477 18.582 1.00 0.00 C ATOM 409 CE1 TYR A 30 -4.922 17.477 16.749 1.00 0.00 C ATOM 410 CE2 TYR A 30 -5.330 16.789 19.005 1.00 0.00 C ATOM 411 CZ TYR A 30 -5.078 17.785 18.085 1.00 0.00 C ATOM 412 OH TYR A 30 -4.980 19.092 18.502 1.00 0.00 O ATOM 0 H TYR A 30 -3.501 14.671 15.511 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.622 12.829 17.657 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.886 13.676 15.818 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.006 13.152 17.486 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.900 15.925 15.289 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.623 14.699 19.305 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.724 18.259 16.031 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.452 17.033 20.050 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.116 19.137 19.471 1.00 0.00 H new ATOM 422 N ASP A 31 -4.093 11.644 14.651 1.00 0.00 N ATOM 423 CA ASP A 31 -4.241 10.418 13.874 1.00 0.00 C ATOM 424 C ASP A 31 -2.957 9.595 13.909 1.00 0.00 C ATOM 425 O ASP A 31 -1.861 10.125 13.725 1.00 0.00 O ATOM 426 CB ASP A 31 -4.611 10.748 12.427 1.00 0.00 C ATOM 427 CG ASP A 31 -5.338 9.607 11.742 1.00 0.00 C ATOM 428 OD1 ASP A 31 -4.923 8.444 11.926 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.321 9.878 11.021 1.00 0.00 O ATOM 0 H ASP A 31 -3.897 12.475 14.094 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.042 9.828 14.320 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.240 11.638 12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.706 10.986 11.868 1.00 0.00 H new ATOM 434 N LYS A 32 -3.100 8.296 14.147 1.00 0.00 N ATOM 435 CA LYS A 32 -1.953 7.398 14.206 1.00 0.00 C ATOM 436 C LYS A 32 -2.146 6.206 13.274 1.00 0.00 C ATOM 437 O LYS A 32 -1.179 5.634 12.770 1.00 0.00 O ATOM 438 CB LYS A 32 -1.735 6.908 15.640 1.00 0.00 C ATOM 439 CG LYS A 32 -1.193 7.977 16.572 1.00 0.00 C ATOM 440 CD LYS A 32 0.325 7.952 16.627 1.00 0.00 C ATOM 441 CE LYS A 32 0.934 8.942 15.645 1.00 0.00 C ATOM 442 NZ LYS A 32 2.251 8.474 15.131 1.00 0.00 N ATOM 0 H LYS A 32 -4.000 7.841 14.302 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.073 7.952 13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.681 6.538 16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.044 6.065 15.626 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.530 8.958 16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.597 7.827 17.573 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.658 8.189 17.638 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.682 6.947 16.401 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.250 9.092 14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.057 9.909 16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.633 9.176 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.911 8.355 15.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.130 7.564 14.643 1.00 0.00 H new ATOM 456 N THR A 33 -3.403 5.835 13.048 1.00 0.00 N ATOM 457 CA THR A 33 -3.723 4.711 12.177 1.00 0.00 C ATOM 458 C THR A 33 -3.345 5.012 10.731 1.00 0.00 C ATOM 459 O THR A 33 -3.008 4.107 9.967 1.00 0.00 O ATOM 460 CB THR A 33 -5.221 4.360 12.241 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.009 5.522 11.959 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.590 3.811 13.611 1.00 0.00 C ATOM 0 H THR A 33 -4.216 6.297 13.456 1.00 0.00 H new ATOM 0 HA THR A 33 -3.142 3.860 12.532 1.00 0.00 H new ATOM 0 HB THR A 33 -5.424 3.594 11.493 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.960 5.290 12.000 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.653 3.570 13.632 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.010 2.910 13.810 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.372 4.559 14.373 1.00 0.00 H new ATOM 470 N ALA A 34 -3.401 6.287 10.362 1.00 0.00 N ATOM 471 CA ALA A 34 -3.062 6.706 9.008 1.00 0.00 C ATOM 472 C ALA A 34 -1.590 6.447 8.706 1.00 0.00 C ATOM 473 O ALA A 34 -0.712 6.798 9.495 1.00 0.00 O ATOM 474 CB ALA A 34 -3.391 8.179 8.813 1.00 0.00 C ATOM 0 H ALA A 34 -3.678 7.048 10.982 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.659 6.116 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.133 8.478 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.456 8.339 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.820 8.777 9.524 1.00 0.00 H new ATOM 480 N LEU A 35 -1.326 5.829 7.560 1.00 0.00 N ATOM 481 CA LEU A 35 0.041 5.521 7.153 1.00 0.00 C ATOM 482 C LEU A 35 0.744 6.766 6.622 1.00 0.00 C ATOM 483 O LEU A 35 0.166 7.541 5.861 1.00 0.00 O ATOM 484 CB LEU A 35 0.042 4.426 6.085 1.00 0.00 C ATOM 485 CG LEU A 35 1.256 3.496 6.079 1.00 0.00 C ATOM 486 CD1 LEU A 35 0.975 2.258 5.242 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.485 4.227 5.559 1.00 0.00 C ATOM 0 H LEU A 35 -2.041 5.531 6.896 1.00 0.00 H new ATOM 0 HA LEU A 35 0.583 5.165 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.855 3.820 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.032 4.900 5.106 1.00 0.00 H new ATOM 0 HG LEU A 35 1.453 3.180 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.850 1.608 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.122 1.723 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.752 2.555 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.339 3.550 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.299 4.573 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.698 5.082 6.200 1.00 0.00 H new ATOM 499 N ALA A 36 1.997 6.950 7.028 1.00 0.00 N ATOM 500 CA ALA A 36 2.781 8.098 6.589 1.00 0.00 C ATOM 501 C ALA A 36 3.656 7.741 5.393 1.00 0.00 C ATOM 502 O ALA A 36 4.375 6.741 5.413 1.00 0.00 O ATOM 503 CB ALA A 36 3.636 8.621 7.734 1.00 0.00 C ATOM 0 H ALA A 36 2.490 6.319 7.660 1.00 0.00 H new ATOM 0 HA ALA A 36 2.090 8.881 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.216 9.478 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.992 8.924 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.313 7.836 8.071 1.00 0.00 H new ATOM 509 N LEU A 37 3.590 8.563 4.351 1.00 0.00 N ATOM 510 CA LEU A 37 4.376 8.333 3.144 1.00 0.00 C ATOM 511 C LEU A 37 4.843 9.653 2.539 1.00 0.00 C ATOM 512 O LEU A 37 4.350 10.721 2.900 1.00 0.00 O ATOM 513 CB LEU A 37 3.555 7.551 2.118 1.00 0.00 C ATOM 514 CG LEU A 37 2.835 6.307 2.641 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.659 5.954 1.745 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.801 5.135 2.743 1.00 0.00 C ATOM 0 H LEU A 37 3.000 9.395 4.318 1.00 0.00 H new ATOM 0 HA LEU A 37 5.255 7.749 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.812 8.223 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.217 