USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 62 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0383 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -112:sc= -1.12 USER MOD Single : A 22 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2!) USER MOD Single : A 23 LYS NZ :NH3+ 138:sc= -3.42 (180deg=-6.27!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.254 USER MOD Single : A 41 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.053) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.098) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 134:sc= 0.0966 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 140:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0316) USER MOD Single : A 65 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.28) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.109 F(o=-0.73,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0966) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0728 USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 0.334 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.153 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 80 HIS : no HE2:sc= -1.79! C(o=-1.8!,f=-4.8!) USER MOD Single : A 81 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.94) USER MOD Single : A 95 GLN : amide:sc= -2.08 X(o=-2.1,f=-2) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 21:sc= -1.31! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.520 -23.390 26.885 1.00 0.00 N ATOM 2 CA GLY A 1 6.092 -23.375 26.615 1.00 0.00 C ATOM 3 C GLY A 1 5.577 -21.942 26.466 1.00 0.00 C ATOM 4 O GLY A 1 6.109 -21.020 27.083 1.00 0.00 O ATOM 0 H1 GLY A 1 8.029 -23.729 26.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.839 -22.428 27.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.715 -24.023 27.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.885 -23.936 25.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.560 -23.874 27.425 1.00 0.00 H new ATOM 8 N SER A 2 4.547 -21.799 25.645 1.00 0.00 N ATOM 9 CA SER A 2 3.954 -20.494 25.408 1.00 0.00 C ATOM 10 C SER A 2 2.458 -20.642 25.128 1.00 0.00 C ATOM 11 O SER A 2 2.040 -21.576 24.445 1.00 0.00 O ATOM 12 CB SER A 2 4.644 -19.779 24.244 1.00 0.00 C ATOM 13 OG SER A 2 5.330 -18.605 24.669 1.00 0.00 O ATOM 0 H SER A 2 4.108 -22.566 25.135 1.00 0.00 H new ATOM 0 HA SER A 2 4.091 -19.888 26.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.350 -20.459 23.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.902 -19.513 23.491 1.00 0.00 H new ATOM 0 HG SER A 2 5.758 -18.179 23.897 1.00 0.00 H new ATOM 19 N SER A 3 1.691 -19.708 25.670 1.00 0.00 N ATOM 20 CA SER A 3 0.250 -19.723 25.488 1.00 0.00 C ATOM 21 C SER A 3 -0.153 -18.706 24.418 1.00 0.00 C ATOM 22 O SER A 3 -0.264 -17.514 24.700 1.00 0.00 O ATOM 23 CB SER A 3 -0.475 -19.426 26.802 1.00 0.00 C ATOM 24 OG SER A 3 -1.464 -20.408 27.100 1.00 0.00 O ATOM 0 H SER A 3 2.041 -18.935 26.236 1.00 0.00 H new ATOM 0 HA SER A 3 -0.043 -20.721 25.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.250 -19.384 27.615 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.945 -18.444 26.743 1.00 0.00 H new ATOM 0 HG SER A 3 -1.903 -20.184 27.947 1.00 0.00 H new ATOM 30 N GLY A 4 -0.360 -19.214 23.212 1.00 0.00 N ATOM 31 CA GLY A 4 -0.747 -18.365 22.098 1.00 0.00 C ATOM 32 C GLY A 4 -2.268 -18.211 22.029 1.00 0.00 C ATOM 33 O GLY A 4 -2.985 -18.691 22.906 1.00 0.00 O ATOM 0 H GLY A 4 -0.267 -20.203 22.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.283 -17.384 22.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.378 -18.792 21.165 1.00 0.00 H new ATOM 37 N SER A 5 -2.716 -17.540 20.978 1.00 0.00 N ATOM 38 CA SER A 5 -4.139 -17.318 20.783 1.00 0.00 C ATOM 39 C SER A 5 -4.450 -17.202 19.290 1.00 0.00 C ATOM 40 O SER A 5 -3.559 -17.338 18.453 1.00 0.00 O ATOM 41 CB SER A 5 -4.606 -16.062 21.522 1.00 0.00 C ATOM 42 OG SER A 5 -3.982 -14.884 21.019 1.00 0.00 O ATOM 0 H SER A 5 -2.119 -17.143 20.253 1.00 0.00 H new ATOM 0 HA SER A 5 -4.679 -18.171 21.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.688 -15.967 21.428 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.386 -16.164 22.585 1.00 0.00 H new ATOM 0 HG SER A 5 -4.307 -14.104 21.515 1.00 0.00 H new ATOM 48 N SER A 6 -5.719 -16.951 19.000 1.00 0.00 N ATOM 49 CA SER A 6 -6.159 -16.815 17.622 1.00 0.00 C ATOM 50 C SER A 6 -5.194 -15.912 16.851 1.00 0.00 C ATOM 51 O SER A 6 -5.029 -14.741 17.189 1.00 0.00 O ATOM 52 CB SER A 6 -7.581 -16.254 17.551 1.00 0.00 C ATOM 53 OG SER A 6 -8.155 -16.417 16.257 1.00 0.00 O ATOM 0 H SER A 6 -6.456 -16.838 19.696 1.00 0.00 H new ATOM 0 HA SER A 6 -6.164 -17.805 17.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.206 -16.755 18.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.567 -15.195 17.811 1.00 0.00 H new ATOM 0 HG SER A 6 -9.063 -16.048 16.253 1.00 0.00 H new ATOM 59 N GLY A 7 -4.581 -16.492 15.829 1.00 0.00 N ATOM 60 CA GLY A 7 -3.636 -15.755 15.007 1.00 0.00 C ATOM 61 C GLY A 7 -2.225 -16.330 15.144 1.00 0.00 C ATOM 62 O GLY A 7 -2.056 -17.484 15.533 1.00 0.00 O ATOM 0 H GLY A 7 -4.720 -17.464 15.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.949 -15.794 13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.635 -14.705 15.300 1.00 0.00 H new ATOM 66 N ALA A 8 -1.247 -15.498 14.816 1.00 0.00 N ATOM 67 CA ALA A 8 0.144 -15.910 14.897 1.00 0.00 C ATOM 68 C ALA A 8 1.045 -14.696 14.658 1.00 0.00 C ATOM 69 O ALA A 8 0.677 -13.780 13.924 1.00 0.00 O ATOM 70 CB ALA A 8 0.403 -17.035 13.893 1.00 0.00 C ATOM 0 H ALA A 8 -1.390 -14.541 14.494 1.00 0.00 H new ATOM 0 HA ALA A 8 0.372 -16.300 15.889 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.447 -17.344 13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.241 -17.884 14.124 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.188 -16.680 12.885 1.00 0.00 H new ATOM 76 N THR A 9 2.208 -14.729 15.291 1.00 0.00 N ATOM 77 CA THR A 9 3.165 -13.644 15.156 1.00 0.00 C ATOM 78 C THR A 9 3.458 -13.371 13.679 1.00 0.00 C ATOM 79 O THR A 9 3.887 -14.266 12.953 1.00 0.00 O ATOM 80 CB THR A 9 4.411 -14.009 15.966 1.00 0.00 C ATOM 81 OG1 THR A 9 3.948 -14.059 17.312 1.00 0.00 O ATOM 82 CG2 THR A 9 5.453 -12.889 15.972 1.00 0.00 C ATOM 0 H THR A 9 2.510 -15.490 15.899 1.00 0.00 H new ATOM 0 HA THR A 9 2.764 -12.711 15.552 1.00 0.00 H new ATOM 0 HB THR A 9 4.856 -14.917 15.559 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.692 -14.291 17.906 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.317 -13.199 16.560 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.767 -12.679 14.950 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.019 -11.990 16.410 1.00 0.00 H new ATOM 90 N LEU A 10 3.214 -12.132 13.280 1.00 0.00 N ATOM 91 CA LEU A 10 3.446 -11.730 11.903 1.00 0.00 C ATOM 92 C LEU A 10 2.473 -12.475 10.988 1.00 0.00 C ATOM 93 O LEU A 10 2.695 -13.638 10.654 1.00 0.00 O ATOM 94 CB LEU A 10 4.916 -11.928 11.528 1.00 0.00 C ATOM 95 CG LEU A 10 5.768 -10.658 11.458 1.00 0.00 C ATOM 96 CD1 LEU A 10 6.969 -10.751 12.401 1.00 0.00 C ATOM 97 CD2 LEU A 10 6.191 -10.360 10.019 1.00 0.00 C ATOM 0 H LEU A 10 2.858 -11.393 13.886 1.00 0.00 H new ATOM 0 HA LEU A 10 3.249 -10.665 11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.367 -12.605 12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.959 -12.425 10.559 1.00 0.00 H new ATOM 0 HG LEU A 10 5.159 -9.819 11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.558 -9.836 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.618 -10.880 13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.588 -11.603 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.795 -9.453 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.776 -11.194 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.304 -10.220 9.401 1.00 0.00 H new ATOM 109 N LYS A 11 1.414 -11.775 10.608 1.00 0.00 N ATOM 110 CA LYS A 11 0.405 -12.356 9.738 1.00 0.00 C ATOM 111 C LYS A 11 1.091 -13.017 8.540 1.00 0.00 C ATOM 112 O LYS A 11 2.210 -12.654 8.182 1.00 0.00 O ATOM 113 CB LYS A 11 -0.635 -11.304 9.347 1.00 0.00 C ATOM 114 CG LYS A 11 -0.103 -10.391 8.241 1.00 0.00 C ATOM 115 CD LYS A 11 -0.950 -9.122 8.123 1.00 0.00 C ATOM 116 CE LYS A 11 -0.932 -8.583 6.691 1.00 0.00 C ATOM 117 NZ LYS A 11 -2.289 -8.155 6.282 1.00 0.00 N ATOM 0 H LYS A 11 1.233 -10.811 10.887 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.146 -13.137 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.547 -11.797 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.900 -10.707 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.932 -10.123 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.107 -10.925 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.976 -9.336 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.571 -8.362 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.242 -7.742 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.566 -9.352 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.260 -7.792 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.938 -8.966 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.624 -7.406 6.921 1.00 0.00 H new ATOM 131 N GLN A 12 0.390 -13.977 7.954 1.00 0.00 N ATOM 132 CA GLN A 12 0.917 -14.692 6.804 1.00 0.00 C ATOM 133 C GLN A 12 0.109 -14.351 5.551 1.00 0.00 C ATOM 134 O GLN A 12 -0.960 -14.915 5.325 1.00 0.00 O ATOM 135 CB GLN A 12 0.928 -16.201 7.056 1.00 0.00 C ATOM 136 CG GLN A 12 2.342 -16.695 7.370 1.00 0.00 C ATOM 137 CD GLN A 12 2.348 -18.198 7.656 1.00 0.00 C ATOM 138 OE1 GLN A 12 1.331 -18.803 7.953 1.00 0.00 O ATOM 139 NE2 GLN A 12 3.546 -18.764 7.551 1.00 0.00 N ATOM 0 H GLN A 12 -0.538 -14.276 8.254 1.00 0.00 H new ATOM 0 HA GLN A 12 1.948 -14.376 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.263 -16.439 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.543 -16.722 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.001 -16.479 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.736 -16.156 8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.357 -18.199 7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.655 -19.763 7.723 1.00 0.00 H new ATOM 148 N LEU A 13 0.651 -13.429 4.769 1.00 0.00 N ATOM 149 CA LEU A 13 -0.006 -13.006 3.544 1.00 0.00 C ATOM 150 C LEU A 13 0.797 -13.505 2.341 1.00 0.00 C ATOM 151 O LEU A 13 1.673 -14.356 2.485 1.00 0.00 O ATOM 152 CB LEU A 13 -0.227 -11.492 3.550 1.00 0.00 C ATOM 153 CG LEU A 13 -1.684 -11.027 3.592 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.390 -11.314 2.265 1.00 0.00 C ATOM 155 CD2 LEU A 13 -2.423 -11.648 4.780 1.00 0.00 C ATOM 0 H LEU A 13 1.538 -12.963 4.960 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.999 -13.450 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.292 -11.072 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.242 -11.073 2.660 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.694 -9.946 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.424 -10.974 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.878 -10.787 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.371 -12.386 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.456 -11.301 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.405 -12.734 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.934 -11.351 5.708 1.00 0.00 H new ATOM 167 N ASP A 14 0.469 -12.955 1.181 1.00 0.00 N ATOM 168 CA ASP A 14 1.148 -13.333 -0.046 1.00 0.00 C ATOM 169 C ASP A 14 2.119 -12.222 -0.450 1.00 0.00 C ATOM 170 O ASP A 14 1.758 -11.322 -1.207 1.00 0.00 O ATOM 171 CB ASP A 14 0.151 -13.529 -1.189 1.00 0.00 C ATOM 172 CG ASP A 14 0.109 -14.942 -1.775 1.00 0.00 C ATOM 173 OD1 ASP A 14 0.786 -15.818 -1.195 1.00 0.00 O ATOM 174 OD2 ASP A 14 -0.601 -15.115 -2.790 1.00 0.00 O ATOM 0 H ASP A 14 -0.259 -12.250 1.065 1.00 0.00 H new ATOM 0 HA ASP A 14 1.676 -14.269 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.845 -13.271 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.394 -12.828 -1.987 1.00 0.00 H new ATOM 179 N GLY A 15 3.332 -12.321 0.073 1.00 0.00 N ATOM 180 CA GLY A 15 4.358 -11.335 -0.224 1.00 0.00 C ATOM 181 C GLY A 15 3.843 -9.916 0.027 1.00 0.00 C ATOM 182 O GLY A 15 3.896 -9.066 -0.860 1.00 0.00 O ATOM 0 H GLY A 15 3.628 -13.069 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.237 -11.522 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.672 -11.433 -1.263 1.00 0.00 H new ATOM 186 N ILE A 16 3.358 -9.704 1.242 1.00 0.00 N ATOM 187 CA ILE A 16 2.835 -8.402 1.622 1.00 0.00 C ATOM 188 C ILE A 16 3.597 -7.888 2.845 1.00 0.00 C ATOM 189 O ILE A 16 3.623 -8.544 3.885 1.00 0.00 O ATOM 190 CB ILE A 16 1.320 -8.473 1.826 1.00 0.00 C ATOM 191 CG1 ILE A 16 0.659 -9.323 0.739 1.00 0.00 C ATOM 192 CG2 ILE A 16 0.712 -7.071 1.907 1.00 0.00 C ATOM 193 CD1 ILE A 16 0.656 -8.589 -0.604 1.00 0.00 C ATOM 0 H ILE A 16 3.316 -10.411 1.976 1.00 0.00 H new ATOM 0 HA ILE A 16 2.993 -7.679 0.821 1.00 0.00 H new ATOM 0 HB ILE A 16 1.126 -8.964 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.190 -10.270 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.364 -9.561 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.365 -7.149 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.153 -6.531 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.915 -6.532 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.181 -9.215 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.103 -7.655 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.682 -8.374 -0.904 1.00 0.00 H new ATOM 205 N HIS A 17 4.199 -6.719 2.679 1.00 0.00 N ATOM 206 CA HIS A 17 4.959 -6.110 3.757 1.00 0.00 C ATOM 207 C HIS A 17 4.469 -4.678 3.985 1.00 0.00 C ATOM 208 O HIS A 17 4.456 -3.868 3.059 1.00 0.00 O ATOM 209 CB HIS A 17 6.460 -6.184 3.471 1.00 0.00 C ATOM 210 CG HIS A 17 7.322 -5.591 4.560 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.746 -6.317 5.660 1.00 0.00 N ATOM 212 CD2 HIS A 17 7.836 -4.336 4.706 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.480 -5.524 6.427 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.534 -4.297 5.835 1.00 0.00 N ATOM 0 H HIS A 17 4.176 -6.178 1.815 1.00 0.00 H new ATOM 0 HA HIS A 17 4.796 -6.664 4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.741 -7.227 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.667 -5.666 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.699 -3.513 4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.953 -5.801 7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.029 -3.483 6.199 1.00 0.00 H new ATOM 222 N VAL A 18 4.078 -4.411 5.222 1.00 0.00 N ATOM 223 CA VAL A 18 3.589 -3.091 5.583 1.00 0.00 C ATOM 224 C VAL A 18 4.778 -2.153 5.802 1.00 0.00 C ATOM 225 O VAL A 18 5.828 -2.578 6.280 1.00 0.00 O ATOM 226 CB VAL A 18 2.672 -3.190 6.804 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.278 -1.799 7.308 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.433 -4.032 6.493 1.00 0.00 C ATOM 0 H VAL A 18 4.090 -5.086 5.987 1.00 0.00 H new ATOM 0 HA VAL A 18 2.989 -2.671 4.775 1.00 0.00 H new ATOM 0 HB VAL A 18 3.225 -3.690 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.626 -1.898 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.175 -1.246 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.752 -1.262 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.798 -4.086 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.877 -3.573 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.739 -5.037 6.204 1.00 0.00 H new ATOM 238 N THR A 19 4.572 -0.895 5.442 1.00 0.00 N ATOM 239 CA THR A 19 5.614 0.107 5.594 1.00 0.00 C ATOM 240 C THR A 19 5.080 1.321 6.356 1.00 0.00 C ATOM 241 O THR A 19 4.128 1.964 5.917 1.00 0.00 O ATOM 242 CB THR A 19 6.145 0.450 4.201 1.00 0.00 C ATOM 243 OG1 THR A 19 7.319 -0.348 4.071 1.00 0.00 O ATOM 244 CG2 THR A 19 6.659 1.888 4.108 1.00 0.00 C ATOM 0 H THR A 19 3.699 -0.546 5.046 1.00 0.00 H new ATOM 0 HA THR A 19 6.444 -0.272 6.191 1.00 0.00 H new ATOM 0 HB THR A 19 5.356 0.299 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.108 0.232 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.024 2.079 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.848 2.580 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.471 2.031 4.821 1.00 0.00 H new ATOM 252 N ILE A 20 5.716 1.597 7.485 1.00 0.00 N ATOM 253 CA ILE A 20 5.317 2.722 8.313 1.00 0.00 C ATOM 254 C ILE A 20 6.236 3.911 8.028 1.00 0.00 C ATOM 255 O ILE A 20 7.402 3.908 8.421 1.00 0.00 O ATOM 256 CB ILE A 20 5.277 2.316 9.787 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.211 1.245 10.032 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.080 3.537 10.688 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.804 1.829 9.888 1.00 0.00 C ATOM 0 H ILE A 20 6.505 1.061 7.846 1.00 0.00 H new ATOM 0 HA ILE A 20 4.303 3.035 8.065 1.00 0.00 H new ATOM 0 HB ILE A 20 6.241 1.877 10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.343 0.427 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.334 0.826 11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.055 3.220 11.730 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.904 4.235 10.541 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.140 4.028 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.066 1.047 10.067 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.667 2.631 10.614 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.676 2.225 8.881 1.00 0.00 H new ATOM 271 N LEU A 21 5.678 4.900 7.346 1.00 0.00 N ATOM 272 CA LEU A 21 6.433 6.093 7.003 1.00 0.00 C ATOM 273 C LEU A 21 6.167 7.178 8.049 1.00 0.00 C ATOM 274 O LEU A 21 5.021 7.569 8.265 1.00 0.00 O ATOM 275 CB LEU A 21 6.123 6.531 5.570 1.00 0.00 C ATOM 276 CG LEU A 21 7.300 6.508 4.592 1.00 0.00 C ATOM 277 CD1 LEU A 21 8.190 5.287 4.834 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.811 6.583 3.145 1.00 0.00 C ATOM 0 H LEU A 21 4.711 4.900 7.021 1.00 0.00 H new ATOM 0 HA LEU A 21 7.503 5.885 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.337 5.887 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.721 7.544 5.600 1.00 0.00 H new ATOM 0 HG LEU A 21 7.911 7.392 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.019 5.295 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.581 5.318 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.605 4.378 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.667 6.565 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.165 5.731 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.252 7.507 2.997 1.00 0.00 H new ATOM 290 N HIS A 22 7.245 7.634 8.670 1.00 0.00 N ATOM 291 CA HIS A 22 7.142 8.666 9.687 1.00 0.00 C ATOM 292 C HIS A 22 7.505 10.023 9.081 1.00 0.00 C ATOM 293 O HIS A 22 8.662 10.267 8.744 1.00 0.00 O ATOM 294 CB HIS A 22 7.997 8.314 10.906 1.00 0.00 C ATOM 295 CG HIS A 22 7.887 6.871 11.337 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.139 6.470 12.430 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.437 5.740 10.810 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.243 5.154 12.547 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.048 4.703 11.543 1.00 0.00 N ATOM 0 H HIS A 22 8.194 7.307 8.488 1.00 0.00 H new ATOM 0 HA HIS A 22 6.113 8.729 10.042 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.040 8.537 10.682 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.706 8.954 11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.080 5.695 9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.772 4.545 13.305 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.308 3.730 11.382 1.00 0.00 H new ATOM 307 N LYS A 23 6.494 10.871 8.960 1.00 0.00 N ATOM 308 CA LYS A 23 6.691 12.197 8.400 1.00 0.00 C ATOM 309 C LYS A 23 5.868 13.211 9.197 1.00 0.00 C ATOM 310 O LYS A 23 5.239 12.858 10.194 1.00 0.00 O ATOM 311 CB LYS A 23 6.383 12.197 6.901 1.00 0.00 C ATOM 312 CG LYS A 23 4.874 12.240 6.652 1.00 0.00 C ATOM 313 CD LYS A 23 4.407 10.990 5.903 1.00 0.00 C ATOM 314 CE LYS A 23 2.932 10.700 6.187 1.00 0.00 C ATOM 315 NZ LYS A 23 2.064 11.565 5.356 1.00 0.00 N ATOM 0 H LYS A 23 5.535 10.665 9.241 1.00 0.00 H new ATOM 0 HA LYS A 23 7.736 12.495 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.858 13.057 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.806 11.305 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.347 12.317 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.622 13.130 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.555 11.127 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.014 10.135 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.715 9.652 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.719 10.868 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.269 11.006 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.698 12.348 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.615 11.950 4.563 1.00 0.00 H new ATOM 329 N GLU A 24 5.899 14.450 8.729 1.00 0.00 N ATOM 330 CA GLU A 24 5.164 15.517 9.386 1.00 0.00 C ATOM 331 C GLU A 24 3.748 15.616 8.814 1.00 0.00 C ATOM 332 O GLU A 24 3.440 14.992 7.800 1.00 0.00 O ATOM 333 CB GLU A 24 5.902 16.851 9.257 1.00 0.00 C ATOM 334 CG GLU A 24 5.168 17.794 8.302 1.00 0.00 C ATOM 335 CD GLU A 24 6.023 19.020 7.977 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.959 18.860 7.165 1.00 0.00 O ATOM 337 OE2 GLU A 24 5.721 20.090 8.548 1.00 0.00 O ATOM 0 H GLU A 24 6.422 14.739 7.902 1.00 0.00 H new ATOM 0 HA GLU A 24 5.090 15.281 10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.991 17.318 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.915 16.677 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.920 17.265 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.227 18.111 8.751 1.00 0.00 H new ATOM 344 N GLU A 25 2.926 16.405 9.489 1.00 0.00 N ATOM 345 CA GLU A 25 1.550 16.594 9.060 1.00 0.00 C ATOM 346 C GLU A 25 1.505 17.391 7.755 1.00 0.00 C ATOM 347 O GLU A 25 1.637 18.614 7.765 1.00 0.00 O ATOM 348 CB GLU A 25 0.726 17.281 10.151 1.00 0.00 C ATOM 349 CG GLU A 25 0.003 16.252 11.023 1.00 0.00 C ATOM 350 CD GLU A 25 -0.365 16.848 12.383 1.00 0.00 C ATOM 351 OE1 GLU A 25 0.543 16.910 13.240 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.546 17.228 12.535 1.00 0.00 O ATOM 0 H GLU A 25 3.186 16.921 10.330 1.00 0.00 H new ATOM 0 HA GLU A 25 1.108 15.614 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.378 17.895 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.002 17.951 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.899 15.910 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.640 15.379 11.165 1.00 0.00 H new ATOM 359 N GLY A 26 1.319 16.665 6.662 1.00 0.00 N ATOM 360 CA GLY A 26 1.255 17.289 5.352 1.00 0.00 C ATOM 361 C GLY A 26 2.612 17.225 4.647 1.00 0.00 C ATOM 362 O GLY A 26 2.775 17.770 3.557 1.00 0.00 O ATOM 0 H GLY A 26 1.211 15.651 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.501 16.789 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.943 18.328 5.455 1.00 0.00 H new ATOM 366 N ALA A 27 3.550 16.555 5.300 1.00 0.00 N ATOM 367 CA ALA A 27 4.888 16.413 4.750 1.00 0.00 C ATOM 368 C ALA A 27 4.820 15.589 3.462 1.00 0.00 C ATOM 369 O ALA A 27 5.596 15.815 2.535 1.00 0.00 O ATOM 370 CB ALA A 27 5.807 15.783 5.798 1.00 0.00 C ATOM 0 H ALA A 27 3.410 16.105 6.204 1.00 0.00 H new ATOM 0 HA ALA A 27 5.304 17.388 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.810 15.677 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.844 16.421 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.423 14.801 6.076 1.00 0.00 H new ATOM 376 N GLY A 28 3.886 14.650 3.447 1.00 0.00 N ATOM 377 CA GLY A 28 3.707 13.791 2.288 1.00 0.00 C ATOM 378 C GLY A 28 4.516 12.501 2.433 1.00 0.00 C ATOM 379 O GLY A 28 5.409 12.415 3.275 1.00 0.00 O ATOM 0 H GLY A 28 3.245 14.465 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.651 13.551 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.017 14.320 1.387 1.00 0.00 H new ATOM 383 N LEU A 29 4.176 11.530 1.598 1.00 0.00 N ATOM 384 CA LEU A 29 4.860 10.249 1.622 1.00 0.00 C ATOM 385 C LEU A 29 6.086 10.313 0.709 1.00 0.00 C ATOM 386 O LEU A 29 7.140 9.771 1.040 1.00 0.00 O ATOM 387 CB LEU A 29 3.891 9.118 1.271 1.00 0.00 C ATOM 388 CG LEU A 29 2.433 9.330 1.686 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.565 8.142 1.268 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.326 9.619 3.185 1.00 0.00 C ATOM 0 H LEU A 29 3.436 11.605 0.901 1.00 0.00 H new ATOM 0 HA LEU A 29 5.221 10.029 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.922 8.961 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.251 8.201 1.737 1.00 0.00 H new ATOM 0 HG LEU A 29 2.053 10.206 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.534 8.319 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.606 8.025 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.935 7.235 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.280 9.766 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.730 8.778 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.891 10.520 3.423 1.00 0.00 H new ATOM 402 N GLY A 30 5.908 10.980 -0.422 1.00 0.00 N ATOM 403 CA GLY A 30 6.987 11.121 -1.385 1.00 0.00 C ATOM 404 C GLY A 30 6.618 10.474 -2.721 1.00 0.00 C ATOM 405 O GLY A 30 7.388 10.535 -3.678 1.00 0.00 O ATOM 0 H GLY A 30 5.033 11.429 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.207 12.178 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.893 10.660 -0.992 1.00 0.00 H new ATOM 409 N PHE A 31 5.440 9.869 -2.743 1.00 0.00 N ATOM 410 CA PHE A 31 4.959 9.211 -3.946 1.00 0.00 C ATOM 411 C PHE A 31 3.472 9.494 -4.170 1.00 0.00 C ATOM 412 O PHE A 31 2.794 10.008 -3.281 1.00 0.00 O ATOM 413 CB PHE A 31 5.155 7.707 -3.742 1.00 0.00 C ATOM 414 CG PHE A 31 4.124 7.066 -2.810 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.248 7.202 -1.463 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.083 6.361 -3.330 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.292 6.607 -0.598 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.127 5.767 -2.465 1.00 0.00 C ATOM 419 CZ PHE A 31 2.251 5.902 -1.118 1.00 0.00 C ATOM 0 H PHE A 31 4.804 9.820 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 31 5.505 9.579 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.112 7.211 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.152 7.532 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.074 7.763 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.984 6.253 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.391 6.714 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.300 5.207 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.523 5.450 -0.461 1.00 0.00 H new ATOM 429 N SER A 32 3.009 9.146 -5.361 1.00 0.00 N ATOM 430 CA SER A 32 1.615 9.357 -5.713 1.00 0.00 C ATOM 431 C SER