USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1102 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 38 MET CE :methyl 147:sc= -2.08 (180deg=-3.75!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= -1.1 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.103 USER MOD Set 2.2: A 98 THR OG1 : rot -100:sc= 0.193 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.536 K(o=-0.54,f=-3!) USER MOD Single : A 5 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 6 THR OG1 : rot 41:sc= -0.204! USER MOD Single : A 8 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.25) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -4.96 K(o=-5,f=-6.1!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00151) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -154:sc= -1.09 USER MOD Single : A 29 THR OG1 : rot -96:sc= 0.791 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.17 F(o=-3.2!,f=-1.2) USER MOD Single : A 48 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-5.1!) USER MOD Single : A 51 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.037) USER MOD Single : A 53 GLN : amide:sc= -4.21! C(o=-4.2!,f=-4.3!) USER MOD Single : A 59 SER OG : rot 67:sc= 0.985 USER MOD Single : A 61 CYS SG : rot 52:sc= -1.98! USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 0.0144 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.875 K(o=0.87,f=-0.18) USER MOD Single : A 71 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.04) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -57:sc= 0.244 USER MOD Single : A 78 THR OG1 : rot -150:sc= -1.16 USER MOD Single : A 84 SER OG : rot 82:sc= 1.29 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc=-0.00225 (180deg=-0.174) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 91:sc= -0.655 USER MOD Single : A 101 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-2.8!) USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 0.0272 (180deg=0.0265) USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.499 F(o=-1.1,f=-0.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.0067) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 102:sc= -0.362! USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.092 14.921 -2.176 1.00 0.00 N ATOM 2 CA MET A 1 -25.568 16.129 -1.563 1.00 0.00 C ATOM 3 C MET A 1 -24.481 15.796 -0.538 1.00 0.00 C ATOM 4 O MET A 1 -24.748 15.746 0.661 1.00 0.00 O ATOM 5 CB MET A 1 -26.704 16.886 -0.874 1.00 0.00 C ATOM 6 CG MET A 1 -26.580 18.393 -1.107 1.00 0.00 C ATOM 7 SD MET A 1 -27.565 18.876 -2.515 1.00 0.00 S ATOM 8 CE MET A 1 -29.116 19.224 -1.703 1.00 0.00 C ATOM 0 H1 MET A 1 -26.827 15.173 -2.867 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.322 14.415 -2.659 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.502 14.309 -1.442 1.00 0.00 H new ATOM 0 HA MET A 1 -25.128 16.749 -2.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.663 16.534 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.688 16.677 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.908 18.935 -0.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.536 18.659 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.851 19.542 -2.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.473 18.325 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.973 20.018 -0.970 1.00 0.00 H new ATOM 18 N GLU A 2 -23.278 15.577 -1.049 1.00 0.00 N ATOM 19 CA GLU A 2 -22.150 15.250 -0.194 1.00 0.00 C ATOM 20 C GLU A 2 -22.344 13.869 0.436 1.00 0.00 C ATOM 21 O GLU A 2 -22.605 13.760 1.633 1.00 0.00 O ATOM 22 CB GLU A 2 -21.949 16.320 0.881 1.00 0.00 C ATOM 23 CG GLU A 2 -20.474 16.707 1.001 1.00 0.00 C ATOM 24 CD GLU A 2 -20.063 16.853 2.468 1.00 0.00 C ATOM 25 OE1 GLU A 2 -20.703 17.676 3.157 1.00 0.00 O ATOM 26 OE2 GLU A 2 -19.118 16.139 2.866 1.00 0.00 O ATOM 0 H GLU A 2 -23.060 15.620 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 2 -21.249 15.224 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.541 17.202 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.310 15.949 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.855 15.949 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.296 17.645 0.475 1.00 0.00 H new ATOM 33 N GLN A 3 -22.208 12.849 -0.399 1.00 0.00 N ATOM 34 CA GLN A 3 -22.365 11.480 0.061 1.00 0.00 C ATOM 35 C GLN A 3 -21.707 10.511 -0.923 1.00 0.00 C ATOM 36 O GLN A 3 -21.220 10.924 -1.975 1.00 0.00 O ATOM 37 CB GLN A 3 -23.841 11.136 0.265 1.00 0.00 C ATOM 38 CG GLN A 3 -24.059 10.428 1.604 1.00 0.00 C ATOM 39 CD GLN A 3 -25.549 10.201 1.868 1.00 0.00 C ATOM 40 OE1 GLN A 3 -26.151 9.249 1.397 1.00 0.00 O ATOM 41 NE2 GLN A 3 -26.108 11.124 2.644 1.00 0.00 N ATOM 0 H GLN A 3 -21.991 12.944 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 3 -21.867 11.382 1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.439 12.047 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -24.185 10.497 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -23.536 9.471 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.630 11.025 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -25.546 11.895 3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -27.099 11.061 2.879 1.00 0.00 H new ATOM 50 N GLN A 4 -21.712 9.241 -0.547 1.00 0.00 N ATOM 51 CA GLN A 4 -21.122 8.210 -1.383 1.00 0.00 C ATOM 52 C GLN A 4 -22.131 7.087 -1.634 1.00 0.00 C ATOM 53 O GLN A 4 -22.950 6.779 -0.769 1.00 0.00 O ATOM 54 CB GLN A 4 -19.838 7.663 -0.755 1.00 0.00 C ATOM 55 CG GLN A 4 -18.664 7.767 -1.730 1.00 0.00 C ATOM 56 CD GLN A 4 -18.072 9.178 -1.726 1.00 0.00 C ATOM 57 OE1 GLN A 4 -18.775 10.174 -1.687 1.00 0.00 O ATOM 58 NE2 GLN A 4 -16.743 9.207 -1.770 1.00 0.00 N ATOM 0 H GLN A 4 -22.116 8.902 0.326 1.00 0.00 H new ATOM 0 HA GLN A 4 -20.858 8.655 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.609 8.217 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.985 6.622 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.894 7.045 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.998 7.512 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.215 8.335 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.252 10.101 -1.772 1.00 0.00 H new ATOM 67 N ASN A 5 -22.040 6.507 -2.821 1.00 0.00 N ATOM 68 CA ASN A 5 -22.935 5.425 -3.197 1.00 0.00 C ATOM 69 C ASN A 5 -22.159 4.106 -3.203 1.00 0.00 C ATOM 70 O ASN A 5 -20.947 4.094 -2.994 1.00 0.00 O ATOM 71 CB ASN A 5 -23.506 5.645 -4.599 1.00 0.00 C ATOM 72 CG ASN A 5 -23.635 7.137 -4.911 1.00 0.00 C ATOM 73 OD1 ASN A 5 -24.609 7.787 -4.569 1.00 0.00 O ATOM 74 ND2 ASN A 5 -22.601 7.641 -5.579 1.00 0.00 N ATOM 0 H ASN A 5 -21.360 6.766 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 5 -23.752 5.396 -2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -22.860 5.170 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -24.483 5.168 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -22.592 8.628 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -21.817 7.040 -5.834 1.00 0.00 H new ATOM 81 N THR A 6 -22.890 3.028 -3.444 1.00 0.00 N ATOM 82 CA THR A 6 -22.286 1.707 -3.480 1.00 0.00 C ATOM 83 C THR A 6 -21.357 1.513 -2.281 1.00 0.00 C ATOM 84 O THR A 6 -21.304 2.358 -1.388 1.00 0.00 O ATOM 85 CB THR A 6 -21.581 1.546 -4.828 1.00 0.00 C ATOM 86 OG1 THR A 6 -20.791 2.726 -4.949 1.00 0.00 O ATOM 87 CG2 THR A 6 -22.550 1.624 -6.009 1.00 0.00 C ATOM 0 H THR A 6 -23.895 3.042 -3.616 1.00 0.00 H new ATOM 0 HA THR A 6 -23.040 0.925 -3.396 1.00 0.00 H new ATOM 0 HB THR A 6 -21.057 0.591 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 6 -20.378 2.933 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 6 -21.998 1.504 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 6 -23.293 0.831 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 6 -23.050 2.592 -6.006 1.00 0.00 H new ATOM 95 N LEU A 7 -20.646 0.395 -2.298 1.00 0.00 N ATOM 96 CA LEU A 7 -19.721 0.079 -1.223 1.00 0.00 C ATOM 97 C LEU A 7 -18.605 1.125 -1.193 1.00 0.00 C ATOM 98 O LEU A 7 -17.825 1.232 -2.137 1.00 0.00 O ATOM 99 CB LEU A 7 -19.214 -1.358 -1.357 1.00 0.00 C ATOM 100 CG LEU A 7 -20.095 -2.442 -0.732 1.00 0.00 C ATOM 101 CD1 LEU A 7 -20.083 -3.716 -1.579 1.00 0.00 C ATOM 102 CD2 LEU A 7 -19.685 -2.713 0.717 1.00 0.00 C ATOM 0 H LEU A 7 -20.692 -0.304 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 7 -20.227 0.125 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.094 -1.582 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.224 -1.417 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.122 -2.078 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.717 -4.470 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.460 -3.493 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -19.063 -4.095 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.327 -3.487 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.648 -3.046 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.788 -1.799 1.301 1.00 0.00 H new ATOM 114 N ASN A 8 -18.564 1.868 -0.097 1.00 0.00 N ATOM 115 CA ASN A 8 -17.556 2.902 0.069 1.00 0.00 C ATOM 116 C ASN A 8 -16.182 2.329 -0.285 1.00 0.00 C ATOM 117 O ASN A 8 -15.956 1.126 -0.161 1.00 0.00 O ATOM 118 CB ASN A 8 -17.505 3.394 1.516 1.00 0.00 C ATOM 119 CG ASN A 8 -18.913 3.655 2.057 1.00 0.00 C ATOM 120 OD1 ASN A 8 -19.556 4.641 1.736 1.00 0.00 O ATOM 121 ND2 ASN A 8 -19.353 2.719 2.893 1.00 0.00 N ATOM 0 H ASN A 8 -19.212 1.775 0.685 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.815 3.734 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.004 2.653 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.915 4.309 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.281 2.802 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.763 1.919 3.119 1.00 0.00 H new ATOM 128 N ASP A 9 -15.300 3.218 -0.717 1.00 0.00 N ATOM 129 CA ASP A 9 -13.954 2.816 -1.089 1.00 0.00 C ATOM 130 C ASP A 9 -13.063 2.818 0.155 1.00 0.00 C ATOM 131 O ASP A 9 -13.009 3.808 0.883 1.00 0.00 O ATOM 132 CB ASP A 9 -13.350 3.788 -2.104 1.00 0.00 C ATOM 133 CG ASP A 9 -14.364 4.502 -3.000 1.00 0.00 C ATOM 134 OD1 ASP A 9 -15.088 3.783 -3.723 1.00 0.00 O ATOM 135 OD2 ASP A 9 -14.394 5.750 -2.941 1.00 0.00 O ATOM 0 H ASP A 9 -15.491 4.215 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.009 1.821 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.772 4.539 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.651 3.241 -2.737 1.00 0.00 H new ATOM 140 N ILE A 10 -12.387 1.697 0.361 1.00 0.00 N ATOM 141 CA ILE A 10 -11.502 1.557 1.505 1.00 0.00 C ATOM 142 C ILE A 10 -10.361 2.570 1.388 1.00 0.00 C ATOM 143 O ILE A 10 -9.272 2.233 0.925 1.00 0.00 O ATOM 144 CB ILE A 10 -11.027 0.109 1.641 1.00 0.00 C ATOM 145 CG1 ILE A 10 -12.191 -0.818 1.998 1.00 0.00 C ATOM 146 CG2 ILE A 10 -9.879 0.001 2.646 1.00 0.00 C ATOM 147 CD1 ILE A 10 -11.872 -2.267 1.623 1.00 0.00 C ATOM 0 H ILE A 10 -12.434 0.878 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.035 1.781 2.429 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.641 -0.216 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.399 -0.752 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.092 -0.494 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.560 -1.038 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.042 0.613 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.215 0.351 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.715 -2.905 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.689 -2.333 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.985 -2.596 2.164 1.00 0.00 H new ATOM 159 N LYS A 11 -10.650 3.790 1.816 1.00 0.00 N ATOM 160 CA LYS A 11 -9.661 4.854 1.766 1.00 0.00 C ATOM 161 C LYS A 11 -8.827 4.831 3.048 1.00 0.00 C ATOM 162 O LYS A 11 -9.370 4.704 4.144 1.00 0.00 O ATOM 163 CB LYS A 11 -10.337 6.200 1.496 1.00 0.00 C ATOM 164 CG LYS A 11 -9.304 7.267 1.126 1.00 0.00 C ATOM 165 CD LYS A 11 -9.931 8.663 1.135 1.00 0.00 C ATOM 166 CE LYS A 11 -10.967 8.807 0.019 1.00 0.00 C ATOM 167 NZ LYS A 11 -11.876 9.941 0.298 1.00 0.00 N ATOM 0 H LYS A 11 -11.554 4.066 2.199 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.973 4.696 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.060 6.092 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.892 6.516 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.473 7.233 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.894 7.055 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.403 8.847 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.152 9.416 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.463 8.963 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.543 7.886 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.573 10.024 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.370 9.776 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.325 10.820 0.362 1.00 0.00 H new ATOM 181 N GLN A 12 -7.520 4.956 2.868 1.00 0.00 N ATOM 182 CA GLN A 12 -6.606 4.950 3.997 1.00 0.00 C ATOM 183 C GLN A 12 -5.632 6.126 3.897 1.00 0.00 C ATOM 184 O GLN A 12 -4.534 5.984 3.362 1.00 0.00 O ATOM 185 CB GLN A 12 -5.853 3.621 4.086 1.00 0.00 C ATOM 186 CG GLN A 12 -6.789 2.488 4.512 1.00 0.00 C ATOM 187 CD GLN A 12 -6.008 1.353 5.177 1.00 0.00 C ATOM 188 OE1 GLN A 12 -4.949 1.546 5.751 1.00 0.00 O ATOM 189 NE2 GLN A 12 -6.589 0.161 5.069 1.00 0.00 N ATOM 0 H GLN A 12 -7.073 5.062 1.957 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.188 5.062 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.408 3.386 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.035 3.710 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.539 2.872 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.323 2.106 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.476 0.069 4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.147 -0.661 5.481 1.00 0.00 H new ATOM 198 N THR A 13 -6.070 7.262 4.420 1.00 0.00 N ATOM 199 CA THR A 13 -5.251 8.462 4.396 1.00 0.00 C ATOM 200 C THR A 13 -4.260 8.454 5.562 1.00 0.00 C ATOM 201 O THR A 13 -4.660 8.360 6.721 1.00 0.00 O ATOM 202 CB THR A 13 -6.186 9.673 4.402 1.00 0.00 C ATOM 203 OG1 THR A 13 -6.633 9.773 3.052 1.00 0.00 O ATOM 204 CG2 THR A 13 -5.442 10.987 4.647 1.00 0.00 C ATOM 0 H THR A 13 -6.982 7.377 4.863 1.00 0.00 H new ATOM 0 HA THR A 13 -4.642 8.508 3.493 1.00 0.00 H new ATOM 0 HB THR A 13 -6.948 9.539 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.246 10.533 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.152 11.814 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.940 10.946 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.703 11.139 3.861 1.00 0.00 H new ATOM 212 N ILE A 14 -2.986 8.555 5.213 1.00 0.00 N ATOM 213 CA ILE A 14 -1.934 8.560 6.216 1.00 0.00 C ATOM 214 C ILE A 14 -0.741 9.364 5.694 1.00 0.00 C ATOM 215 O ILE A 14 -0.550 9.482 4.484 1.00 0.00 O ATOM 216 CB ILE A 14 -1.579 7.130 6.628 1.00 0.00 C ATOM 217 CG1 ILE A 14 -0.420 7.120 7.628 1.00 0.00 C ATOM 218 CG2 ILE A 14 -1.286 6.263 5.402 1.00 0.00 C ATOM 219 CD1 ILE A 14 -0.066 5.690 8.042 1.00 0.00 C ATOM 0 H ILE A 14 -2.658 8.634 4.250 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.278 9.053 7.126 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.442 6.694 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.452 7.601 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.690 7.701 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.036 5.252 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.166 6.233 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.447 6.686 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.760 5.711 8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.933 5.221 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.227 5.118 7.161 1.00 0.00 H new ATOM 231 N VAL A 15 0.029 9.896 6.631 1.00 0.00 N ATOM 232 CA VAL A 15 1.198 10.685 6.280 1.00 0.00 C ATOM 233 C VAL A 15 2.461 9.932 6.701 1.00 0.00 C ATOM 234 O VAL A 15 2.615 9.573 7.867 1.00 0.00 O ATOM 235 CB VAL A 15 1.096 12.078 6.906 1.00 0.00 C ATOM 236 CG1 VAL A 15 2.328 12.920 6.571 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.188 12.784 6.465 1.00 0.00 C ATOM 0 H VAL A 15 -0.133 9.796 7.633 1.00 0.00 H new ATOM 0 HA VAL A 15 1.251 10.831 5.201 1.00 0.00 H new ATOM 0 HB VAL A 15 1.057 11.958 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.231 13.905 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.221 12.428 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.412 13.028 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.236 13.772 6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.192 12.887 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.052 12.197 6.777 1.00 0.00 H new ATOM 247 N PHE A 16 3.334 9.715 5.727 1.00 0.00 N ATOM 248 CA PHE A 16 4.579 9.011 5.982 1.00 0.00 C ATOM 249 C PHE A 16 5.765 9.978 5.988 1.00 0.00 C ATOM 250 O PHE A 16 5.710 11.037 5.364 1.00 0.00 O ATOM 251 CB PHE A 16 4.764 8.004 4.845 1.00 0.00 C ATOM 252 CG PHE A 16 3.903 6.746 4.982 1.00 0.00 C ATOM 253 CD1 PHE A 16 3.850 