USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot 148:sc= -1.45! USER MOD Set 1.2: A 70 GLN : amide:sc= 0.837 K(o=-0.61,f=-7!) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.0389 USER MOD Set 2.2: A 75 THR OG1 : rot 69:sc= 0.0374 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.546 USER MOD Set 3.2: A 102 THR OG1 : rot 144:sc= 0.0918 USER MOD Single : A 1 GLU N :NH3+ -97:sc= 0.0478 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -61:sc= -0.0339! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -101:sc= -0.0555 (180deg=-0.387) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -9.39! C(o=-9.4!,f=-19!) USER MOD Single : A 34 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc=-0.00452 X(o=-0.0045,f=-0.075) USER MOD Single : A 48 ASN : amide:sc= -7.3! C(o=-7.3!,f=-15!) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.437 (180deg=-2.19!) USER MOD Single : A 52 SER OG : rot 63:sc= 0.742 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -140:sc= 0.00211 USER MOD Single : A 61 HIS : no HE2:sc= -0.79! C(o=-0.79!,f=-10!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.236) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 100:sc= -3.02! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 41:sc= 0.54 USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.33 USER MOD Single : A 85 TYR OH : rot -11:sc= 0.091 USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 147:sc= -11! (180deg=-16.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.371 16.492 2.757 1.00 0.00 N ATOM 2 CA GLU A 1 3.209 16.130 1.898 1.00 0.00 C ATOM 3 C GLU A 1 2.721 14.727 2.268 1.00 0.00 C ATOM 4 O GLU A 1 3.461 13.921 2.794 1.00 0.00 O ATOM 5 CB GLU A 1 3.633 16.151 0.428 1.00 0.00 C ATOM 6 CG GLU A 1 2.428 16.498 -0.448 1.00 0.00 C ATOM 7 CD GLU A 1 2.806 17.620 -1.418 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.958 17.668 -1.817 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.938 18.412 -1.745 1.00 0.00 O ATOM 0 H1 GLU A 1 4.044 17.066 3.560 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.823 15.626 3.113 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.059 17.037 2.199 1.00 0.00 H new ATOM 0 HA GLU A 1 2.404 16.849 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.427 16.883 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.036 15.180 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.103 15.618 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.590 16.809 0.175 1.00 0.00 H new ATOM 18 N THR A 2 1.479 14.430 1.998 1.00 0.00 N ATOM 19 CA THR A 2 0.946 13.080 2.336 1.00 0.00 C ATOM 20 C THR A 2 0.255 12.484 1.109 1.00 0.00 C ATOM 21 O THR A 2 -0.448 13.165 0.389 1.00 0.00 O ATOM 22 CB THR A 2 -0.063 13.203 3.482 1.00 0.00 C ATOM 23 OG1 THR A 2 0.089 14.469 4.108 1.00 0.00 O ATOM 24 CG2 THR A 2 0.184 12.092 4.505 1.00 0.00 C ATOM 0 H THR A 2 0.811 15.063 1.558 1.00 0.00 H new ATOM 0 HA THR A 2 1.766 12.430 2.642 1.00 0.00 H new ATOM 0 HB THR A 2 -1.075 13.110 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.557 14.551 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.535 12.181 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.068 11.121 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.195 12.181 4.902 1.00 0.00 H new ATOM 32 N TYR A 3 0.451 11.218 0.862 1.00 0.00 N ATOM 33 CA TYR A 3 -0.193 10.582 -0.321 1.00 0.00 C ATOM 34 C TYR A 3 -1.246 9.575 0.149 1.00 0.00 C ATOM 35 O TYR A 3 -1.131 8.991 1.208 1.00 0.00 O ATOM 36 CB TYR A 3 0.869 9.857 -1.151 1.00 0.00 C ATOM 37 CG TYR A 3 1.828 10.865 -1.738 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.705 11.566 -0.902 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.842 11.095 -3.119 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.597 12.498 -1.448 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.734 12.027 -3.664 1.00 0.00 C ATOM 42 CZ TYR A 3 3.612 12.728 -2.828 1.00 0.00 C ATOM 43 OH TYR A 3 4.493 13.644 -3.365 1.00 0.00 O ATOM 0 H TYR A 3 1.029 10.597 1.428 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.671 11.350 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.410 9.146 -0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.394 9.285 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.694 11.388 0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.165 10.554 -3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.274 13.039 -0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.745 12.205 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 3 4.374 13.682 -4.337 1.00 0.00 H new ATOM 53 N THR A 4 -2.272 9.368 -0.631 1.00 0.00 N ATOM 54 CA THR A 4 -3.331 8.398 -0.231 1.00 0.00 C ATOM 55 C THR A 4 -3.877 7.699 -1.477 1.00 0.00 C ATOM 56 O THR A 4 -4.492 8.313 -2.327 1.00 0.00 O ATOM 57 CB THR A 4 -4.465 9.145 0.475 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.934 9.893 1.560 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.493 8.141 1.000 1.00 0.00 C ATOM 0 H THR A 4 -2.423 9.829 -1.528 1.00 0.00 H new ATOM 0 HA THR A 4 -2.909 7.655 0.446 1.00 0.00 H new ATOM 0 HB THR A 4 -4.949 9.820 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.659 10.373 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.300 8.675 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.901 7.568 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.012 