7.249 1.307 1.00 0.00 H new ATOM 0 HG LEU A 37 2.452 6.525 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.159 5.066 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.955 6.786 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.018 5.756 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.272 4.259 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.214 4.917 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.610 5.389 3.427 1.00 0.00 H new ATOM 528 N GLU A 38 5.796 9.570 1.616 1.00 0.00 N ATOM 529 CA GLU A 38 6.328 10.759 0.960 1.00 0.00 C ATOM 530 C GLU A 38 6.436 10.546 -0.548 1.00 0.00 C ATOM 531 O GLU A 38 6.732 9.445 -1.011 1.00 0.00 O ATOM 532 CB GLU A 38 7.701 11.114 1.535 1.00 0.00 C ATOM 533 CG GLU A 38 8.779 10.094 1.213 1.00 0.00 C ATOM 534 CD GLU A 38 9.903 10.092 2.231 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.640 10.425 3.405 1.00 0.00 O ATOM 536 OE2 GLU A 38 11.046 9.758 1.853 1.00 0.00 O ATOM 0 H GLU A 38 6.215 8.693 1.306 1.00 0.00 H new ATOM 0 HA GLU A 38 5.640 11.584 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.006 12.087 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.618 11.212 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.332 9.101 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.189 10.304 0.225 1.00 0.00 H new ATOM 543 N VAL A 39 6.193 11.609 -1.308 1.00 0.00 N ATOM 544 CA VAL A 39 6.263 11.540 -2.763 1.00 0.00 C ATOM 545 C VAL A 39 7.410 10.644 -3.216 1.00 0.00 C ATOM 546 O VAL A 39 8.580 10.989 -3.060 1.00 0.00 O ATOM 547 CB VAL A 39 6.443 12.938 -3.383 1.00 0.00 C ATOM 548 CG1 VAL A 39 6.650 12.834 -4.886 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.246 13.821 -3.062 1.00 0.00 C ATOM 0 H VAL A 39 5.946 12.528 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 39 5.318 11.117 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 39 7.332 13.397 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.775 13.832 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.541 12.240 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.783 12.355 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.390 14.805 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.341 13.368 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.149 13.923 -1.981 1.00 0.00 H new ATOM 559 N GLY A 40 7.065 9.490 -3.779 1.00 0.00 N ATOM 560 CA GLY A 40 8.077 8.561 -4.247 1.00 0.00 C ATOM 561 C GLY A 40 8.342 7.444 -3.257 1.00 0.00 C ATOM 562 O GLY A 40 9.492 7.071 -3.026 1.00 0.00 O ATOM 0 H GLY A 40 6.103 9.182 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.760 8.132 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.004 9.103 -4.435 1.00 0.00 H new ATOM 566 N ASP A 41 7.276 6.912 -2.670 1.00 0.00 N ATOM 567 CA ASP A 41 7.399 5.831 -1.698 1.00 0.00 C ATOM 568 C ASP A 41 6.525 4.644 -2.092 1.00 0.00 C ATOM 569 O ASP A 41 5.322 4.792 -2.310 1.00 0.00 O ATOM 570 CB ASP A 41 7.011 6.325 -0.303 1.00 0.00 C ATOM 571 CG ASP A 41 8.196 6.876 0.466 1.00 0.00 C ATOM 572 OD1 ASP A 41 9.134 7.390 -0.178 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.185 6.792 1.712 1.00 0.00 O ATOM 0 H ASP A 41 6.318 7.211 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 41 8.439 5.505 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.249 7.099 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.566 5.504 0.259 1.00 0.00 H new ATOM 578 N ILE A 42 7.139 3.469 -2.182 1.00 0.00 N ATOM 579 CA ILE A 42 6.417 2.257 -2.549 1.00 0.00 C ATOM 580 C ILE A 42 5.643 1.697 -1.361 1.00 0.00 C ATOM 581 O ILE A 42 6.228 1.334 -0.340 1.00 0.00 O ATOM 582 CB ILE A 42 7.372 1.173 -3.083 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.193 1.718 -4.254 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.589 -0.060 -3.507 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.358 2.075 -5.464 1.00 0.00 C ATOM 0 H ILE A 42 8.134 3.331 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 42 5.717 2.533 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 42 8.057 0.888 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.737 2.603 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.937 0.975 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.278 -0.817 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.044 -0.457 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.883 0.210 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.006 2.454 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.834 1.188 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.632 2.841 -5.192 1.00 0.00 H new ATOM 597 N VAL A 43 4.323 1.626 -1.502 1.00 0.00 N ATOM 598 CA VAL A 43 3.468 1.107 -0.441 1.00 0.00 C ATOM 599 C VAL A 43 3.096 -0.349 -0.699 1.00 0.00 C ATOM 600 O VAL A 43 2.209 -0.642 -1.501 1.00 0.00 O ATOM 601 CB VAL A 43 2.179 1.938 -0.302 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.349 1.443 0.872 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.511 3.414 -0.146 1.00 0.00 C ATOM 0 H VAL A 43 3.823 1.921 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 43 4.037 1.175 0.486 1.00 0.00 H new ATOM 0 HB VAL A 43 1.589 1.816 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.442 2.042 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.081 0.399 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.928 1.533 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.588 3.986 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.122 3.557 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.061 3.758 -1.022 1.00 0.00 H new ATOM 613 N LYS A 44 3.780 -1.259 -0.014 1.00 0.00 N ATOM 614 CA LYS A 44 3.521 -2.686 -0.166 1.00 0.00 C ATOM 615 C LYS A 44 2.315 -3.112 0.665 1.00 0.00 C ATOM 616 O LYS A 44 2.384 -3.174 1.892 1.00 0.00 O ATOM 617 CB LYS A 44 4.751 -3.495 0.250 1.00 0.00 C ATOM 618 CG LYS A 44 4.564 -4.997 0.121 1.00 0.00 C ATOM 619 CD LYS A 44 5.400 -5.753 1.139 1.00 0.00 C ATOM 620 CE LYS A 44 5.035 -7.229 1.175 1.00 0.00 C ATOM 621 NZ LYS A 44 5.435 -7.869 2.459 1.00 0.00 N ATOM 0 H LYS A 44 4.519 -1.034 0.652 1.00 0.00 H new ATOM 0 HA LYS A 44 3.303 -2.880 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.600 -3.189 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.000 -3.256 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.512 -5.246 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.840 -5.314 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.457 -5.644 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.254 -5.317 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.960 -7.341 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.521 -7.743 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.169 -8.874 