6.085 6.169 1.00 0.00 C ATOM 254 CD2 PHE A 16 3.192 6.289 3.917 1.00 0.00 C ATOM 255 CE1 PHE A 16 3.051 4.917 6.297 1.00 0.00 C ATOM 256 CE2 PHE A 16 2.393 5.122 4.044 1.00 0.00 C ATOM 257 CZ PHE A 16 2.340 4.461 5.231 1.00 0.00 C ATOM 0 H PHE A 16 3.203 10.014 4.761 1.00 0.00 H new ATOM 0 HA PHE A 16 4.538 8.523 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.528 8.492 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.813 7.711 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.415 6.448 7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.235 6.814 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.008 4.392 7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.828 4.760 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.733 3.573 5.327 1.00 0.00 H new ATOM 267 N ASN A 17 6.809 9.580 6.699 1.00 0.00 N ATOM 268 CA ASN A 17 8.006 10.398 6.795 1.00 0.00 C ATOM 269 C ASN A 17 8.951 10.048 5.643 1.00 0.00 C ATOM 270 O ASN A 17 9.921 9.317 5.833 1.00 0.00 O ATOM 271 CB ASN A 17 8.746 10.141 8.109 1.00 0.00 C ATOM 272 CG ASN A 17 9.552 11.370 8.534 1.00 0.00 C ATOM 273 OD1 ASN A 17 10.686 11.570 8.130 1.00 0.00 O ATOM 274 ND2 ASN A 17 8.906 12.178 9.369 1.00 0.00 N ATOM 0 H ASN A 17 6.851 8.701 7.215 1.00 0.00 H new ATOM 0 HA ASN A 17 7.704 11.444 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.030 9.884 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.413 9.286 7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.359 13.025 9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.958 11.950 9.667 1.00 0.00 H new ATOM 281 N ALA A 18 8.634 10.588 4.475 1.00 0.00 N ATOM 282 CA ALA A 18 9.442 10.341 3.294 1.00 0.00 C ATOM 283 C ALA A 18 8.964 11.246 2.156 1.00 0.00 C ATOM 284 O ALA A 18 8.082 12.081 2.351 1.00 0.00 O ATOM 285 CB ALA A 18 9.372 8.858 2.927 1.00 0.00 C ATOM 0 H ALA A 18 7.829 11.195 4.322 1.00 0.00 H new ATOM 0 HA ALA A 18 10.488 10.579 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.979 8.674 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.750 8.260 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.337 8.582 2.722 1.00 0.00 H new ATOM 291 N SER A 19 9.568 11.050 0.993 1.00 0.00 N ATOM 292 CA SER A 19 9.215 11.838 -0.175 1.00 0.00 C ATOM 293 C SER A 19 8.368 11.001 -1.135 1.00 0.00 C ATOM 294 O SER A 19 8.461 9.774 -1.142 1.00 0.00 O ATOM 295 CB SER A 19 10.466 12.358 -0.888 1.00 0.00 C ATOM 296 OG SER A 19 11.412 12.905 0.027 1.00 0.00 O ATOM 0 H SER A 19 10.299 10.357 0.835 1.00 0.00 H new ATOM 0 HA SER A 19 8.634 12.698 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.930 11.545 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.180 13.120 -1.613 1.00 0.00 H new ATOM 0 HG SER A 19 12.197 13.224 -0.466 1.00 0.00 H new ATOM 302 N ILE A 20 7.560 11.696 -1.922 1.00 0.00 N ATOM 303 CA ILE A 20 6.696 11.032 -2.883 1.00 0.00 C ATOM 304 C ILE A 20 7.525 10.047 -3.711 1.00 0.00 C ATOM 305 O ILE A 20 7.091 8.925 -3.964 1.00 0.00 O ATOM 306 CB ILE A 20 5.941 12.061 -3.726 1.00 0.00 C ATOM 307 CG1 ILE A 20 5.053 11.374 -4.765 1.00 0.00 C ATOM 308 CG2 ILE A 20 6.907 13.059 -4.367 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.807 12.211 -5.062 1.00 0.00 C ATOM 0 H ILE A 20 7.485 12.713 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 20 5.929 10.452 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 20 5.284 12.627 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.617 11.217 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.756 10.390 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.345 13.780 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.459 13.584 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.607 12.526 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.193 11.700 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.232 12.345 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.107 13.185 -5.448 1.00 0.00 H new ATOM 321 N GLN A 21 8.703 10.504 -4.110 1.00 0.00 N ATOM 322 CA GLN A 21 9.596 9.678 -4.904 1.00 0.00 C ATOM 323 C GLN A 21 9.898 8.368 -4.173 1.00 0.00 C ATOM 324 O GLN A 21 9.862 7.295 -4.773 1.00 0.00 O ATOM 325 CB GLN A 21 10.885 10.429 -5.239 1.00 0.00 C ATOM 326 CG GLN A 21 10.606 11.611 -6.171 1.00 0.00 C ATOM 327 CD GLN A 21 10.097 11.128 -7.531 1.00 0.00 C ATOM 328 OE1 GLN A 21 10.856 10.759 -8.411 1.00 0.00 O ATOM 329 NE2 GLN A 21 8.773 11.152 -7.652 1.00 0.00 N ATOM 0 H GLN A 21 9.060 11.436 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 21 9.099 9.440 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.350 10.787 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.594 9.749 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.868 12.271 -5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.516 12.195 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.196 11.473 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.335 10.849 -8.522 1.00 0.00 H new ATOM 338 N LYS A 22 10.189 8.500 -2.887 1.00 0.00 N ATOM 339 CA LYS A 22 10.498 7.340 -2.067 1.00 0.00 C ATOM 340 C LYS A 22 9.230 6.505 -1.876 1.00 0.00 C ATOM 341 O LYS A 22 9.225 5.306 -2.152 1.00 0.00 O ATOM 342 CB LYS A 22 11.154 7.771 -0.755 1.00 0.00 C ATOM 343 CG LYS A 22 12.348 6.876 -0.418 1.00 0.00 C ATOM 344 CD LYS A 22 12.031 5.961 0.767 1.00 0.00 C ATOM 345 CE LYS A 22 11.912 6.766 2.063 1.00 0.00 C ATOM 346 NZ LYS A 22 13.253 7.101 2.590 1.00 0.00 N ATOM 0 H LYS A 22 10.217 9.392 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 22 11.228 6.703 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.482 8.807 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.423 7.727 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.612 6.273 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.215 7.494 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.100 5.426 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.814 5.210 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.348 7.681 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.356 6.192 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.154 7.632 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.785 6.225 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.764 7.681 1.895 1.00 0.00 H new ATOM 360 N VAL A 23 8.187 7.171 -1.403 1.00 0.00 N ATOM 361 CA VAL A 23 6.916 6.505 -1.171 1.00 0.00 C ATOM 362 C VAL A 23 6.461 5.821 -2.462 1.00 0.00 C ATOM 363 O VAL A 23 5.880 4.737 -2.423 1.00 0.00 O ATOM 364 CB VAL A 23 5.892 7.504 -0.630 1.00 0.00 C ATOM 365 CG1 VAL A 23 4.529 6.839 -0.431 1.00 0.00 C ATOM 366 CG2 VAL A 23 6.385 8.145 0.668 1.00 0.00 C ATOM 0 H VAL A 23 8.196 8.165 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 23 7.024 5.729 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 23 5.773 8.296 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.820 7.571 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.170 6.453 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.625 6.018 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.638 8.851 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.547 7.370 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.321 8.671 0.481 1.00 0.00 H new ATOM 376 N TRP A 24 6.741 6.483 -3.575 1.00 0.00 N ATOM 377 CA TRP A 24 6.367 5.953 -4.875 1.00 0.00 C ATOM 378 C TRP A 24 7.195 4.691 -5.127 1.00 0.00 C ATOM 379 O TRP A 24 6.651 3.652 -5.498 1.00 0.00 O ATOM 380 CB TRP A 24 6.539 7.009 -5.968 1.00 0.00 C ATOM 381 CG TRP A 24 6.714 6.429 -7.373 1.00 0.00 C ATOM 382 CD1 TRP A 24 7.819 6.417 -8.130 1.00 0.00 C ATOM 383 CD2 TRP A 24 5.701 5.771 -8.163 1.00 0.00 C ATOM 384 NE1 TRP A 24 7.594 5.803 -9.345 1.00 0.00 N ATOM 385 CE2 TRP A 24 6.265 5.397 -9.366 1.00 0.00 C ATOM 386 CE3 TRP A 24 4.352 5.501 -7.872 1.00 0.00 C ATOM 387 CZ2 TRP A 24 5.555 4.733 -10.373 1.00 0.00 C ATOM 388 CZ3 TRP A 24 3.656 4.836 -8.888 1.00 0.00 C ATOM 389 CH2 TRP A 24 4.209 4.453 -10.104 1.00 0.00 C ATOM 0 H TRP A 24 7.223 7.382 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 24 5.310 5.686 -4.893 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.670 7.667 -5.963 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.406 7.625 -5.730 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.767 6.836 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.277 5.671 -10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.889 5.784 -6.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.020 4.452 -11.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.616 4.604 -8.715 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.604 3.942 -10.838 1.00 0.00 H new ATOM 400 N SER A 25 8.496 4.824 -4.916 1.00 0.00 N ATOM 401 CA SER A 25 9.404 3.707 -5.116 1.00 0.00 C ATOM 402 C SER A 25 8.939 2.502 -4.296 1.00 0.00 C ATOM 403 O SER A 25 9.149 1.357 -4.695 1.00 0.00 O ATOM 404 CB SER A 25 10.836 4.087 -4.735 1.00 0.00 C ATOM 405 OG SER A 25 11.547 2.990 -4.168 1.00 0.00 O ATOM 0 H SER A 25 8.943 5.688 -4.609 1.00 0.00 H new ATOM 0 HA SER A 25 9.396 3.444 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.364 4.443 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.815 4.912 -4.023 1.00 0.00 H new ATOM 0 HG SER A 25 12.457 3.273 -3.940 1.00 0.00 H new ATOM 411 N VAL A 26 8.317 2.800 -3.165 1.00 0.00 N ATOM 412 CA VAL A 26 7.821 1.755 -2.286 1.00 0.00 C ATOM 413 C VAL A 26 6.553 1.145 -2.890 1.00 0.00 C ATOM 414 O VAL A 26 6.020 0.169 -2.366 1.00 0.00 O ATOM 415 CB VAL A 26 7.603 2.314 -0.879 1.00 0.00 C ATOM 416 CG1 VAL A 26 6.688 1.401 -0.061 1.00 0.00 C ATOM 417 CG2 VAL A 26 8.938 2.535 -0.164 1.00 0.00 C ATOM 0 H VAL A 26 8.145 3.750 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 26 8.555 0.954 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 26 7.110 3.281 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.550 1.822 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.721 1.317 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.140 0.413 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.755 2.933 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.470 1.587 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.542 3.243 -0.732 1.00 0.00 H new ATOM 427 N VAL A 27 6.109 1.747 -3.983 1.00 0.00 N ATOM 428 CA VAL A 27 4.915 1.276 -4.663 1.00 0.00 C ATOM 429 C VAL A 27 5.149 1.305 -6.175 1.00 0.00 C ATOM 430 O VAL A 27 4.267 1.700 -6.936 1.00 0.00 O ATOM 431 CB VAL A 27 3.704 2.106 -4.230 1.00 0.00 C ATOM 432 CG1 VAL A 27 3.498 2.025 -2.716 1.00 0.00 C ATOM 433 CG2 VAL A 27 3.842 3.558 -4.689 1.00 0.00 C ATOM 0 H VAL A 27 6.555 2.557 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 27 4.701 0.244 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 27 2.820 1.687 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.632 2.623 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.332 0.987 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.383 2.407 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.968 4.126 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.739 3.995 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.917 3.590 -5.776 1.00 0.00 H new ATOM 443 N SER A 28 6.342 0.881 -6.565 1.00 0.00 N ATOM 444 CA SER A 28 6.704 0.854 -7.972 1.00 0.00 C ATOM 445 C SER A 28 7.898 -0.078 -8.187 1.00 0.00 C ATOM 446 O SER A 28 8.676 0.109 -9.122 1.00 0.00 O ATOM 447 CB SER A 28 7.027 2.258 -8.485 1.00 0.00 C ATOM 448 OG SER A 28 8.241 2.762 -7.933 1.00 0.00 O ATOM 0 H SER A 28 7.071 0.553 -5.931 1.00 0.00 H new ATOM 0 HA SER A 28 5.851 0.478 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.104 2.238 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.208 2.932 -8.236 1.00 0.00 H new ATOM 0 HG SER A 28 8.217 3.742 -7.929 1.00 0.00 H new ATOM 454 N THR A 29 8.007 -1.062 -7.306 1.00 0.00 N ATOM 455 CA THR A 29 9.094 -2.023 -7.388 1.00 0.00 C ATOM 456 C THR A 29 8.577 -3.437 -7.113 1.00 0.00 C ATOM 457 O THR A 29 7.414 -3.618 -6.755 1.00 0.00 O ATOM 458 CB THR A 29 10.192 -1.578 -6.420 1.00 0.00 C ATOM 459 OG1 THR A 29 9.488 -1.233 -5.231 1.00 0.00 O ATOM 460 CG2 THR A 29 10.859 -0.271 -6.852 1.00 0.00 C ATOM 0 H THR A 29 7.360 -1.214 -6.532 1.00 0.00 H new ATOM 0 HA THR A 29 9.519 -2.056 -8.391 1.00 0.00 H new ATOM 0 HB THR A 29 10.946 -2.361 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.323 -0.267 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.630 -0.000 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.311 -0.401 -7.835 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.112 0.521 -6.898 1.00 0.00 H new ATOM 468 N ALA A 30 9.467 -4.402 -7.290 1.00 0.00 N ATOM 469 CA ALA A 30 9.115 -5.794 -7.065 1.00 0.00 C ATOM 470 C ALA A 30 9.350 -6.144 -5.594 1.00 0.00 C ATOM 471 O ALA A 30 8.520 -6.801 -4.969 1.00 0.00 O ATOM 472 CB ALA A 30 9.923 -6.684 -8.012 1.00 0.00 C ATOM 0 H ALA A 30 10.431 -4.248 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 30 8.060 -5.962 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.659 -7.728 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.699 -6.415 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.987 -6.544 -7.824 1.00 0.00 H new ATOM 478 N GLU A 31 10.485 -5.688 -5.085 1.00 0.00 N ATOM 479 CA GLU A 31 10.840 -5.945 -3.699 1.00 0.00 C ATOM 480 C GLU A 31 10.084 -4.990 -2.773 1.00 0.00 C ATOM 481 O GLU A 31 9.594 -5.398 -1.721 1.00 0.00 O ATOM 482 CB GLU A 31 12.351 -5.831 -3.490 1.00 0.00 C ATOM 483 CG GLU A 31 12.907 -7.087 -2.816 1.00 0.00 C ATOM 484 CD GLU A 31 13.236 -6.821 -1.346 1.00 0.00 C ATOM 485 OE1 GLU A 31 12.395 -6.175 -0.684 1.00 0.00 O ATOM 486 OE2 GLU A 31 14.321 -7.270 -0.917 1.00 0.00 O ATOM 0 H GLU A 31 11.171 -5.142 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 31 10.549 -6.966 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.844 -5.680 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.572 -4.957 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.179 -7.895 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.804 -7.418 -3.339 1.00 0.00 H new ATOM 493 N GLY A 32 10.015 -3.737 -3.197 1.00 0.00 N ATOM 494 CA GLY A 32 9.327 -2.720 -2.418 1.00 0.00 C ATOM 495 C GLY A 32 7.900 -3.158 -2.082 1.00 0.00 C ATOM 496 O GLY A 32 7.495 -3.128 -0.921 1.00 0.00 O ATOM 0 H GLY A 32 10.424 -3.402 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.878 -2.527 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.302 -1.784 -2.976 1.00 0.00 H new ATOM 500 N ILE A 33 7.178 -3.555 -3.120 1.00 0.00 N ATOM 501 CA ILE A 33 5.805 -3.999 -2.949 1.00 0.00 C ATOM 502 C ILE A 33 5.782 -5.245 -2.061 1.00 0.00 C ATOM 503 O ILE A 33 5.094 -5.272 -1.042 1.00 0.00 O ATOM 504 CB ILE A 33 5.135 -4.202 -4.310 1.00 0.00 C ATOM 505 CG1 ILE A 33 5.007 -2.875 -5.061 1.00 0.00 C ATOM 506 CG2 ILE A 33 3.785 -4.906 -4.157 1.00 0.00 C ATOM 507 CD1 ILE A 33 4.725 -3.111 -6.547 1.00 0.00 C ATOM 0 H ILE A 33 7.518 -3.578 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 33 5.218 -3.234 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 33 5.771 -4.852 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.203 -2.282 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.926 -2.299 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.330 -5.038 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.934 -5.881 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.128 -4.302 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.638 -2.152 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.542 -3.683 -6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.793 -3.666 -6.657 1.00 0.00 H new ATOM 519 N ALA A 34 6.544 -6.245 -2.480 1.00 0.00 N ATOM 520 CA ALA A 34 6.620 -7.490 -1.735 1.00 0.00 C ATOM 521 C ALA A 34 6.960 -7.186 -0.274 1.00 0.00 C ATOM 522 O ALA A 34 6.690 -7.996 0.611 1.00 0.00 O ATOM 523 CB ALA A 34 7.646 -8.416 -2.391 1.00 0.00 C ATOM 0 H ALA A 34 7.114 -6.218 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 34 5.659 -8.005 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.703 -9.350 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.344 -8.625 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.623 -7.934 -2.392 1.00 0.00 H new ATOM 529 N SER A 35 7.546 -6.015 -0.068 1.00 0.00 N ATOM 530 CA SER A 35 7.925 -5.594 1.270 1.00 0.00 C ATOM 531 C SER A 35 6.675 -5.271 2.091 1.00 0.00 C ATOM 532 O SER A 35 6.762 -5.032 3.294 1.00 0.00 O ATOM 533 CB SER A 35 8.857 -4.381 1.222 1.00 0.00 C ATOM 534 OG SER A 35 10.045 -4.591 1.980 1.00 0.00 O ATOM 0 H SER A 35 7.767 -5.345 -0.805 1.00 0.00 H new ATOM 0 HA SER A 35 8.463 -6.413 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.121 -4.167 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.333 -3.505 1.605 1.00 0.00 H new ATOM 0 HG SER A 35 10.614 -3.795 1.923 1.00 0.00 H new ATOM 540 N TRP A 36 5.540 -5.273 1.407 1.00 0.00 N ATOM 541 CA TRP A 36 4.273 -4.984 2.058 1.00 0.00 C ATOM 542 C TRP A 36 3.152 -5.259 1.054 1.00 0.00 C ATOM 543 O TRP A 36 2.446 -4.342 0.639 1.00 0.00 O ATOM 544 CB TRP A 36 4.251 -3.553 2.601 1.00 0.00 C ATOM 545 CG TRP A 36 4.029 -2.484 1.530 1.00 0.00 C ATOM 546 CD1 TRP A 36 4.910 -2.021 0.632 