7.463 1.705 1.00 0.00 H new ATOM 67 N VAL A 5 -3.657 6.418 -1.595 1.00 0.00 N ATOM 68 CA VAL A 5 -4.161 5.681 -2.786 1.00 0.00 C ATOM 69 C VAL A 5 -5.550 5.114 -2.488 1.00 0.00 C ATOM 70 O VAL A 5 -5.701 3.953 -2.163 1.00 0.00 O ATOM 71 CB VAL A 5 -3.202 4.537 -3.113 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.946 5.097 -3.782 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.812 3.818 -1.820 1.00 0.00 C ATOM 0 H VAL A 5 -3.149 5.850 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.224 6.360 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.690 3.835 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.263 4.280 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.223 5.612 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.456 5.799 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.128 3.001 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.324 4.521 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.706 3.418 -1.342 1.00 0.00 H new ATOM 83 N LYS A 6 -6.569 5.923 -2.597 1.00 0.00 N ATOM 84 CA LYS A 6 -7.946 5.426 -2.321 1.00 0.00 C ATOM 85 C LYS A 6 -8.136 4.062 -2.985 1.00 0.00 C ATOM 86 O LYS A 6 -8.197 3.953 -4.194 1.00 0.00 O ATOM 87 CB LYS A 6 -8.970 6.412 -2.885 1.00 0.00 C ATOM 88 CG LYS A 6 -8.782 7.778 -2.223 1.00 0.00 C ATOM 89 CD LYS A 6 -9.603 8.826 -2.975 1.00 0.00 C ATOM 90 CE LYS A 6 -9.153 8.873 -4.436 1.00 0.00 C ATOM 91 NZ LYS A 6 -8.906 10.288 -4.833 1.00 0.00 N ATOM 0 H LYS A 6 -6.507 6.905 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.088 5.332 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.850 6.500 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.981 6.045 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.095 7.735 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.728 8.054 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.664 8.582 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.475 9.805 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.246 8.283 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.916 8.432 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.600 10.321 -5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.782 10.838 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.164 10.694 -4.228 1.00 0.00 H new ATOM 105 N LEU A 7 -8.234 3.021 -2.207 1.00 0.00 N ATOM 106 CA LEU A 7 -8.424 1.669 -2.795 1.00 0.00 C ATOM 107 C LEU A 7 -9.920 1.373 -2.913 1.00 0.00 C ATOM 108 O LEU A 7 -10.506 0.738 -2.059 1.00 0.00 O ATOM 109 CB LEU A 7 -7.760 0.613 -1.905 1.00 0.00 C ATOM 110 CG LEU A 7 -7.851 1.021 -0.434 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.967 -0.231 0.438 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.592 1.799 -0.041 1.00 0.00 C ATOM 0 H LEU A 7 -8.191 3.049 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.966 1.639 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.245 -0.352 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.715 0.492 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.729 1.650 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.032 0.060 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.863 -0.786 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.089 -0.860 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.657 2.090 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.714 1.170 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.508 2.692 -0.661 1.00 0.00 H new ATOM 124 N GLY A 8 -10.543 1.826 -3.967 1.00 0.00 N ATOM 125 CA GLY A 8 -12.001 1.569 -4.140 1.00 0.00 C ATOM 126 C GLY A 8 -12.663 2.779 -4.803 1.00 0.00 C ATOM 127 O GLY A 8 -12.915 3.785 -4.170 1.00 0.00 O ATOM 0 H GLY A 8 -10.105 2.363 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.153 0.679 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.463 1.374 -3.172 1.00 0.00 H new ATOM 131 N SER A 9 -12.947 2.689 -6.074 1.00 0.00 N ATOM 132 CA SER A 9 -13.593 3.835 -6.774 1.00 0.00 C ATOM 133 C SER A 9 -14.815 4.296 -5.978 1.00 0.00 C ATOM 134 O SER A 9 -14.752 5.241 -5.218 1.00 0.00 O ATOM 135 CB SER A 9 -14.031 3.399 -8.173 1.00 0.00 C ATOM 136 OG SER A 9 -15.048 2.412 -8.060 1.00 0.00 O ATOM 0 H SER A 9 -12.760 1.873 -6.657 1.00 0.00 H new ATOM 0 HA SER A 9 -12.881 4.657 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.401 4.257 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.180 3.000 -8.725 1.00 0.00 H new ATOM 0 HG SER A 9 -14.694 1.630 -7.588 1.00 0.00 H new ATOM 142 N ASP A 10 -15.928 3.635 -6.145 1.00 0.00 N ATOM 143 CA ASP A 10 -17.152 4.038 -5.394 1.00 0.00 C ATOM 144 C ASP A 10 -18.289 3.062 -5.708 1.00 0.00 C ATOM 145 O ASP A 10 -18.424 2.031 -5.080 1.00 0.00 O ATOM 146 CB ASP A 10 -17.567 5.456 -5.799 1.00 0.00 C ATOM 147 CG ASP A 10 -17.129 5.735 -7.238 1.00 0.00 C ATOM 148 OD1 ASP A 10 -16.011 6.191 -7.418 1.00 0.00 O ATOM 149 OD2 ASP A 10 -17.918 5.490 -8.135 1.00 0.00 O ATOM 0 H ASP A 10 -16.043 2.835 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.940 4.018 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.648 5.567 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.115 6.183 -5.124 1.00 0.00 H new ATOM 154 N LYS A 11 -19.110 3.377 -6.674 1.00 0.00 N ATOM 155 CA LYS A 11 -20.235 2.462 -7.020 1.00 0.00 C ATOM 156 C LYS A 11 -19.862 1.631 -8.249 1.00 0.00 C ATOM 157 O LYS A 11 -20.577 1.602 -9.230 1.00 0.00 O ATOM 158 CB LYS A 11 -21.490 3.285 -7.323 1.00 0.00 C ATOM 159 CG LYS A 11 -22.708 2.617 -6.679 1.00 0.00 C ATOM 160 CD LYS A 11 -23.943 3.498 -6.884 1.00 0.00 C ATOM 161 CE LYS A 11 -25.200 2.716 -6.498 1.00 0.00 C ATOM 162 NZ LYS A 11 -26.169 2.746 -7.630 1.00 0.00 N ATOM 0 H LYS A 11 -19.050 4.226 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.430 1.797 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -21.374 4.299 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -21.634 3.365 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.872 1.634 -7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -22.531 2.463 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.863 4.400 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -24.006 3.817 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -24.940 1.686 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -25.652 3.150 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -27.024 2.215 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -26.425 3.732 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -25.735 2.313 -8.470 1.00 0.00 H new ATOM 176 N GLY A 12 -18.749 0.952 -8.202 1.00 0.00 N ATOM 177 CA GLY A 12 -18.333 0.120 -9.366 1.00 0.00 C ATOM 178 C GLY A 12 -17.569 -1.106 -8.864 1.00 0.00 C ATOM 179 O GLY A 12 -18.120 -2.179 -8.723 1.00 0.00 O ATOM 0 H GLY A 12 -18.109 0.937 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.208 -0.191 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.705 0.704 -10.039 1.00 0.00 H new ATOM 183 N LEU A 13 -16.304 -0.951 -8.590 1.00 0.00 N ATOM 184 CA LEU A 13 -15.502 -2.102 -8.091 1.00 0.00 C ATOM 185 C LEU A 13 -14.469 -1.594 -7.083 1.00 0.00 C ATOM 186 O LEU A 13 -14.611 -0.525 -6.522 1.00 0.00 O ATOM 187 CB LEU A 13 -14.784 -2.776 -9.263 1.00 0.00 C ATOM 188 CG LEU A 13 -14.836 -4.296 -9.092 1.00 0.00 C ATOM 189 CD1 LEU A 13 -16.293 -4.755 -9.013 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.155 -4.966 -10.288 1.00 0.00 C ATOM 0 H LEU A 13 -15.790 -0.076 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 13 -16.161 -2.825 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.254 -2.490 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.748 -2.440 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.319 -4.575 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.327 -5.838 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.779 -4.279 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -16.812 -4.476 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.191 -6.049 -10.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.672 -4.685 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.116 -4.642 -10.344 1.00 0.00 H new ATOM 202 N LEU A 14 -13.430 -2.345 -6.850 1.00 0.00 N ATOM 203 CA LEU A 14 -12.394 -1.897 -5.879 1.00 0.00 C ATOM 204 C LEU A 14 -11.049 -1.768 -6.594 1.00 0.00 C ATOM 205 O LEU A 14 -10.568 -2.703 -7.200 1.00 0.00 O ATOM 206 CB LEU A 14 -12.277 -2.920 -4.749 1.00 0.00 C ATOM 207 CG LEU A 14 -13.619 -3.035 -4.027 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.619 -4.283 -3.143 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.839 -1.793 -3.160 1.00 0.00 C ATOM 0 H LEU A 14 -13.253 -3.248 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.678 -0.930 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.983 -3.890 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.499 -2.617 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.421 -3.112 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.576 -4.364 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.463 -5.167 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.817 -4.208 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.796 -1.874 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.037 -1.715 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.841 -0.904 -3.791 1.00 0.00 H new ATOM 221 N VAL A 15 -10.439 -0.616 -6.529 1.00 0.00 N ATOM 222 CA VAL A 15 -9.125 -0.429 -7.207 1.00 0.00 C ATOM 223 C VAL A 15 -8.368 0.720 -6.537 1.00 0.00 C ATOM 224 O VAL A 15 -8.959 1.598 -5.939 1.00 0.00 O ATOM 225 CB VAL A 15 -9.356 -0.093 -8.682 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.975 -1.298 -9.392 1.00 0.00 C ATOM 227 CG2 VAL A 15 -10.306 1.103 -8.790 1.00 0.00 C ATOM 0 H VAL A 15 -10.794 0.203 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.541 -1.346 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.403 0.154 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.139 -1.057 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.300 -2.151 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.928 -1.546 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.471 1.343 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.258 0.855 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.866 1.964 -8.286 1.00 0.00 H new ATOM 237 N PHE A 16 -7.066 0.726 -6.635 1.00 0.00 N ATOM 238 CA PHE A 16 -6.281 1.825 -6.007 1.00 0.00 C ATOM 239 C PHE A 16 -6.546 3.135 -6.748 1.00 0.00 C ATOM 240 O PHE A 16 -6.931 3.143 -7.900 1.00 0.00 O ATOM 241 CB PHE A 16 -4.788 1.499 -6.074 1.00 0.00 C ATOM 242 CG PHE A 16 -4.374 0.764 -4.821 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.555 1.365 -3.569 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.805 -0.512 -4.910 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.167 0.690 -2.406 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.417 -1.187 -3.746 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.599 -0.586 -2.494 1.00 0.00 C ATOM 0 H PHE A 16 -6.514 0.019 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.583 1.928 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.578 0.889 -6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.209 2.417 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.994 2.349 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.665 -0.975 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.306 1.154 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.977 -2.171 -3.814 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.301 -1.107 -1.596 1.00 0.00 H new ATOM 257 N GLU A 17 -6.340 4.242 -6.092 1.00 0.00 N ATOM 258 CA GLU A 17 -6.575 5.557 -6.750 1.00 0.00 C ATOM 259 C GLU A 17 -5.760 6.636 -6.028 1.00 0.00 C ATOM 260 O GLU A 17 -6.154 7.101 -4.977 1.00 0.00 O ATOM 261 CB GLU A 17 -8.062 5.910 -6.668 1.00 0.00 C ATOM 262 CG GLU A 17 -8.789 5.365 -7.899 1.00 0.00 C ATOM 263 CD GLU A 17 -10.196 5.961 -7.962 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.305 7.176 -7.928 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.141 5.193 -8.042 1.00 0.00 O ATOM 0 H GLU A 17 -6.018 4.293 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.270 5.501 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.496 5.489 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.186 6.991 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.235 5.616 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.844 4.277 -7.851 1.00 0.00 H new ATOM 272 N PRO A 18 -4.643 7.003 -6.608 1.00 0.00 N ATOM 273 CA PRO A 18 -4.161 6.441 -7.883 1.00 0.00 C ATOM 274 C PRO A 18 -3.536 5.062 -7.661 1.00 0.00 C ATOM 275 O PRO A 18 -3.475 4.569 -6.552 1.00 0.00 O ATOM 276 CB PRO A 18 -3.100 7.447 -8.335 1.00 0.00 C ATOM 277 CG PRO A 18 -2.635 8.196 -7.068 1.00 0.00 C ATOM 278 CD PRO A 18 -3.751 8.024 -6.027 1.00 0.00 C ATOM 0 HA PRO A 18 -4.956 6.300 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.263 6.939 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.512 8.142 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.694 7.788 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.463 9.251 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.351 7.701 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.280 8.961 -5.854 1.00 0.00 H new ATOM 286 N ALA A 19 -3.067 4.438 -8.706 1.00 0.00 N ATOM 287 CA ALA A 19 -2.444 3.098 -8.556 1.00 0.00 C ATOM 288 C ALA A 19 -0.932 3.257 -8.377 1.00 0.00 C ATOM 289 O ALA A 19 -0.356 2.774 -7.423 1.00 0.00 O ATOM 290 CB ALA A 19 -2.728 2.259 -9.803 1.00 0.00 C ATOM 0 H ALA A 19 -3.090 4.801 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.862 2.598 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.270 1.276 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.805 2.146 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.311 2.756 -10.679 1.00 0.00 H new ATOM 296 N LYS A 20 -0.286 3.934 -9.288 1.00 0.00 N ATOM 297 CA LYS A 20 1.189 4.126 -9.171 1.00 0.00 C ATOM 298 C LYS A 20 1.478 5.305 -8.241 1.00 0.00 C ATOM 299 O LYS A 20 0.673 6.202 -8.094 1.00 0.00 O ATOM 300 CB LYS A 20 1.775 4.416 -10.554 1.00 0.00 C ATOM 301 CG LYS A 20 2.665 3.249 -10.986 1.00 0.00 C ATOM 302 CD LYS A 20 3.739 3.756 -11.950 1.00 0.00 C ATOM 303 CE LYS A 20 3.083 4.197 -13.258 1.00 0.00 C ATOM 304 NZ LYS A 20 2.933 5.679 -13.262 1.00 0.00 N ATOM 0 H LYS A 20 -0.715 4.362 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 20 1.642 3.222 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.973 4.562 -11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.354 5.339 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.131 2.791 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.064 2.478 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.280 4.590 -11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.469 2.970 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.689 3.880 -14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.108 3.722 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.951 5.929 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.575 6.095 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.168 6.049 -14.205 1.00 0.00 H new ATOM 318 N LEU A 21 2.622 5.314 -7.608 1.00 0.00 N ATOM 319 CA LEU A 21 2.950 6.440 -6.690 1.00 0.00 C ATOM 320 C LEU A 21 4.465 6.532 -6.493 1.00 0.00 C ATOM 321 O LEU A 21 5.066 5.711 -5.827 1.00 0.00 O ATOM 322 CB LEU A 21 2.276 6.204 -5.336 1.00 0.00 C ATOM 323 CG LEU A 21 1.947 7.549 -4.688 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.433 7.681 -4.526 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.611 7.629 -3.311 1.00 0.00 C ATOM 0 H LEU A 21 3.339 4.593 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 21 2.589 7.372 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.365 5.620 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.934 5.627 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 21 2.319 8.355 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.199 8.640 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.044 7.623 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.063 