A 32 0.964 8.025 -6.091 1.00 0.00 C ATOM 432 O SER A 32 1.632 6.993 -6.135 1.00 0.00 O ATOM 433 CB SER A 32 1.482 10.358 -6.862 1.00 0.00 C ATOM 434 OG SER A 32 0.126 10.530 -7.266 1.00 0.00 O ATOM 0 H SER A 32 3.574 8.719 -6.095 1.00 0.00 H new ATOM 0 HA SER A 32 1.102 9.772 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.893 11.319 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.073 10.015 -7.712 1.00 0.00 H new ATOM 0 HG SER A 32 0.083 11.178 -8.000 1.00 0.00 H new ATOM 440 N LEU A 33 -0.333 8.090 -6.353 1.00 0.00 N ATOM 441 CA LEU A 33 -1.082 6.902 -6.726 1.00 0.00 C ATOM 442 C LEU A 33 -1.281 6.885 -8.243 1.00 0.00 C ATOM 443 O LEU A 33 -1.215 7.927 -8.893 1.00 0.00 O ATOM 444 CB LEU A 33 -2.388 6.821 -5.933 1.00 0.00 C ATOM 445 CG LEU A 33 -2.246 6.758 -4.411 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.462 6.082 -3.775 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.936 6.077 -4.011 1.00 0.00 C ATOM 0 H LEU A 33 -0.885 8.947 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.523 6.003 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.998 7.689 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.937 5.939 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.208 7.778 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.336 6.050 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.362 6.647 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.556 5.066 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.860 6.045 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.919 5.061 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.095 6.639 -4.417 1.00 0.00 H new ATOM 459 N ALA A 34 -1.522 5.690 -8.763 1.00 0.00 N ATOM 460 CA ALA A 34 -1.732 5.524 -10.191 1.00 0.00 C ATOM 461 C ALA A 34 -2.792 4.446 -10.424 1.00 0.00 C ATOM 462 O ALA A 34 -2.947 3.536 -9.611 1.00 0.00 O ATOM 463 CB ALA A 34 -0.401 5.189 -10.867 1.00 0.00 C ATOM 0 H ALA A 34 -1.576 4.828 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.099 6.449 -10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.558 5.064 -11.938 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.308 5.999 -10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.003 4.264 -10.449 1.00 0.00 H new ATOM 469 N GLY A 35 -3.495 4.584 -11.539 1.00 0.00 N ATOM 470 CA GLY A 35 -4.536 3.633 -11.889 1.00 0.00 C ATOM 471 C GLY A 35 -5.858 3.991 -11.207 1.00 0.00 C ATOM 472 O GLY A 35 -5.917 4.930 -10.415 1.00 0.00 O ATOM 0 H GLY A 35 -3.364 5.340 -12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.673 3.620 -12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.231 2.629 -11.594 1.00 0.00 H new ATOM 476 N GLY A 36 -6.886 3.223 -11.539 1.00 0.00 N ATOM 477 CA GLY A 36 -8.203 3.447 -10.968 1.00 0.00 C ATOM 478 C GLY A 36 -9.163 2.317 -11.344 1.00 0.00 C ATOM 479 O GLY A 36 -8.768 1.355 -12.002 1.00 0.00 O ATOM 0 H GLY A 36 -6.833 2.445 -12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.126 3.517 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.600 4.399 -11.322 1.00 0.00 H new ATOM 483 N ALA A 37 -10.405 2.471 -10.910 1.00 0.00 N ATOM 484 CA ALA A 37 -11.425 1.475 -11.193 1.00 0.00 C ATOM 485 C ALA A 37 -11.939 1.669 -12.621 1.00 0.00 C ATOM 486 O ALA A 37 -12.036 0.710 -13.385 1.00 0.00 O ATOM 487 CB ALA A 37 -12.542 1.578 -10.152 1.00 0.00 C ATOM 0 H ALA A 37 -10.728 3.270 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.009 0.470 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.307 0.831 -10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.130 1.403 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.985 2.573 -10.191 1.00 0.00 H new ATOM 493 N ASP A 38 -12.256 2.916 -12.937 1.00 0.00 N ATOM 494 CA ASP A 38 -12.758 3.247 -14.260 1.00 0.00 C ATOM 495 C ASP A 38 -11.612 3.168 -15.270 1.00 0.00 C ATOM 496 O ASP A 38 -11.833 3.277 -16.475 1.00 0.00 O ATOM 497 CB ASP A 38 -13.321 4.669 -14.294 1.00 0.00 C ATOM 498 CG ASP A 38 -13.918 5.096 -15.637 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.398 4.194 -16.357 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.879 6.315 -15.914 1.00 0.00 O ATOM 0 H ASP A 38 -12.175 3.709 -12.300 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.549 2.539 -14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.090 4.758 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.525 5.365 -14.029 1.00 0.00 H new ATOM 505 N LEU A 39 -10.411 2.980 -14.742 1.00 0.00 N ATOM 506 CA LEU A 39 -9.230 2.885 -15.583 1.00 0.00 C ATOM 507 C LEU A 39 -8.977 1.418 -15.935 1.00 0.00 C ATOM 508 O LEU A 39 -9.833 0.565 -15.708 1.00 0.00 O ATOM 509 CB LEU A 39 -8.038 3.571 -14.912 1.00 0.00 C ATOM 510 CG LEU A 39 -8.204 5.063 -14.613 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.488 5.325 -13.824 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.969 5.620 -13.901 1.00 0.00 C ATOM 0 H LEU A 39 -10.231 2.891 -13.742 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.387 3.416 -16.522 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.827 3.054 -13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.164 3.444 -15.551 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.296 5.593 -15.561 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.581 6.393 -13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.347 4.988 -14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.452 4.782 -12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.113 6.682 -13.700 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.821 5.089 -12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.092 5.486 -14.535 1.00 0.00 H new ATOM 524 N GLU A 40 -7.796 1.170 -16.484 1.00 0.00 N ATOM 525 CA GLU A 40 -7.420 -0.179 -16.870 1.00 0.00 C ATOM 526 C GLU A 40 -6.790 -0.914 -15.685 1.00 0.00 C ATOM 527 O GLU A 40 -6.778 -2.144 -15.648 1.00 0.00 O ATOM 528 CB GLU A 40 -6.471 -0.161 -18.070 1.00 0.00 C ATOM 529 CG GLU A 40 -7.181 0.356 -19.323 1.00 0.00 C ATOM 530 CD GLU A 40 -7.135 -0.681 -20.447 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.103 -1.382 -20.530 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.132 -0.749 -21.198 1.00 0.00 O ATOM 0 H GLU A 40 -7.088 1.880 -16.670 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.321 -0.715 -17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.611 0.471 -17.848 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.090 -1.166 -18.252 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.218 0.594 -19.086 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.710 1.280 -19.657 1.00 0.00 H new ATOM 539 N ASN A 41 -6.284 -0.130 -14.745 1.00 0.00 N ATOM 540 CA ASN A 41 -5.654 -0.691 -13.561 1.00 0.00 C ATOM 541 C ASN A 41 -6.646 -0.657 -12.397 1.00 0.00 C ATOM 542 O ASN A 41 -6.662 0.296 -11.618 1.00 0.00 O ATOM 543 CB ASN A 41 -4.421 0.119 -13.156 1.00 0.00 C ATOM 544 CG ASN A 41 -3.260 -0.132 -14.120 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.845 -1.255 -14.354 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.760 0.974 -14.664 1.00 0.00 N ATOM 0 H ASN A 41 -6.297 0.889 -14.779 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.353 -1.713 -13.791 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.666 1.181 -13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.122 -0.149 -12.143 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.982 0.913 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.155 1.884 -14.425 1.00 0.00 H new ATOM 553 N LYS A 42 -7.450 -1.707 -12.314 1.00 0.00 N ATOM 554 CA LYS A 42 -8.442 -1.808 -11.258 1.00 0.00 C ATOM 555 C LYS A 42 -7.763 -1.596 -9.903 1.00 0.00 C ATOM 556 O LYS A 42 -8.361 -1.036 -8.986 1.00 0.00 O ATOM 557 CB LYS A 42 -9.203 -3.131 -11.363 1.00 0.00 C ATOM 558 CG LYS A 42 -10.372 -3.172 -10.377 1.00 0.00 C ATOM 559 CD LYS A 42 -11.554 -2.348 -10.892 1.00 0.00 C ATOM 560 CE LYS A 42 -12.505 -1.980 -9.752 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.578 -2.992 -9.626 1.00 0.00 N ATOM 0 H LYS A 42 -7.434 -2.495 -12.961 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.192 -1.025 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.575 -3.261 -12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.525 -3.961 -11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.685 -4.205 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.050 -2.787 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.187 -1.440 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.093 -2.914 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.951 -1.910 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.942 -0.999 -9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.215 -2.727 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.117 -3.039 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.157 -3.922 -9.428 1.00 0.00 H new ATOM 575 N VAL A 43 -6.522 -2.054 -9.821 1.00 0.00 N ATOM 576 CA VAL A 43 -5.755 -1.922 -8.595 1.00 0.00 C ATOM 577 C VAL A 43 -4.771 -0.758 -8.736 1.00 0.00 C ATOM 578 O VAL A 43 -3.872 -0.800 -9.574 1.00 0.00 O ATOM 579 CB VAL A 43 -5.068 -3.248 -8.261 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.161 -3.699 -9.407 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.286 -3.145 -6.950 1.00 0.00 C ATOM 0 H VAL A 43 -6.029 -2.517 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.413 -1.692 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.843 -4.004 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.685 -4.644 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.755 -3.832 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.395 -2.944 -9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.807 -4.101 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.525 -2.370 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.968 -2.891 -6.139 1.00 0.00 H new ATOM 591 N ILE A 44 -4.977 0.253 -7.905 1.00 0.00 N ATOM 592 CA ILE A 44 -4.119 1.426 -7.928 1.00 0.00 C ATOM 593 C ILE A 44 -2.678 1.004 -7.635 1.00 0.00 C ATOM 594 O ILE A 44 -2.443 0.084 -6.853 1.00 0.00 O ATOM 595 CB ILE A 44 -4.652 2.497 -6.974 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.820 3.259 -7.604 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.531 3.436 -6.523 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.041 2.352 -7.770 1.00 0.00 C ATOM 0 H ILE A 44 -5.725 0.284 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.123 1.882 -8.918 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.035 2.001 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.080 4.114 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.520 3.653 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.936 4.188 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.760 2.862 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.096 3.928 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.857 2.918 -8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.785 1.511 -8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.353 1.980 -6.794 1.00 0.00 H new ATOM 610 N THR A 45 -1.750 1.697 -8.279 1.00 0.00 N ATOM 611 CA THR A 45 -0.338 1.406 -8.098 1.00 0.00 C ATOM 612 C THR A 45 0.446 2.697 -7.858 1.00 0.00 C ATOM 613 O THR A 45 -0.095 3.792 -8.003 1.00 0.00 O ATOM 614 CB THR A 45 0.143 0.620 -9.319 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.546 1.220 -10.412 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.351 -0.828 -9.316 1.00 0.00 C ATOM 0 H THR A 45 -1.949 2.459 -8.927 1.00 0.00 H new ATOM 0 HA THR A 45 -0.171 0.793 -7.213 1.00 0.00 H new ATOM 0 HB THR A 45 1.232 0.631 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.291 0.772 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.019 -1.340 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.017 -1.336 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.441 -0.841 -9.317 1.00 0.00 H new ATOM 624 N VAL A 46 1.709 2.526 -7.496 1.00 0.00 N ATOM 625 CA VAL A 46 2.574 3.665 -7.235 1.00 0.00 C ATOM 626 C VAL A 46 2.930 4.343 -8.559 1.00 0.00 C ATOM 627 O VAL A 46 3.795 3.866 -9.292 1.00 0.00 O ATOM 628 CB VAL A 46 3.803 3.217 -6.443 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.673 4.416 -6.057 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.396 2.414 -5.206 1.00 0.00 C ATOM 0 H VAL A 46 2.154 1.616 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 46 2.059 4.403 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 46 4.396 2.565 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.540 4.070 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.006 4.929 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.093 5.104 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.289 2.108 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.771 3.031 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.838 1.530 -5.514 1.00 0.00 H new ATOM 640 N HIS A 47 2.245 5.446 -8.826 1.00 0.00 N ATOM 641 CA HIS A 47 2.478 6.194 -10.049 1.00 0.00 C ATOM 642 C HIS A 47 3.966 6.533 -10.167 1.00 0.00 C ATOM 643 O HIS A 47 4.627 6.119 -11.118 1.00 0.00 O ATOM 644 CB HIS A 47 1.582 7.433 -10.107 1.00 0.00 C ATOM 645 CG HIS A 47 1.622 8.158 -11.431 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.813 9.244 -11.715 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.383 7.943 -12.542 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.082 9.656 -12.946 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.055 8.848 -13.457 1.00 0.00 N ATOM 0 H HIS A 47 