1.00 0.00 C ATOM 547 CD2 TRP A 36 2.807 -1.759 1.279 1.00 0.00 C ATOM 548 NE1 TRP A 36 4.347 -1.054 -0.176 1.00 0.00 N ATOM 549 CE2 TRP A 36 3.028 -0.889 0.230 1.00 0.00 C ATOM 550 CE3 TRP A 36 1.557 -1.835 1.916 1.00 0.00 C ATOM 551 CZ2 TRP A 36 2.044 -0.030 -0.274 1.00 0.00 C ATOM 552 CZ3 TRP A 36 0.584 -0.970 1.402 1.00 0.00 C ATOM 553 CH2 TRP A 36 0.790 -0.089 0.347 1.00 0.00 C ATOM 0 H TRP A 36 5.471 -5.470 0.409 1.00 0.00 H new ATOM 0 HA TRP A 36 4.129 -5.628 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.463 -3.472 3.350 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.195 -3.354 3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.932 -2.362 0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.813 -0.553 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.362 -2.508 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.241 0.641 -1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.395 -0.988 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.014 0.548 0.007 1.00 0.00 H new ATOM 564 N PHE A 37 3.024 -6.527 0.692 1.00 0.00 N ATOM 565 CA PHE A 37 2.000 -6.936 -0.255 1.00 0.00 C ATOM 566 C PHE A 37 2.082 -8.437 -0.538 1.00 0.00 C ATOM 567 O PHE A 37 1.277 -9.214 -0.027 1.00 0.00 O ATOM 568 CB PHE A 37 2.261 -6.169 -1.553 1.00 0.00 C ATOM 569 CG PHE A 37 1.392 -6.621 -2.728 1.00 0.00 C ATOM 570 CD1 PHE A 37 0.134 -6.126 -2.874 1.00 0.00 C ATOM 571 CD2 PHE A 37 1.878 -7.519 -3.627 1.00 0.00 C ATOM 572 CE1 PHE A 37 -0.672 -6.546 -3.965 1.00 0.00 C ATOM 573 CE2 PHE A 37 1.071 -7.939 -4.717 1.00 0.00 C ATOM 574 CZ PHE A 37 -0.187 -7.444 -4.863 1.00 0.00 C ATOM 0 H PHE A 37 3.613 -7.285 1.037 1.00 0.00 H new ATOM 0 HA PHE A 37 1.011 -6.724 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.091 -5.107 -1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.310 -6.283 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.252 -5.413 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.877 -7.912 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.671 -6.152 -4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.457 -8.652 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.801 -7.764 -5.692 1.00 0.00 H new ATOM 584 N MET A 38 3.063 -8.800 -1.352 1.00 0.00 N ATOM 585 CA MET A 38 3.261 -10.194 -1.709 1.00 0.00 C ATOM 586 C MET A 38 4.411 -10.347 -2.707 1.00 0.00 C ATOM 587 O MET A 38 4.700 -9.428 -3.472 1.00 0.00 O ATOM 588 CB MET A 38 1.975 -10.752 -2.323 1.00 0.00 C ATOM 589 CG MET A 38 1.251 -11.672 -1.338 1.00 0.00 C ATOM 590 SD MET A 38 -0.435 -11.130 -1.122 1.00 0.00 S ATOM 591 CE MET A 38 -0.915 -10.921 -2.829 1.00 0.00 C ATOM 0 H MET A 38 3.729 -8.153 -1.774 1.00 0.00 H new ATOM 0 HA MET A 38 3.513 -10.748 -0.805 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.318 -9.930 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.212 -11.302 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.267 -12.698 -1.707 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.768 -11.670 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.972 -11.162 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.744 -9.888 -3.131 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.322 -11.585 -3.458 1.00 0.00 H new ATOM 601 N PRO A 39 5.053 -11.545 -2.665 1.00 0.00 N ATOM 602 CA PRO A 39 6.165 -11.830 -3.556 1.00 0.00 C ATOM 603 C PRO A 39 5.672 -12.104 -4.978 1.00 0.00 C ATOM 604 O PRO A 39 4.782 -12.928 -5.182 1.00 0.00 O ATOM 605 CB PRO A 39 6.873 -13.022 -2.933 1.00 0.00 C ATOM 606 CG PRO A 39 5.871 -13.649 -1.977 1.00 0.00 C ATOM 607 CD PRO A 39 4.738 -12.657 -1.772 1.00 0.00 C ATOM 0 HA PRO A 39 6.848 -10.987 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.183 -13.735 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.774 -12.709 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.489 -14.585 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.348 -13.886 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.773 -13.101 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.682 -12.328 -0.734 1.00 0.00 H new ATOM 615 N ASN A 40 6.272 -11.398 -5.925 1.00 0.00 N ATOM 616 CA ASN A 40 5.905 -11.555 -7.322 1.00 0.00 C ATOM 617 C ASN A 40 6.869 -10.745 -8.192 1.00 0.00 C ATOM 618 O ASN A 40 7.766 -10.079 -7.677 1.00 0.00 O ATOM 619 CB ASN A 40 4.488 -11.039 -7.581 1.00 0.00 C ATOM 620 CG ASN A 40 4.402 -9.530 -7.346 1.00 0.00 C ATOM 621 OD1 ASN A 40 4.751 -9.152 -6.119 1.00 0.00 O flip ATOM 622 ND2 ASN A 40 4.044 -8.759 -8.221 1.00 0.00 N flip ATOM 0 H ASN A 40 7.010 -10.716 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 40 5.952 -12.616 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.195 -11.268 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.785 -11.553 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.790 -9.116 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.999 -7.758 -8.031 1.00 0.00 H new ATOM 629 N ASP A 41 6.651 -10.828 -9.496 1.00 0.00 N ATOM 630 CA ASP A 41 7.489 -10.112 -10.442 1.00 0.00 C ATOM 631 C ASP A 41 6.741 -8.875 -10.944 1.00 0.00 C ATOM 632 O ASP A 41 6.202 -8.877 -12.049 1.00 0.00 O ATOM 633 CB ASP A 41 7.824 -10.985 -11.653 1.00 0.00 C ATOM 634 CG ASP A 41 9.148 -11.745 -11.555 1.00 0.00 C ATOM 635 OD1 ASP A 41 9.139 -12.822 -10.922 1.00 0.00 O ATOM 636 OD2 ASP A 41 10.140 -11.231 -12.117 1.00 0.00 O ATOM 0 H ASP A 41 5.906 -11.381 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 41 8.411 -9.834 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.019 -11.705 -11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.849 -10.354 -12.541 1.00 0.00 H new ATOM 641 N PHE A 42 6.733 -7.847 -10.107 1.00 0.00 N ATOM 642 CA PHE A 42 6.060 -6.607 -10.452 1.00 0.00 C ATOM 643 C PHE A 42 6.628 -6.016 -11.745 1.00 0.00 C ATOM 644 O PHE A 42 7.780 -6.268 -12.093 1.00 0.00 O ATOM 645 CB PHE A 42 6.312 -5.627 -9.304 1.00 0.00 C ATOM 646 CG PHE A 42 5.588 -4.288 -9.458 1.00 0.00 C ATOM 647 CD1 PHE A 42 4.233 -4.232 -9.355 1.00 0.00 C ATOM 648 CD2 PHE A 42 6.299 -3.154 -9.699 1.00 0.00 C ATOM 649 CE1 PHE A 42 3.561 -2.990 -9.498 1.00 0.00 C ATOM 650 CE2 PHE A 42 5.626 -1.912 -9.842 1.00 0.00 C ATOM 651 CZ PHE A 42 4.271 -1.856 -9.738 1.00 0.00 C ATOM 0 H PHE A 42 7.182 -7.848 -9.191 1.00 0.00 H new ATOM 0 HA PHE A 42 4.996 -6.791 -10.604 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.000 -6.091 -8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.383 -5.442 -9.226 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.668 -5.133 -9.164 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.375 -3.198 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.485 -2.946 -9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.190 -1.011 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.759 -0.911 -9.846 1.00 0.00 H new ATOM 661 N VAL A 43 5.792 -5.242 -12.421 1.00 0.00 N ATOM 662 CA VAL A 43 6.196 -4.614 -13.667 1.00 0.00 C ATOM 663 C VAL A 43 5.500 -3.257 -13.799 1.00 0.00 C ATOM 664 O VAL A 43 4.301 -3.144 -13.550 1.00 0.00 O ATOM 665 CB VAL A 43 5.907 -5.550 -14.843 1.00 0.00 C ATOM 666 CG1 VAL A 43 4.659 -6.394 -14.577 1.00 0.00 C ATOM 667 CG2 VAL A 43 5.771 -4.764 -16.148 1.00 0.00 C ATOM 0 H VAL A 43 4.837 -5.036 -12.129 1.00 0.00 H new ATOM 0 HA VAL A 43 7.270 -4.431 -13.671 1.00 0.00 H new ATOM 0 HB VAL A 43 6.754 -6.229 -14.948 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.476 -7.050 -15.428 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.811 -6.995 -13.681 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.800 -5.738 -14.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.566 -5.453 -16.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.951 -4.051 -16.059 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.699 -4.228 -16.348 1.00 0.00 H new ATOM 677 N LEU A 44 6.282 -2.262 -14.189 1.00 0.00 N ATOM 678 CA LEU A 44 5.756 -0.918 -14.357 1.00 0.00 C ATOM 679 C LEU A 44 5.421 -0.686 -15.832 1.00 0.00 C ATOM 680 O LEU A 44 6.101 0.078 -16.514 1.00 0.00 O ATOM 681 CB LEU A 44 6.727 0.113 -13.778 1.00 0.00 C ATOM 682 CG LEU A 44 6.104 1.426 -13.300 1.00 0.00 C ATOM 683 CD1 LEU A 44 5.035 1.171 -12.237 1.00 0.00 C ATOM 684 CD2 LEU A 44 7.180 2.397 -12.810 1.00 0.00 C ATOM 0 H LEU A 44 7.276 -2.359 -14.394 1.00 0.00 H new ATOM 0 HA LEU A 44 4.829 -0.799 -13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.253 -0.343 -12.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.476 0.344 -14.536 1.00 0.00 H new ATOM 0 HG LEU A 44 5.608 1.897 -14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.609 2.121 -11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.248 0.543 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.485 0.667 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.710 3.322 -12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.726 1.947 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.872 2.615 -13.624 1.00 0.00 H new ATOM 696 N GLU A 45 4.372 -1.361 -16.280 1.00 0.00 N ATOM 697 CA GLU A 45 3.938 -1.238 -17.661 1.00 0.00 C ATOM 698 C GLU A 45 2.412 -1.164 -17.733 1.00 0.00 C ATOM 699 O GLU A 45 1.718 -1.852 -16.986 1.00 0.00 O ATOM 700 CB GLU A 45 4.472 -2.394 -18.509 1.00 0.00 C ATOM 701 CG GLU A 45 5.894 -2.107 -18.994 1.00 0.00 C ATOM 702 CD GLU A 45 5.925 -1.900 -20.510 1.00 0.00 C ATOM 703 OE1 GLU A 45 5.205 -2.654 -21.200 1.00 0.00 O ATOM 704 OE2 GLU A 45 6.667 -0.993 -20.945 1.00 0.00 O ATOM 0 H GLU A 45 3.810 -1.994 -15.711 1.00 0.00 H new ATOM 0 HA GLU A 45 4.347 -0.313 -18.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.462 -3.314 -17.924 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.817 -2.554 -19.366 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.280 -1.219 -18.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.549 -2.935 -18.723 1.00 0.00 H new ATOM 711 N VAL A 46 1.934 -0.325 -18.640 1.00 0.00 N ATOM 712 CA VAL A 46 0.502 -0.153 -18.820 1.00 0.00 C ATOM 713 C VAL A 46 -0.087 -1.425 -19.432 1.00 0.00 C ATOM 714 O VAL A 46 0.463 -1.971 -20.387 1.00 0.00 O ATOM 715 CB VAL A 46 0.227 1.097 -19.658 1.00 0.00 C ATOM 716 CG1 VAL A 46 -1.218 1.112 -20.163 1.00 0.00 C ATOM 717 CG2 VAL A 46 0.544 2.368 -18.868 1.00 0.00 C ATOM 0 H VAL A 46 2.513 0.243 -19.258 1.00 0.00 H new ATOM 0 HA VAL A 46 0.012 0.002 -17.859 1.00 0.00 H new ATOM 0 HB VAL A 46 0.886 1.069 -20.526 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.387 2.011 -20.756 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.397 0.232 -20.780 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.901 1.104 -19.313 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.340 3.242 -19.487 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.077 2.404 -17.973 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.595 2.365 -18.580 1.00 0.00 H new ATOM 727 N GLY A 47 -1.198 -1.860 -18.857 1.00 0.00 N ATOM 728 CA GLY A 47 -1.868 -3.058 -19.334 1.00 0.00 C ATOM 729 C GLY A 47 -0.938 -4.271 -19.266 1.00 0.00 C ATOM 730 O GLY A 47 -1.124 -5.242 -19.998 1.00 0.00 O ATOM 0 H GLY A 47 -1.651 -1.404 -18.065 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.759 -3.244 -18.734 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.201 -2.908 -20.361 1.00 0.00 H new ATOM 734 N HIS A 48 0.044 -4.174 -18.382 1.00 0.00 N ATOM 735 CA HIS A 48 1.004 -5.251 -18.210 1.00 0.00 C ATOM 736 C HIS A 48 0.545 -6.172 -17.078 1.00 0.00 C ATOM 737 O HIS A 48 0.500 -5.762 -15.919 1.00 0.00 O ATOM 738 CB HIS A 48 2.411 -4.694 -17.987 1.00 0.00 C ATOM 739 CG HIS A 48 3.496 -5.455 -18.712 1.00 0.00 C ATOM 740 ND1 HIS A 48 4.007 -5.051 -19.933 1.00 0.00 N ATOM 741 CD2 HIS A 48 4.160 -6.597 -18.375 1.00 0.00 C ATOM 742 CE1 HIS A 48 4.936 -5.919 -20.305 1.00 0.00 C ATOM 743 NE2 HIS A 48 5.029 -6.877 -19.339 1.00 0.00 N ATOM 0 H HIS A 48 0.196 -3.367 -17.777 1.00 0.00 H new ATOM 0 HA HIS A 48 1.053 -5.848 -19.121 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.434 -3.653 -18.310 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.628 -4.701 -16.919 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.005 -7.176 -17.476 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.518 -5.876 -21.214 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.662 -7.677 -19.354 1.00 0.00 H new ATOM 751 N GLU A 49 0.215 -7.399 -17.453 1.00 0.00 N ATOM 752 CA GLU A 49 -0.240 -8.382 -16.484 1.00 0.00 C ATOM 753 C GLU A 49 0.902 -9.330 -16.114 1.00 0.00 C ATOM 754 O GLU A 49 1.732 -9.666 -16.957 1.00 0.00 O ATOM 755 CB GLU A 49 -1.447 -9.157 -17.014 1.00 0.00 C ATOM 756 CG GLU A 49 -1.101 -9.890 -18.312 1.00 0.00 C ATOM 757 CD GLU A 49 -1.733 -11.283 -18.341 1.00 0.00 C ATOM 758 OE1 GLU A 49 -1.407 -12.073 -17.428 1.00 0.00 O ATOM 759 OE2 GLU A 49 -2.528 -11.527 -19.274 1.00 0.00 O ATOM 0 H GLU A 49 0.254 -7.735 -18.415 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.556 -7.856 -15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.780 -9.875 -16.265 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.276 -8.471 -17.189 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.452 -9.310 -19.166 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.019 -9.976 -18.408 1.00 0.00 H new ATOM 766 N PHE A 50 0.908 -9.735 -14.853 1.00 0.00 N ATOM 767 CA PHE A 50 1.934 -10.639 -14.361 1.00 0.00 C ATOM 768 C PHE A 50 1.344 -11.663 -13.390 1.00 0.00 C ATOM 769 O PHE A 50 0.129 -11.721 -13.206 1.00 0.00 O ATOM 770 CB PHE A 50 2.964 -9.785 -13.619 1.00 0.00 C ATOM 771 CG PHE A 50 2.367 -8.567 -12.910 1.00 0.00 C ATOM 772 CD1 PHE A 50 1.846 -7.544 -13.639 1.00 0.00 C ATOM 773 CD2 PHE A 50 2.358 -8.508 -11.552 1.00 0.00 C ATOM 774 CE1 PHE A 50 1.293 -6.413 -12.981 1.00 0.00 C ATOM 775 CE2 PHE A 50 1.805 -7.378 -10.894 1.00 0.00 C ATOM 776 CZ PHE A 50 1.284 -6.354 -11.623 1.00 0.00 C ATOM 0 H PHE A 50 0.218 -9.454 -14.156 1.00 0.00 H new ATOM 0 HA PHE A 50 2.380 -11.183 -15.193 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.474 -10.407 -12.884 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.719 -9.446 -14.329 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.853 -7.591 -14.718 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.772 -9.321 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.880 -5.600 -13.560 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.798 -7.331 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.863 -5.494 -11.123 1.00 0.00 H new ATOM 786 N HIS A 51 2.231 -12.446 -12.794 1.00 0.00 N ATOM 787 CA HIS A 51 1.813 -13.465 -11.846 1.00 0.00 C ATOM 788 C HIS A 51 2.153 -13.014 -10.425 1.00 0.00 C ATOM 789 O HIS A 51 3.170 -12.359 -10.204 1.00 0.00 O ATOM 790 CB HIS A 51 2.427 -14.821 -12.201 1.00 0.00 C ATOM 791 CG HIS A 51 1.412 -15.921 -12.401 1.00 0.00 C ATOM 792 ND1 HIS A 51 1.578 -16.934 -13.329 1.00 0.00 N ATOM 793 CD2 HIS A 51 0.219 -16.156 -11.783 1.00 0.00 C ATOM 794 CE1 HIS A 51 0.526 -17.737 -13.264 1.00 0.00 C ATOM 795 NE2 HIS A 51 -0.315 -17.253 -12.306 1.00 0.00 N ATOM 0 H HIS A 51 3.238 -12.395 -12.949 1.00 0.00 H new ATOM 0 HA HIS A 51 0.732 -13.596 -11.899 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.016 -14.714 -13.112 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.115 -15.115 -11.409 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.217 -15.552 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.363 -18.620 -13.864 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.208 -17.666 -12.036 1.00 0.00 H new ATOM 803 N VAL A 52 1.282 -13.383 -9.497 1.00 0.00 N ATOM 804 CA VAL A 52 1.477 -13.024 -8.103 1.00 0.00 C ATOM 805 C VAL A 52 1.018 -14.182 -7.214 1.00 0.00 C ATOM 806 O VAL A 52 0.150 -14.962 -7.604 1.00 0.00 O ATOM 807 CB VAL A 52 0.755 -11.711 -7.794 1.00 0.00 C ATOM 808 CG1 VAL A 52 1.005 -11.274 -6.349 1.00 0.00 C ATOM 809 CG2 VAL A 52 1.167 -10.614 -8.778 1.00 0.00 C ATOM 0 H VAL A 52 0.440 -13.927 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 52 2.534 -12.854 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.315 -11.882 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.481 -10.338 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.639 -12.042 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.074 -11.130 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.639 -9.691 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.242 -10.447 -8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.914 -10.921 -9.793 1.00 0.00 H new ATOM 819 N GLN A 53 1.620 -14.256 -6.036 1.00 0.00 N ATOM 820 CA GLN A 53 1.284 -15.306 -5.089 1.00 0.00 C ATOM 821 C GLN A 53 0.338 -14.767 -4.013 1.00 0.00 C ATOM 822 O GLN A 53 0.516 -13.651 -3.527 1.00 0.00 O ATOM 823 CB GLN A 53 2.545 -15.902 -4.461 1.00 0.00 C ATOM 824 CG GLN A 53 3.187 -14.919 -3.480 1.00 0.00 C ATOM 825 CD GLN A 53 3.321 -15.542 -2.089 1.00 0.00 C ATOM 826 OE1 GLN A 53 4.246 -16.282 -1.798 1.00 0.00 O ATOM 827 NE2 GLN A 53 2.348 -15.202 -1.248 1.00 0.00 N ATOM 0 H GLN A 53 2.338 -13.606 -5.716 1.00 0.00 H new ATOM 0 HA GLN A 53 0.774 -16.105 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.295 -16.827 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.259 -16.158 