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.464 -7.785 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.952 -7.395 3.249 1.00 0.00 H new ATOM 635 N VAL A 45 1.209 -3.406 -0.013 1.00 0.00 N ATOM 636 CA VAL A 45 -0.012 -3.829 0.663 1.00 0.00 C ATOM 637 C VAL A 45 -0.282 -5.311 0.433 1.00 0.00 C ATOM 638 O VAL A 45 -0.193 -5.803 -0.693 1.00 0.00 O ATOM 639 CB VAL A 45 -1.229 -3.015 0.183 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.151 -2.772 -1.316 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.522 -3.727 0.551 1.00 0.00 C ATOM 0 H VAL A 45 1.134 -3.359 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 45 0.137 -3.652 1.728 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.219 -2.047 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.019 -2.196 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.241 -2.218 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.137 -3.728 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.372 -3.139 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.544 -4.709 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.578 -3.844 1.633 1.00 0.00 H new ATOM 651 N THR A 46 -0.613 -6.021 1.507 1.00 0.00 N ATOM 652 CA THR A 46 -0.896 -7.448 1.423 1.00 0.00 C ATOM 653 C THR A 46 -2.372 -7.732 1.679 1.00 0.00 C ATOM 654 O THR A 46 -2.932 -8.687 1.142 1.00 0.00 O ATOM 655 CB THR A 46 -0.049 -8.249 2.430 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.396 -7.876 3.768 1.00 0.00 O ATOM 657 CG2 THR A 46 1.436 -8.008 2.200 1.00 0.00 C ATOM 0 H THR A 46 -0.692 -5.630 2.446 1.00 0.00 H new ATOM 0 HA THR A 46 -0.638 -7.762 0.412 1.00 0.00 H new ATOM 0 HB THR A 46 -0.256 -9.309 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.146 -8.391 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.014 -8.584 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.703 -8.320 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.656 -6.947 2.322 1.00 0.00 H new ATOM 665 N ARG A 47 -2.996 -6.896 2.502 1.00 0.00 N ATOM 666 CA ARG A 47 -4.408 -7.058 2.829 1.00 0.00 C ATOM 667 C ARG A 47 -5.191 -5.790 2.502 1.00 0.00 C ATOM 668 O ARG A 47 -4.858 -4.704 2.974 1.00 0.00 O ATOM 669 CB ARG A 47 -4.573 -7.404 4.310 1.00 0.00 C ATOM 670 CG ARG A 47 -5.907 -8.055 4.638 1.00 0.00 C ATOM 671 CD ARG A 47 -5.899 -9.539 4.308 1.00 0.00 C ATOM 672 NE ARG A 47 -5.360 -10.341 5.404 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.037 -10.619 6.512 1.00 0.00 C ATOM 674 NH1 ARG A 47 -7.272 -10.162 6.671 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.479 -11.355 7.465 1.00 0.00 N ATOM 0 H ARG A 47 -2.547 -6.100 2.955 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.804 -7.875 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.768 -8.074 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.467 -6.494 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.130 -7.918 5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.701 -7.561 4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.915 -9.866 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.305 -9.707 3.410 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.412 -10.707 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.704 -9.595 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.790 -10.377 7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.529 -11.708 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.000 -11.568 8.316 1.00 0.00 H new ATOM 689 N MET A 48 -6.232 -5.938 1.689 1.00 0.00 N ATOM 690 CA MET A 48 -7.063 -4.804 1.299 1.00 0.00 C ATOM 691 C MET A 48 -8.489 -4.973 1.813 1.00 0.00 C ATOM 692 O MET A 48 -9.178 -5.928 1.456 1.00 0.00 O ATOM 693 CB MET A 48 -7.072 -4.651 -0.223 1.00 0.00 C ATOM 694 CG MET A 48 -5.709 -4.316 -0.808 1.00 0.00 C ATOM 695 SD MET A 48 -5.700 -4.348 -2.611 1.00 0.00 S ATOM 696 CE MET A 48 -4.852 -2.813 -2.973 1.00 0.00 C ATOM 0 H MET A 48 -6.520 -6.830 1.288 1.00 0.00 H new ATOM 0 HA MET A 48 -6.639 -3.904 1.745 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.433 -5.577 -0.671 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.779 -3.868 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.403 -3.328 -0.465 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.972 -5.026 -0.432 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.560 -2.095 -3.387 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.421 -2.411 -2.056 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.058 -2.998 -3.697 1.00 0.00 H new ATOM 706 N ASN A 49 -8.925 -4.040 2.652 1.00 0.00 N ATOM 707 CA ASN A 49 -10.269 -4.087 3.216 1.00 0.00 C ATOM 708 C ASN A 49 -11.307 -3.659 2.183 1.00 0.00 C ATOM 709 O ASN A 49 -11.040 -2.806 1.336 1.00 0.00 O ATOM 710 CB ASN A 49 -10.360 -3.186 4.449 1.00 0.00 C ATOM 711 CG ASN A 49 -9.230 -3.434 5.430 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.857 -4.578 5.688 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.680 -2.359 5.983 1.00 0.00 N ATOM 0 H ASN A 49 -8.367 -3.242 2.957 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.476 -5.116 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.343 -2.142 4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.314 -3.353 4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.916 -2.463 6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.021 -1.429 5.740 1.00 0.00 H new ATOM 720 N ILE A 50 -12.492 -4.256 2.260 1.00 0.00 N ATOM 721 CA ILE A 50 -13.571 -3.935 1.334 1.00 0.00 C ATOM 722 C ILE A 50 -13.956 -2.462 1.427 1.00 0.00 C ATOM 723 O ILE A 50 -14.103 -1.784 0.411 1.00 0.00 O ATOM 724 CB ILE A 50 -14.818 -4.798 1.601 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.484 -6.282 1.430 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.951 -4.394 0.670 1.00 0.00 C ATOM 727 CD1 ILE A 50 -15.406 -7.201 2.201 1.00 0.00 C ATOM 0 H ILE A 50 -12.729 -4.965 2.954 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.200 -4.148 0.332 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.142 -4.634 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.532 -6.537 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.458 -6.455 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.825 -5.013 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.202 -3.346 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.638 -4.533 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.111 -8.237 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.341 -6.973 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.431 -7.056 1.861 1.00 0.00 H new ATOM 739 N ASN A 51 -14.116 -1.975 2.653 1.00 0.00 N ATOM 740 CA ASN A 51 -14.482 -0.581 2.879 1.00 0.00 C ATOM 741 C ASN A 51 -13.706 0.344 1.946 1.00 