1.529 5.839 -8.216 1.00 0.00 H new ATOM 0 HA HIS A 47 2.210 5.582 -10.910 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.554 7.136 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.881 8.123 -9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.126 7.168 -12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.613 10.485 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.463 8.926 -14.388 1.00 0.00 H new ATOM 657 N ARG A 48 4.449 7.283 -9.187 1.00 0.00 N ATOM 658 CA ARG A 48 5.846 7.682 -9.170 1.00 0.00 C ATOM 659 C ARG A 48 6.324 7.878 -7.730 1.00 0.00 C ATOM 660 O ARG A 48 5.516 8.102 -6.829 1.00 0.00 O ATOM 661 CB ARG A 48 6.058 8.980 -9.952 1.00 0.00 C ATOM 662 CG ARG A 48 6.854 8.725 -11.233 1.00 0.00 C ATOM 663 CD ARG A 48 5.938 8.740 -12.459 1.00 0.00 C ATOM 664 NE ARG A 48 6.750 8.718 -13.697 1.00 0.00 N ATOM 665 CZ ARG A 48 6.310 9.139 -14.891 1.00 0.00 C ATOM 666 NH1 ARG A 48 5.064 9.615 -15.016 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.116 9.082 -15.960 1.00 0.00 N ATOM 0 H ARG A 48 3.898 7.625 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 48 6.424 6.888 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.093 9.420 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.586 9.702 -9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.627 9.486 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.361 7.763 -11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.271 7.878 -12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.309 9.630 -12.442 1.00 0.00 H new ATOM 0 HE ARG A 48 7.703 8.360 -13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.450 9.657 -14.202 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.729 9.935 -15.925 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.064 8.718 -15.865 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.781 9.402 -16.869 1.00 0.00 H new ATOM 681 N VAL A 49 7.634 7.787 -7.557 1.00 0.00 N ATOM 682 CA VAL A 49 8.229 7.952 -6.242 1.00 0.00 C ATOM 683 C VAL A 49 9.276 9.067 -6.296 1.00 0.00 C ATOM 684 O VAL A 49 10.402 8.844 -6.738 1.00 0.00 O ATOM 685 CB VAL A 49 8.800 6.619 -5.755 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.175 6.691 -4.273 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.819 5.474 -6.017 1.00 0.00 C ATOM 0 H VAL A 49 8.301 7.601 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 49 7.473 8.251 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 49 9.709 6.418 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.578 5.730 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.926 7.467 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.288 6.927 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.249 4.538 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.885 5.667 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.623 5.400 -7.087 1.00 0.00 H new ATOM 697 N PHE A 50 8.867 10.242 -5.841 1.00 0.00 N ATOM 698 CA PHE A 50 9.756 11.391 -5.833 1.00 0.00 C ATOM 699 C PHE A 50 11.167 10.990 -5.398 1.00 0.00 C ATOM 700 O PHE A 50 11.343 10.013 -4.672 1.00 0.00 O ATOM 701 CB PHE A 50 9.188 12.389 -4.821 1.00 0.00 C ATOM 702 CG PHE A 50 7.709 12.717 -5.035 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.104 12.397 -6.210 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.998 13.327 -4.048 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.731 12.702 -6.408 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.626 13.632 -4.246 1.00 0.00 C ATOM 707 CZ PHE A 50 5.021 13.313 -5.422 1.00 0.00 C ATOM 0 H PHE A 50 7.932 10.423 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 50 9.821 11.818 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.319 11.987 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.766 13.312 -4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.668 11.911 -6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.478 13.579 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.251 12.449 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.062 14.117 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.977 13.545 -5.573 1.00 0.00 H new ATOM 717 N PRO A 51 12.163 11.786 -5.873 1.00 0.00 N ATOM 718 CA PRO A 51 13.553 11.524 -5.541 1.00 0.00 C ATOM 719 C PRO A 51 13.860 11.939 -4.101 1.00 0.00 C ATOM 720 O PRO A 51 14.753 11.379 -3.466 1.00 0.00 O ATOM 721 CB PRO A 51 14.357 12.303 -6.568 1.00 0.00 C ATOM 722 CG PRO A 51 13.404 13.338 -7.145 1.00 0.00 C ATOM 723 CD PRO A 51 11.992 12.952 -6.735 1.00 0.00 C ATOM 0 HA PRO A 51 13.802 10.464 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.221 12.782 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.737 11.644 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.651 14.333 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.490 13.373 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.496 13.766 -6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.378 12.716 -7.604 1.00 0.00 H new ATOM 731 N ASN A 52 13.103 12.918 -3.626 1.00 0.00 N ATOM 732 CA ASN A 52 13.284 13.415 -2.273 1.00 0.00 C ATOM 733 C ASN A 52 12.013 13.149 -1.463 1.00 0.00 C ATOM 734 O ASN A 52 11.143 14.014 -1.365 1.00 0.00 O ATOM 735 CB ASN A 52 13.540 14.923 -2.270 1.00 0.00 C ATOM 736 CG ASN A 52 14.667 15.290 -3.237 1.00 0.00 C ATOM 737 OD1 ASN A 52 14.449 15.830 -4.309 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.881 14.966 -2.801 1.00 0.00 N ATOM 0 H ASN A 52 12.363 13.380 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 52 14.142 12.903 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.629 15.451 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.799 15.249 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.700 15.168 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.993 14.515 -1.893 1.00 0.00 H new ATOM 745 N GLY A 53 11.946 11.951 -0.903 1.00 0.00 N ATOM 746 CA GLY A 53 10.796 11.561 -0.105 1.00 0.00 C ATOM 747 C GLY A 53 11.137 10.382 0.809 1.00 0.00 C ATOM 748 O GLY A 53 12.275 9.915 0.828 1.00 0.00 O ATOM 0 H GLY A 53 12.670 11.237 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.462 12.407 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.969 11.290 -0.761 1.00 0.00 H new ATOM 752 N LEU A 54 10.130 9.934 1.544 1.00 0.00 N ATOM 753 CA LEU A 54 10.309 8.819 2.458 1.00 0.00 C ATOM 754 C LEU A 54 10.105 7.506 1.700 1.00 0.00 C ATOM 755 O LEU A 54 10.905 6.580 1.826 1.00 0.00 O ATOM 756 CB LEU A 54 9.398 8.973 3.677 1.00 0.00 C ATOM 757 CG LEU A 54 9.408 10.346 4.353 1.00 0.00 C ATOM 758 CD1 LEU A 54 8.030 11.006 4.275 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.915 10.245 5.793 1.00 0.00 C ATOM 0 H LEU A 54 9.187 10.323 1.525 1.00 0.00 H new ATOM 0 HA LEU A 54 11.326 8.807 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.376 8.747 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.683 8.224 4.416 1.00 0.00 H new ATOM 0 HG LEU A 54 10.103 10.988 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.065 11.980 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.746 11.133 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.296 10.375 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.912 11.235 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.265 9.581 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.930 9.848 5.794 1.00 0.00 H new ATOM 771 N ALA A 55 9.028 7.467 0.929 1.00 0.00 N ATOM 772 CA ALA A 55 8.708 6.282 0.150 1.00 0.00 C ATOM 773 C ALA A 55 9.956 5.821 -0.605 1.00 0.00 C ATOM 774 O ALA A 55 10.112 4.634 -0.887 1.00 0.00 O ATOM 775 CB ALA A 55 7.539 6.589 -0.789 1.00 0.00 C ATOM 0 H ALA A 55 8.366 8.236 0.827 1.00 0.00 H new ATOM 0 HA ALA A 55 8.397 5.466 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.299 5.701 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.669 6.884 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.816 7.401 -1.461 1.00 0.00 H new ATOM 781 N SER A 56 10.813 6.784 -0.911 1.00 0.00 N ATOM 782 CA SER A 56 12.043 6.491 -1.628 1.00 0.00 C ATOM 783 C SER A 56 13.107 5.979 -0.655 1.00 0.00 C ATOM 784 O SER A 56 13.876 5.079 -0.988 1.00 0.00 O ATOM 785 CB SER A 56 12.554 7.726 -2.372 1.00 0.00 C ATOM 786 OG SER A 56 12.868 7.439 -3.732 1.00 0.00 O ATOM 0 H SER A 56 10.680 7.768 -0.676 1.00 0.00 H new ATOM 0 HA SER A 56 11.833 5.717 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.799 8.511 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.441 8.111 -1.869 1.00 0.00 H new ATOM 0 HG SER A 56 12.487 8.133 -4.309 1.00 0.00 H new ATOM 792 N GLN A 57 13.116 6.575 0.529 1.00 0.00 N ATOM 793 CA GLN A 57 14.073 6.190 1.552 1.00 0.00 C ATOM 794 C GLN A 57 13.848 4.735 1.970 1.00 0.00 C ATOM 795 O GLN A 57 14.799 3.964 2.082 1.00 0.00 O ATOM 796 CB GLN A 57 13.990 7.126 2.760 1.00 0.00 C ATOM 797 CG GLN A 57 14.900 8.342 2.575 1.00 0.00 C ATOM 798 CD GLN A 57 15.714 8.615 3.841 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.342 9.409 4.690 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.842 7.916 3.921 1.00 0.00 N ATOM 0 H GLN A 57 12.476 7.321 0.802 1.00 0.00 H new ATOM 0 HA GLN A 57 15.076 6.276 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.960 7.456 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.277 6.587 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.573 8.172 1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.298 9.217 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.094 7.268 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.455 8.028 4.728 1.00 0.00 H new ATOM 809 N GLU A 58 12.583 4.405 2.189 1.00 0.00 N ATOM 810 CA GLU A 58 12.221 3.057 2.592 1.00 0.00 C ATOM 811 C GLU A 58 12.632 2.052 1.513 1.00 0.00 C ATOM 812 O GLU A 58 13.244 1.028 1.814 1.00 0.00 O ATOM 813 CB GLU A 58 10.724 2.957 2.892 1.00 0.00 C ATOM 814 CG GLU A 58 10.477 2.220 4.210 1.00 0.00 C ATOM 815 CD GLU A 58 11.023 0.792 4.150 1.00 0.00 C ATOM 816 OE1 GLU A 58 12.244 0.642 4.371 1.00 0.00 O ATOM 817 OE2 GLU A 58 10.207 -0.117 3.884 1.00 0.00 O ATOM 0 H GLU A 58 11.797 5.048 2.095 1.00 0.00 H new ATOM 0 HA GLU A 58 12.759 2.817 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.292 3.957 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.221 2.434 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.953 2.761 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.408 2.196 4.423 1.00 0.00 H new ATOM 824 N GLY A 59 12.279 2.380 0.279 1.00 0.00 N ATOM 825 CA GLY A 59 12.603 1.520 -0.846 1.00 0.00 C ATOM 826 C GLY A 59 11.559 0.413 -1.008 1.00 0.00 C ATOM 827 O GLY A 59 11.748 -0.513 -1.796 1.00 0.00 O ATOM 0 H GLY A 59 11.771 3.230 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.654 2.113 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.588 1.077 -0.698 1.00 0.00 H new ATOM 831 N THR A 60 10.481 0.544 -0.249 1.00 0.00 N ATOM 832 CA THR A 60 9.407 -0.433 -0.299 1.00 0.00 C ATOM 833 C THR A 60 8.392 -0.056 -1.379 1.00 0.00 C ATOM 834 O THR A 60 8.008 -0.893 -2.195 1.00 0.00 O ATOM 835 CB THR A 60 8.796 -0.536 1.100 1.00 0.00 C ATOM 836 OG1 THR A 60 9.602 -1.507 1.761 1.00 0.00 O ATOM 837 CG2 THR A 60 7.399 -1.159 1.085 1.00 0.00 C ATOM 0 H THR A 60 10.328 1.312 0.404 1.00 0.00 H new ATOM 0 HA THR A 60 9.781 -1.418 -0.579 1.00 0.00 H new ATOM 0 HB THR A 60 8.746 0.457 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.756 -1.228 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.012 -1.209 2.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.735 -0.548 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.454 -2.165 0.668 1.00 0.00 H new ATOM 845 N ILE A 61 7.986 1.205 -1.350 1.00 0.00 N ATOM 846 CA ILE A 61 7.023 1.703 -2.318 1.00 0.00 C ATOM 847 C ILE A 61 7.766 2.213 -3.554 1.00 0.00 C ATOM 848 O ILE A 61 8.173 3.372 -3.605 1.00 0.00 O ATOM 849 CB ILE A 61 6.110 2.749 -1.674 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.570 2.254 -0.331 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.987 3.157 -2.629 1.00 0.00 C ATOM 852 CD1 ILE A 61 5.172 3.427 0.566 1.00 0.00 C ATOM 0 H ILE A 61 8.306 1.896 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 61 6.365 0.900 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 61 6.702 3.642 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.707 1.610 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.327 1.650 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.352 3.901 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.417 3.580 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.390 2.281 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.791 3.047 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.043 4.056 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.397 4.015 0.074 1.00 0.00 H new ATOM 864 N GLN A 62 7.920 1.321 -4.522 1.00 0.00 N ATOM 865 CA GLN A 62 8.606 1.665 -5.755 1.00 0.00 C ATOM 866 C GLN A 62 7.606 1.772 -6.908 1.00 0.00 C ATOM 867 O GLN A 62 6.746 0.907 -7.070 1.00 0.00 O ATOM 868 CB GLN A 62 9.704 0.648 -6.074 1.00 0.00 C ATOM 869 CG GLN A 62 10.939 0.883 -5.203 1.00 0.00 C ATOM 870 CD GLN A 62 11.958 -0.245 -5.379 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.835 -0.198 -6.226 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.793 -1.259 -4.534 1.00 0.00 N ATOM 0 H GLN A 62 7.581 0.360 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 62 9.083 2.636 -5.623 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.327 -0.362 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.978 0.721 