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.170 -14.624 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.584 -14.013 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.603 -14.578 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.347 -15.566 -0.295 1.00 0.00 H new ATOM 836 N SER A 54 -0.647 -15.585 -3.673 1.00 0.00 N ATOM 837 CA SER A 54 -1.621 -15.205 -2.664 1.00 0.00 C ATOM 838 C SER A 54 -1.801 -16.341 -1.656 1.00 0.00 C ATOM 839 O SER A 54 -1.444 -17.485 -1.934 1.00 0.00 O ATOM 840 CB SER A 54 -2.964 -14.844 -3.303 1.00 0.00 C ATOM 841 OG SER A 54 -3.479 -13.613 -2.802 1.00 0.00 O ATOM 0 H SER A 54 -0.792 -16.510 -4.078 1.00 0.00 H new ATOM 0 HA SER A 54 -1.248 -14.323 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.844 -14.774 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.682 -15.642 -3.113 1.00 0.00 H new ATOM 0 HG SER A 54 -4.336 -13.416 -3.235 1.00 0.00 H new ATOM 847 N PRO A 55 -2.370 -15.978 -0.475 1.00 0.00 N ATOM 848 CA PRO A 55 -2.602 -16.954 0.576 1.00 0.00 C ATOM 849 C PRO A 55 -3.795 -17.851 0.237 1.00 0.00 C ATOM 850 O PRO A 55 -4.074 -18.813 0.950 1.00 0.00 O ATOM 851 CB PRO A 55 -2.816 -16.132 1.836 1.00 0.00 C ATOM 852 CG PRO A 55 -3.157 -14.727 1.365 1.00 0.00 C ATOM 853 CD PRO A 55 -2.806 -14.633 -0.111 1.00 0.00 C ATOM 0 HA PRO A 55 -1.766 -17.642 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.622 -16.547 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.920 -16.129 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.216 -14.519 1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.599 -13.986 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.666 -14.322 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.018 -13.901 -0.285 1.00 0.00 H new ATOM 861 N PHE A 56 -4.466 -17.503 -0.851 1.00 0.00 N ATOM 862 CA PHE A 56 -5.622 -18.264 -1.292 1.00 0.00 C ATOM 863 C PHE A 56 -5.527 -18.590 -2.784 1.00 0.00 C ATOM 864 O PHE A 56 -6.447 -18.297 -3.547 1.00 0.00 O ATOM 865 CB PHE A 56 -6.853 -17.389 -1.051 1.00 0.00 C ATOM 866 CG PHE A 56 -8.106 -18.172 -0.654 1.00 0.00 C ATOM 867 CD1 PHE A 56 -8.231 -18.661 0.609 1.00 0.00 C ATOM 868 CD2 PHE A 56 -9.095 -18.380 -1.564 1.00 0.00 C ATOM 869 CE1 PHE A 56 -9.393 -19.388 0.978 1.00 0.00 C ATOM 870 CE2 PHE A 56 -10.258 -19.107 -1.195 1.00 0.00 C ATOM 871 CZ PHE A 56 -10.382 -19.596 0.068 1.00 0.00 C ATOM 0 H PHE A 56 -4.231 -16.704 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.679 -19.205 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.625 -16.667 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.064 -16.820 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.446 -18.496 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.996 -17.992 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.492 -19.776 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.044 -19.271 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.266 -20.150 0.348 1.00 0.00 H new ATOM 881 N GLY A 57 -4.406 -19.191 -3.156 1.00 0.00 N ATOM 882 CA GLY A 57 -4.179 -19.559 -4.543 1.00 0.00 C ATOM 883 C GLY A 57 -3.509 -18.418 -5.311 1.00 0.00 C ATOM 884 O GLY A 57 -3.274 -17.346 -4.756 1.00 0.00 O ATOM 0 H GLY A 57 -3.645 -19.432 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.553 -20.450 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.128 -19.812 -5.016 1.00 0.00 H new ATOM 888 N PRO A 58 -3.214 -18.694 -6.609 1.00 0.00 N ATOM 889 CA PRO A 58 -2.575 -17.703 -7.459 1.00 0.00 C ATOM 890 C PRO A 58 -3.570 -16.619 -7.880 1.00 0.00 C ATOM 891 O PRO A 58 -4.659 -16.925 -8.364 1.00 0.00 O ATOM 892 CB PRO A 58 -2.022 -18.491 -8.635 1.00 0.00 C ATOM 893 CG PRO A 58 -2.768 -19.816 -8.637 1.00 0.00 C ATOM 894 CD PRO A 58 -3.478 -19.953 -7.300 1.00 0.00 C ATOM 0 HA PRO A 58 -1.778 -17.162 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.176 -17.955 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.948 -18.647 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.487 -19.848 -9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.075 -20.644 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.548 -20.114 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.096 -20.803 -6.734 1.00 0.00 H new ATOM 902 N SER A 59 -3.160 -15.375 -7.681 1.00 0.00 N ATOM 903 CA SER A 59 -4.002 -14.245 -8.034 1.00 0.00 C ATOM 904 C SER A 59 -3.164 -13.162 -8.717 1.00 0.00 C ATOM 905 O SER A 59 -2.522 -12.354 -8.048 1.00 0.00 O ATOM 906 CB SER A 59 -4.703 -13.673 -6.800 1.00 0.00 C ATOM 907 OG SER A 59 -5.253 -12.383 -7.048 1.00 0.00 O ATOM 0 H SER A 59 -2.256 -15.125 -7.280 1.00 0.00 H new ATOM 0 HA SER A 59 -4.769 -14.593 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.497 -14.351 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.993 -13.612 -5.976 1.00 0.00 H new ATOM 0 HG SER A 59 -5.986 -12.459 -7.694 1.00 0.00 H new ATOM 913 N PRO A 60 -3.199 -13.181 -10.077 1.00 0.00 N ATOM 914 CA PRO A 60 -2.451 -12.211 -10.858 1.00 0.00 C ATOM 915 C PRO A 60 -3.129 -10.840 -10.826 1.00 0.00 C ATOM 916 O PRO A 60 -4.139 -10.660 -10.147 1.00 0.00 O ATOM 917 CB PRO A 60 -2.377 -12.805 -12.255 1.00 0.00 C ATOM 918 CG PRO A 60 -3.476 -13.853 -12.322 1.00 0.00 C ATOM 919 CD PRO A 60 -3.948 -14.123 -10.903 1.00 0.00 C ATOM 0 HA PRO A 60 -1.451 -12.033 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.523 -12.037 -13.014 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.400 -13.252 -12.438 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.303 -13.501 -12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.103 -14.769 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.022 -13.967 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.748 -15.153 -10.609 1.00 0.00 H new ATOM 927 N CYS A 61 -2.547 -9.910 -11.568 1.00 0.00 N ATOM 928 CA CYS A 61 -3.083 -8.561 -11.633 1.00 0.00 C ATOM 929 C CYS A 61 -2.532 -7.885 -12.890 1.00 0.00 C ATOM 930 O CYS A 61 -1.518 -8.315 -13.437 1.00 0.00 O ATOM 931 CB CYS A 61 -2.760 -7.763 -10.368 1.00 0.00 C ATOM 932 SG CYS A 61 -0.968 -7.854 -10.010 1.00 0.00 S ATOM 0 H CYS A 61 -1.709 -10.064 -12.129 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.171 -8.601 -11.691 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.061 -6.723 -10.497 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.328 -8.157 -9.525 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.296 -7.516 -11.070 1.00 0.00 H new ATOM 938 N LYS A 62 -3.226 -6.838 -13.312 1.00 0.00 N ATOM 939 CA LYS A 62 -2.819 -6.099 -14.495 1.00 0.00 C ATOM 940 C LYS A 62 -2.929 -4.598 -14.216 1.00 0.00 C ATOM 941 O LYS A 62 -3.988 -4.112 -13.821 1.00 0.00 O ATOM 942 CB LYS A 62 -3.619 -6.557 -15.715 1.00 0.00 C ATOM 943 CG LYS A 62 -3.166 -5.820 -16.977 1.00 0.00 C ATOM 944 CD LYS A 62 -4.362 -5.460 -17.861 1.00 0.00 C ATOM 945 CE LYS A 62 -4.848 -6.678 -18.649 1.00 0.00 C ATOM 946 NZ LYS A 62 -4.113 -6.796 -19.928 1.00 0.00 N ATOM 0 H LYS A 62 -4.067 -6.484 -12.856 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.775 -6.305 -14.732 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.495 -7.631 -15.853 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.681 -6.377 -15.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.628 -4.913 -16.700 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.470 -6.445 -17.537 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.173 -5.075 -17.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.082 -4.664 -18.551 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.706 -7.582 -18.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.917 -6.589 -18.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.915 -7.798 -20.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.690 -6.401 -20.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.217 -6.272 -19.863 1.00 0.00 H new ATOM 960 N VAL A 63 -1.820 -3.906 -14.432 1.00 0.00 N ATOM 961 CA VAL A 63 -1.778 -2.471 -14.209 1.00 0.00 C ATOM 962 C VAL A 63 -2.780 -1.785 -15.140 1.00 0.00 C ATOM 963 O VAL A 63 -2.901 -2.154 -16.307 1.00 0.00 O ATOM 964 CB VAL A 63 -0.348 -1.955 -14.385 1.00 0.00 C ATOM 965 CG1 VAL A 63 -0.258 -0.465 -14.050 1.00 0.00 C ATOM 966 CG2 VAL A 63 0.635 -2.767 -13.540 1.00 0.00 C ATOM 0 H VAL A 63 -0.944 -4.313 -14.759 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.070 -2.235 -13.186 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.073 -2.080 -15.432 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.769 -0.123 -14.183 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.916 0.097 -14.712 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.562 -0.306 -13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.644 -2.380 -13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.362 -2.688 -12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.601 -3.813 -13.846 1.00 0.00 H new ATOM 976 N LEU A 64 -3.472 -0.799 -14.589 1.00 0.00 N ATOM 977 CA LEU A 64 -4.460 -0.058 -15.355 1.00 0.00 C ATOM 978 C LEU A 64 -3.845 1.260 -15.832 1.00 0.00 C ATOM 979 O LEU A 64 -3.822 1.540 -17.029 1.00 0.00 O ATOM 980 CB LEU A 64 -5.744 0.120 -14.544 1.00 0.00 C ATOM 981 CG LEU A 64 -6.419 -1.166 -14.064 1.00 0.00 C ATOM 982 CD1 LEU A 64 -7.579 -0.857 -13.115 1.00 0.00 C ATOM 983 CD2 LEU A 64 -6.862 -2.027 -15.249 1.00 0.00 C ATOM 0 H LEU A 64 -3.368 -0.496 -13.621 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.749 -0.616 -16.245 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.517 0.735 -13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.458 0.677 -15.150 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.688 -1.745 -13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.041 -1.789 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.204 -0.315 -12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.319 -0.247 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.339 -2.935 -14.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.570 -1.468 -15.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.993 -2.292 -15.851 1.00 0.00 H new ATOM 995 N GLU A 65 -3.363 2.033 -14.870 1.00 0.00 N ATOM 996 CA GLU A 65 -2.750 3.314 -15.177 1.00 0.00 C ATOM 997 C GLU A 65 -1.392 3.433 -14.482 1.00 0.00 C ATOM 998 O GLU A 65 -1.182 2.850 -13.419 1.00 0.00 O ATOM 999 CB GLU A 65 -3.671 4.471 -14.782 1.00 0.00 C ATOM 1000 CG GLU A 65 -3.629 5.586 -15.829 1.00 0.00 C ATOM 1001 CD GLU A 65 -3.997 5.052 -17.215 1.00 0.00 C ATOM 1002 OE1 GLU A 65 -5.214 4.986 -17.492 1.00 0.00 O ATOM 1003 OE2 GLU A 65 -3.053 4.723 -17.965 1.00 0.00 O ATOM 0 H GLU A 65 -3.385 1.797 -13.878 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.591 3.370 -16.254 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.693 4.107 -14.674 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.369 4.866 -13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.319 6.381 -15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.632 6.025 -15.858 1.00 0.00 H new ATOM 1010 N ILE A 66 -0.506 4.191 -15.110 1.00 0.00 N ATOM 1011 CA ILE A 66 0.826 4.394 -14.565 1.00 0.00 C ATOM 1012 C ILE A 66 1.144 5.890 -14.550 1.00 0.00 C ATOM 1013 O ILE A 66 1.092 6.550 -15.586 1.00 0.00 O ATOM 1014 CB ILE A 66 1.851 3.555 -15.331 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.560 2.061 -15.180 1.00 0.00 C ATOM 1016 CG2 ILE A 66 3.277 3.908 -14.903 1.00 0.00 C ATOM 1017 CD1 ILE A 66 2.627 1.221 -15.885 1.00 0.00 C ATOM 0 H ILE A 66 -0.684 4.672 -15.991 1.00 0.00 H new ATOM 0 HA ILE A 66 0.872 4.048 -13.532 1.00 0.00 H new ATOM 0 HB ILE A 66 1.764 3.793 -16.391 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.525 1.799 -14.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.579 1.834 -15.597 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.986 3.298 -15.462 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.467 4.962 -15.105 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.395 3.716 -13.837 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.397 0.163 -15.762 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.642 1.468 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.603 1.433 -15.449 1.00 0.00 H new ATOM 1029 N ASP A 67 1.465 6.382 -13.362 1.00 0.00 N ATOM 1030 CA ASP A 67 1.791 7.789 -13.198 1.00 0.00 C ATOM 1031 C ASP A 67 2.686 7.960 -11.969 1.00 0.00 C ATOM 1032 O ASP A 67 2.220 8.375 -10.909 1.00 0.00 O ATOM 1033 CB ASP A 67 0.528 8.625 -12.982 1.00 0.00 C ATOM 1034 CG ASP A 67 -0.004 9.327 -14.233 1.00 0.00 C ATOM 1035 OD1 ASP A 67 0.802 10.035 -14.873 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -1.206 9.139 -14.521 1.00 0.00 O ATOM 0 H ASP A 67 1.506 5.832 -12.504 1.00 0.00 H new ATOM 0 HA ASP A 67 2.297 8.126 -14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.255 7.978 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.734 9.378 -12.221 1.00 0.00 H new ATOM 1041 N GLU A 68 3.957 7.631 -12.153 1.00 0.00 N ATOM 1042 CA GLU A 68 4.922 7.744 -11.072 1.00 0.00 C ATOM 1043 C GLU A 68 4.749 9.077 -10.342 1.00 0.00 C ATOM 1044 O GLU A 68 4.624 9.108 -9.119 1.00 0.00 O ATOM 1045 CB GLU A 68 6.351 7.587 -11.596 1.00 0.00 C ATOM 1046 CG GLU A 68 7.295 8.585 -10.922 1.00 0.00 C ATOM 1047 CD GLU A 68 8.748 8.322 -11.322 1.00 0.00 C ATOM 1048 OE1 GLU A 68 8.940 7.728 -12.405 1.00 0.00 O ATOM 1049 OE2 GLU A 68 9.634 8.721 -10.536 1.00 0.00 O ATOM 0 H GLU A 68 4.340 7.287 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 68 4.739 6.938 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.700 6.571 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.365 7.739 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.015 9.601 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.193 8.513 -9.839 1.00 0.00 H new ATOM 1056 N PRO A 69 4.748 10.176 -11.144 1.00 0.00 N ATOM 1057 CA PRO A 69 4.592 11.509 -10.587 1.00 0.00 C ATOM 1058 C PRO A 69 3.141 11.765 -10.176 1.00 0.00 C ATOM 1059 O PRO A 69 2.536 12.749 -10.599 1.00 0.00 O ATOM 1060 CB PRO A 69 5.075 12.450 -11.679 1.00 0.00 C ATOM 1061 CG PRO A 69 5.044 11.644 -12.968 1.00 0.00 C ATOM 1062 CD PRO A 69 4.894 10.178 -12.597 1.00 0.00 C ATOM 0 HA PRO A 69 5.167 11.653 -9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.432 13.327 -11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.082 12.810 -11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.215 11.965 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.959 11.802 -13.539 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.025 9.734 -13.083 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.764 9.600 -12.908 1.00 0.00 H new ATOM 1070 N ASN A 70 2.624 10.862 -9.355 1.00 0.00 N ATOM 1071 CA ASN A 70 1.256 10.978 -8.881 1.00 0.00 C ATOM 1072 C ASN A 70 0.851 9.680 -8.180 1.00 0.00 C ATOM 1073 O ASN A 70 0.739 9.640 -6.956 1.00 0.00 O ATOM 1074 CB ASN A 70 0.288 11.209 -10.043 1.00 0.00 C ATOM 1075 CG ASN A 70 -0.543 12.474 -9.822 1.00 0.00 C ATOM 1076 OD1 ASN A 70 -1.763 12.454 -9.822 1.00 0.00 O ATOM 1077 ND2 ASN A 70 0.183 13.572 -9.634 1.00 0.00 N ATOM 0 H ASN A 70 3.129 10.047 -9.006 1.00 0.00 H new ATOM 0 HA ASN A 70 1.208 11.825 -8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.847 11.295 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.373 10.349 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.279 14.468 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.202 13.518 -9.646 1.00 0.00 H new ATOM 1084 N HIS A 71 0.644 8.649 -8.986 1.00 0.00 N ATOM 1085 CA HIS A 71 0.255 7.352 -8.458 1.00 0.00 C ATOM 1086 C HIS A 71 0.025 6.376 -9.614 1.00 0.00 C ATOM 1087 O HIS A 71 0.318 6.692 -10.766 1.00 0.00 O ATOM 1088 CB HIS A 71 -0.963 7.482 -7.541 1.00 0.00 C ATOM 1089 CG HIS A 71 -2.105 8.264 -8.145 1.00 0.00 C ATOM 1090 ND1 HIS A 71 -2.669 9.367 -7.525 1.00 0.00 N ATOM 1091 CD2 HIS A 71 -2.782 8.093 -9.316 1.00 0.00 C ATOM 1092 CE1 HIS A 71 -3.641 9.829 -8.298 1.00 0.00 C ATOM 1093 NE2 HIS A 71 -3.710 9.038 -9.407 1.00 0.00 N ATOM 0 H HIS A 71 0.738 8.685 -10.001 1.00 0.00 H new ATOM 0 HA HIS A 71 1.059 6.949 -7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.317 6.485 -7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.657 7.964 -6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.595 7.320 -10.046 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.269 10.682 -8.087 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.366 9.153 -10.179 1.00 0.00 H new ATOM 1101 N LEU A 72 -0.496 5.209 -9.265 1.00 0.00 N ATOM 1102 CA LEU A 72 -0.768 4.184 -10.259 1.00 0.00 C ATOM 1103 C LEU A 72 -1.937 3.318 -9.785 1.00 0.00 C ATOM 1104 O LEU A 72 -2.320 3.371 -8.617 1.00 0.00 O ATOM 1105 CB LEU A 72 0.501 3.388 -10.569 1.00 0.00 C ATOM 1106 CG LEU A 72 0.724 2.128 -9.730 1.00 0.00 C ATOM 1107 CD1 LEU A 72 1.645 1.144 -10.454 1.00 0.00 C ATOM 1108 CD2 LEU A 72 1.245 2.482 -8.336 1.00 0.00 C ATOM 0 H LEU A 72 -0.737 4.950 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.069 4.639 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.478 3.101 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.360 4.046 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.237 