6.874 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.376 8.588 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.239 6.822 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.691 7.534 -3.422 1.00 0.00 H new ATOM 337 N THR A 22 5.087 7.533 -7.058 1.00 0.00 N ATOM 338 CA THR A 22 6.560 7.687 -6.891 1.00 0.00 C ATOM 339 C THR A 22 6.829 8.565 -5.669 1.00 0.00 C ATOM 340 O THR A 22 6.681 9.770 -5.712 1.00 0.00 O ATOM 341 CB THR A 22 7.155 8.348 -8.137 1.00 0.00 C ATOM 342 OG1 THR A 22 7.001 7.480 -9.251 1.00 0.00 O ATOM 343 CG2 THR A 22 8.641 8.626 -7.905 1.00 0.00 C ATOM 0 H THR A 22 4.638 8.250 -7.628 1.00 0.00 H new ATOM 0 HA THR A 22 7.019 6.708 -6.754 1.00 0.00 H new ATOM 0 HB THR A 22 6.638 9.287 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.380 7.903 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.066 9.097 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.757 9.292 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.160 7.688 -7.708 1.00 0.00 H new ATOM 351 N ILE A 23 7.209 7.969 -4.574 1.00 0.00 N ATOM 352 CA ILE A 23 7.470 8.765 -3.345 1.00 0.00 C ATOM 353 C ILE A 23 8.972 8.927 -3.122 1.00 0.00 C ATOM 354 O ILE A 23 9.783 8.439 -3.883 1.00 0.00 O ATOM 355 CB ILE A 23 6.862 8.051 -2.137 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.192 6.555 -2.204 1.00 0.00 C ATOM 357 CG2 ILE A 23 5.347 8.240 -2.151 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.720 6.080 -0.847 1.00 0.00 C ATOM 0 H ILE A 23 7.350 6.963 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 23 7.019 9.750 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 23 7.275 8.470 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.302 5.989 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.936 6.372 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.909 7.733 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.113 9.303 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.936 7.819 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.953 5.017 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.622 6.637 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.962 6.248 -0.082 1.00 0.00 H new ATOM 370 N LYS A 24 9.343 9.604 -2.069 1.00 0.00 N ATOM 371 CA LYS A 24 10.788 9.793 -1.769 1.00 0.00 C ATOM 372 C LYS A 24 11.220 8.692 -0.793 1.00 0.00 C ATOM 373 O LYS A 24 10.435 7.820 -0.476 1.00 0.00 O ATOM 374 CB LYS A 24 11.009 11.179 -1.143 1.00 0.00 C ATOM 375 CG LYS A 24 9.903 12.141 -1.593 1.00 0.00 C ATOM 376 CD LYS A 24 10.444 13.573 -1.607 1.00 0.00 C ATOM 377 CE LYS A 24 9.766 14.367 -2.726 1.00 0.00 C ATOM 378 NZ LYS A 24 10.534 14.197 -3.991 1.00 0.00 N ATOM 0 H LYS A 24 8.703 10.035 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 24 11.380 9.731 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.013 11.100 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.983 11.569 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.549 11.865 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.049 12.070 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.260 14.051 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.524 13.563 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.741 14.022 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.715 15.422 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.074 14.736 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.505 14.546 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.561 13.190 -4.248 1.00 0.00 H new ATOM 392 N PRO A 25 12.448 8.746 -0.346 1.00 0.00 N ATOM 393 CA PRO A 25 12.983 7.742 0.588 1.00 0.00 C ATOM 394 C PRO A 25 12.498 8.019 2.012 1.00 0.00 C ATOM 395 O PRO A 25 13.233 8.514 2.844 1.00 0.00 O ATOM 396 CB PRO A 25 14.499 7.911 0.469 1.00 0.00 C ATOM 397 CG PRO A 25 14.741 9.337 -0.079 1.00 0.00 C ATOM 398 CD PRO A 25 13.416 9.798 -0.719 1.00 0.00 C ATOM 0 HA PRO A 25 12.659 6.726 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.981 7.781 1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.921 7.161 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.040 10.014 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.546 9.338 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.109 10.773 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.507 9.890 -1.801 1.00 0.00 H new ATOM 406 N GLY A 26 11.266 7.693 2.302 1.00 0.00 N ATOM 407 CA GLY A 26 10.740 7.927 3.675 1.00 0.00 C ATOM 408 C GLY A 26 9.521 8.848 3.622 1.00 0.00 C ATOM 409 O GLY A 26 9.381 9.754 4.419 1.00 0.00 O ATOM 0 H GLY A 26 10.604 7.276 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.468 6.977 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.515 8.373 4.298 1.00 0.00 H new ATOM 413 N ASP A 27 8.631 8.616 2.699 1.00 0.00 N ATOM 414 CA ASP A 27 7.415 9.470 2.609 1.00 0.00 C ATOM 415 C ASP A 27 6.284 8.804 3.392 1.00 0.00 C ATOM 416 O ASP A 27 6.463 7.761 3.990 1.00 0.00 O ATOM 417 CB ASP A 27 6.999 9.618 1.145 1.00 0.00 C ATOM 418 CG ASP A 27 7.693 10.837 0.535 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.753 11.196 1.020 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.151 11.391 -0.408 1.00 0.00 O ATOM 0 H ASP A 27 8.693 7.873 2.003 1.00 0.00 H new ATOM 0 HA ASP A 27 7.626 10.455 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.265 8.719 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.917 9.729 1.073 1.00 0.00 H new ATOM 425 N THR A 28 5.122 9.392 3.394 1.00 0.00 N ATOM 426 CA THR A 28 3.990 8.786 4.137 1.00 0.00 C ATOM 427 C THR A 28 2.870 8.427 3.159 1.00 0.00 C ATOM 428 O THR A 28 2.409 9.253 2.397 1.00 0.00 O ATOM 429 CB THR A 28 3.467 9.779 5.177 1.00 0.00 C ATOM 430 OG1 THR A 28 4.536 10.179 6.024 1.00 0.00 O ATOM 431 CG2 THR A 28 2.374 9.113 6.014 1.00 0.00 C ATOM 0 H THR A 28 4.909 10.266 2.913 1.00 0.00 H new ATOM 0 HA THR A 28 4.331 7.883 4.643 1.00 0.00 H new ATOM 0 HB THR A 28 3.054 10.653 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.204 10.816 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.001 9.820 6.