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.398 1.836 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.643 0.950 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.038 -1.234 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.422 -2.061 -4.571 1.00 0.00 H new ATOM 881 N LYS A 63 7.751 2.839 -7.679 1.00 0.00 N ATOM 882 CA LYS A 63 6.871 3.070 -8.812 1.00 0.00 C ATOM 883 C LYS A 63 6.561 1.734 -9.491 1.00 0.00 C ATOM 884 O LYS A 63 7.464 0.940 -9.748 1.00 0.00 O ATOM 885 CB LYS A 63 7.473 4.114 -9.754 1.00 0.00 C ATOM 886 CG LYS A 63 7.970 3.464 -11.047 1.00 0.00 C ATOM 887 CD LYS A 63 8.897 4.409 -11.815 1.00 0.00 C ATOM 888 CE LYS A 63 10.321 4.350 -11.259 1.00 0.00 C ATOM 889 NZ LYS A 63 11.018 3.138 -11.745 1.00 0.00 N ATOM 0 H LYS A 63 8.465 3.554 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 63 5.921 3.487 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.726 4.872 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.299 4.623 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.499 2.540 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.119 3.195 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.903 4.139 -12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.519 5.429 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.873 5.240 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.292 4.348 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.020 3.181 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.580 2.294 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.944 3.087 -12.781 1.00 0.00 H new ATOM 903 N GLY A 64 5.280 1.529 -9.762 1.00 0.00 N ATOM 904 CA GLY A 64 4.839 0.303 -10.407 1.00 0.00 C ATOM 905 C GLY A 64 4.312 -0.699 -9.378 1.00 0.00 C ATOM 906 O GLY A 64 3.496 -1.559 -9.705 1.00 0.00 O ATOM 0 H GLY A 64 4.534 2.190 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.057 0.530 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.668 -0.140 -10.960 1.00 0.00 H new ATOM 910 N ASN A 65 4.800 -0.554 -8.154 1.00 0.00 N ATOM 911 CA ASN A 65 4.389 -1.435 -7.075 1.00 0.00 C ATOM 912 C ASN A 65 2.861 -1.505 -7.034 1.00 0.00 C ATOM 913 O ASN A 65 2.183 -0.788 -7.769 1.00 0.00 O ATOM 914 CB ASN A 65 4.875 -0.913 -5.722 1.00 0.00 C ATOM 915 CG ASN A 65 6.085 -1.710 -5.229 1.00 0.00 C ATOM 916 OD1 ASN A 65 6.230 -2.004 -4.054 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.942 -2.042 -6.190 1.00 0.00 N ATOM 0 H ASN A 65 5.476 0.161 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 65 4.823 -2.418 -7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.140 0.141 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.069 -0.980 -4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.781 -2.575 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.760 -1.764 -7.154 1.00 0.00 H new ATOM 924 N GLU A 66 2.363 -2.374 -6.167 1.00 0.00 N ATOM 925 CA GLU A 66 0.928 -2.547 -6.020 1.00 0.00 C ATOM 926 C GLU A 66 0.447 -1.909 -4.715 1.00 0.00 C ATOM 927 O GLU A 66 0.923 -2.260 -3.637 1.00 0.00 O ATOM 928 CB GLU A 66 0.544 -4.027 -6.081 1.00 0.00 C ATOM 929 CG GLU A 66 -0.863 -4.252 -5.524 1.00 0.00 C ATOM 930 CD GLU A 66 -1.686 -5.142 -6.457 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.457 -5.045 -7.682 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.525 -5.900 -5.925 1.00 0.00 O ATOM 0 H GLU A 66 2.928 -2.966 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 66 0.435 -2.043 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.591 -4.376 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.263 -4.617 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.798 -4.714 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.364 -3.293 -5.394 1.00 0.00 H new ATOM 939 N VAL A 67 -0.490 -0.983 -4.856 1.00 0.00 N ATOM 940 CA VAL A 67 -1.040 -0.293 -3.702 1.00 0.00 C ATOM 941 C VAL A 67 -2.360 -0.954 -3.300 1.00 0.00 C ATOM 942 O VAL A 67 -3.426 -0.557 -3.770 1.00 0.00 O ATOM 943 CB VAL A 67 -1.187 1.199 -4.005 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.665 1.965 -2.770 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.123 1.782 -4.539 1.00 0.00 C ATOM 0 H VAL A 67 -0.882 -0.694 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.363 -0.373 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.944 1.310 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.761 3.023 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.633 1.576 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.942 1.842 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.009 2.844 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.909 1.653 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.404 1.265 -5.457 1.00 0.00 H new ATOM 955 N LEU A 68 -2.247 -1.950 -2.434 1.00 0.00 N ATOM 956 CA LEU A 68 -3.418 -2.670 -1.963 1.00 0.00 C ATOM 957 C LEU A 68 -4.335 -1.705 -1.210 1.00 0.00 C ATOM 958 O LEU A 68 -5.538 -1.660 -1.464 1.00 0.00 O ATOM 959 CB LEU A 68 -3.002 -3.891 -1.140 1.00 0.00 C ATOM 960 CG LEU A 68 -2.073 -4.886 -1.840 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.025 -5.433 -0.869 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.874 -6.005 -2.509 1.00 0.00 C ATOM 0 H LEU A 68 -1.362 -2.276 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.988 -3.062 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.510 -3.542 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.903 -4.421 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.537 -4.358 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.378 -6.138 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.426 -4.610 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.524 -5.942 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.191 -6.699 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.453 -6.538 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.549 -5.576 -3.250 1.00 0.00 H new ATOM 974 N SER A 69 -3.733 -0.955 -0.299 1.00 0.00 N ATOM 975 CA SER A 69 -4.481 0.006 0.493 1.00 0.00 C ATOM 976 C SER A 69 -3.596 1.208 0.830 1.00 0.00 C ATOM 977 O SER A 69 -2.382 1.164 0.634 1.00 0.00 O ATOM 978 CB SER A 69 -5.018 -0.634 1.775 1.00 0.00 C ATOM 979 OG SER A 69 -3.976 -1.201 2.565 1.00 0.00 O ATOM 0 H SER A 69 -2.735 -0.994 -0.092 1.00 0.00 H new ATOM 0 HA SER A 69 -5.334 0.344 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.549 0.117 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.741 -1.408 1.518 1.00 0.00 H new ATOM 0 HG SER A 69 -4.359 -1.598 3.375 1.00 0.00 H new ATOM 985 N ILE A 70 -4.237 2.253 1.332 1.00 0.00 N ATOM 986 CA ILE A 70 -3.523 3.464 1.698 1.00 0.00 C ATOM 987 C ILE A 70 -4.059 3.983 3.034 1.00 0.00 C ATOM 988 O ILE A 70 -5.214 4.397 3.125 1.00 0.00 O ATOM 989 CB ILE A 70 -3.595 4.492 0.566 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.462 4.280 -0.439 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.611 5.918 1.121 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.249 5.145 -0.088 1.00 0.00 C ATOM 0 H ILE A 70 -5.244 2.286 1.494 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.463 3.253 1.839 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.532 4.345 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.173 3.229 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.810 4.525 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.662 6.629 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.480 6.048 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.702 6.095 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.458 4.975 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.536 6.196 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.889 4.880 0.906 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.195 3.943 4.037 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.567 4.403 5.364 1.00 0.00 C ATOM 1006 C ASN A 71 -4.435 3.342 6.043 1.00 0.00 C ATOM 1007 O ASN A 71 -5.008 3.589 7.103 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.375 5.700 5.291 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.904 6.700 6.348 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -2.598 6.949 6.312 1.00 0.00 O flip ATOM 1011 ND2 ASN A 71 -4.675 7.213 7.143 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.238 3.599 3.958 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.651 4.580 5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.274 6.140 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.433 5.482 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.667 6.977 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.327 7.877 7.834 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.505 2.183 5.404 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.294 1.083 5.933 1.00 0.00 C ATOM 1020 C GLY A 72 -6.629 0.963 5.196 1.00 0.00 C ATOM 1021 O GLY A 72 -7.429 0.076 5.493 1.00 0.00 O ATOM 0 H GLY A 72 -4.028 1.982 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.736 0.151 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.474 1.238 6.997 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.830 1.868 4.249 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.055 1.874 3.467 1.00 0.00 C ATOM 1027 C LYS A 73 -7.836 1.080 2.177 1.00 0.00 C ATOM 1028 O LYS A 73 -6.988 1.438 1.361 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.534 3.308 3.233 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.363 3.407 1.950 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.780 4.853 1.677 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.020 5.229 2.490 1.00 0.00 C ATOM 1033 NZ LYS A 73 -12.233 4.625 1.894 1.00 0.00 N ATOM 0 H LYS A 73 -6.165 2.602 4.006 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.858 1.379 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.131 3.639 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.675 3.976 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.784 3.027 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.250 2.779 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.959 5.525 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.985 4.982 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.905 4.888 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.125 6.313 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.079 5.071 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.225 4.774 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.248 3.605 2.096 1.00 0.00 H new ATOM 1047 N SER A 74 -8.614 0.018 2.034 1.00 0.00 N ATOM 1048 CA SER A 74 -8.516 -0.829 0.858 1.00 0.00 C ATOM 1049 C SER A 74 -9.288 -0.202 -0.305 1.00 0.00 C ATOM 1050 O SER A 74 -10.269 0.509 -0.091 1.00 0.00 O ATOM 1051 CB SER A 74 -9.042 -2.237 1.147 1.00 0.00 C ATOM 1052 OG SER A 74 -9.507 -2.368 2.487 1.00 0.00 O ATOM 0 H SER A 74 -9.316 -0.276 2.714 1.00 0.00 H new ATOM 0 HA SER A 74 -7.464 -0.913 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.853 -2.470 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.251 -2.964 0.965 1.00 0.00 H new ATOM 0 HG SER A 74 -9.836 -3.280 2.631 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.817 -0.489 -1.509 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.452 0.038 -2.706 1.00 0.00 C ATOM 1060 C LEU A 75 -10.616 -0.871 -3.103 1.00 0.00 C ATOM 1061 O LEU A 75 -10.405 -1.972 -3.610 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.419 0.235 -3.817 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.041 0.731 -3.373 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.982 0.430 -4.434 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.084 2.217 -3.010 1.00 0.00 C ATOM 0 H LEU A 75 -8.003 -1.079 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.870 1.026 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.291 -0.713 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.823 0.944 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.756 0.188 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.012 0.793 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.929 -0.646 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.249 0.928 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.092 2.544 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.400 2.795 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.790 2.372 -2.195 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.821 -0.377 -2.857 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.020 -1.132 -3.183 1.00 0.00 C ATOM 1079 C LYS A 76 -13.442 -0.815 -4.619 1.00 0.00 C ATOM 1080 O LYS A 76 -14.553 -1.145 -5.030 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.115 -0.870 -2.147 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.768 0.496 -2.373 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.154 0.344 -3.003 1.00 0.00 C ATOM 1084 CE LYS A 76 -16.524 1.584 -3.818 1.00 0.00 C ATOM 1085 NZ LYS A 76 -16.409 1.306 -5.267 1.00 0.00 N ATOM 0 H LYS A 76 -11.993 0.536 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.821 -2.203 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.871 -1.653 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.690 -0.912 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.852 1.024 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.135 1.103 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.171 -0.536 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.897 0.183 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.542 1.892 