1.631 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.787 0.257 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.195 0.856 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.610 1.617 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.395 1.568 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.192 3.014 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.520 3.117 -7.827 1.00 0.00 H new ATOM 1120 N SER A 73 -2.471 2.541 -10.715 1.00 0.00 N ATOM 1121 CA SER A 73 -3.589 1.664 -10.407 1.00 0.00 C ATOM 1122 C SER A 73 -3.387 0.304 -11.078 1.00 0.00 C ATOM 1123 O SER A 73 -2.688 0.201 -12.085 1.00 0.00 O ATOM 1124 CB SER A 73 -4.914 2.284 -10.854 1.00 0.00 C ATOM 1125 OG SER A 73 -4.719 3.365 -11.761 1.00 0.00 O ATOM 0 H SER A 73 -2.151 2.500 -11.683 1.00 0.00 H new ATOM 0 HA SER A 73 -3.629 1.527 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.530 1.520 -11.328 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.461 2.638 -9.980 1.00 0.00 H new ATOM 0 HG SER A 73 -5.589 3.732 -12.024 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.011 -0.707 -10.492 1.00 0.00 N ATOM 1132 CA PHE A 74 -3.909 -2.057 -11.020 1.00 0.00 C ATOM 1133 C PHE A 74 -5.124 -2.896 -10.618 1.00 0.00 C ATOM 1134 O PHE A 74 -5.686 -2.705 -9.541 1.00 0.00 O ATOM 1135 CB PHE A 74 -2.650 -2.680 -10.413 1.00 0.00 C ATOM 1136 CG PHE A 74 -2.601 -2.621 -8.885 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -2.096 -1.522 -8.263 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.061 -3.667 -8.149 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -2.050 -1.467 -6.845 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.015 -3.612 -6.731 1.00 0.00 C ATOM 1141 CZ PHE A 74 -2.510 -2.513 -6.109 1.00 0.00 C ATOM 0 H PHE A 74 -4.589 -0.618 -9.656 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.865 -2.029 -12.109 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.584 -3.721 -10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.775 -2.169 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.730 -0.691 -8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.462 -4.540 -8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.649 -0.594 -6.351 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.381 -4.443 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.474 -2.471 -5.030 1.00 0.00 H new ATOM 1151 N SER A 75 -5.492 -3.809 -11.505 1.00 0.00 N ATOM 1152 CA SER A 75 -6.629 -4.678 -11.256 1.00 0.00 C ATOM 1153 C SER A 75 -6.150 -6.021 -10.701 1.00 0.00 C ATOM 1154 O SER A 75 -5.170 -6.584 -11.187 1.00 0.00 O ATOM 1155 CB SER A 75 -7.448 -4.893 -12.531 1.00 0.00 C ATOM 1156 OG SER A 75 -6.690 -5.541 -13.549 1.00 0.00 O ATOM 0 H SER A 75 -5.023 -3.966 -12.397 1.00 0.00 H new ATOM 0 HA SER A 75 -7.272 -4.196 -10.520 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.329 -5.491 -12.299 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.803 -3.931 -12.900 1.00 0.00 H new ATOM 0 HG SER A 75 -5.890 -5.012 -13.748 1.00 0.00 H new ATOM 1162 N TRP A 76 -6.863 -6.496 -9.691 1.00 0.00 N ATOM 1163 CA TRP A 76 -6.523 -7.762 -9.064 1.00 0.00 C ATOM 1164 C TRP A 76 -7.435 -8.841 -9.652 1.00 0.00 C ATOM 1165 O TRP A 76 -8.652 -8.794 -9.473 1.00 0.00 O ATOM 1166 CB TRP A 76 -6.619 -7.663 -7.540 1.00 0.00 C ATOM 1167 CG TRP A 76 -5.362 -8.134 -6.806 1.00 0.00 C ATOM 1168 CD1 TRP A 76 -4.406 -8.960 -7.252 1.00 0.00 C ATOM 1169 CD2 TRP A 76 -4.961 -7.770 -5.468 1.00 0.00 C ATOM 1170 NE1 TRP A 76 -3.423 -9.155 -6.304 1.00 0.00 N ATOM 1171 CE2 TRP A 76 -3.771 -8.408 -5.185 1.00 0.00 C ATOM 1172 CE3 TRP A 76 -5.583 -6.930 -4.528 1.00 0.00 C ATOM 1173 CZ2 TRP A 76 -3.100 -8.273 -3.963 1.00 0.00 C ATOM 1174 CZ3 TRP A 76 -4.901 -6.805 -3.312 1.00 0.00 C ATOM 1175 CH2 TRP A 76 -3.702 -7.441 -3.012 1.00 0.00 C ATOM 0 H TRP A 76 -7.675 -6.027 -9.291 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.487 -8.030 -9.273 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.821 -6.628 -7.265 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.469 -8.255 -7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.405 -9.416 -8.231 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -2.593 -9.740 -6.406 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -6.514 -6.421 -4.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.169 -8.783 -3.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.337 -6.170 -2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -3.237 -7.294 -2.049 1.00 0.00 H new ATOM 1186 N ASP A 77 -6.813 -9.786 -10.340 1.00 0.00 N ATOM 1187 CA ASP A 77 -7.554 -10.874 -10.955 1.00 0.00 C ATOM 1188 C ASP A 77 -7.862 -11.937 -9.898 1.00 0.00 C ATOM 1189 O ASP A 77 -7.366 -11.863 -8.775 1.00 0.00 O ATOM 1190 CB ASP A 77 -6.739 -11.537 -12.067 1.00 0.00 C ATOM 1191 CG ASP A 77 -6.997 -10.990 -13.472 1.00 0.00 C ATOM 1192 OD1 ASP A 77 -6.883 -9.755 -13.631 1.00 0.00 O ATOM 1193 OD2 ASP A 77 -7.304 -11.818 -14.356 1.00 0.00 O ATOM 0 H ASP A 77 -5.804 -9.821 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.470 -10.461 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.680 -11.423 -11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.952 -12.606 -12.065 1.00 0.00 H new ATOM 1198 N THR A 78 -8.680 -12.901 -10.295 1.00 0.00 N ATOM 1199 CA THR A 78 -9.061 -13.977 -9.396 1.00 0.00 C ATOM 1200 C THR A 78 -9.730 -13.412 -8.141 1.00 0.00 C ATOM 1201 O THR A 78 -9.477 -13.883 -7.033 1.00 0.00 O ATOM 1202 CB THR A 78 -7.811 -14.807 -9.096 1.00 0.00 C ATOM 1203 OG1 THR A 78 -7.042 -14.721 -10.293 1.00 0.00 O ATOM 1204 CG2 THR A 78 -8.118 -16.299 -8.957 1.00 0.00 C ATOM 0 H THR A 78 -9.089 -12.959 -11.227 1.00 0.00 H new ATOM 0 HA THR A 78 -9.802 -14.632 -9.855 1.00 0.00 H new ATOM 0 HB THR A 78 -7.347 -14.445 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.510 -15.537 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.197 -16.842 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.825 -16.451 -8.141 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.551 -16.669 -9.886 1.00 0.00 H new ATOM 1212 N ASP A 79 -10.571 -12.411 -8.358 1.00 0.00 N ATOM 1213 CA ASP A 79 -11.278 -11.778 -7.258 1.00 0.00 C ATOM 1214 C ASP A 79 -12.196 -10.685 -7.810 1.00 0.00 C ATOM 1215 O ASP A 79 -13.393 -10.672 -7.525 1.00 0.00 O ATOM 1216 CB ASP A 79 -10.302 -11.124 -6.278 1.00 0.00 C ATOM 1217 CG ASP A 79 -8.840 -11.117 -6.730 1.00 0.00 C ATOM 1218 OD1 ASP A 79 -8.483 -10.183 -7.481 1.00 0.00 O ATOM 1219 OD2 ASP A 79 -8.113 -12.044 -6.315 1.00 0.00 O ATOM 0 H ASP A 79 -10.778 -12.023 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.850 -12.547 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.618 -10.095 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.369 -11.643 -5.322 1.00 0.00 H new ATOM 1224 N GLY A 80 -11.601 -9.795 -8.591 1.00 0.00 N ATOM 1225 CA GLY A 80 -12.350 -8.702 -9.186 1.00 0.00 C ATOM 1226 C GLY A 80 -12.308 -7.459 -8.294 1.00 0.00 C ATOM 1227 O GLY A 80 -13.312 -6.766 -8.141 1.00 0.00 O ATOM 0 H GLY A 80 -10.608 -9.809 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.937 -8.465 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.385 -9.008 -9.342 1.00 0.00 H new ATOM 1231 N TRP A 81 -11.135 -7.216 -7.728 1.00 0.00 N ATOM 1232 CA TRP A 81 -10.948 -6.069 -6.856 1.00 0.00 C ATOM 1233 C TRP A 81 -9.891 -5.161 -7.487 1.00 0.00 C ATOM 1234 O TRP A 81 -9.127 -5.597 -8.347 1.00 0.00 O ATOM 1235 CB TRP A 81 -10.585 -6.513 -5.437 1.00 0.00 C ATOM 1236 CG TRP A 81 -11.600 -7.468 -4.805 1.00 0.00 C ATOM 1237 CD1 TRP A 81 -12.936 -7.375 -4.812 1.00 0.00 C ATOM 1238 CD2 TRP A 81 -11.302 -8.673 -4.069 1.00 0.00 C ATOM 1239 NE1 TRP A 81 -13.520 -8.427 -4.136 1.00 0.00 N ATOM 1240 CE2 TRP A 81 -12.495 -9.242 -3.670 1.00 0.00 C ATOM 1241 CE3 TRP A 81 -10.067 -9.263 -3.750 1.00 0.00 C ATOM 1242 CZ2 TRP A 81 -12.569 -10.428 -2.931 1.00 0.00 C ATOM 1243 CZ3 TRP A 81 -10.158 -10.449 -3.011 1.00 0.00 C ATOM 1244 CH2 TRP A 81 -11.351 -11.034 -2.602 1.00 0.00 C ATOM 0 H TRP A 81 -10.304 -7.794 -7.856 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.876 -5.505 -6.757 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.609 -6.998 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -10.489 -5.630 -4.804 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -13.487 -6.577 -5.287 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.520 -8.579 -4.003 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -9.122 -8.835 -4.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.515 -10.853 -2.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -9.237 -10.944 -2.740 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.338 -11.952 -2.033 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.880 -3.916 -7.035 1.00 0.00 N ATOM 1256 CA VAL A 82 -8.929 -2.943 -7.545 1.00 0.00 C ATOM 1257 C VAL A 82 -8.262 -2.224 -6.371 1.00 0.00 C ATOM 1258 O VAL A 82 -8.928 -1.861 -5.402 1.00 0.00 O ATOM 1259 CB VAL A 82 -9.627 -1.986 -8.514 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -8.862 -0.666 -8.628 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.811 -2.634 -9.887 1.00 0.00 C ATOM 0 H VAL A 82 -10.515 -3.558 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.141 -3.440 -8.112 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.616 -1.766 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.379 -0.004 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.807 -0.192 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.854 -0.860 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.309 -1.933 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.837 -2.898 -10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.418 -3.534 -9.786 1.00 0.00 H new ATOM 1271 N VAL A 83 -6.956 -2.039 -6.496 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.192 -1.369 -5.457 1.00 0.00 C ATOM 1273 C VAL A 83 -5.233 -0.367 -6.101 1.00 0.00 C ATOM 1274 O VAL A 83 -4.528 -0.700 -7.052 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.479 -2.403 -4.583 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.772 -1.731 -3.404 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -6.454 -3.477 -4.098 1.00 0.00 C ATOM 0 H VAL A 83 -6.407 -2.341 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.854 -0.807 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.720 -2.891 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.273 -2.488 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.034 -1.022 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.505 -1.203 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.921 -4.199 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.246 -3.011 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.890 -3.987 -4.957 1.00 0.00 H new ATOM 1287 N SER A 84 -5.238 0.842 -5.557 1.00 0.00 N ATOM 1288 CA SER A 84 -4.377 1.895 -6.067 1.00 0.00 C ATOM 1289 C SER A 84 -3.832 2.733 -4.908 1.00 0.00 C ATOM 1290 O SER A 84 -4.564 3.054 -3.973 1.00 0.00 O ATOM 1291 CB SER A 84 -5.125 2.786 -7.060 1.00 0.00 C ATOM 1292 OG SER A 84 -4.453 4.023 -7.280 1.00 0.00 O ATOM 0 H SER A 84 -5.825 1.115 -4.769 1.00 0.00 H new ATOM 0 HA SER A 84 -3.544 1.430 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.234 2.259 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.130 2.981 -6.686 1.00 0.00 H new ATOM 0 HG SER A 84 -3.738 3.894 -7.938 1.00 0.00 H new ATOM 1298 N PHE A 85 -2.553 3.063 -5.008 1.00 0.00 N ATOM 1299 CA PHE A 85 -1.902 3.857 -3.980 1.00 0.00 C ATOM 1300 C PHE A 85 -1.651 5.285 -4.468 1.00 0.00 C ATOM 1301 O PHE A 85 -0.847 5.503 -5.373 1.00 0.00 O ATOM 1302 CB PHE A 85 -0.559 3.188 -3.681 1.00 0.00 C ATOM 1303 CG PHE A 85 -0.648 1.673 -3.489 1.00 0.00 C ATOM 1304 CD1 PHE A 85 -1.054 1.161 -2.296 1.00 0.00 C ATOM 1305 CD2 PHE A 85 -0.319 0.837 -4.511 1.00 0.00 C ATOM 1306 CE1 PHE A 85 -1.137 -0.245 -2.118 1.00 0.00 C ATOM 1307 CE2 PHE A 85 -0.401 -0.569 -4.332 1.00 0.00 C ATOM 1308 CZ PHE A 85 -0.808 -1.081 -3.140 1.00 0.00 C ATOM 0 H PHE A 85 -1.950 2.795 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.535 3.911 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.131 3.401 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.135 3.634 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.313 1.824 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.004 1.243 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.461 -0.651 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.140 -1.232 -5.143 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.870 -2.151 -3.004 1.00 0.00 H new ATOM 1318 N ASP A 86 -2.353 6.221 -3.846 1.00 0.00 N ATOM 1319 CA ASP A 86 -2.215 7.622 -4.205 1.00 0.00 C ATOM 1320 C ASP A 86 -1.003 8.213 -3.483 1.00 0.00 C ATOM 1321 O ASP A 86 -0.581 7.699 -2.448 1.00 0.00 O ATOM 1322 CB ASP A 86 -3.450 8.422 -3.787 1.00 0.00 C ATOM 1323 CG ASP A 86 -4.678 8.229 -4.679 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -4.747 7.162 -5.327 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.520 9.153 -4.694 1.00 0.00 O ATOM 0 H ASP A 86 -3.019 6.036 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.095 7.682 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.714 8.146 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.191 9.481 -3.775 1.00 0.00 H new ATOM 1330 N LEU A 87 -0.476 9.284 -4.057 1.00 0.00 N ATOM 1331 CA LEU A 87 0.680 9.950 -3.481 1.00 0.00 C ATOM 1332 C LEU A 87 0.548 11.461 -3.687 1.00 0.00 C ATOM 1333 O LEU A 87 0.262 11.918 -4.792 1.00 0.00 O ATOM 1334 CB LEU A 87 1.974 9.363 -4.048 1.00 0.00 C ATOM 1335 CG LEU A 87 2.259 7.902 -3.695 1.00 0.00 C ATOM 1336 CD1 LEU A 87 1.758 6.965 -4.795 1.00 0.00 C ATOM 1337 CD2 LEU A 87 3.745 7.691 -3.394 1.00 0.00 C ATOM 0 H LEU A 87 -0.828 9.708 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 87 0.723 9.777 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.946 9.455 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.809 9.970 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 87 1.708 7.656 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.973 5.933 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.682 7.091 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.261 7.202 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.921 6.644 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.335 7.961 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.038 8.318 -2.552 1.00 0.00 H new ATOM 1349 N LYS A 88 0.762 12.194 -2.604 1.00 0.00 N ATOM 1350 CA LYS A 88 0.671 13.643 -2.652 1.00 0.00 C ATOM 1351 C LYS A 88 1.936 14.250 -2.043 1.00 0.00 C ATOM 1352 O LYS A 88 2.263 13.983 -0.888 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.622 14.121 -1.987 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.723 15.647 -2.017 1.00 0.00 C ATOM 1355 CD LYS A 88 -1.559 16.165 -0.845 1.00 0.00 C ATOM 1356 CE LYS A 88 -3.035 16.277 -1.232 1.00 0.00 C ATOM 1357 NZ LYS A 88 -3.249 17.435 -2.129 1.00 0.00 N ATOM 0 H LYS A 88 0.998 11.811 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 88 0.617 13.987 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.481 13.686 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.655 13.771 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.276 16.082 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.172 15.967 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.453 15.494 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.187 17.140 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.358 15.361 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.645 16.386 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.259 17.684 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.696 18.246 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.943 17.189 -3.092 1.00 0.00 H new ATOM 1371 N ASP A 89 2.614 15.056 -2.848 1.00 0.00 N ATOM 1372 CA ASP A 89 3.836 15.703 -2.403 1.00 0.00 C ATOM 1373 C ASP A 89 3.493 16.771 -1.363 1.00 0.00 C ATOM 1374 O ASP A 89 2.746 17.705 -1.651 1.00 0.00 O ATOM 1375 CB ASP A 89 4.552 16.389 -3.568 1.00 0.00 C ATOM 1376 CG ASP A 89 5.741 17.266 -3.171 1.00 0.00 C ATOM 1377 OD1 ASP A 89 5.488 18.436 -2.810 1.00 0.00 O ATOM 1378 OD2 ASP A 89 6.876 16.746 -3.236 1.00 0.00 O ATOM 0 H ASP A 89 2.340 15.275 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 89 4.488 14.938 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.900 15.624 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.831 17.003 -4.107 1.00 0.00 H new ATOM 1383 N LEU A 90 4.055 16.598 -0.176 1.00 0.00 N ATOM 1384 CA LEU A 90 3.818 17.536 0.908 1.00 0.00 C ATOM 1385 C LEU A 90 5.104 18.315 1.193 1.00 0.00 C ATOM 1386 O LEU A 90 5.060 19.515 1.461 1.00 0.00 O ATOM 1387 CB LEU A 90 3.255 16.810 2.132 1.00 0.00 C ATOM 1388 CG LEU A 90 2.114 15.827 1.862 1.00 0.00 C ATOM 1389 CD1 LEU A 90 1.708 15.094 3.142 1.00 0.00 C ATOM 1390 CD2 LEU A 90 0.926 16.534 1.205 1.00 0.00 C ATOM 0 H LEU A 90 4.674 15.822 0.059 1.00 0.00 H new ATOM 0 HA LEU A 90 3.060 18.265 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.068 16.268 