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.556 8.804 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.785 8.240 6.521 1.00 0.00 H new ATOM 439 N VAL A 29 2.431 7.199 3.173 1.00 0.00 N ATOM 440 CA VAL A 29 1.347 6.783 2.246 1.00 0.00 C ATOM 441 C VAL A 29 0.142 6.300 3.057 1.00 0.00 C ATOM 442 O VAL A 29 0.280 5.545 3.999 1.00 0.00 O ATOM 443 CB VAL A 29 1.845 5.649 1.344 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.164 5.746 -0.022 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.360 5.764 1.161 1.00 0.00 C ATOM 0 H VAL A 29 2.779 6.465 3.790 1.00 0.00 H new ATOM 0 HA VAL A 29 1.054 7.632 1.628 1.00 0.00 H new ATOM 0 HB VAL A 29 1.606 4.691 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.519 4.939 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.084 5.663 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.403 6.706 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.711 4.956 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.599 6.723 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.850 5.695 2.132 1.00 0.00 H new ATOM 455 N GLU A 30 -1.038 6.732 2.703 1.00 0.00 N ATOM 456 CA GLU A 30 -2.243 6.301 3.457 1.00 0.00 C ATOM 457 C GLU A 30 -3.031 5.278 2.635 1.00 0.00 C ATOM 458 O GLU A 30 -3.152 5.391 1.431 1.00 0.00 O ATOM 459 CB GLU A 30 -3.127 7.516 3.746 1.00 0.00 C ATOM 460 CG GLU A 30 -3.965 7.254 4.999 1.00 0.00 C ATOM 461 CD GLU A 30 -4.152 8.563 5.769 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.217 9.345 5.805 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.228 8.761 6.309 1.00 0.00 O ATOM 0 H GLU A 30 -1.217 7.365 1.923 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.934 5.844 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.509 8.403 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.779 7.715 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.935 6.841 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.473 6.515 5.631 1.00 0.00 H new ATOM 470 N PHE A 31 -3.568 4.280 3.282 1.00 0.00 N ATOM 471 CA PHE A 31 -4.353 3.243 2.551 1.00 0.00 C ATOM 472 C PHE A 31 -5.650 2.974 3.322 1.00 0.00 C ATOM 473 O PHE A 31 -5.668 2.213 4.267 1.00 0.00 O ATOM 474 CB PHE A 31 -3.533 1.947 2.449 1.00 0.00 C ATOM 475 CG PHE A 31 -2.055 2.251 2.587 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.457 2.261 3.855 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.281 2.523 1.450 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.093 2.541 3.984 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.084 2.802 1.582 1.00 0.00 C ATOM 480 CZ PHE A 31 0.677 2.811 2.850 1.00 0.00 C ATOM 0 H PHE A 31 -3.497 4.137 4.289 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.585 3.594 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.843 1.250 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.724 1.461 1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.050 2.052 4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.738 2.517 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.366 2.549 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.680 3.010 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.730 3.027 2.952 1.00 0.00 H new ATOM 490 N LEU A 32 -6.731 3.603 2.935 1.00 0.00 N ATOM 491 CA LEU A 32 -8.022 3.403 3.658 1.00 0.00 C ATOM 492 C LEU A 32 -8.897 2.392 2.920 1.00 0.00 C ATOM 493 O LEU A 32 -8.619 2.008 1.803 1.00 0.00 O ATOM 494 CB LEU A 32 -8.763 4.739 3.748 1.00 0.00 C ATOM 495 CG LEU A 32 -7.760 5.862 4.015 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.694 6.789 2.800 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.205 6.661 5.241 1.00 0.00 C ATOM 0 H LEU A 32 -6.774 4.249 2.146 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.810 3.024 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.302 4.931 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.505 4.702 4.546 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.775 5.433 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.979 7.589 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.377 6.221 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.679 7.219 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.491 7.462 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.190 7.090 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.252 6.002 6.108 1.00 0.00 H new ATOM 509 N ASN A 33 -9.953 1.952 3.551 1.00 0.00 N ATOM 510 CA ASN A 33 -10.854 0.957 2.907 1.00 0.00 C ATOM 511 C ASN A 33 -12.015 1.685 2.219 1.00 0.00 C ATOM 512 O ASN A 33 -12.392 2.774 2.605 1.00 0.00 O ATOM 513 CB ASN A 33 -11.368 -0.019 3.984 1.00 0.00 C ATOM 