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.869 2.413 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.044 2.149 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.757 0.510 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.345 1.064 -5.649 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.533 -0.177 -5.342 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.798 0.188 -6.723 1.00 0.00 C ATOM 1101 C GLY A 77 -12.788 1.708 -6.900 1.00 0.00 C ATOM 1102 O GLY A 77 -13.434 2.235 -7.804 1.00 0.00 O ATOM 0 H GLY A 77 -11.613 0.096 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.047 -0.262 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.765 -0.211 -7.029 1.00 0.00 H new ATOM 1106 N THR A 78 -12.048 2.369 -6.022 1.00 0.00 N ATOM 1107 CA THR A 78 -11.946 3.817 -6.070 1.00 0.00 C ATOM 1108 C THR A 78 -11.392 4.269 -7.422 1.00 0.00 C ATOM 1109 O THR A 78 -10.515 3.617 -7.987 1.00 0.00 O ATOM 1110 CB THR A 78 -11.094 4.271 -4.882 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.102 3.150 -4.002 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.762 5.385 -4.074 1.00 0.00 C ATOM 0 H THR A 78 -11.513 1.928 -5.273 1.00 0.00 H new ATOM 0 HA THR A 78 -12.927 4.285 -5.983 1.00 0.00 H new ATOM 0 HB THR A 78 -10.124 4.616 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.268 2.646 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.116 5.670 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.930 6.250 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.717 5.030 -3.686 1.00 0.00 H new ATOM 1120 N THR A 79 -11.927 5.381 -7.903 1.00 0.00 N ATOM 1121 CA THR A 79 -11.497 5.928 -9.179 1.00 0.00 C ATOM 1122 C THR A 79 -10.097 6.533 -9.056 1.00 0.00 C ATOM 1123 O THR A 79 -9.407 6.313 -8.061 1.00 0.00 O ATOM 1124 CB THR A 79 -12.554 6.931 -9.644 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.655 7.854 -8.563 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.949 6.311 -9.737 1.00 0.00 C ATOM 0 H THR A 79 -12.655 5.919 -7.432 1.00 0.00 H new ATOM 0 HA THR A 79 -11.414 5.148 -9.936 1.00 0.00 H new ATOM 0 HB THR A 79 -12.270 7.333 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.319 8.541 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.661 7.066 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.934 5.486 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.248 5.939 -8.757 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.719 7.282 -10.081 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.414 7.921 -10.100 1.00 0.00 C ATOM 1136 C HIS A 80 -8.395 9.081 -9.103 1.00 0.00 C ATOM 1137 O HIS A 80 -7.419 9.266 -8.378 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.041 8.353 -11.519 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.560 8.563 -11.728 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.632 7.546 -11.593 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.857 9.683 -12.065 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.428 8.042 -11.838 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.570 9.367 -12.130 1.00 0.00 N ATOM 0 H HIS A 80 -10.294 7.461 -10.905 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.652 7.207 -9.788 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.393 7.598 -12.222 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.566 9.279 -11.756 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.839 6.578 -11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.277 10.661 -12.248 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.498 7.494 -11.811 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.486 9.833 -9.098 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.608 10.970 -8.202 1.00 0.00 C ATOM 1153 C HIS A 81 -9.896 10.476 -6.783 1.00 0.00 C ATOM 1154 O HIS A 81 -9.117 10.727 -5.864 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.662 11.954 -8.713 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.540 13.342 -8.131 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.960 14.476 -8.804 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.041 13.766 -6.935 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.720 15.530 -8.038 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.149 15.088 -6.880 1.00 0.00 N ATOM 0 H HIS A 81 -10.294 9.677 -9.701 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.667 11.519 -8.174 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.588 12.019 -9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.653 11.561 -8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.628 13.134 -6.163 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.938 16.558 -8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.854 15.676 -6.101 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.017 9.783 -6.647 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.418 9.252 -5.356 1.00 0.00 C ATOM 1170 C ASP A 82 -10.198 8.650 -4.656 1.00 0.00 C ATOM 1171 O ASP A 82 -10.127 8.634 -3.428 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.465 8.148 -5.515 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.865 8.634 -5.892 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -14.147 9.821 -5.618 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.623 7.808 -6.446 1.00 0.00 O ATOM 0 H ASP A 82 -11.661 9.577 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.842 10.069 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.122 7.450 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.529 7.592 -4.580 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.267 8.170 -5.468 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.054 7.568 -4.942 1.00 0.00 C ATOM 1182 C ALA A 83 -7.040 8.669 -4.624 1.00 0.00 C ATOM 1183 O ALA A 83 -6.566 8.773 -3.493 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.512 6.550 -5.948 1.00 0.00 C ATOM 0 H ALA A 83 -9.329 8.186 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.262 7.033 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.602 6.098 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.258 5.774 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.289 7.052 -6.890 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.738 9.464 -5.640 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.790 10.553 -5.482 1.00 0.00 C ATOM 1192 C LEU A 84 -6.095 11.305 -4.185 1.00 0.00 C ATOM 1193 O LEU A 84 -5.203 11.525 -3.367 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.789 11.446 -6.724 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.000 10.922 -7.927 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.582 9.466 -7.715 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.790 11.109 -9.224 1.00 0.00 C ATOM 0 H LEU A 84 -7.133 9.375 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.775 10.165 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.822 11.605 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.386 12.420 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.086 11.509 -8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.023 9.118 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.954 9.393 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.470 8.848 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.207 10.729 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.731 10.563 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.995 12.169 -9.375 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.357 11.678 -4.037 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.790 12.401 -2.853 1.00 0.00 C ATOM 1211 C ALA A 85 -7.470 11.570 -1.609 1.00 0.00 C ATOM 1212 O ALA A 85 -6.821 12.056 -0.684 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.281 12.726 -2.970 1.00 0.00 C ATOM 0 H ALA A 85 -8.094 11.493 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.256 13.347 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.606 13.268 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.451 13.341 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.849 11.800 -3.058 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.941 10.332 -1.626 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.714 9.429 -0.510 1.00 0.00 C ATOM 1221 C ILE A 86 -6.237 9.480 -0.112 1.00 0.00 C ATOM 1222 O ILE A 86 -5.910 9.454 1.073 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.211 8.022 -0.849 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.574 7.753 -0.208 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.176 6.965 -0.459 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.591 7.293 -1.255 1.00 0.00 C ATOM 0 H ILE A 86 -8.479 9.933 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.291 9.745 0.359 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.344 7.958 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.472 6.991 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.935 8.658 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.555 5.974 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.248 7.147 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.987 7.019 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.551 7.109 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.708 8.067 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.239 6.375 -1.725 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.386 9.550 -1.125 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.952 9.605 -0.895 1.00 0.00 C ATOM 1240 C LEU A 87 -3.593 10.950 -0.261 1.00 0.00 C ATOM 1241 O LEU A 87 -2.683 11.029 0.563 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.191 9.311 -2.189 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.747 9.814 -2.247 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.703 11.337 -2.394 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.950 9.333 -1.033 1.00 0.00 C ATOM 0 H LEU A 87 -5.662 9.570 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.648 8.830 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.186 8.233 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.742 9.752 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.273 9.390 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.666 11.669 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.212 11.629 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.200 11.799 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.073 9.704 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.414 9.708 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.940 8.243 -1.013 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.325 11.975 -0.671 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.095 13.313 -0.154 1.00 0.00 C ATOM 1259 C ARG A 88 -4.508 13.392 1.317 1.00 0.00 C ATOM 1260 O ARG A 88 -4.109 14.313 2.029 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.879 14.356 -0.953 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.296 14.522 -2.358 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.199 15.400 -3.226 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.384 16.389 -3.966 1.00 0.00 N ATOM 1265 CZ ARG A 88 -3.818 17.466 -3.405 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -3.975 17.701 -2.096 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -3.094 18.310 -4.155 1.00 0.00 N ATOM 0 H ARG A 88 -5.078 11.906 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.030 13.525 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.925 14.056 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.856 15.312 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.303 14.967 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.177 13.544 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.758 14.780 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.930 15.913 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.244 16.242 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.526 17.060 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.544 18.521 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.974 18.132 -5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.663 19.130 -3.728 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.301 12.415 1.730 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.772 12.362 3.103 1.00 0.00 C ATOM 1283 C GLN A 89 -4.766 11.616 3.981 1.00 0.00 C ATOM 1284 O GLN A 89 -4.679 11.867 5.182 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.156 11.714 3.183 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.225 12.629 2.583 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.522 12.563 3.393 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.520 12.476 4.610 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.626 12.609 2.652 1.00 0.00 N ATOM 0 H GLN A 89 -5.630 11.653 1.137 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.863 13.383 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.147 10.762 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.400 11.497 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.859 13.655 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.421 12.337 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.556 12.682 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.542 12.571 3.099 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.032 10.713 3.348 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.035 9.929 4.057 1.00 0.00 C ATOM 1300 C ALA A 90 -1.771 10.770 4.248 1.00 0.00 C ATOM 1301 O