0.00 C ATOM 742 O ASN A 51 -14.265 1.281 1.379 1.00 0.00 O ATOM 743 CB ASN A 51 -14.220 -0.193 4.335 1.00 0.00 C ATOM 744 CG ASN A 51 -12.806 0.312 4.553 1.00 0.00 C ATOM 745 OD1 ASN A 51 -11.834 -0.365 4.218 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.686 1.508 5.118 1.00 0.00 N ATOM 0 H ASN A 51 -13.998 -2.524 3.505 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.546 -0.472 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.929 0.578 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.397 -1.057 4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.760 1.900 5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.520 2.034 5.380 1.00 0.00 H new ATOM 753 N GLY A 52 -12.414 0.072 1.793 1.00 0.00 N ATOM 754 CA GLY A 52 -11.582 0.889 0.928 1.00 0.00 C ATOM 755 C GLY A 52 -10.165 1.026 1.448 1.00 0.00 C ATOM 756 O GLY A 52 -9.204 0.915 0.686 1.00 0.00 O ATOM 0 H GLY A 52 -11.928 -0.699 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.559 0.450 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.027 1.879 0.830 1.00 0.00 H new ATOM 760 N GLN A 53 -10.034 1.269 2.748 1.00 0.00 N ATOM 761 CA GLN A 53 -8.723 1.424 3.368 1.00 0.00 C ATOM 762 C GLN A 53 -7.992 0.087 3.437 1.00 0.00 C ATOM 763 O GLN A 53 -8.515 -0.890 3.974 1.00 0.00 O ATOM 764 CB GLN A 53 -8.866 2.014 4.772 1.00 0.00 C ATOM 765 CG GLN A 53 -8.970 3.531 4.786 1.00 0.00 C ATOM 766 CD GLN A 53 -10.402 4.018 4.690 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.203 3.481 3.925 1.00 0.00 O ATOM 768 NE2 GLN A 53 -10.732 5.042 5.468 1.00 0.00 N ATOM 0 H GLN A 53 -10.819 1.363 3.392 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.136 2.107 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.753 1.593 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.009 1.711 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.521 3.914 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.395 3.939 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.036 5.457 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.682 5.414 5.446 1.00 0.00 H new ATOM 777 N TRP A 54 -6.783 0.051 2.891 1.00 0.00 N ATOM 778 CA TRP A 54 -5.980 -1.167 2.890 1.00 0.00 C ATOM 779 C TRP A 54 -4.895 -1.104 3.960 1.00 0.00 C ATOM 780 O TRP A 54 -4.665 -0.056 4.561 1.00 0.00 O ATOM 781 CB TRP A 54 -5.347 -1.385 1.515 1.00 0.00 C ATOM 782 CG TRP A 54 -6.312 -1.207 0.382 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.643 -1.512 0.384 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.019 -0.686 -0.919 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.195 -1.211 -0.838 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.220 -0.702 -1.654 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.860 -0.205 -1.533 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.292 -0.257 -2.971 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.933 0.236 -2.841 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.142 0.208 -3.548 1.00 0.00 C ATOM 0 H TRP A 54 -6.336 0.851 2.443 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.638 -2.006 3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.518 -0.688 1.390 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.928 -2.390 1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.182 -1.928 1.222 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.173 -1.345 -1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.924 -0.178 -0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.223 -0.278 -3.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.043 0.608 -3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.167 0.560 -4.569 1.00 0.00 H new ATOM 801 N GLU A 55 -4.231 -2.233 4.190 1.00 0.00 N ATOM 802 CA GLU A 55 -3.170 -2.304 5.188 1.00 0.00 C ATOM 803 C GLU A 55 -1.817 -2.550 4.527 1.00 0.00 C ATOM 804 O GLU A 55 -1.586 -3.604 3.935 1.00 0.00 O ATOM 805 CB GLU A 55 -3.465 -3.413 6.200 1.00 0.00 C ATOM 806 CG GLU A 55 -2.818 -3.187 7.556 1.00 0.00 C ATOM 807 CD GLU A 55 -3.224 -4.232 8.578 1.00 0.00 C ATOM 808 OE1 GLU A 55 -4.403 -4.234 8.988 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.362 -5.047 8.966 1.00 0.00 O ATOM 0 H GLU A 55 -4.409 -3.109 3.700 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.132 -1.347 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.544 -3.496 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.119 -4.364 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.734 -3.197 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.091 -2.198 7.925 1.00 0.00 H new ATOM 816 N GLY A 56 -0.926 -1.569 4.632 1.00 0.00 N ATOM 817 CA GLY A 56 0.393 -1.698 4.040 1.00 0.00 C ATOM 818 C GLY A 56 1.501 -1.321 5.003 1.00 0.00 C ATOM 819 O GLY A 56 1.256 -0.662 6.013 1.00 0.00 O ATOM 0 H GLY A 56 -1.094 -0.687 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.539 -2.726 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.454 -1.065 3.155 1.00 0.00 H new ATOM 823 N GLU A 57 2.722 -1.743 4.692 1.00 0.00 N ATOM 824 CA GLU A 57 3.871 -1.448 5.541 1.00 0.00 C ATOM 825 C GLU A 57 4.921 -0.648 4.775 1.00 0.00 C ATOM 826 O GLU A 57 5.383 -1.065 3.713 1.00 0.00 O ATOM 827 CB GLU A 57 4.487 -2.743 6.072 1.00 0.00 C ATOM 828 CG GLU A 57 5.497 -2.525 7.186 1.00 0.00 C ATOM 829 CD GLU A 57 6.908 -2.329 6.665 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.206 -2.823 5.557 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.713 -1.681 7.365 1.00 0.00 O ATOM 0 H GLU A 57 2.942 -2.290 3.859 1.00 0.00 H new ATOM 0 HA GLU A 57 3.525 -0.848 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.690 -3.391 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.973 -3.268 5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.205 -1.652 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.479 -3.381 7.861 1.00 0.00 H new ATOM 838 N VAL A 58 5.295 0.504 5.324 1.00 0.00 N ATOM 839 CA VAL A 58 6.291 1.363 4.694 1.00 0.00 C ATOM 840 C VAL A 58 7.154 2.061 5.739 1.00 0.00 C ATOM 841 O VAL A 58 6.648 2.562 6.742 1.00 0.00 O ATOM 842 CB VAL A 58 5.629 2.426 3.798 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.669 3.402 3.269 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.876 1.765 2.653 1.00 0.00 C ATOM 0 H VAL A 58 4.923 0.864 6.203 1.00 0.00 H new ATOM 0 HA VAL A 58 6.920 0.720 4.078 1.00 0.00 H new ATOM 0 HB VAL A 58 4.912 2.986 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.182 4.146 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.159 3.900 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.412 2.860 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.415 2.532 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.570 1.178 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.103 