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.904 17.557 2.843 1.00 0.00 H new ATOM 0 HG LEU A 90 2.470 15.074 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.895 14.401 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.562 14.540 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.377 15.818 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.129 15.813 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.561 17.321 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.242 16.972 0.258 1.00 0.00 H new ATOM 1402 N GLY A 91 6.218 17.601 1.126 1.00 0.00 N ATOM 1403 CA GLY A 91 7.513 18.210 1.374 1.00 0.00 C ATOM 1404 C GLY A 91 8.040 17.836 2.761 1.00 0.00 C ATOM 1405 O GLY A 91 7.500 16.944 3.413 1.00 0.00 O ATOM 0 H GLY A 91 6.250 16.606 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.223 17.886 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.430 19.294 1.293 1.00 0.00 H new ATOM 1409 N ASP A 92 9.087 18.536 3.170 1.00 0.00 N ATOM 1410 CA ASP A 92 9.692 18.288 4.467 1.00 0.00 C ATOM 1411 C ASP A 92 9.903 16.784 4.648 1.00 0.00 C ATOM 1412 O ASP A 92 9.783 16.265 5.757 1.00 0.00 O ATOM 1413 CB ASP A 92 8.788 18.778 5.600 1.00 0.00 C ATOM 1414 CG ASP A 92 8.994 20.239 6.006 1.00 0.00 C ATOM 1415 OD1 ASP A 92 8.473 21.110 5.276 1.00 0.00 O ATOM 1416 OD2 ASP A 92 9.668 20.452 7.037 1.00 0.00 O ATOM 0 H ASP A 92 9.532 19.275 2.626 1.00 0.00 H new ATOM 0 HA ASP A 92 10.640 18.825 4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.749 18.643 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.952 18.147 6.474 1.00 0.00 H new ATOM 1421 N ASN A 93 10.213 16.125 3.541 1.00 0.00 N ATOM 1422 CA ASN A 93 10.441 14.690 3.564 1.00 0.00 C ATOM 1423 C ASN A 93 9.171 13.983 4.042 1.00 0.00 C ATOM 1424 O ASN A 93 9.243 12.994 4.769 1.00 0.00 O ATOM 1425 CB ASN A 93 11.574 14.327 4.526 1.00 0.00 C ATOM 1426 CG ASN A 93 12.927 14.342 3.810 1.00 0.00 C ATOM 1427 OD1 ASN A 93 13.403 13.337 3.307 1.00 0.00 O ATOM 1428 ND2 ASN A 93 13.517 15.533 3.793 1.00 0.00 N ATOM 0 H ASN A 93 10.312 16.558 2.623 1.00 0.00 H new ATOM 0 HA ASN A 93 10.710 14.376 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.590 15.032 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.394 13.339 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.424 15.647 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.063 16.333 4.233 1.00 0.00 H new ATOM 1435 N LYS A 94 8.038 14.519 3.614 1.00 0.00 N ATOM 1436 CA LYS A 94 6.753 13.952 3.989 1.00 0.00 C ATOM 1437 C LYS A 94 5.869 13.836 2.745 1.00 0.00 C ATOM 1438 O LYS A 94 6.002 14.623 1.810 1.00 0.00 O ATOM 1439 CB LYS A 94 6.120 14.763 5.121 1.00 0.00 C ATOM 1440 CG LYS A 94 6.577 14.248 6.487 1.00 0.00 C ATOM 1441 CD LYS A 94 5.762 14.886 7.614 1.00 0.00 C ATOM 1442 CE LYS A 94 5.145 13.816 8.517 1.00 0.00 C ATOM 1443 NZ LYS A 94 4.439 14.444 9.657 1.00 0.00 N ATOM 0 H LYS A 94 7.982 15.340 3.011 1.00 0.00 H new ATOM 0 HA LYS A 94 6.881 12.944 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.390 15.814 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.034 14.705 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.471 13.164 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.635 14.470 6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.402 15.541 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.974 15.508 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.449 13.204 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.925 13.150 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.026 13.704 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.112 15.009 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.682 15.061 9.299 1.00 0.00 H new ATOM 1457 N THR A 95 4.987 12.848 2.776 1.00 0.00 N ATOM 1458 CA THR A 95 4.082 12.619 1.663 1.00 0.00 C ATOM 1459 C THR A 95 2.768 12.013 2.161 1.00 0.00 C ATOM 1460 O THR A 95 2.755 11.266 3.138 1.00 0.00 O ATOM 1461 CB THR A 95 4.804 11.743 0.638 1.00 0.00 C ATOM 1462 OG1 THR A 95 5.953 12.506 0.277 1.00 0.00 O ATOM 1463 CG2 THR A 95 4.023 11.606 -0.670 1.00 0.00 C ATOM 0 H THR A 95 4.880 12.197 3.554 1.00 0.00 H new ATOM 0 HA THR A 95 3.809 13.555 1.176 1.00 0.00 H new ATOM 0 HB THR A 95 4.976 10.754 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.701 12.268 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.580 10.974 -1.362 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.052 11.154 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.880 12.591 -1.113 1.00 0.00 H new ATOM 1471 N GLU A 96 1.694 12.358 1.466 1.00 0.00 N ATOM 1472 CA GLU A 96 0.378 11.857 1.825 1.00 0.00 C ATOM 1473 C GLU A 96 0.056 10.591 1.028 1.00 0.00 C ATOM 1474 O GLU A 96 0.128 10.591 -0.200 1.00 0.00 O ATOM 1475 CB GLU A 96 -0.694 12.928 1.609 1.00 0.00 C ATOM 1476 CG GLU A 96 -1.687 12.952 2.773 1.00 0.00 C ATOM 1477 CD GLU A 96 -2.813 13.955 2.513 1.00 0.00 C ATOM 1478 OE1 GLU A 96 -2.558 15.161 2.722 1.00 0.00 O ATOM 1479 OE2 GLU A 96 -3.902 13.493 2.111 1.00 0.00 O ATOM 0 H GLU A 96 1.708 12.978 0.656 1.00 0.00 H new ATOM 0 HA GLU A 96 0.384 11.604 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.222 13.905 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.225 12.734 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.108 11.957 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.167 13.215 3.694 1.00 0.00 H new ATOM 1486 N PHE A 97 -0.294 9.543 1.760 1.00 0.00 N ATOM 1487 CA PHE A 97 -0.627 8.273 1.136 1.00 0.00 C ATOM 1488 C PHE A 97 -2.092 7.909 1.384 1.00 0.00 C ATOM 1489 O PHE A 97 -2.557 7.927 2.522 1.00 0.00 O ATOM 1490 CB PHE A 97 0.266 7.211 1.781 1.00 0.00 C ATOM 1491 CG PHE A 97 0.370 5.914 0.976 1.00 0.00 C ATOM 1492 CD1 PHE A 97 -0.751 5.198 0.691 1.00 0.00 C ATOM 1493 CD2 PHE A 97 1.583 5.477 0.544 1.00 0.00 C ATOM 1494 CE1 PHE A 97 -0.654 3.995 -0.056 1.00 0.00 C ATOM 1495 CE2 PHE A 97 1.680 4.273 -0.203 1.00 0.00 C ATOM 1496 CZ PHE A 97 0.559 3.558 -0.487 1.00 0.00 C ATOM 0 H PHE A 97 -0.354 9.547 2.778 1.00 0.00 H new ATOM 0 HA PHE A 97 -0.473 8.335 0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.266 7.624 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.120 6.980 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.715 5.545 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.473 6.046 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.544 3.427 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.644 3.926 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.632 2.642 -1.055 1.00 0.00 H new ATOM 1506 N THR A 98 -2.780 7.588 0.298 1.00 0.00 N ATOM 1507 CA THR A 98 -4.183 7.220 0.382 1.00 0.00 C ATOM 1508 C THR A 98 -4.443 5.927 -0.392 1.00 0.00 C ATOM 1509 O THR A 98 -4.473 5.930 -1.622 1.00 0.00 O ATOM 1510 CB THR A 98 -5.013 8.405 -0.117 1.00 0.00 C ATOM 1511 OG1 THR A 98 -4.594 9.492 0.702 1.00 0.00 O ATOM 1512 CG2 THR A 98 -6.502 8.252 0.201 1.00 0.00 C ATOM 0 H THR A 98 -2.392 7.575 -0.645 1.00 0.00 H new ATOM 0 HA THR A 98 -4.476 7.010 1.411 1.00 0.00 H new ATOM 0 HB THR A 98 -4.881 8.513 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.254 9.641 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.045 9.119 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.885 7.350 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.638 8.178 1.280 1.00 0.00 H new ATOM 1520 N LEU A 99 -4.625 4.851 0.359 1.00 0.00 N ATOM 1521 CA LEU A 99 -4.882 3.553 -0.241 1.00 0.00 C ATOM 1522 C LEU A 99 -6.388 3.378 -0.444 1.00 0.00 C ATOM 1523 O LEU A 99 -7.165 3.516 0.499 1.00 0.00 O ATOM 1524 CB LEU A 99 -4.240 2.441 0.592 1.00 0.00 C ATOM 1525 CG LEU A 99 -4.901 1.064 0.494 1.00 0.00 C ATOM 1526 CD1 LEU A 99 -4.439 0.322 -0.761 1.00 0.00 C ATOM 1527 CD2 LEU A 99 -4.656 0.248 1.765 1.00 0.00 C ATOM 0 H LEU A 99 -4.600 4.852 1.379 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.418 3.490 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.197 2.344 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.242 2.750 1.637 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.978 1.207 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.924 -0.653 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.706 0.901 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.358 0.189 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.136 -0.726 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.584 0.112 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.073 0.776 2.622 1.00 0.00 H new ATOM 1539 N ILE A 100 -6.755 3.077 -1.681 1.00 0.00 N ATOM 1540 CA ILE A 100 -8.155 2.883 -2.020 1.00 0.00 C ATOM 1541 C ILE A 100 -8.334 1.503 -2.656 1.00 0.00 C ATOM 1542 O ILE A 100 -7.635 1.159 -3.608 1.00 0.00 O ATOM 1543 CB ILE A 100 -8.659 4.032 -2.894 1.00 0.00 C ATOM 1544 CG1 ILE A 100 -8.970 5.269 -2.047 1.00 0.00 C ATOM 1545 CG2 ILE A 100 -9.862 3.596 -3.734 1.00 0.00 C ATOM 1546 CD1 ILE A 100 -8.533 6.548 -2.764 1.00 0.00 C ATOM 0 H ILE A 100 -6.107 2.963 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.771 2.903 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.865 4.307 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.039 5.312 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.460 5.194 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.200 4.432 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.573 2.767 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.670 3.278 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.765 7.412 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.459 6.512 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.063 6.632 -3.713 1.00 0.00 H new ATOM 1558 N HIS A 101 -9.273 0.749 -2.103 1.00 0.00 N ATOM 1559 CA HIS A 101 -9.553 -0.586 -2.605 1.00 0.00 C ATOM 1560 C HIS A 101 -11.055 -0.737 -2.853 1.00 0.00 C ATOM 1561 O HIS A 101 -11.848 -0.713 -1.913 1.00 0.00 O ATOM 1562 CB HIS A 101 -8.999 -1.650 -1.655 1.00 0.00 C ATOM 1563 CG HIS A 101 -9.643 -3.007 -1.810 1.00 0.00 C ATOM 1564 ND1 HIS A 101 -9.597 -3.976 -0.823 1.00 0.00 N ATOM 1565 CD2 HIS A 101 -10.348 -3.545 -2.846 1.00 0.00 C ATOM 1566 CE1 HIS A 101 -10.248 -5.045 -1.256 1.00 0.00 C ATOM 1567 NE2 HIS A 101 -10.712 -4.777 -2.511 1.00 0.00 N ATOM 0 H HIS A 101 -9.850 1.037 -1.312 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.046 -0.734 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -7.926 -1.747 -1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.133 -1.311 -0.628 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -9.139 -3.883 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.572 -3.052 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.387 -5.967 -0.711 1.00 0.00 H new ATOM 1575 N GLY A 102 -11.400 -0.889 -4.123 1.00 0.00 N ATOM 1576 CA GLY A 102 -12.793 -1.043 -4.506 1.00 0.00 C ATOM 1577 C GLY A 102 -12.951 -2.134 -5.568 1.00 0.00 C ATOM 1578 O GLY A 102 -12.030 -2.914 -5.804 1.00 0.00 O ATOM 0 H GLY A 102 -10.739 -0.909 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.390 -1.295 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.175 -0.097 -4.891 1.00 0.00 H new ATOM 1582 N GLY A 103 -14.127 -2.154 -6.179 1.00 0.00 N ATOM 1583 CA GLY A 103 -14.418 -3.136 -7.210 1.00 0.00 C ATOM 1584 C GLY A 103 -15.848 -3.662 -7.077 1.00 0.00 C ATOM 1585 O GLY A 103 -16.499 -3.961 -8.077 1.00 0.00 O ATOM 0 H GLY A 103 -14.889 -1.506 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.282 -2.687 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.714 -3.965 -7.137 1.00 0.00 H new ATOM 1589 N TRP A 104 -16.295 -3.761 -5.834 1.00 0.00 N ATOM 1590 CA TRP A 104 -17.637 -4.246 -5.557 1.00 0.00 C ATOM 1591 C TRP A 104 -18.628 -3.339 -6.289 1.00 0.00 C ATOM 1592 O TRP A 104 -18.231 -2.359 -6.917 1.00 0.00 O ATOM 1593 CB TRP A 104 -17.893 -4.319 -4.051 1.00 0.00 C ATOM 1594 CG TRP A 104 -16.714 -4.867 -3.244 1.00 0.00 C ATOM 1595 CD1 TRP A 104 -15.631 -4.206 -2.813 1.00 0.00 C ATOM 1596 CD2 TRP A 104 -16.542 -6.225 -2.787 1.00 0.00 C ATOM 1597 NE1 TRP A 104 -14.777 -5.035 -2.114 1.00 0.00 N ATOM 1598 CE2 TRP A 104 -15.349 -6.302 -2.098 1.00 0.00 C ATOM 1599 CE3 TRP A 104 -17.368 -7.352 -2.950 1.00 0.00 C ATOM 1600 CZ2 TRP A 104 -14.873 -7.484 -1.517 1.00 0.00 C ATOM 1601 CZ3 TRP A 104 -16.878 -8.525 -2.364 1.00 0.00 C ATOM 1602 CH2 TRP A 104 -15.679 -8.619 -1.667 1.00 0.00 C ATOM 0 H TRP A 104 -15.752 -3.514 -5.007 1.00 0.00 H new ATOM 0 HA TRP A 104 -17.762 -5.265 -5.923 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -18.137 -3.321 -3.686 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.766 -4.947 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.449 -3.156 -2.990 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -13.890 -4.767 -1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -18.306 -7.315 -3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.935 -7.518 -0.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -17.474 -9.421 -2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -15.371 -9.563 -1.243 1.00 0.00 H new ATOM 1613 N LYS A 105 -19.899 -3.699 -6.184 1.00 0.00 N ATOM 1614 CA LYS A 105 -20.950 -2.929 -6.828 1.00 0.00 C ATOM 1615 C LYS A 105 -21.970 -2.487 -5.776 1.00 0.00 C ATOM 1616 O LYS A 105 -22.339 -1.315 -5.718 1.00 0.00 O ATOM 1617 CB LYS A 105 -21.563 -3.723 -7.983 1.00 0.00 C ATOM 1618 CG LYS A 105 -20.916 -3.339 -9.316 1.00 0.00 C ATOM 1619 CD LYS A 105 -21.410 -4.245 -10.446 1.00 0.00 C ATOM 1620 CE LYS A 105 -20.531 -5.491 -10.573 1.00 0.00 C ATOM 1621 NZ LYS A 105 -21.336 -6.716 -10.366 1.00 0.00 N ATOM 0 H LYS A 105 -20.225 -4.513 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 105 -20.540 -2.023 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -21.432 -4.790 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -22.636 -3.537 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -21.147 -2.300 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -19.832 -3.413 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -22.442 -4.541 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -21.405 -3.695 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -20.066 -5.516 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -19.724 -5.451 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -20.732 -7.553 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -21.732 -6.713 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -22.111 -6.743 -11.059 1.00 0.00 H new ATOM 1635 N HIS A 106 -22.396 -3.449 -4.970 1.00 0.00 N ATOM 1636 CA HIS A 106 -23.366 -3.173 -3.924 1.00 0.00 C ATOM 1637 C HIS A 106 -23.159 -4.148 -2.763 1.00 0.00 C ATOM 1638 O HIS A 106 -22.723 -5.279 -2.968 1.00 0.00 O ATOM 1639 CB HIS A 106 -24.790 -3.207 -4.481 1.00 0.00 C ATOM 1640 CG HIS A 106 -25.575 -1.940 -4.240 1.00 0.00 C ATOM 1641 ND1 HIS A 106 -25.212 -0.631 -4.361 1.00 0.00 N flip ATOM 1642 CD2 HIS A 106 -26.895 -1.943 -3.823 1.00 0.00 C flip ATOM 1643 CE1 HIS A 106 -26.254 0.125 -4.037 1.00 0.00 C flip ATOM 1644 NE2 HIS A 106 -27.298 -0.686 -3.703 1.00 0.00 N flip ATOM 0 H HIS A 106 -22.087 -4.420 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.214 -2.165 -3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -24.745 -3.396 -5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.325 -4.044 -4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -27.494 -2.820 -3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -26.272 1.205 -4.038 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -28.226 -0.379 -3.412 1.00 0.00 H new ATOM 1652 N PRO A 107 -23.491 -3.660 -1.538 1.00 0.00 N ATOM 1653 CA PRO A 107 -23.347 -4.476 -0.344 1.00 0.00 C ATOM 1654 C PRO A 107 -24.452 -5.530 -0.262 1.00 0.00 C ATOM 1655 O PRO A 107 -24.301 -6.542 0.419 1.00 0.00 O ATOM 1656 CB PRO A 107 -23.380 -3.489 0.813 1.00 0.00 C ATOM 1657 CG PRO A 107 -24.005 -2.219 0.259 1.00 0.00 C ATOM 1658 CD PRO A 107 -24.011 -2.325 -1.257 1.00 0.00 C ATOM 0 HA PRO A 107 -22.420 -5.049 -0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -23.965 -3.882 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -22.376 -3.297 1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -25.020 -2.097 0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -23.439 -1.344 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -25.016 -2.199 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.388 -1.554 -1.710 1.00 0.00 H new ATOM 1666 N ASP A 108 -25.540 -5.256 -0.967 1.00 0.00 N ATOM 1667 CA ASP A 108 -26.671 -6.168 -0.983 1.00 0.00 C ATOM 1668 C ASP A 108 -26.286 -7.438 -1.745 1.00 0.00 C ATOM 1669 O ASP A 108 -26.534 -8.547 -1.275 1.00 0.00 O ATOM 1670 CB ASP A 108 -27.875 -5.541 -1.689 1.00 0.00 C ATOM 1671 CG ASP A 108 -29.239 -6.000 -1.172 1.00 0.00 C ATOM 1672 OD1 ASP A 108 -29.573 -5.613 -0.031 1.00 0.00 O ATOM 1673 OD2 ASP A 108 -29.918 -6.727 -1.929 1.00 0.00 O ATOM 0 H ASP A 108 -25.662 -4.415 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 108 -26.936 -6.394 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -27.812 -4.457 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -27.812 -5.768 -2.753 1.00 0.00 H new ATOM 1678 N GLU A 109 -25.685 -7.233 -2.908 1.00 0.00 N ATOM 1679 CA GLU A 109 -25.262 -8.348 -3.738 1.00 0.00 C ATOM 1680 C GLU A 109 -23.986 -8.976 -3.175 1.00 0.00 C ATOM 1681 O GLU A 109 -23.332 -8.393 -2.311 1.00 0.00 O ATOM 1682 CB GLU A 109 -25.062 -7.905 -5.189 1.00 0.00 C ATOM 1683 CG GLU A 109 -23.880 -6.941 -5.310 1.00 0.00 C ATOM 1684 CD GLU A 109 -23.686 -6.490 -6.759 1.00 0.00 C ATOM 1685 OE1 GLU A 109 -24.690 -6.038 -7.352 1.00 0.00 O ATOM 1686 OE2 GLU A 109 -22.539 -6.607 -7.241 1.00 0.00 O ATOM 0 H GLU A 109 -25.481 -6.312 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 109 -26.049 -9.103 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -24.890 -8.778 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -25.969 -7.422 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -24.049 -6.072 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -22.972 -7.426 -4.952 1.00 0.00 H new ATOM 1693 N ILE A 110 -23.669 -10.156 -3.688 1.00 0.00 N ATOM 1694 CA ILE A 110 -22.483 -10.869 -3.247 1.00 0.00 C ATOM 1695 C ILE A 110 -21.618 -11.211 -4.461 1.00 0.00 C ATOM 1696 O ILE A 110 -22.124 -11.325 -5.577 1.00 0.00 O ATOM 1697 CB ILE A 110 -22.871 -12.087 -2.406 1.00 0.00 C ATOM 1698 CG1 ILE A 110 -23.965 -11.731 -1.397 1.00 0.00 C ATOM 1699 CG2 ILE A 110 -21.644 -12.699 -1.728 1.00 0.00 C ATOM 1700 CD1 ILE A 110 -23.390 -10.938 -0.222 1.00 0.00 C ATOM 0 H ILE A 110 -24.213 -10.636 -4.405 1.00 0.00 H new ATOM 0 HA ILE A 110 -21.881 -10.238 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 110 -23.282 -12.845 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -24.742 -11.147 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -24.436 -12.643 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -21.948 -13.563 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -20.928 -13.013 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -21.181 -11.958 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -24.188 -10.698 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -22.630 -11.535 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -22.941 -10.016 -0.590 1.00 0.00 H new ATOM 1712 N LEU A 111 -20.327 -11.366 -4.204 1.00 0.00 N ATOM 1713 CA LEU A 111 -19.387 -11.693 -5.263 1.00 0.00 C ATOM 1714 C LEU A 111 -19.423 -13.200 -5.524 1.00 0.00 C ATOM 1715 O LEU A 111 -19.448 -13.995 -4.586 1.00 0.00 O ATOM 1716 CB LEU A 111 -17.993 -11.160 -4.924 1.00 0.00 C ATOM 1717 CG LEU A 111 -17.351 -10.249 -5.972 1.00 0.00 C ATOM 1718 CD1 LEU A 111 -17.817 -8.802 -5.800 1.00 0.00 C ATOM 1719 CD2 LEU A 111 -15.825 -10.367 -5.940 1.00 0.00 C ATOM 0 H LEU A 111 -19.910 -11.271 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 111 -19.674 -11.202 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -18.054 -10.612 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -17.332 -12.010 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.679 -10.578 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.346 -8.176 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -18.900 -8.753 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -17.537 -8.445 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.393 -9.709 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.458 -10.079 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.535 -11.397 -6.148 1.00 0.00 H new ATOM 1731 N PRO A 112 -19.425 -13.556 -6.836 1.00 0.00 N ATOM 1732 CA PRO A 112 -19.457 -14.953 -7.232 1.00 0.00 C ATOM 1733 C PRO A 112 -18.095 -15.616 -7.018 1.00 0.00 C ATOM 1734 O PRO A 112 -18.010 -16.693 -6.431 1.00 0.00 O ATOM 1735 CB PRO A 112 -19.888 -14.939 -8.690 1.00 0.00 C ATOM 1736 CG PRO A 112 -19.632 -13.526 -9.187 1.00 0.00 C ATOM 1737 CD PRO A 112 -19.395 -12.641 -7.973 1.00 0.00 C ATOM 0 HA PRO A 112 -20.148 -15.544 -6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.321 -15.666 -9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.941 -15.203 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.767 -13.505 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.483 -13.164 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.438 -12.124 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.165 -11.875 -7.885 1.00 0.00 H new ATOM 1745 N LYS A 113 -17.062 -14.944 -7.507 1.00 0.00 N ATOM 1746 CA LYS A 113 -15.708 -15.453 -7.376 1.00 0.00 C ATOM 1747 C LYS A 113 -15.179 -15.132 -5.977 1.00 0.00 C ATOM 1748 O LYS A 113 -14.117 -14.528 -5.834 1.00 0.00 O ATOM 1749 CB LYS A 113 -14.824 -14.920 -8.505 1.00 0.00 C ATOM 1750 CG LYS A 113 -14.592 -15.991 -9.573 1.00 0.00 C ATOM 1751 CD LYS A 113 -13.293 -16.756 -9.310 1.00 0.00 C ATOM 1752 CE LYS A 113 -13.571 -18.238 -9.056 1.00 0.00 C ATOM 1753 NZ LYS A 113 -12.332 -18.936 -8.648 1.00 0.00 N ATOM 0 H LYS A 113 -17.136 -14.051 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 113 -15.698 -16.538 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.293 -14.046 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.867 -14.593 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -15.432 -16.686 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -14.551 -15.525 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.625 -16.649 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.781 -16.326 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.328 -18.344 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -13.974 -18.698 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.539 -19.941 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.621 -18.851 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.964 -18.508 -7.775 1.00 0.00 H new ATOM 1767 N ALA A 114 -15.945 -15.551 -4.979 1.00 0.00 N ATOM 1768 CA ALA A 114 -15.566 -15.316 -3.596 1.00 0.00 C ATOM 1769 C ALA A 114 -16.671 -15.836 -2.675 1.00 0.00 C ATOM 1770 O ALA A 114 -16.511 -16.872 -2.032 1.00 0.00 O ATOM 1771 CB ALA A 114 -15.288 -13.825 -3.390 1.00 0.00 C ATOM 0 H ALA A 114 -16.825 -16.051 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.651 -15.855 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.004 -13.648 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.477 -13.512 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.185 -13.252 -3.623 1.00 0.00 H new ATOM 1777 N ASN A 115 -17.767 -15.092 -2.639 1.00 0.00 N ATOM 1778 CA ASN A 115 -18.898 -15.465 -1.807 1.00 0.00 C ATOM 1779 C ASN A 115 -18.647 -14.995 -0.373 1.00 0.00 C ATOM 1780 O ASN A 115 -18.130 -15.749 0.450 1.00 0.00 O ATOM 1781 CB ASN A 115 -19.085 -16.983 -1.780 1.00 0.00 C ATOM 1782 CG ASN A 115 -20.544 -17.351 -1.500 1.00 0.00 C ATOM 1783 OD1 ASN A 115 -21.439 -17.089 -2.286 1.00 0.00 O ATOM 1784 ND2 ASN A 115 -20.732 -17.971 -0.338 1.00 0.00 N ATOM 0 H ASN A 115 -17.896 -14.232 -3.173 1.00 0.00 H new ATOM 0 HA ASN A 115 -19.791 -14.999 -2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -18.776 -17.408 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -18.443 -17.419 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -21.670 -18.258 -0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -19.938 -18.160 0.274 1.00 0.00 H new ATOM 1791 N ALA A 116 -19.026 -13.751 -0.117 1.00 0.00 N ATOM 1792 CA ALA A 116 -18.848 -13.171 1.203 1.00 0.00 C ATOM 1793 C ALA A 116 -19.272 -11.701 1.171 1.00 0.00 C ATOM 1794 O ALA A 116 -18.885 -10.960 0.269 1.00 0.00 O ATOM 1795 CB ALA A 116 -17.396 -13.350 1.649 1.00 0.00 C ATOM 0 H ALA A 116 -19.456 -13.129 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 116 -19.477 -13.680 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -17.263 -12.915 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -17.155 -14.412 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -16.734 -12.851 0.942 1.00 0.00 H new ATOM 1801 N LYS A 117 -20.061 -11.324 2.167 1.00 0.00 N ATOM 1802 CA LYS A 117 -20.541 -9.956 2.264 1.00 0.00 C ATOM 1803 C LYS A 117 -19.355 -8.995 2.154 1.00 0.00 C ATOM 1804 O LYS A 117 -18.452 -9.020 2.989 1.00 0.00 O ATOM 1805 CB LYS A 117 -21.369 -9.768 3.536 1.00 0.00 C ATOM 1806 CG LYS A 117 -22.603 -10.672 3.526 1.00 0.00 C ATOM 1807 CD LYS A 117 -23.549 -10.322 4.676 1.00 0.00 C ATOM 1808 CE LYS A 117 -24.875 -11.075 4.545 1.00 0.00 C ATOM 1809 NZ LYS A 117 -25.484 -11.288 5.876 1.00 0.00 N ATOM 0 H LYS A 117 -20.380 -11.942 2.913 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.214 -9.729 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.757 -9.992 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.678 -8.726 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -23.126 -10.568 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -22.295 -11.714 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -23.078 -10.570 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.736 -9.248 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -25.559 -10.511 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -24.708 -12.035 4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -26.383 -11.800 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -24.836 -11.846 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -25.662 -10.368 6.328 1.00 0.00 H new ATOM 1823 N SER A 118 -19.397 -8.170 1.118 1.00 0.00 N ATOM 1824 CA SER A 118 -18.337 -7.203 0.888 1.00 0.00 C ATOM 1825 C SER A 118 -18.019 -6.458 2.186 1.00 0.00 C ATOM 1826 O SER A 118 -16.867 -6.417 2.616 1.00 0.00 O ATOM 1827 CB SER A 118 -18.725 -6.212 -0.211 1.00 0.00 C ATOM 1828 OG SER A 118 -17.660 -5.317 -0.523 1.00 0.00 O ATOM 0 H SER A 118 -20.148 -8.151 0.429 1.00 0.00 H new ATOM 0 HA SER A 118 -17.448 -7.741 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 118 -19.013 -6.760 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 118 -19.597 -5.641 0.107 1.00 0.00 H new ATOM 0 HG SER A 118 -17.227 -5.601 -1.355 1.00 0.00 H new ATOM 1834 N SER A 119 -19.060 -5.887 2.774 1.00 0.00 N ATOM 1835 CA SER A 119 -18.905 -5.145 4.014 1.00 0.00 C ATOM 1836 C SER A 119 -17.988 -5.910 4.970 1.00 0.00 C ATOM 1837 O SER A 119 -17.233 -5.304 5.729 1.00 0.00 O ATOM 1838 CB SER A 119 -20.261 -4.886 4.673 1.00 0.00 C ATOM 1839 OG SER A 119 -20.548 -5.836 5.696 1.00 0.00 O ATOM 0 H SER A 119 -20.014 -5.923 2.415 1.00 0.00 H new ATOM 0 HA SER A 119 -18.454 -4.180 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 119 -20.272 -3.882 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.044 -4.921 3.916 1.00 0.00 H new ATOM 0 HG SER A 119 -21.421 -5.635 6.093 1.00 0.00 H new ATOM 1845 N ILE A 120 -18.082 -7.229 4.901 1.00 0.00 N ATOM 1846 CA ILE A 120 -17.270 -8.083 5.752 1.00 0.00 C ATOM 1847 C ILE A 120 -15.859 -8.181 5.169 1.00 0.00 C ATOM 1848 O ILE A 120 -14.874 -8.018 5.888 1.00 0.00 O ATOM 1849 CB ILE A 120 -17.948 -9.440 5.953 1.00 0.00 C ATOM 1850 CG1 ILE A 120 -19.367 -9.268 6.498 1.00 0.00 C ATOM 1851 CG2 ILE A 120 -17.098 -10.351 6.841 1.00 0.00 C ATOM 1852 CD1 ILE A 120 -20.031 -10.626 6.735 1.00 0.00 C ATOM 0 H ILE A 120 -18.708 -7.728 4.269 1.00 0.00 H new ATOM 0 HA ILE A 120 -17.175 -7.650 6.748 1.00 0.00 H new ATOM 0 HB ILE A 120 -18.034 -9.927 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -19.336 -8.706 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -19.962 -8.686 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -17.602 -11.309 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -16.127 -10.512 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -16.959 -9.882 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -21.039 -10.476 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -20.082 -11.175 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -19.446 -11.196 7.457 1.00 0.00 H new ATOM 1864 N ILE A 121 -15.805 -8.447 3.872 1.00 0.00 N ATOM 1865 CA ILE A 121 -14.531 -8.569 3.185 1.00 0.00 C ATOM 1866 C ILE A 121 -13.748 -7.263 3.336 1.00 0.00 C ATOM 1867 O ILE A 121 -12.579 -7.277 3.717 1.00 0.00 O ATOM 1868 CB ILE A 121 -14.745 -8.992 1.730 1.00 0.00 C ATOM 1869 CG1 ILE A 121 -15.410 -10.368 1.652 1.00 0.00 C ATOM 1870 CG2 ILE A 121 -13.432 -8.945 0.946 1.00 0.00 C ATOM 1871 CD1 ILE A 121 -14.458 -11.465 2.135 1.00 0.00 C ATOM 0 H ILE A 121 -16.624 -8.581 3.279 1.00 0.00 H new ATOM 0 HA ILE A 121 -13.929 -9.357 3.637 1.00 0.00 H new ATOM 0 HB ILE A 121 -15.424 -8.279 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -16.315 -10.373 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -15.714 -10.571 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -13.613 -9.250 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -13.036 -7.929 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -12.710 -9.622 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -14.955 -12.433 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -13.565 -11.473 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -14.175 -11.272 3.170 1.00 0.00 H new ATOM 1883 N ARG A 122 -14.425 -6.166 3.030 1.00 0.00 N ATOM 1884 CA ARG A 122 -13.807 -4.854 3.127 1.00 0.00 C ATOM 1885 C ARG A 122 -13.462 -4.536 4.583 1.00 0.00 C ATOM 1886 O ARG A 122 -12.559 -3.745 4.852 1.00 0.00 O ATOM 1887 CB ARG A 122 -14.735 -3.767 2.581 1.00 0.00 C ATOM 1888 CG ARG A 122 -16.109 -3.832 3.251 1.00 0.00 C ATOM 1889 CD ARG A 122 -16.513 -2.465 3.809 1.00 0.00 C ATOM 1890 NE ARG A 122 -15.519 -2.014 4.809 1.00 0.00 N ATOM 1891 CZ ARG A 122 -15.627 -0.881 5.516 1.00 0.00 C ATOM 1892 NH1 ARG A 122 -16.685 -0.078 5.338 1.00 0.00 N ATOM 1893 NH2 ARG A 122 -14.677 -0.551 6.402 1.00 0.00 N ATOM 0 H ARG A 122 -15.395 -6.158 2.715 1.00 0.00 H new ATOM 0 HA ARG A 122 -12.895 -4.872 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -14.290 -2.786 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -14.846 -3.886 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -16.854 -4.169 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -16.090 -4.566 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -16.582 -1.738 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -17.500 -2.527 4.267 1.00 0.00 H new ATOM 0 HE ARG A 122 -14.701 -2.602 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -17.408 -0.329 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -16.767 0.784 5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -13.872 -1.162 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -14.759 0.312 6.940 1.00 0.00 H new ATOM 1907 N ASP A 123 -14.198 -5.170 5.484 1.00 0.00 N ATOM 1908 CA ASP A 123 -13.981 -4.965 6.906 1.00 0.00 C ATOM 1909 C ASP A 123 -12.692 -5.672 7.328 1.00 0.00 C ATOM 1910 O ASP A 123 -11.896 -5.119 8.085 1.00 0.00 O ATOM 1911 CB ASP A 123 -15.131 -5.549 7.729 1.00 0.00 C ATOM 1912 CG ASP A 123 -16.031 -4.514 8.408 1.00 0.00 C ATOM 1913 OD1 ASP A 123 -15.503 -3.429 8.734 1.00 0.00 O ATOM 1914 OD2 ASP A 123 -17.227 -4.832 8.585 1.00 0.00 O ATOM 0 H ASP A 123 -14.945 -5.826 5.257 1.00 0.00 H new ATOM 0 HA ASP A 123 -13.918 -3.892 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.745 -6.171 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.714 -6.204 8.494 1.00 0.00 H new ATOM 1919 N ARG A 124 -12.526 -6.884 6.819 1.00 0.00 N ATOM 1920 CA ARG A 124 -11.346 -7.672 7.134 1.00 0.00 C ATOM 1921 C ARG A 124 -10.125 -7.117 6.399 1.00 0.00 C ATOM 1922 O ARG A 124 -9.083 -6.881 7.008 1.00 0.00 O ATOM 1923 CB ARG A 124 -11.544 -9.138 6.744 1.00 0.00 C ATOM 1924 CG ARG A 124 -11.941 -9.980 7.959 1.00 0.00 C ATOM 1925 CD ARG A 124 -11.325 -11.378 7.882 1.00 0.00 C ATOM 1926 NE ARG A 124 -10.239 -11.509 8.879 1.00 0.00 N ATOM 1927 CZ ARG A 124 -10.438 -11.557 10.203 1.00 0.00 C ATOM 1928 NH1 ARG A 124 -11.681 -11.485 10.698 1.00 0.00 N ATOM 1929 NH2 ARG A 124 -9.393 -11.677 11.033 1.00 0.00 N ATOM 0 H ARG A 124 -13.188 -7.339 6.191 1.00 0.00 H new ATOM 0 HA ARG A 124 -11.184 -7.612 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -12.315 -9.213 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -10.624 -9.530 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -11.613 -9.484 8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -13.027 -10.060 8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -12.090 -12.132 8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.934 -11.557 6.881 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.280 -11.566 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.477 -11.394 10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.831 -11.522 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.447 -11.732 10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.544 -11.714 12.041 1.00 0.00 H new ATOM 1943 N MET A 125 -10.294 -6.923 5.099 1.00 0.00 N ATOM 1944 CA MET A 125 -9.218 -6.399 4.274 1.00 0.00 C ATOM 1945 C MET A 125 -8.730 -5.049 4.802 1.00 0.00 C ATOM 1946 O MET A 125 -7.527 -4.804 4.873 1.00 0.00 O ATOM 1947 CB MET A 125 -9.710 -6.237 2.835 1.00 0.00 C ATOM 1948 CG MET A 125 -9.303 -7.438 1.978 1.00 0.00 C ATOM 1949 SD MET A 125 -7.527 -7.493 1.809 1.00 0.00 S ATOM 1950 CE MET A 125 -7.393 -8.140 0.151 1.00 0.00 C ATOM 0 H MET A 125 -11.160 -7.119 4.597 1.00 0.00 H new ATOM 0 HA MET A 125 -8.386 -7.102 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 125 -10.795 -6.131 2.827 1.00 0.00 H new ATOM 0 HB3 MET A 125 -9.298 -5.323 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 125 -9.662 -8.360 2.435 1.00 0.00 H new ATOM 0 HG3 MET A 125 -9.768 -7.368 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 125 -6.341 -8.238 -0.117 1.00 0.00 H new ATOM 0 HE2 MET A 125 -7.873 -9.117 0.102 1.00 0.00 H new ATOM 0 HE3 MET A 125 -7.883 -7.460 -0.546 1.00 0.00 H new ATOM 1960 N SER A 126 -9.690 -4.207 5.159 1.00 0.00 N ATOM 1961 CA SER A 126 -9.373 -2.888 5.678 1.00 0.00 C ATOM 1962 C SER A 126 -8.513 -3.013 6.937 1.00 0.00 C ATOM 1963 O SER A 126 -7.444 -2.412 7.026 1.00 0.00 O ATOM 1964 CB SER A 126 -10.646 -2.095 5.981 1.00 0.00 C ATOM 1965 OG SER A 126 -10.373 -0.910 6.725 1.00 0.00 O ATOM 0 H SER A 126 -10.687 -4.413 5.099 1.00 0.00 H new ATOM 0 HA SER A 126 -8.813 -2.347 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.139 -1.830 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.339 -2.723 6.541 1.00 0.00 H new ATOM 0 HG SER A 126 -11.211 -0.431 6.897 1.00 0.00 H new ATOM 1971 N GLY A 127 -9.013 -3.799 7.880 1.00 0.00 N ATOM 1972 CA GLY A 127 -8.304 -4.011 9.131 1.00 0.00 C ATOM 1973 C GLY A 127 -6.852 -4.423 8.875 1.00 0.00 C ATOM 1974 O GLY A 127 -5.936 -3.908 9.513 1.00 0.00 O ATOM 0 H GLY A 127 -9.900 -4.296 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -8.327 -3.098 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -8.808 -4.783 9.713 1.00 0.00 H new ATOM 1978 N GLY A 128 -6.689 -5.348 7.940 1.00 0.00 N ATOM 1979 CA GLY A 128 -5.365 -5.835 7.593 1.00 0.00 C ATOM 1980 C GLY A 128 -4.571 -4.770 6.833 1.00 0.00 C ATOM 1981 O GLY A 128 -3.368 -4.620 7.043 1.00 0.00 O ATOM 0 H GLY A 128 -7.452 -5.773 7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -4.828 -6.117 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.453 -6.733 6.982 1.00 0.00 H new ATOM 1985 N TRP A 129 -5.276 -4.057 5.967 1.00 0.00 N ATOM 1986 CA TRP A 129 -4.653 -3.010 5.176 1.00 0.00 C ATOM 1987 C TRP A 129 -4.223 -1.891 6.126 1.00 0.00 C ATOM 1988 O TRP A 129 -3.164 -1.292 5.947 1.00 0.00 O ATOM 1989 CB TRP A 129 -5.592 -2.527 4.069 1.00 0.00 C ATOM 1990 CG TRP A 129 -5.477 -3.319 2.765 1.00 0.00 C ATOM 1991 CD1 TRP A 129 -6.450 -3.956 2.099 1.00 0.00 C ATOM 1992 CD2 TRP A 129 -4.278 -3.534 1.992 1.00 0.00 C ATOM 1993 NE1 TRP A 129 -5.967 -4.564 0.958 1.00 0.00 N ATOM 1994 CE2 TRP A 129 -4.604 -4.299 0.891 1.00 0.00 C ATOM 1995 CE3 TRP A 129 -2.960 -3.097 2.216 1.00 0.00 C ATOM 1996 CZ2 TRP A 129 -3.669 -4.693 -0.073 1.00 0.00 C ATOM 1997 CZ3 TRP A 129 -2.037 -3.499 1.243 1.00 0.00 C ATOM 1998 CH2 TRP A 129 -2.350 -4.269 0.129 1.00 0.00 C ATOM 0 H TRP A 129 -6.273 -4.184 5.796 1.00 0.00 H new ATOM 0 HA TRP A 129 -3.769 -3.389 4.663 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -6.620 -2.585 4.428 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -5.385 -1.477 3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -7.482 -3.989 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -6.510 -5.108 0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -2.682 -2.499 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -3.950 -5.292 -0.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -1.010 -3.189 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -1.579 -4.539 -0.578 1.00 0.00 H new ATOM 2009 N VAL A 130 -5.066 -1.644 7.117 1.00 0.00 N ATOM 2010 CA VAL A 130 -4.787 -0.607 8.097 1.00 0.00 C ATOM 2011 C VAL A 130 -3.450 -0.904 8.779 1.00 0.00 C ATOM 2012 O VAL A 130 -2.554 -0.061 8.790 1.00 0.00 O ATOM 2013 CB VAL A 130 -5.950 -0.493 9.084 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -5.655 0.554 10.160 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.258 -0.177 8.356 1.00 0.00 C ATOM 0 H VAL A 130 -5.943 -2.144 7.263 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.696 0.364 7.611 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.066 -1.458 9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.498 0.615 10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -4.758 0.269 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -5.499 1.525 9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -8.069 -0.101 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.158 0.768 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.480 -0.973 7.645 1.00 0.00 H new ATOM 2025 N ALA A 131 -3.358 -2.104 9.333 1.00 0.00 N ATOM 2026 CA ALA A 131 -2.146 -2.522 10.016 1.00 0.00 C ATOM 2027 C ALA A 131 -0.998 -2.599 9.008 1.00 0.00 C ATOM 2028 O ALA A 131 0.069 -2.031 9.233 1.00 0.00 O ATOM 2029 CB ALA A 131 -2.393 -3.857 10.722 1.00 0.00 C ATOM 0 H ALA A 131 -4.103 -2.800 9.323 1.00 0.00 H new ATOM 0 HA ALA A 131 -1.866 -1.796 10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -1.484 -4.171 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.198 -3.741 11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.674 -4.611 9.987 1.00 0.00 H new ATOM 2035 N ILE A 132 -1.256 -3.307 7.918 1.00 0.00 N ATOM 2036 CA ILE A 132 -0.258 -3.465 6.874 1.00 0.00 C ATOM 2037 C ILE A 132 0.219 -2.085 6.417 1.00 0.00 C ATOM 2038 O ILE A 132 1.394 -1.904 6.101 1.00 0.00 O ATOM 2039 CB ILE A 132 -0.802 -4.335 5.739 1.00 0.00 C ATOM 2040 CG1 ILE A 132 -0.907 -5.799 6.172 1.00 0.00 C ATOM 2041 CG2 ILE A 132 0.038 -4.171 4.471 1.00 0.00 C ATOM 2042 CD1 ILE A 132 -1.803 -6.590 5.217 1.00 0.00 C ATOM 0 H ILE A 132 -2.142 -3.778 7.735 1.00 0.00 H new ATOM 0 HA ILE A 132 0.615 -3.993 7.258 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.811 -3.996 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 132 0.087 -6.246 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -1.309 -5.855 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -0.370 -4.800 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.017 -3.129 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.067 -4.467 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.861 -7.627 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.802 -6.155 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -1.385 -6.552 4.211 1.00 0.00 H new ATOM 2054 N VAL A 133 -0.717 -1.148 6.397 1.00 0.00 N ATOM 2055 CA VAL A 133 -0.407 0.210 5.984 1.00 0.00 C ATOM 2056 C VAL A 133 0.385 0.908 7.091 1.00 0.00 C ATOM 2057 O VAL A 133 1.189 1.798 6.818 1.00 0.00 O ATOM 2058 CB VAL A 133 -1.694 0.951 5.612 1.00 0.00 C ATOM 2059 CG1 VAL A 133 -1.468 2.464 5.590 1.00 0.00 C ATOM 2060 CG2 VAL A 133 -2.241 0.458 4.271 1.00 0.00 C ATOM 0 H VAL A 133 -1.690 -1.302 6.660 1.00 0.00 H new ATOM 0 HA VAL A 133 0.219 0.203 5.091 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.439 0.735 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.397 2.967 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -1.145 2.798 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.700 2.707 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.155 1.000 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.500 0.630 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.458 -0.608 4.336 1.00 0.00 H new ATOM 2070 N ASN A 134 0.130 0.477 8.318 1.00 0.00 N ATOM 2071 CA ASN A 134 0.809 1.049 9.468 1.00 0.00 C ATOM 2072 C ASN A 134 1.675 -0.025 10.130 1.00 0.00 C ATOM 2073 O ASN A 134 1.789 -0.069 11.354 1.00 0.00 O ATOM 2074 CB ASN A 134 -0.195 1.552 10.507 1.00 0.00 C ATOM 2075 CG ASN A 134 -0.950 2.778 9.990 1.00 0.00 C ATOM 2076 OD1 ASN A 134 -0.763 3.894 10.447 1.00 0.00 O ATOM 2077 ND2 ASN A 134 -1.812 2.510 9.013 1.00 0.00 N ATOM 0 H ASN A 134 -0.537 -0.262 8.540 1.00 0.00 H new ATOM 0 HA ASN A 134 1.416 1.884 9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 134 -0.903 0.759 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 134 0.327 1.804 11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 134 -2.365 3.261 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 134 -1.920 1.553 8.677 1.00 0.00 H new ATOM 2084 N GLU A 135 2.263 -0.866 9.291 1.00 0.00 N ATOM 2085 CA GLU A 135 3.115 -1.937 9.779 1.00 0.00 C ATOM 2086 C GLU A 135 4.332 -2.105 8.867 1.00 0.00 C ATOM 2087 O GLU A 135 5.420 -1.627 9.183 1.00 0.00 O ATOM 2088 CB GLU A 135 2.334 -3.247 9.899 1.00 0.00 C ATOM 2089 CG GLU A 135 1.403 -3.221 11.112 1.00 0.00 C ATOM 2090 CD GLU A 135 1.940 -4.111 12.235 1.00 0.00 C ATOM 2091 OE1 GLU A 135 2.319 -5.259 11.918 1.00 0.00 O ATOM 2092 OE2 GLU A 135 1.960 -3.622 13.386 1.00 0.00 O ATOM 0 H GLU A 135 2.166 -0.827 8.276 1.00 0.00 H new ATOM 0 HA GLU A 135 3.467 -1.670 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.752 -3.412 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.029 -4.082 9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.298 -2.198 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 135 0.409 -3.559 10.819 1.00 0.00 H new ATOM 2099 N LYS A 136 4.106 -2.785 7.752 1.00 0.00 N ATOM 2100 CA LYS A 136 5.171 -3.022 6.792 1.00 0.00 C ATOM 2101 C LYS A 136 5.498 -1.716 6.067 1.00 0.00 C ATOM 2102 O LYS A 136 6.567 -1.141 6.267 1.00 0.00 O ATOM 2103 CB LYS A 136 4.798 -4.171 5.852 1.00 0.00 C ATOM 2104 CG LYS A 136 4.765 -5.504 6.602 1.00 0.00 C ATOM 2105 CD LYS A 136 3.354 -5.817 7.103 1.00 0.00 C ATOM 2106 CE LYS A 136 3.044 -7.309 6.973 1.00 0.00 C ATOM 2107 NZ LYS A 136 2.283 -7.785 8.150 1.00 0.00 N ATOM 0 H LYS A 136 3.202 -3.179 7.492 1.00 0.00 H new ATOM 0 HA LYS A 136 6.080 -3.340 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 136 3.823 -3.977 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.518 -4.226 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.107 -6.304 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.454 -5.468 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 136 3.258 -5.512 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 136 2.626 -5.240 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 136 2.470 -7.489 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 136 3.972 -7.873 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 2.081 -8.800 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 2.844 -7.631 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.388 -7.259 8.221 1.00 0.00 H new ATOM 2121 N LEU A 137 4.557 -1.283 5.240 1.00 0.00 N ATOM 2122 CA LEU A 137 4.732 -0.055 4.484 1.00 0.00 C ATOM 2123 C LEU A 137 5.478 0.966 5.345 1.00 0.00 C ATOM 2124 O LEU A 137 6.491 1.519 4.920 1.00 0.00 O ATOM 2125 CB LEU A 137 3.385 0.449 3.961 1.00 0.00 C ATOM 2126 CG LEU A 137 3.417 1.766 3.184 1.00 0.00 C ATOM 2127 CD1 LEU A 137 4.477 1.726 2.081 1.00 0.00 C ATOM 2128 CD2 LEU A 137 2.032 2.113 2.636 1.00 0.00 C ATOM 0 H LEU A 137 3.671 -1.761 5.077 1.00 0.00 H new ATOM 0 HA LEU A 137 5.344 -0.235 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 137 2.957 -0.319 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 137 2.710 0.567 4.809 1.00 0.00 H new ATOM 0 HG LEU A 137 3.699 2.562 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 137 4.479 2.674 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 137 5.458 1.558 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 137 4.250 0.917 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 137 2.083 3.054 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.697 1.321 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 137 1.328 2.212 3.462 1.00 0.00 H new ATOM 2140 N LYS A 138 4.948 1.186 6.539 1.00 0.00 N ATOM 2141 CA LYS A 138 5.552 2.131 7.463 1.00 0.00 C ATOM 2142 C LYS A 138 7.044 1.822 7.601 1.00 0.00 C ATOM 2143 O LYS A 138 7.883 2.704 7.427 1.00 0.00 O ATOM 2144 CB LYS A 138 4.799 2.134 8.795 1.00 0.00 C ATOM 2145 CG LYS A 138 5.494 3.036 9.816 1.00 0.00 C ATOM 2146 CD LYS A 138 4.692 4.318 10.051 1.00 0.00 C ATOM 2147 CE LYS A 138 3.341 4.009 10.697 1.00 0.00 C ATOM 2148 NZ LYS A 138 2.756 5.234 11.287 1.00 0.00 N ATOM 0 H LYS A 138 4.107 0.726 6.888 1.00 0.00 H new ATOM 0 HA LYS A 138 5.471 3.146 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.776 2.477 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.738 1.118 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.614 2.500 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 138 6.494 3.288 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 138 5.259 4.994 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.536 4.833 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.661 3.597 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.466 3.250 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 1.839 5.006 11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.399 5.611 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.619 5.947 10.542 1.00 0.00 H new ATOM 2162 N LYS A 139 7.329 0.566 7.911 1.00 0.00 N ATOM 2163 CA LYS A 139 8.705 0.129 8.074 1.00 0.00 C ATOM 2164 C LYS A 139 9.431 0.234 6.732 1.00 0.00 C ATOM 2165 O LYS A 139 10.609 0.586 6.685 1.00 0.00 O ATOM 2166 CB LYS A 139 8.753 -1.271 8.691 1.00 0.00 C ATOM 2167 CG LYS A 139 9.328 -1.226 10.108 1.00 0.00 C ATOM 2168 CD LYS A 139 10.612 -2.052 10.206 1.00 0.00 C ATOM 2169 CE LYS A 139 11.847 -1.150 10.192 1.00 0.00 C ATOM 2170 NZ LYS A 139 12.224 -0.766 11.571 1.00 0.00 N ATOM 0 H LYS A 139 6.630 -0.163 8.054 1.00 0.00 H new ATOM 0 HA LYS A 139 9.231 0.779 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 139 7.750 -1.696 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.362 -1.926 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 139 9.534 -0.193 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 139 8.591 -1.607 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.599 -2.643 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 139 10.661 -2.755 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.678 -1.668 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.645 -0.256 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.064 -0.154 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.436 -0.253 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.437 -1.621 12.124 1.00 0.00 H new ATOM 2184 N VAL A 140 8.699 -0.077 5.673 1.00 0.00 N ATOM 2185 CA VAL A 140 9.259 -0.021 4.333 1.00 0.00 C ATOM 2186 C VAL A 140 9.774 1.393 4.059 1.00 0.00 C ATOM 2187 O VAL A 140 10.941 1.577 3.715 1.00 0.00 O ATOM 2188 CB VAL A 140 8.219 -0.487 3.312 1.00 0.00 C ATOM 2189 CG1 VAL A 140 8.694 -0.216 1.883 1.00 0.00 C ATOM 2190 CG2 VAL A 140 7.884 -1.967 3.507 1.00 0.00 C ATOM 0 H VAL A 140 7.723 -0.369 5.715 1.00 0.00 H new ATOM 0 HA VAL A 140 10.108 -0.699 4.245 1.00 0.00 H new ATOM 0 HB VAL A 140 7.307 0.087 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.937 -0.557 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.858 0.853 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 140 9.626 -0.752 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.143 -2.273 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.787 -2.564 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.483 -2.120 4.509 1.00 0.00 H new ATOM 2200 N VAL A 141 8.879 2.357 4.221 1.00 0.00 N ATOM 2201 CA VAL A 141 9.229 3.749 3.995 1.00 0.00 C ATOM 2202 C VAL A 141 10.134 4.233 5.129 1.00 0.00 C ATOM 2203 O VAL A 141 11.247 4.696 4.885 1.00 0.00 O ATOM 2204 CB VAL A 141 7.959 4.589 3.842 1.00 0.00 C ATOM 2205 CG1 VAL A 141 8.141 5.975 4.463 1.00 0.00 C ATOM 2206 CG2 VAL A 141 7.546 4.696 2.373 1.00 0.00 C ATOM 0 H VAL A 141 7.912 2.201 4.506 1.00 0.00 H new ATOM 0 HA VAL A 141 9.788 3.857 3.065 1.00 0.00 H new ATOM 0 HB VAL A 141 7.156 4.084 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 141 7.224 6.552 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 141 8.366 5.871 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 141 8.963 6.491 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.641 5.298 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 141 8.347 5.167 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.355 3.699 1.975 1.00 0.00 H new ATOM 2216 N GLU A 142 9.622 4.110 6.345 1.00 0.00 N ATOM 2217 CA GLU A 142 10.370 4.530 7.518 1.00 0.00 C ATOM 2218 C GLU A 142 11.784 3.945 7.483 1.00 0.00 C ATOM 2219 O GLU A 142 12.741 4.602 7.889 1.00 0.00 O ATOM 2220 CB GLU A 142 9.643 4.131 8.804 1.00 0.00 C ATOM 2221 CG GLU A 142 10.243 4.845 10.017 1.00 0.00 C ATOM 2222 CD GLU A 142 10.493 3.863 11.163 1.00 0.00 C ATOM 2223 OE1 GLU A 142 11.418 3.036 11.011 1.00 0.00 O ATOM 2224 OE2 GLU A 142 9.753 3.961 12.165 1.00 0.00 O ATOM 0 H GLU A 142 8.698 3.726 6.543 1.00 0.00 H new ATOM 0 HA GLU A 142 10.447 5.617 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 142 8.585 4.378 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 142 9.709 3.052 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 142 11.180 5.325 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 142 9.568 5.634 10.350 1.00 0.00 H new ATOM 2231 N GLY A 143 11.870 2.717 6.993 1.00 0.00 N ATOM 2232 CA GLY A 143 13.150 2.036 6.900 1.00 0.00 C ATOM 2233 C GLY A 143 14.106 2.791 5.974 1.00 0.00 C ATOM 2234 O GLY A 143 15.121 3.321 6.422 1.00 0.00 O ATOM 0 H GLY A 143 11.074 2.176 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 143 13.592 1.948 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 143 13.001 1.023 6.527 1.00 0.00 H new TER 2238 GLY A 143