ALA A 90 -0.838 10.349 4.930 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.762 8.634 3.288 1.00 0.00 C ATOM 0 H ALA A 90 -4.108 10.507 2.352 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.399 9.651 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.014 8.046 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.684 8.059 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.393 8.874 2.291 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.782 11.944 3.634 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.649 12.849 3.728 1.00 0.00 C ATOM 1310 C ARG A 91 -0.892 13.893 4.819 1.00 0.00 C ATOM 1311 O ARG A 91 -0.009 14.693 5.126 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.401 13.561 2.397 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.163 14.885 2.333 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.386 15.321 0.883 1.00 0.00 C ATOM 1315 NE ARG A 91 -1.036 16.750 0.724 1.00 0.00 N ATOM 1316 CZ ARG A 91 0.201 17.242 0.880 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.213 16.423 1.199 1.00 0.00 N ATOM 1318 NH2 ARG A 91 0.426 18.552 0.716 1.00 0.00 N ATOM 0 H ARG A 91 -2.558 12.290 3.069 1.00 0.00 H new ATOM 0 HA ARG A 91 0.230 12.255 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.666 13.745 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.712 12.918 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.124 14.780 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.606 15.655 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.777 14.713 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.427 15.160 0.602 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.783 17.401 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.042 15.425 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.154 16.798 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.344 19.175 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.367 18.927 0.835 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.094 13.851 5.376 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.464 14.784 6.427 1.00 0.00 C ATOM 1334 C GLU A 92 -1.791 14.394 7.745 1.00 0.00 C ATOM 1335 O GLU A 92 -1.258 15.249 8.451 1.00 0.00 O ATOM 1336 CB GLU A 92 -3.984 14.853 6.588 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.673 15.003 5.230 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.190 15.113 5.394 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.816 14.052 5.603 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -6.689 16.255 5.306 1.00 0.00 O ATOM 0 H GLU A 92 -2.824 13.186 5.119 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.115 15.777 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.342 13.951 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.248 15.695 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.293 15.889 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.433 14.147 4.600 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.837 13.068 8.044 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.238 12.554 9.264 1.00 0.00 C ATOM 1349 C PRO A 93 0.287 12.510 9.149 1.00 0.00 C ATOM 1350 O PRO A 93 0.843 12.805 8.092 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.859 11.181 9.459 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.426 10.784 8.105 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.459 12.026 7.231 1.00 0.00 C ATOM 0 HA PRO A 93 -1.431 13.190 10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.115 10.460 9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.642 11.210 10.217 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.811 10.010 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.428 10.370 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.912 11.870 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.481 12.292 6.960 1.00 0.00 H new ATOM 1361 N ARG A 94 0.921 12.140 10.252 1.00 0.00 N ATOM 1362 CA ARG A 94 2.371 12.053 10.289 1.00 0.00 C ATOM 1363 C ARG A 94 2.827 10.638 9.930 1.00 0.00 C ATOM 1364 O ARG A 94 4.025 10.376 9.825 1.00 0.00 O ATOM 1365 CB ARG A 94 2.909 12.420 11.673 1.00 0.00 C ATOM 1366 CG ARG A 94 3.375 13.877 11.712 1.00 0.00 C ATOM 1367 CD ARG A 94 2.603 14.672 12.767 1.00 0.00 C ATOM 1368 NE ARG A 94 3.090 14.323 14.120 1.00 0.00 N ATOM 1369 CZ ARG A 94 2.685 14.930 15.244 1.00 0.00 C ATOM 1370 NH1 ARG A 94 1.784 15.920 15.184 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.181 14.547 16.429 1.00 0.00 N ATOM 0 H ARG A 94 0.457 11.897 11.127 1.00 0.00 H new ATOM 0 HA ARG A 94 2.765 12.761 9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.133 12.263 12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.739 11.762 11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.442 13.915 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.234 14.334 10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.727 15.741 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.537 14.457 12.688 1.00 0.00 H new ATOM 0 HE ARG A 94 3.777 13.574 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.406 16.212 14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.476 16.382 16.040 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.867 13.793 16.475 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.873 15.009 17.284 1.00 0.00 H new ATOM 1385 N GLN A 95 1.849 9.762 9.752 1.00 0.00 N ATOM 1386 CA GLN A 95 2.136 8.380 9.407 1.00 0.00 C ATOM 1387 C GLN A 95 1.201 7.906 8.293 1.00 0.00 C ATOM 1388 O GLN A 95 0.060 8.357 8.201 1.00 0.00 O ATOM 1389 CB GLN A 95 2.027 7.475 10.636 1.00 0.00 C ATOM 1390 CG GLN A 95 2.589 6.082 10.342 1.00 0.00 C ATOM 1391 CD GLN A 95 2.076 5.059 11.357 1.00 0.00 C ATOM 1392 OE1 GLN A 95 2.673 4.821 12.394 1.00 0.00 O ATOM 1393 NE2 GLN A 95 0.939 4.468 11.001 1.00 0.00 N ATOM 0 H GLN A 95 0.857 9.982 9.840 1.00 0.00 H new ATOM 0 HA GLN A 95 3.162 8.322 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.569 7.921 11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.984 7.393 10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.304 5.776 9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.678 6.112 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.491 4.714 10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.515 3.769 11.611 1.00 0.00 H new ATOM 1402 N ALA A 96 1.719 7.003 7.473 1.00 0.00 N ATOM 1403 CA ALA A 96 0.944 6.464 6.368 1.00 0.00 C ATOM 1404 C ALA A 96 1.257 4.974 6.212 1.00 0.00 C ATOM 1405 O ALA A 96 2.418 4.590 6.082 1.00 0.00 O ATOM 1406 CB ALA A 96 1.246 7.259 5.097 1.00 0.00 C ATOM 0 H ALA A 96 2.666 6.631 7.552 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.124 6.559 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.665 6.855 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.980 8.305 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.308 7.185 4.865 1.00 0.00 H new ATOM 1412 N VAL A 97 0.200 4.175 6.229 1.00 0.00 N ATOM 1413 CA VAL A 97 0.347 2.736 6.091 1.00 0.00 C ATOM 1414 C VAL A 97 0.016 2.330 4.653 1.00 0.00 C ATOM 1415 O VAL A 97 -1.116 2.498 4.202 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.519 2.020 7.129 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -0.992 0.662 6.605 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.230 1.865 8.454 1.00 0.00 C ATOM 0 H VAL A 97 -0.762 4.497 6.336 1.00 0.00 H new ATOM 0 HA VAL A 97 1.377 2.436 6.285 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.400 2.635 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.606 0.174 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.580 0.806 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.127 0.037 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.408 1.353 9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.137 1.282 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.495 2.850 8.839 1.00 0.00 H new ATOM 1428 N ILE A 98 1.025 1.804 3.974 1.00 0.00 N ATOM 1429 CA ILE A 98 0.855 1.372 2.597 1.00 0.00 C ATOM 1430 C ILE A 98 1.190 -0.116 2.489 1.00 0.00 C ATOM 1431 O ILE A 98 2.303 -0.531 2.811 1.00 0.00 O ATOM 1432 CB ILE A 98 1.672 2.257 1.654 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.618 3.722 2.092 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.221 2.076 0.203 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.883 4.112 2.860 1.00 0.00 C ATOM 0 H ILE A 98 1.963 1.667 4.352 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.183 1.488 2.286 1.00 0.00 H new ATOM 0 HB ILE A 98 2.714 1.943 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.507 4.363 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.742 3.885 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.818 2.717 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.354 1.035 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.169 2.347 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.819 5.158 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.978 3.486 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.755 3.971 2.221 1.00 0.00 H new ATOM 1447 N VAL A 99 0.208 -0.880 2.033 1.00 0.00 N ATOM 1448 CA VAL A 99 0.385 -2.314 1.878 1.00 0.00 C ATOM 1449 C VAL A 99 0.653 -2.634 0.406 1.00 0.00 C ATOM 1450 O VAL A 99 -0.220 -2.452 -0.441 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.830 -3.055 2.440 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.533 -4.546 2.609 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.288 -2.434 3.761 1.00 0.00 C ATOM 0 H VAL A 99 -0.713 -0.533 1.766 1.00 0.00 H new ATOM 0 HA VAL A 99 1.249 -2.656 2.447 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.645 -2.955 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.413 -5.049 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.277 -4.978 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.303 -4.675 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.153 -2.979 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.478 -2.488 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.560 -1.391 3.598 1.00 0.00 H new ATOM 1463 N THR A 100 1.864 -3.106 0.147 1.00 0.00 N ATOM 1464 CA THR A 100 2.257 -3.454 -1.208 1.00 0.00 C ATOM 1465 C THR A 100 3.010 -4.786 -1.219 1.00 0.00 C ATOM 1466 O THR A 100 3.262 -5.370 -0.166 1.00 0.00 O ATOM 1467 CB THR A 100 3.072 -2.290 -1.776 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.108 -2.091 -0.818 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.296 -0.972 -1.766 1.00 0.00 C ATOM 0 H THR A 100 2.586 -3.255 0.852 1.00 0.00 H new ATOM 0 HA THR A 100 1.387 -3.604 -1.847 1.00 0.00 H new ATOM 0 HB THR A 100 3.376 -2.524 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.685 -1.354 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.920 -0.179 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.394 -1.076 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.020 -0.720 -0.742 1.00 0.00 H new ATOM 1477 N ARG A 101 3.346 -5.228 -2.422 1.00 0.00 N ATOM 1478 CA ARG A 101 4.065 -6.480 -2.585 1.00 0.00 C ATOM 1479 C ARG A 101 5.141 -6.339 -3.663 1.00 0.00 C ATOM 1480 O ARG A 101 4.992 -5.548 -4.594 1.00 0.00 O ATOM 1481 CB ARG A 101 3.113 -7.615 -2.969 1.00 0.00 C ATOM 1482 CG ARG A 101 2.480 -7.360 -4.338 1.00 0.00 C ATOM 1483 CD ARG A 101 0.957 -7.271 -4.230 1.00 0.00 C ATOM 1484 NE ARG A 101 0.343 -7.453 -5.564 1.00 0.00 N ATOM 1485 CZ ARG A 101 0.121 -8.645 -6.133 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.461 -9.769 -5.488 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -0.441 -8.714 -7.347 1.00 0.00 N ATOM 0 H ARG A 101 3.134 -4.741 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 101 4.533 -6.720 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.656 -8.560 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.332 -7.710 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.873 -6.434 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.753 -8.162 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.588 -8.033 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.669 -6.304 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 101 0.072 -6.618 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.889 -9.717 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.292 -10.677 -5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.700 -7.859 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.610 -9.622 -7.780 1.00 0.00 H new ATOM 1501 N LYS A 102 6.201 -7.118 -3.503 1.00 0.00 N ATOM 1502 CA LYS A 102 7.301 -7.089 -4.451 1.00 0.00 C ATOM 1503 C LYS A 102 6.817 -7.617 -5.803 1.00 0.00 C ATOM 1504 O LYS A 102 6.535 -8.806 -5.944 1.00 0.00 O ATOM 1505 CB LYS A 102 8.509 -7.843 -3.893 1.00 0.00 C ATOM 1506 CG LYS A 102 9.460 -6.892 -3.163 1.00 0.00 C ATOM 1507 CD LYS A 102 10.694 -6.590 -4.015 1.00 0.00 C ATOM 1508 CE LYS A 102 10.840 -5.086 -4.255 1.00 0.00 C ATOM 1509 NZ LYS A 102 11.845 -4.824 -5.309 1.00 0.00 N ATOM 0 H LYS A 102 6.321 -7.773 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 102 7.640 -6.065 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.172 -8.622 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.039 -8.340 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.941 -5.963 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.767 -7.335 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.586 -6.971 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.616 -7.109 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.879 -4.664 