514 CG ASN A 33 -12.672 0.465 4.622 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.055 1.609 4.495 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.363 -0.375 5.334 1.00 0.00 N ATOM 0 H ASN A 33 -10.230 2.241 4.489 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.314 0.390 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.526 -1.001 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.609 -0.138 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.226 -0.072 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.042 -1.337 5.442 1.00 0.00 H new ATOM 523 N ASN A 34 -12.588 1.095 1.205 1.00 0.00 N ATOM 524 CA ASN A 34 -13.725 1.761 0.507 1.00 0.00 C ATOM 525 C ASN A 34 -15.044 1.202 1.059 1.00 0.00 C ATOM 526 O ASN A 34 -15.245 1.152 2.256 1.00 0.00 O ATOM 527 CB ASN A 34 -13.625 1.500 -0.999 1.00 0.00 C ATOM 528 CG ASN A 34 -14.472 2.531 -1.750 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.307 3.720 -1.563 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.379 2.123 -2.595 1.00 0.00 N ATOM 0 H ASN A 34 -12.320 0.185 0.831 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.691 2.837 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.586 1.562 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.971 0.492 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.949 2.802 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.517 1.125 -2.752 1.00 0.00 H new ATOM 537 N LYS A 35 -15.947 0.779 0.210 1.00 0.00 N ATOM 538 CA LYS A 35 -17.234 0.229 0.718 1.00 0.00 C ATOM 539 C LYS A 35 -17.264 -1.284 0.491 1.00 0.00 C ATOM 540 O LYS A 35 -18.291 -1.859 0.189 1.00 0.00 O ATOM 541 CB LYS A 35 -18.402 0.887 -0.023 1.00 0.00 C ATOM 542 CG LYS A 35 -19.536 1.176 0.963 1.00 0.00 C ATOM 543 CD LYS A 35 -20.742 1.736 0.207 1.00 0.00 C ATOM 544 CE LYS A 35 -20.705 3.265 0.247 1.00 0.00 C ATOM 545 NZ LYS A 35 -21.220 3.809 -1.042 1.00 0.00 N ATOM 0 H LYS A 35 -15.847 0.792 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.324 0.437 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.072 1.812 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.756 0.232 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.816 0.263 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.203 1.889 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.730 1.388 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.667 1.372 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.309 3.632 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.685 3.610 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.195 4.848 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.626 3.469 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.199 3.490 -1.187 1.00 0.00 H new ATOM 559 N VAL A 36 -16.141 -1.934 0.637 1.00 0.00 N ATOM 560 CA VAL A 36 -16.097 -3.411 0.434 1.00 0.00 C ATOM 561 C VAL A 36 -14.928 -4.000 1.230 1.00 0.00 C ATOM 562 O VAL A 36 -13.966 -4.470 0.657 1.00 0.00 O ATOM 563 CB VAL A 36 -15.900 -3.716 -1.052 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.235 -5.185 -1.319 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.824 -2.822 -1.884 1.00 0.00 C ATOM 0 H VAL A 36 -15.250 -1.505 0.889 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.033 -3.852 0.777 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.863 -3.523 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.095 -5.404 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.577 -5.822 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.272 -5.378 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.684 -3.039 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.861 -3.014 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.586 -1.775 -1.694 1.00 0.00 H new ATOM 575 N PRO A 37 -15.047 -3.950 2.533 1.00 0.00 N ATOM 576 CA PRO A 37 -14.010 -4.466 3.446 1.00 0.00 C ATOM 577 C PRO A 37 -14.118 -5.989 3.587 1.00 0.00 C ATOM 578 O PRO A 37 -15.056 -6.590 3.103 1.00 0.00 O ATOM 579 CB PRO A 37 -14.342 -3.787 4.777 1.00 0.00 C ATOM 580 CG PRO A 37 -15.838 -3.394 4.709 1.00 0.00 C ATOM 581 CD PRO A 37 -16.222 -3.370 3.217 1.00 0.00 C ATOM 0 HA PRO A 37 -12.998 -4.262 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.156 -4.461 5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.716 -2.908 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.452 -4.111 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.003 -2.419 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.122 -3.955 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.423 -2.355 2.873 1.00 0.00 H new ATOM 589 N PRO A 38 -13.163 -6.561 4.281 1.00 0.00 N ATOM 590 CA PRO A 38 -12.026 -5.822 4.866 1.00 0.00 C ATOM 591 C PRO A 38 -10.902 -5.671 3.834 1.00 0.00 C ATOM 592 O PRO A 38 -10.880 -6.350 2.828 1.00 0.00 O ATOM 593 CB PRO A 38 -11.566 -6.734 6.004 1.00 0.00 C ATOM 594 CG PRO A 38 -12.044 -8.162 5.638 1.00 0.00 C ATOM 595 CD PRO A 38 -13.154 -8.004 4.581 1.00 0.00 C ATOM 0 HA PRO A 38 -12.292 -4.817 5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.482 -6.703 6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.991 -6.414 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.219 -8.757 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.421 -8.681 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.943 -8.595 