1.111 3.056 1.00 0.00 H new ATOM 854 N ASN A 59 8.460 2.090 5.496 1.00 0.00 N ATOM 855 CA ASN A 59 9.395 2.727 6.416 1.00 0.00 C ATOM 856 C ASN A 59 9.122 2.296 7.854 1.00 0.00 C ATOM 857 O ASN A 59 9.027 3.128 8.755 1.00 0.00 O ATOM 858 CB ASN A 59 9.299 4.249 6.301 1.00 0.00 C ATOM 859 CG ASN A 59 9.371 4.726 4.863 1.00 0.00 C ATOM 860 OD1 ASN A 59 8.417 5.303 4.341 1.00 0.00 O ATOM 861 ND2 ASN A 59 10.505 4.486 4.216 1.00 0.00 N ATOM 0 H ASN A 59 8.895 1.680 4.670 1.00 0.00 H new ATOM 0 HA ASN A 59 10.403 2.412 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.363 4.586 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.107 4.706 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.612 4.783 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.270 4.004 4.689 1.00 0.00 H new ATOM 868 N GLY A 60 8.996 0.988 8.061 1.00 0.00 N ATOM 869 CA GLY A 60 8.735 0.469 9.391 1.00 0.00 C ATOM 870 C GLY A 60 7.514 1.100 10.030 1.00 0.00 C ATOM 871 O GLY A 60 7.538 1.462 11.206 1.00 0.00 O ATOM 0 H GLY A 60 9.070 0.279 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.595 -0.611 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.605 0.646 10.024 1.00 0.00 H new ATOM 875 N ARG A 61 6.443 1.233 9.253 1.00 0.00 N ATOM 876 CA ARG A 61 5.208 1.827 9.750 1.00 0.00 C ATOM 877 C ARG A 61 3.990 1.139 9.139 1.00 0.00 C ATOM 878 O ARG A 61 3.991 0.782 7.961 1.00 0.00 O ATOM 879 CB ARG A 61 5.174 3.323 9.434 1.00 0.00 C ATOM 880 CG ARG A 61 3.834 3.978 9.729 1.00 0.00 C ATOM 881 CD ARG A 61 3.696 4.323 11.204 1.00 0.00 C ATOM 882 NE ARG A 61 4.252 5.638 11.512 1.00 0.00 N ATOM 883 CZ ARG A 61 4.681 5.989 12.719 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.619 5.128 13.725 1.00 0.00 N ATOM 885 NH2 ARG A 61 5.175 7.204 12.921 1.00 0.00 N ATOM 0 H ARG A 61 6.406 0.937 8.277 1.00 0.00 H new ATOM 0 HA ARG A 61 5.177 1.690 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.949 3.825 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.416 3.469 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.731 4.884 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.027 3.307 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.643 4.300 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.203 3.566 11.803 1.00 0.00 H new ATOM 0 HE ARG A 61 4.314 6.324 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.241 4.193 13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.949 5.401 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.225 7.869 12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.504 7.473 13.848 1.00 0.00 H new ATOM 899 N LYS A 62 2.953 0.957 9.949 1.00 0.00 N ATOM 900 CA LYS A 62 1.728 0.313 9.490 1.00 0.00 C ATOM 901 C LYS A 62 0.522 1.222 9.705 1.00 0.00 C ATOM 902 O LYS A 62 0.165 1.539 10.839 1.00 0.00 O ATOM 903 CB LYS A 62 1.518 -1.013 10.225 1.00 0.00 C ATOM 904 CG LYS A 62 2.330 -2.161 9.652 1.00 0.00 C ATOM 905 CD LYS A 62 1.563 -2.902 8.569 1.00 0.00 C ATOM 906 CE LYS A 62 0.707 -4.014 9.155 1.00 0.00 C ATOM 907 NZ LYS A 62 -0.377 -3.481 10.025 1.00 0.00 N ATOM 0 H LYS A 62 2.936 1.246 10.927 1.00 0.00 H new ATOM 0 HA LYS A 62 1.828 0.118 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.780 -0.882 11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.460 -1.274 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.263 -1.777 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.595 -2.854 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.929 -2.201 8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.264 -3.322 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.269 -4.599 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.337 -4.690 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.154 -4.171 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.004 -3.312 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.732 -2.587 9.629 1.00 0.00 H new ATOM 921 N GLY A 63 -0.104 1.638 8.607 1.00 0.00 N ATOM 922 CA GLY A 63 -1.263 2.505 8.698 1.00 0.00 C ATOM 923 C GLY A 63 -2.182 2.371 7.500 1.00 0.00 C ATOM 924 O GLY A 63 -1.806 1.791 6.481 1.00 0.00 O ATOM 0 H GLY A 63 0.172 1.389 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.818 2.270 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.933 3.540 8.785 1.00 0.00 H new ATOM 928 N LEU A 64 -3.392 2.908 7.622 1.00 0.00 N ATOM 929 CA LEU A 64 -4.369 2.845 6.540 1.00 0.00 C ATOM 930 C LEU A 64 -4.246 4.058 5.624 1.00 0.00 C ATOM 931 O LEU A 64 -4.316 5.201 6.077 1.00 0.00 O ATOM 932 CB LEU A 64 -5.786 2.763 7.111 1.00 0.00 C ATOM 933 CG LEU A 64 -6.038 1.647 8.125 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.380 1.843 8.812 1.00 0.00 C ATOM 935 CD2 LEU A 64 -5.979 0.286 7.445 1.00 0.00 C ATOM 0 H LEU A 64 -3.719 3.391 8.458 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.168 1.949 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.021 3.716 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.483 2.638 6.283 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.256 1.687 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.542 1.039 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.386 2.801 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.176 1.830 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.161 -0.497 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.740 0.235 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.994 0.144 7.000 1.00 0.00 H new ATOM 947 N PHE A 65 -4.065 3.802 4.333 1.00 0.00 N ATOM 948 CA PHE A 65 -3.934 4.873 3.352 1.00 0.00 C ATOM 949 C PHE A 65 -4.971 4.724 2.242 1.00 0.00 C ATOM 950 O PHE A 65 -5.298 3.619 1.807 1.00 0.00 O ATOM 951 CB PHE A 65 -2.526 4.876 2.753 1.00 0.00 C ATOM 952 CG PHE A 65 -2.188 3.614 2.011 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.771 2.483 2.695 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.286 3.559 0.630 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.460 1.321 2.016 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.976 2.399 -0.054 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.561 1.279 0.639 1.00 0.00 C ATOM 0 H PHE A 65 -4.006 2.862 3.941 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.106 5.821 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.430 5.724 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.800 5.024 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.688 2.511 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.608 4.432 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.138 0.446 2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.058 2.368 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.316 0.372 0.106 1.00 0.00 H new