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.137 -4.591 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.931 -3.799 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.765 -5.210 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.546 -5.279 -6.195 1.00 0.00 H new ATOM 1523 N LEU A 103 6.736 -6.708 -6.763 1.00 0.00 N ATOM 1524 CA LEU A 103 6.291 -7.068 -8.099 1.00 0.00 C ATOM 1525 C LEU A 103 7.503 -7.164 -9.027 1.00 0.00 C ATOM 1526 O LEU A 103 8.433 -6.365 -8.925 1.00 0.00 O ATOM 1527 CB LEU A 103 5.219 -6.091 -8.587 1.00 0.00 C ATOM 1528 CG LEU A 103 3.979 -5.957 -7.700 1.00 0.00 C ATOM 1529 CD1 LEU A 103 3.132 -4.755 -8.121 1.00 0.00 C ATOM 1530 CD2 LEU A 103 3.169 -7.255 -7.691 1.00 0.00 C ATOM 0 H LEU A 103 6.971 -5.723 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 103 5.817 -8.049 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.674 -5.106 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.898 -6.402 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 103 4.308 -5.776 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.257 -4.682 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.724 -3.844 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.810 -4.881 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.293 -7.133 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.849 -7.491 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.787 -8.067 -7.307 1.00 0.00 H new ATOM 1542 N THR A 104 7.455 -8.150 -9.911 1.00 0.00 N ATOM 1543 CA THR A 104 8.538 -8.361 -10.856 1.00 0.00 C ATOM 1544 C THR A 104 9.877 -8.452 -10.122 1.00 0.00 C ATOM 1545 O THR A 104 9.986 -8.037 -8.969 1.00 0.00 O ATOM 1546 CB THR A 104 8.488 -7.236 -11.892 1.00 0.00 C ATOM 1547 OG1 THR A 104 8.774 -6.060 -11.140 1.00 0.00 O ATOM 1548 CG2 THR A 104 7.077 -6.999 -12.432 1.00 0.00 C ATOM 0 H THR A 104 6.683 -8.811 -9.993 1.00 0.00 H new ATOM 0 HA THR A 104 8.426 -9.310 -11.380 1.00 0.00 H new ATOM 0 HB THR A 104 9.157 -7.474 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 104 9.235 -6.306 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.098 -6.191 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.712 -7.909 -12.908 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.414 -6.728 -11.611 1.00 0.00 H new ATOM 1556 N PRO A 105 10.888 -9.013 -10.838 1.00 0.00 N ATOM 1557 CA PRO A 105 12.216 -9.163 -10.266 1.00 0.00 C ATOM 1558 C PRO A 105 12.947 -7.821 -10.217 1.00 0.00 C ATOM 1559 O PRO A 105 12.406 -6.799 -10.637 1.00 0.00 O ATOM 1560 CB PRO A 105 12.910 -10.187 -11.150 1.00 0.00 C ATOM 1561 CG PRO A 105 12.118 -10.224 -12.446 1.00 0.00 C ATOM 1562 CD PRO A 105 10.796 -9.515 -12.205 1.00 0.00 C ATOM 0 HA PRO A 105 12.193 -9.501 -9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.947 -9.905 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.926 -11.167 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 105 12.673 -9.735 -13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.947 -11.254 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.647 -8.702 -12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.954 -10.197 -12.320 1.00 0.00 H new ATOM 1570 N GLU A 106 14.167 -7.866 -9.701 1.00 0.00 N ATOM 1571 CA GLU A 106 14.978 -6.666 -9.592 1.00 0.00 C ATOM 1572 C GLU A 106 15.664 -6.365 -10.926 1.00 0.00 C ATOM 1573 O GLU A 106 16.870 -6.561 -11.066 1.00 0.00 O ATOM 1574 CB GLU A 106 16.005 -6.799 -8.465 1.00 0.00 C ATOM 1575 CG GLU A 106 15.573 -6.003 -7.232 1.00 0.00 C ATOM 1576 CD GLU A 106 16.116 -4.573 -7.284 1.00 0.00 C ATOM 1577 OE1 GLU A 106 17.335 -4.421 -7.056 1.00 0.00 O ATOM 1578 OE2 GLU A 106 15.299 -3.666 -7.551 1.00 0.00 O ATOM 0 H GLU A 106 14.613 -8.715 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 106 14.323 -5.830 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 106 16.125 -7.849 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.976 -6.444 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.485 -5.981 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.932 -6.499 -6.330 1.00 0.00 H new ATOM 1585 N ALA A 107 14.865 -5.895 -11.873 1.00 0.00 N ATOM 1586 CA ALA A 107 15.380 -5.566 -13.191 1.00 0.00 C ATOM 1587 C ALA A 107 15.813 -4.099 -13.213 1.00 0.00 C ATOM 1588 O ALA A 107 15.033 -3.223 -13.582 1.00 0.00 O ATOM 1589 CB ALA A 107 14.317 -5.875 -14.247 1.00 0.00 C ATOM 0 H ALA A 107 13.865 -5.734 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 107 16.256 -6.172 -13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 107 14.704 -5.628 -15.236 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.065 -6.935 -14.210 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.424 -5.283 -14.048 1.00 0.00 H new ATOM 1595 N MET A 108 17.057 -3.876 -12.813 1.00 0.00 N ATOM 1596 CA MET A 108 17.603 -2.530 -12.781 1.00 0.00 C ATOM 1597 C MET A 108 18.805 -2.404 -13.720 1.00 0.00 C ATOM 1598 O MET A 108 19.951 -2.499 -13.284 1.00 0.00 O ATOM 1599 CB MET A 108 18.033 -2.186 -11.354 1.00 0.00 C ATOM 1600 CG MET A 108 16.899 -1.498 -10.591 1.00 0.00 C ATOM 1601 SD MET A 108 17.486 -0.934 -9.002 1.00 0.00 S ATOM 1602 CE MET A 108 17.293 0.829 -9.209 1.00 0.00 C ATOM 0 H MET A 108 17.702 -4.605 -12.508 1.00 0.00 H new ATOM 0 HA MET A 108 16.830 -1.837 -13.114 1.00 0.00 H new ATOM 0 HB2 MET A 108 18.329 -3.095 -10.830 1.00 0.00 H new ATOM 0 HB3 MET A 108 18.906 -1.534 -11.381 1.00 0.00 H new ATOM 0 HG2 MET A 108 16.521 -0.654 -11.168 1.00 0.00 H new ATOM 0 HG3 MET A 108 16.068 -2.190 -10.456 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.616 1.339 -8.302 1.00 0.00 H new ATOM 0 HE2 MET A 108 17.899 1.165 -10.050 1.00 0.00 H new ATOM 0 HE3 MET A 108 16.245 1.060 -9.402 1.00 0.00 H new ATOM 1612 N PRO A 109 18.493 -2.187 -15.026 1.00 0.00 N ATOM 1613 CA PRO A 109 19.534 -2.047 -16.031 1.00 0.00 C ATOM 1614 C PRO A 109 20.214 -0.680 -15.929 1.00 0.00 C ATOM 1615 O PRO A 109 19.606 0.343 -16.239 1.00 0.00 O ATOM 1616 CB PRO A 109 18.829 -2.264 -17.360 1.00 0.00 C ATOM 1617 CG PRO A 109 17.349 -2.055 -17.086 1.00 0.00 C ATOM 1618 CD PRO A 109 17.147 -2.069 -15.579 1.00 0.00 C ATOM 0 HA PRO A 109 20.343 -2.766 -15.903 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.190 -1.563 -18.112 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.017 -3.267 -17.743 1.00 0.00 H new ATOM 0 HG2 PRO A 109 17.013 -1.108 -17.507 1.00 0.00 H new ATOM 0 HG3 PRO A 109 16.759 -2.841 -17.558 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.657 -1.158 -15.237 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.518 -2.904 -15.271 1.00 0.00 H new ATOM 1626 N ASP A 110 21.465 -0.708 -15.495 1.00 0.00 N ATOM 1627 CA ASP A 110 22.234 0.516 -15.349 1.00 0.00 C ATOM 1628 C ASP A 110 22.515 1.105 -16.733 1.00 0.00 C ATOM 1629 O ASP A 110 23.201 0.487 -17.547 1.00 0.00 O ATOM 1630 CB ASP A 110 23.577 0.246 -14.669 1.00 0.00 C ATOM 1631 CG ASP A 110 24.080 1.370 -13.762 1.00 0.00 C ATOM 1632 OD1 ASP A 110 23.776 2.539 -14.085 1.00 0.00 O ATOM 1633 OD2 ASP A 110 24.758 1.036 -12.766 1.00 0.00 O ATOM 0 H ASP A 110 21.966 -1.559 -15.240 1.00 0.00 H new ATOM 0 HA ASP A 110 21.653 1.207 -14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 110 23.491 -0.666 -14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 110 24.326 0.058 -15.439 1.00 0.00 H new ATOM 1638 N LEU A 111 21.971 2.292 -16.959 1.00 0.00 N ATOM 1639 CA LEU A 111 22.155 2.970 -18.230 1.00 0.00 C ATOM 1640 C LEU A 111 23.589 3.493 -18.321 1.00 0.00 C ATOM 1641 O LEU A 111 24.424 2.910 -19.011 1.00 0.00 O ATOM 1642 CB LEU A 111 21.091 4.054 -18.418 1.00 0.00 C ATOM 1643 CG LEU A 111 19.801 3.874 -17.616 1.00 0.00 C ATOM 1644 CD1 LEU A 111 19.890 4.589 -16.266 1.00 0.00 C ATOM 1645 CD2 LEU A 111 18.584 4.327 -18.426 1.00 0.00 C ATOM 0 H LEU A 111 21.402 2.801 -16.282 1.00 0.00 H new ATOM 0 HA LEU A 111 22.017 2.274 -19.057 1.00 0.00 H new ATOM 0 HB2 LEU A 111 21.530 5.016 -18.152 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.834 4.103 -19.476 1.00 0.00 H new ATOM 0 HG LEU A 111 19.673 2.811 -17.409 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.960 4.445 -15.716 1.00 0.00 H new ATOM 0 HD12 LEU A 111 20.719 4.178 -15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.054 5.654 -16.429 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.680 4.188 -17.833 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.691 5.381 -18.684 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.513 3.735 -19.339 1.00 0.00 H new ATOM 1657 N ASN A 112 23.832 4.588 -17.615 1.00 0.00 N ATOM 1658 CA ASN A 112 25.151 5.196 -17.608 1.00 0.00 C ATOM 1659 C ASN A 112 25.739 5.148 -19.020 1.00 0.00 C ATOM 1660 O ASN A 112 26.564 4.287 -19.323 1.00 0.00 O ATOM 1661 CB ASN A 112 26.101 4.442 -16.675 1.00 0.00 C ATOM 1662 CG ASN A 112 27.154 5.383 -16.086 1.00 0.00 C ATOM 1663 OD1 ASN A 112 26.891 6.533 -15.775 1.00 0.00 O ATOM 1664 ND2 ASN A 112 28.357 4.832 -15.952 1.00 0.00 N ATOM 0 H ASN A 112 23.137 5.069 -17.044 1.00 0.00 H new ATOM 0 HA ASN A 112 25.045 6.224 -17.261 1.00 0.00 H new ATOM 0 HB2 ASN A 112 25.532 3.977 -15.870 1.00 0.00 H new ATOM 0 HB3 ASN A 112 26.593 3.638 -17.223 1.00 0.00 H new ATOM 0 HD21 ASN A 112 29.128 5.378 -15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 112 28.508 3.863 -16.232 1.00 0.00 H new ATOM 1671 N SER A 113 25.290 6.082 -19.845 1.00 0.00 N ATOM 1672 CA SER A 113 25.761 6.156 -21.218 1.00 0.00 C ATOM 1673 C SER A 113 26.625 7.404 -21.408 1.00 0.00 C ATOM 1674 O SER A 113 26.608 8.309 -20.574 1.00 0.00 O ATOM 1675 CB SER A 113 24.590 6.167 -22.202 1.00 0.00 C ATOM 1676 OG SER A 113 24.778 5.237 -23.266 1.00 0.00 O ATOM 0 H SER A 113 24.605 6.794 -19.590 1.00 0.00 H new ATOM 0 HA SER A 113 26.363 5.270 -21.421 1.00 0.00 H new ATOM 0 HB2 SER A 113 23.668 5.929 -21.671 1.00 0.00 H new ATOM 0 HB3 SER A 113 24.471 7.169 -22.613 1.00 0.00 H new ATOM 0 HG SER A 113 24.008 5.273 -23.872 1.00 0.00 H new ATOM 1682 N SER A 114 27.361 7.414 -22.510 1.00 0.00 N ATOM 1683 CA SER A 114 28.230 8.536 -22.820 1.00 0.00 C ATOM 1684 C SER A 114 28.139 8.873 -24.309 1.00 0.00 C ATOM 1685 O SER A 114 28.803 8.246 -25.133 1.00 0.00 O ATOM 1686 CB SER A 114 29.679 8.234 -22.432 1.00 0.00 C ATOM 1687 OG SER A 114 29.976 8.658 -21.104 1.00 0.00 O ATOM 0 H SER A 114 27.373 6.662 -23.199 1.00 0.00 H new ATOM 0 HA SER A 114 27.898 9.396 -22.239 1.00 0.00 H new ATOM 0 HB2 SER A 114 29.862 7.163 -22.520 1.00 0.00 H new ATOM 0 HB3 SER A 114 30.352 8.731 -23.130 1.00 0.00 H new ATOM 0 HG SER A 114 30.909 8.446 -20.894 1.00 0.00 H new ATOM 1693 N GLY A 115 27.310 9.863 -24.610 1.00 0.00 N ATOM 1694 CA GLY A 115 27.123 10.290 -25.986 1.00 0.00 C ATOM 1695 C GLY A 115 28.157 11.349 -26.376 1.00 0.00 C ATOM 1696 O GLY A 115 28.716 12.023 -25.513 1.00 0.00 O ATOM 0 H GLY A 115 26.761 10.381 -23.924 1.00 0.00 H new ATOM 0 HA2 GLY A 115 27.208 9.431 -26.652 1.00 0.00 H new ATOM 0 HA3 GLY A 115 26.118 10.693 -26.112 1.00 0.00 H new ATOM 1700 N PRO A 116 28.386 11.463 -27.712 1.00 0.00 N ATOM 1701 CA PRO A 116 29.343 12.428 -28.227 1.00 0.00 C ATOM 1702 C PRO A 116 28.776 13.848 -28.167 1.00 0.00 C ATOM 1703 O PRO A 116 27.571 14.045 -28.309 1.00 0.00 O ATOM 1704 CB PRO A 116 29.641 11.967 -29.645 1.00 0.00 C ATOM 1705 CG PRO A 116 28.500 11.040 -30.031 1.00 0.00 C ATOM 1706 CD PRO A 116 27.742 10.681 -28.763 1.00 0.00 C ATOM 0 HA PRO A 116 30.257 12.471 -27.635 1.00 0.00 H new ATOM 0 HB2 PRO A 116 29.702 12.815 -30.327 1.00 0.00 H new ATOM 0 HB3 PRO A 116 30.599 11.449 -29.694 1.00 0.00 H new ATOM 0 HG2 PRO A 116 27.838 11.527 -30.747 1.00 0.00 H new ATOM 0 HG3 PRO A 116 28.885 10.141 -30.513 1.00 0.00 H new ATOM 0 HD2 PRO A 116 26.684 10.930 -28.850 1.00 0.00 H new ATOM 0 HD3 PRO A 116 27.802 9.613 -28.555 1.00 0.00 H new ATOM 1714 N SER A 117 29.673 14.800 -27.957 1.00 0.00 N ATOM 1715 CA SER A 117 29.278 16.196 -27.877 1.00 0.00 C ATOM 1716 C SER A 117 30.174 17.046 -28.779 1.00 0.00 C ATOM 1717 O SER A 117 31.232 16.593 -29.214 1.00 0.00 O ATOM 1718 CB SER A 117 29.341 16.704 -26.435 1.00 0.00 C ATOM 1719 OG SER A 117 30.647 16.575 -25.880 1.00 0.00 O ATOM 0 H SER A 117 30.672 14.632 -27.840 1.00 0.00 H new ATOM 0 HA SER A 117 28.246 16.280 -28.219 1.00 0.00 H new ATOM 0 HB2 SER A 117 29.036 17.750 -26.406 1.00 0.00 H new ATOM 0 HB3 SER A 117 28.631 16.148 -25.823 1.00 0.00 H new ATOM 0 HG SER A 117 30.646 16.912 -24.960 1.00 0.00 H new ATOM 1725 N SER A 118 29.719 18.264 -29.033 1.00 0.00 N ATOM 1726 CA SER A 118 30.466 19.182 -29.876 1.00 0.00 C ATOM 1727 C SER A 118 30.573 20.548 -29.195 1.00 0.00 C ATOM 1728 O SER A 118 29.807 20.852 -28.282 1.00 0.00 O ATOM 1729 CB SER A 118 29.812 19.324 -31.251 1.00 0.00 C ATOM 1730 OG SER A 118 28.462 19.772 -31.157 1.00 0.00 O ATOM 0 H SER A 118 28.842 18.637 -28.670 1.00 0.00 H new ATOM 0 HA SER A 118 31.467 18.776 -30.021 1.00 0.00 H new ATOM 0 HB2 SER A 118 30.386 20.027 -31.854 1.00 0.00 H new ATOM 0 HB3 SER A 118 29.840 18.364 -31.767 1.00 0.00 H new ATOM 0 HG SER A 118 28.080 19.852 -32.056 1.00 0.00 H new ATOM 1736 N GLY A 119 31.529 21.335 -29.666 1.00 0.00 N ATOM 1737 CA GLY A 119 31.746 22.662 -29.114 1.00 0.00 C ATOM 1738 C GLY A 119 32.588 23.519 -30.062 1.00 0.00 C ATOM 1739 O GLY A 119 32.192 23.764 -31.200 1.00 0.00 O ATOM 0 H GLY A 119 32.162 21.079 -30.424 1.00 0.00 H new ATOM 0 HA2 GLY A 119 30.786 23.147 -28.935 1.00 0.00 H new ATOM 0 HA3 GLY A 119 32.247 22.581 -28.149 1.00 0.00 H new TER 1743 GLY A 119