ATOM 967 N PRO A 66 -5.502 5.862 1.772 1.00 0.00 N ATOM 968 CA PRO A 66 -6.509 5.886 0.707 1.00 0.00 C ATOM 969 C PRO A 66 -5.933 5.482 -0.645 1.00 0.00 C ATOM 970 O PRO A 66 -4.929 6.036 -1.094 1.00 0.00 O ATOM 971 CB PRO A 66 -6.963 7.348 0.680 1.00 0.00 C ATOM 972 CG PRO A 66 -5.807 8.113 1.226 1.00 0.00 C ATOM 973 CD PRO A 66 -5.159 7.215 2.244 1.00 0.00 C ATOM 0 HA PRO A 66 -7.317 5.178 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.207 7.668 -0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.857 7.496 1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.105 8.376 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.137 9.046 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.080 7.365 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.544 7.401 3.247 1.00 0.00 H new ATOM 981 N PHE A 67 -6.574 4.513 -1.291 1.00 0.00 N ATOM 982 CA PHE A 67 -6.124 4.034 -2.592 1.00 0.00 C ATOM 983 C PHE A 67 -6.130 5.163 -3.619 1.00 0.00 C ATOM 984 O PHE A 67 -5.508 5.060 -4.677 1.00 0.00 O ATOM 985 CB PHE A 67 -7.015 2.887 -3.073 1.00 0.00 C ATOM 986 CG PHE A 67 -8.459 3.272 -3.223 1.00 0.00 C ATOM 987 CD1 PHE A 67 -8.903 3.916 -4.367 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.373 2.990 -2.221 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.231 4.273 -4.507 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.702 3.343 -2.355 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.132 3.985 -3.500 1.00 0.00 C ATOM 0 H PHE A 67 -7.407 4.044 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.102 3.670 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.642 2.525 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.939 2.059 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.203 4.142 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.043 2.488 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.564 4.777 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.404 3.117 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.170 4.261 -3.608 1.00 0.00 H new ATOM 1001 N THR A 68 -6.839 6.241 -3.300 1.00 0.00 N ATOM 1002 CA THR A 68 -6.929 7.389 -4.193 1.00 0.00 C ATOM 1003 C THR A 68 -5.634 8.194 -4.186 1.00 0.00 C ATOM 1004 O THR A 68 -5.225 8.740 -5.212 1.00 0.00 O ATOM 1005 CB THR A 68 -8.097 8.314 -3.804 1.00 0.00 C ATOM 1006 OG1 THR A 68 -7.980 8.700 -2.430 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.433 7.622 -4.029 1.00 0.00 C ATOM 0 H THR A 68 -7.360 6.343 -2.429 1.00 0.00 H new ATOM 0 HA THR A 68 -7.105 6.997 -5.195 1.00 0.00 H new ATOM 0 HB THR A 68 -8.054 9.202 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.726 9.289 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.243 8.295 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.532 7.355 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.482 6.719 -3.420 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.992 8.263 -3.024 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.742 9.001 -2.885 1.00 0.00 C ATOM 1017 C HIS A 69 -2.631 8.347 -3.700 1.00 0.00 C ATOM 1018 O HIS A 69 -1.761 9.029 -4.243 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.332 9.079 -1.414 1.00 0.00 C ATOM 1020 CG HIS A 69 -3.937 10.239 -0.684 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.289 10.508 -0.688 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.365 11.201 0.077 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.523 11.587 0.038 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.372 12.027 0.513 1.00 0.00 N ATOM 0 H HIS A 69 -5.317 7.817 -2.166 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.901 10.010 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.623 8.155 -0.915 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.246 9.147 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.313 11.301 0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.491 12.033 0.213 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.251 12.847 1.107 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.666 7.021 -3.782 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.662 6.274 -4.531 1.00 0.00 C ATOM 1035 C VAL A 70 -2.170 5.915 -5.923 1.00 0.00 C ATOM 1036 O VAL A 70 -3.351 6.085 -6.228 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.258 4.983 -3.795 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.761 5.301 -2.393 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.425 4.009 -3.748 1.00 0.00 C ATOM 0 H VAL A 70 -3.379 6.442 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.789 6.920 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.444 4.512 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.480 4.377 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.106 5.959 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.552 5.796 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.121 3.102 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.262 4.469 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.729 3.757 -4.764 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.271 5.416 -6.764 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.627 5.030 -8.124 1.00 0.00 C ATOM 1051 C LYS A 71 -1.112 3.630 -8.445 1.00 0.00 C ATOM 1052 O LYS A 71 0.077 3.347 -8.296 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.059 6.036 -9.127 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.574 5.841 -10.543 1.00 0.00 C ATOM 1055 CD LYS A 71 -2.991 6.367 -10.698 1.00 0.00 C ATOM 1056 CE LYS A 71 -3.018 7.886 -10.765 1.00 0.00 C ATOM 1057 NZ LYS A 71 -2.397 8.397 -12.018 1.00 0.00 N ATOM 0 H LYS A 71 -0.290 5.269 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.714 5.025 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.305 7.045 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.028 5.958 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.916 6.354 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.548 4.782 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.436 5.954 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.600 6.028 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.049 8.234 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.490 8.297 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.696 9.380 -12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.361 8.359 -11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.700 7.809 -12.820 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.014 2.760 -8.887 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.649 1.391 -9.231 1.00 0.00 C ATOM 1073 C ILE A 72 -0.878 1.342 -10.546 1.00 0.00 C ATOM 1074 O ILE A 72 -1.468 1.366 -11.626 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.892 0.489 -9.344 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.724 0.567 -8.062 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.479 -0.948 -9.628 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -3.108 -0.175 -6.897 1.00 0.00 C ATOM 0 H ILE A 72 -3.002 2.978 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.014 1.022 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.505 0.841 -10.174 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.856 1.613 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.717 0.161 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.368 -1.574 -9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.924 -0.989 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.848 -1.312 -8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.751 -0.077 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.001 -1.229 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.127 0.246 -6.675 1.00 0.00 H new ATOM 1090 N PHE A 73 0.446 1.271 -10.447 1.00 0.00 N ATOM 1091 CA PHE A 73 1.299 1.216 -11.628 1.00 0.00 C ATOM 1092 C PHE A 73 1.838 -0.194 -11.845 1.00 0.00 C ATOM 1093 O PHE A 73 1.506 -1.119 -11.103 1.00 0.00 O ATOM 1094 CB PHE A 73 2.460 2.203 -11.490 1.00 0.00 C ATOM 1095 CG PHE A 73 3.478 1.792 -10.464 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.203 1.909 -9.111 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.708 1.288 -10.853 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.137 1.531 -8.165 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.646 0.908 -9.911 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.360 1.031 -8.566 1.00 0.00 C ATOM 0 H PHE A 73 0.951 1.250 -9.561 1.00 0.00 H new ATOM 0 HA PHE A 73 0.697 1.492 -12.494 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.953 2.310 -12.456 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.064 3.183 -11.225 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.248 2.300 -8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.937 1.191 -11.904 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.911 1.627 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.601 0.515 -10.227 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.092 0.737 -7.828 1.00 0.00 H new ATOM 1110 N ASP A 74 2.672 -0.351 -12.867 1.00 0.00 N ATOM 1111 CA ASP A 74 3.259 -1.649 -13.183 1.00 0.00 C ATOM 1112 C ASP A 74 4.738 -1.681 -12.812 1.00 0.00 C ATOM 1113 O ASP A 74 5.614 -1.388 -13.625 1.00 0.00 O ATOM 1114 CB ASP A 74 3.087 -1.961 -14.670 1.00 0.00 C ATOM 1115 CG ASP A 74 3.166 -0.719 -15.536 1.00 0.00 C ATOM 1116 OD1 ASP A 74 4.284 -0.368 -15.968 1.00 0.00 O ATOM 1117 OD2 ASP A 74 2.110 -0.098 -15.781 1.00 0.00 O ATOM 0 H ASP A 74 2.957 0.404 -13.491 1.00 0.00 H new ATOM 0 HA ASP A 74 2.740 -2.408 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.857 -2.667 -14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.125 -2.449 -14.827 1.00 0.00 H new ATOM 1122 N PRO A 75 5.025 -2.044 -11.553 1.00 0.00 N ATOM 1123 CA PRO A 75 6.397 -2.123 -11.044 1.00 0.00 C ATOM 1124 C PRO A 75 7.178 -3.279 -11.660 1.00 0.00 C ATOM 1125 O PRO A 75 8.335 -3.513 -11.312 1.00 0.00 O ATOM 1126 CB PRO A 75 6.207 -2.346 -9.542 1.00 0.00 C ATOM 1127 CG PRO A 75 4.867 -2.985 -9.421 1.00 0.00 C ATOM 1128 CD PRO A 75 4.030 -2.407 -10.529 1.00 0.00 C ATOM 0 HA PRO A 75 6.973 -1.230 -11.286 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.989 -2.986 -9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.248 -1.405 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.942 -4.069 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.422 -2.778 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.309 -3.131 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.463 -1.539 -10.194 1.00 0.00 H new ATOM 1136 N GLN A 76 6.537 -3.999 -12.575 1.00 0.00 N ATOM 1137 CA GLN A 76 7.173 -5.131 -13.238 1.00 0.00 C ATOM 1138 C GLN A 76 8.006 -4.667 -14.429 1.00 0.00 C ATOM 1139 O GLN A 76 7.978 -5.281 -15.495 1.00 0.00 O ATOM 1140 CB GLN A 76 6.117 -6.137 -13.700 1.00 0.00 C ATOM 1141 CG GLN A 76 5.469 -6.905 -12.560 1.00 0.00 C ATOM 1142 CD GLN A 76 6.332 -8.048 -12.060 1.00 0.00 C ATOM 1143 OE1 GLN A 76 6.338 -9.135 -12.639 1.00 0.00 O ATOM 1144 NE2 GLN A 76 7.066 -7.808 -10.980 1.00 0.00 N ATOM 0 H GLN A 76 5.579 -3.819 -12.874 1.00 0.00 H new ATOM 0 HA GLN A 76 7.836 -5.614 -12.521 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.343 -5.609 -14.257 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.578 -6.845 -14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.266 -6.221 -11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.508 -7.299 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.030 -6.892 -10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.666 -8.539 -10.598 1.00 0.00 H new ATOM 1153 N ASN A 77 8.745 -3.580 -14.240 1.00 0.00 N ATOM 1154 CA ASN A 77 9.586 -3.033 -15.299 1.00 0.00 C ATOM 1155 C ASN A 77 11.062 -3.133 -14.929 1.00 0.00 C ATOM 1156 O ASN A 77 11.665 -2.190 -14.416 1.00 0.00 O ATOM 1157 CB ASN A 77 9.215 -1.573 -15.571 1.00 0.00 C ATOM 1158 CG ASN A 77 7.715 -1.363 -15.651 1.00 0.00 C ATOM 1159 OD1 ASN A 77 6.959 -2.299 -15.914 1.00 0.00 O ATOM 1160 ND2 ASN A 77 7.277 -0.130 -15.424 1.00 0.00 N ATOM 0 H ASN A 77 8.779 -3.060 -13.363 1.00 0.00 H new ATOM 0 HA ASN A 77 9.416 -3.619 -16.202 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.626 -0.943 -14.782 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.674 -1.252 -16.506 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.278 0.072 -15.464 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.940 0.615 -15.210 1.00 0.00 H new ATOM 1167 N PRO A 78 11.660 -4.304 -15.195 1.00 0.00 N ATOM 1168 CA PRO A 78 13.074 -4.556 -14.899 1.00 0.00 C ATOM 1169 C PRO A 78 14.007 -3.761 -15.806 1.00 0.00 C ATOM 1170 O PRO A 78 15.229 -3.842 -15.680 1.00 0.00 O ATOM 1171 CB PRO A 78 13.228 -6.057 -15.156 1.00 0.00 C ATOM 1172 CG PRO A 78 12.151 -6.386 -16.131 1.00 0.00 C ATOM 1173 CD PRO A 78 11.003 -5.472 -15.805 1.00 0.00 C ATOM 0 HA PRO A 78 13.338 -4.254 -13.886 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.213 -6.291 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.117 -6.630 -14.235 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.492 -6.234 -17.155 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.854 -7.431 -16.046 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.442 -5.197 -16.698 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.298 -5.941 -15.118 1.00 0.00 H new ATOM 1181 N ASP A 79 13.423 -2.993 -16.720 1.00 0.00 N ATOM 1182 CA ASP A 79 14.203 -2.182 -17.648 1.00 0.00 C ATOM 1183 C ASP A 79 14.545 -0.829 -17.031 1.00 0.00 C ATOM 1184 O ASP A 79 15.686 -0.373 -17.107 1.00 0.00 O ATOM 1185 CB ASP A 79 13.432 -1.980 -18.954 1.00 0.00 C ATOM 1186 CG ASP A 79 13.223 -3.279 -19.708 1.00 0.00 C ATOM 1187 OD1 ASP A 79 14.153 -4.112 -19.724 1.00 0.00 O ATOM 1188 OD2 ASP A 79 12.129 -3.461 -20.283 1.00 0.00 O ATOM 0 H ASP A 79 12.413 -2.915 -16.838 1.00 0.00 H new ATOM 0 HA ASP A 79 15.132 -2.710 -17.861 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.464 -1.530 -18.735 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.974 -1.278 -19.588 1.00 0.00 H new ATOM 1193 N GLU A 80 13.550 -0.192 -16.422 1.00 0.00 N ATOM 1194 CA GLU A 80 13.746 1.109 -15.795 1.00 0.00 C ATOM 1195 C GLU A 80 13.355 1.067 -14.320 1.00 0.00 C ATOM 1196 O GLU A 80 12.176 1.146 -13.978 1.00 0.00 O ATOM 1197 CB GLU A 80 12.928 2.179 -16.521 1.00 0.00 C ATOM 1198 CG GLU A 80 13.583 2.687 -17.794 1.00 0.00 C ATOM 1199 CD GLU A 80 14.693 3.684 -17.520 1.00 0.00 C ATOM 1200 OE1 GLU A 80 14.628 4.376 -16.483 1.00 0.00 O ATOM 1201 OE2 GLU A 80 15.627 3.772 -18.345 1.00 0.00 O ATOM 0 H GLU A 80 12.600 -0.556 -16.350 1.00 0.00 H new ATOM 0 HA GLU A 80 14.804 1.362 -15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.947 1.771 -16.765 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.765 3.019 -15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.987 1.843 -18.352 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.827 3.154 -18.426 1.00 0.00 H new ATOM 1208 N ASN A 81 14.354 0.942 -13.453 1.00 0.00 N ATOM 1209 CA ASN A 81 14.115 0.888 -12.015 1.00 0.00 C ATOM 1210 C ASN A 81 15.299 1.464 -11.245 1.00 0.00 C ATOM 1211 O ASN A 81 16.405 0.927 -11.294 1.00 0.00 O ATOM 1212 CB ASN A 81 13.858 -0.555 -11.573 1.00 0.00 C ATOM 1213 CG ASN A 81 14.850 -1.530 -12.178 1.00 0.00 C ATOM 1214 OD1 ASN A 81 16.062 -1.365 -12.041 1.00 0.00 O ATOM 1215 ND2 ASN A 81 14.337 -2.552 -12.853 1.00 0.00 N ATOM 0 H ASN A 81 15.336 0.876 -13.720 1.00 0.00 H new ATOM 0 HA ASN A 81 13.234 1.491 -11.796 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.911 -0.614 -10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.847 -0.845 -11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.955 -3.240 -13.284 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.325 -2.649 -12.941 1.00 0.00 H new ATOM 1222 N GLU A 82 15.057 2.561 -10.533 1.00 0.00 N ATOM 1223 CA GLU A 82 16.104 3.211 -9.753 1.00 0.00 C ATOM 1224 C GLU A 82 16.676 2.256 -8.709 1.00 0.00 C ATOM 1225 O GLU A 82 16.001 1.326 -8.267 1.00 0.00 O ATOM 1226 CB GLU A 82 15.557 4.464 -9.068 1.00 0.00 C ATOM 1227 CG GLU A 82 16.633 5.463 -8.676 1.00 0.00 C ATOM 1228 CD GLU A 82 17.365 6.033 -9.876 1.00 0.00 C ATOM 1229 OE1 GLU A 82 18.357 5.415 -10.315 1.00 0.00 O ATOM 1230 OE2 GLU A 82 16.944 7.097 -10.376 1.00 0.00 O ATOM 0 H GLU A 82 14.146 3.017 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 82 16.904 3.499 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.846 4.952 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.005 4.168 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.179 6.277 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.350 4.978 -8.014 1.00 0.00 H new ATOM 1237 N SER A 83 17.925 2.492 -8.321 1.00 0.00 N ATOM 1238 CA SER A 83 18.591 1.651 -7.333 1.00 0.00 C ATOM 1239 C SER A 83 17.947 1.815 -5.959 1.00 0.00 C ATOM 1240 O SER A 83 17.704 0.836 -5.255 1.00 0.00 O ATOM 1241 CB SER A 83 20.079 1.998 -7.256 1.00 0.00 C ATOM 1242 OG SER A 83 20.673 1.442 -6.096 1.00 0.00 O ATOM 0 H SER A 83 18.496 3.259 -8.676 1.00 0.00 H new ATOM 0 HA SER A 83 18.484 0.612 -7.645 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.589 1.625 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.203 3.081 -7.249 1.00 0.00 H new ATOM 0 HG SER A 83 21.624 1.677 -6.071 1.00 0.00 H new ATOM 1248 N GLY A 84 17.674 3.061 -5.585 1.00 0.00 N ATOM 1249 CA GLY A 84 17.062 3.331 -4.297 1.00 0.00 C ATOM 1250 C GLY A 84 17.149 4.794 -3.909 1.00 0.00 C ATOM 1251 O GLY A 84 18.044 5.211 -3.174 1.00 0.00 O ATOM 0 H GLY A 84 17.866 3.888 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.016 3.027 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.549 2.726 -3.533 1.00 0.00 H new ATOM 1255 N PRO A 85 16.203 5.601 -4.412 1.00 0.00 N ATOM 1256 CA PRO A 85 16.156 7.038 -4.128 1.00 0.00 C ATOM 1257 C PRO A 85 15.775 7.331 -2.681 1.00 0.00 C ATOM 1258 O PRO A 85 14.597 7.487 -2.358 1.00 0.00 O ATOM 1259 CB PRO A 85 15.073 7.552 -5.080 1.00 0.00 C ATOM 1260 CG PRO A 85 14.200 6.372 -5.335 1.00 0.00 C ATOM 1261 CD PRO A 85 15.106 5.172 -5.295 1.00 0.00 C ATOM 0 HA PRO A 85 17.127 7.513 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.510 8.372 -4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 85 15.507 7.931 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 85 13.417 6.295 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.704 6.455 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.593 4.294 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 85 15.469 4.910 -6.289 1.00 0.00 H new ATOM 1269 N SER A 86 16.779 7.405 -1.813 1.00 0.00 N ATOM 1270 CA SER A 86 16.549 7.677 -0.399 1.00 0.00 C ATOM 1271 C SER A 86 17.847 8.076 0.296 1.00 0.00 C ATOM 1272 O SER A 86 18.917 7.554 -0.016 1.00 0.00 O ATOM 1273 CB SER A 86 15.948 6.448 0.286 1.00 0.00 C ATOM 1274 OG SER A 86 14.532 6.475 0.230 1.00 0.00 O ATOM 0 H SER A 86 17.760 7.280 -2.064 1.00 0.00 H new ATOM 0 HA SER A 86 15.847 8.507 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.317 5.542 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.273 6.412 1.326 1.00 0.00 H new ATOM 0 HG SER A 86 14.246 6.819 -0.642 1.00 0.00 H new ATOM 1280 N SER A 87 17.744 9.007 1.239 1.00 0.00 N ATOM 1281 CA SER A 87 18.909 9.480 1.977 1.00 0.00 C ATOM 1282 C SER A 87 19.499 8.365 2.835 1.00 0.00 C ATOM 1283 O SER A 87 18.796 7.734 3.623 1.00 0.00 O ATOM 1284 CB SER A 87 18.532 10.672 2.859 1.00 0.00 C ATOM 1285 OG SER A 87 18.194 11.802 2.072 1.00 0.00 O ATOM 0 H SER A 87 16.865 9.449 1.510 1.00 0.00 H new ATOM 0 HA SER A 87 19.661 9.796 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.690 10.404 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.365 10.919 3.517 1.00 0.00 H new ATOM 0 HG SER A 87 17.955 12.550 2.659 1.00 0.00 H new ATOM 1291 N GLY A 88 20.798 8.128 2.675 1.00 0.00 N ATOM 1292 CA GLY A 88 21.462 7.089 3.441 1.00 0.00 C ATOM 1293 C GLY A 88 21.344 7.306 4.936 1.00 0.00 C ATOM 1294 O GLY A 88 20.734 6.501 5.640 1.00 0.00 O ATOM 0 H GLY A 88 21.402 8.637 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.033 6.121 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 88 22.516 7.055 3.164 1.00 0.00 H new TER 1298 GLY A 88