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.119 -8.338 4.963 1.00 0.00 H new ATOM 603 N HIS A 39 -9.960 -4.797 4.083 1.00 0.00 N ATOM 604 CA HIS A 39 -8.836 -4.616 3.118 1.00 0.00 C ATOM 605 C HIS A 39 -7.507 -4.935 3.806 1.00 0.00 C ATOM 606 O HIS A 39 -7.292 -4.595 4.952 1.00 0.00 O ATOM 607 CB HIS A 39 -8.818 -3.171 2.615 1.00 0.00 C ATOM 608 CG HIS A 39 -10.009 -2.950 1.730 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.900 -2.890 0.344 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.342 -2.808 2.017 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.149 -2.722 -0.140 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.052 -2.673 0.837 1.00 0.00 N ATOM 0 H HIS A 39 -9.921 -4.203 4.911 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.976 -5.292 2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.840 -2.479 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.898 -2.975 2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.771 -2.802 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.386 -2.638 -1.190 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.061 -2.559 0.736 1.00 0.00 H new ATOM 620 N ASN A 40 -6.614 -5.588 3.112 1.00 0.00 N ATOM 621 CA ASN A 40 -5.299 -5.933 3.723 1.00 0.00 C ATOM 622 C ASN A 40 -4.170 -5.330 2.883 1.00 0.00 C ATOM 623 O ASN A 40 -4.084 -5.549 1.691 1.00 0.00 O ATOM 624 CB ASN A 40 -5.145 -7.455 3.769 1.00 0.00 C ATOM 625 CG ASN A 40 -4.467 -7.860 5.079 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.259 -7.971 5.143 1.00 0.00 O ATOM 627 ND2 ASN A 40 -5.199 -8.087 6.136 1.00 0.00 N ATOM 0 H ASN A 40 -6.739 -5.897 2.148 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.251 -5.531 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.122 -7.933 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.553 -7.797 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.756 -8.357 7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.213 -7.994 6.083 1.00 0.00 H new ATOM 634 N VAL A 41 -3.302 -4.573 3.496 1.00 0.00 N ATOM 635 CA VAL A 41 -2.177 -3.957 2.737 1.00 0.00 C ATOM 636 C VAL A 41 -0.855 -4.553 3.226 1.00 0.00 C ATOM 637 O VAL A 41 -0.622 -4.673 4.413 1.00 0.00 O ATOM 638 CB VAL A 41 -2.177 -2.441 2.969 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.831 -1.851 2.542 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.295 -1.800 2.143 1.00 0.00 C ATOM 0 H VAL A 41 -3.323 -4.354 4.492 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.295 -4.159 1.672 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.340 -2.240 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.836 -0.774 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.032 -2.305 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.664 -2.053 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.296 -0.722 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.130 -2.006 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.256 -2.214 2.448 1.00 0.00 H new ATOM 650 N VAL A 42 0.016 -4.926 2.327 1.00 0.00 N ATOM 651 CA VAL A 42 1.317 -5.510 2.762 1.00 0.00 C ATOM 652 C VAL A 42 2.360 -5.337 1.656 1.00 0.00 C ATOM 653 O VAL A 42 2.040 -5.014 0.528 1.00 0.00 O ATOM 654 CB VAL A 42 1.152 -7.005 3.071 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.936 -7.352 4.339 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.329 -7.340 3.287 1.00 0.00 C ATOM 0 H VAL A 42 -0.115 -4.852 1.318 1.00 0.00 H new ATOM 0 HA VAL A 42 1.647 -4.991 3.662 1.00 0.00 H new ATOM 0 HB VAL A 42 1.531 -7.584 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.820 -8.413 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.992 -7.126 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.556 -6.764 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.434 -8.403 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.715 -6.758 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.892 -7.098 2.386 1.00 0.00 H new ATOM 666 N PHE A 43 3.609 -5.553 1.973 1.00 0.00 N ATOM 667 CA PHE A 43 4.679 -5.407 0.947 1.00 0.00 C ATOM 668 C PHE A 43 5.396 -6.746 0.775 1.00 0.00 C ATOM 669 O PHE A 43 6.081 -7.214 1.663 1.00 0.00 O ATOM 670 CB PHE A 43 5.681 -4.343 1.402 1.00 0.00 C ATOM 671 CG PHE A 43 4.934 -3.168 1.972 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.413 -3.238 3.267 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.765 -2.008 1.209 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.721 -2.147 3.800 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.074 -0.916 1.745 1.00 0.00 C ATOM 676 CZ PHE A 43 3.553 -0.987 3.041 1.00 0.00 C ATOM 0 H PHE A 43 3.934 -5.825 2.901 1.00 0.00 H new ATOM 0 HA PHE A 43 4.238 -5.104 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.355 -4.758 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.297 -4.024 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.545 -4.134 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.167 -1.955 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.316 -2.201 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.943 -0.019 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.020 -0.144 3.455 1.00 0.00 H new ATOM 686 N ASP A 44 5.239 -7.369 -0.359 1.00 0.00 N ATOM 687 CA ASP A 44 5.906 -8.681 -0.587 1.00 0.00 C ATOM 688 C ASP A 44 7.348 -8.622 -0.081 1.00 0.00 C ATOM 689 O ASP A 44 8.018 -7.614 -0.195 1.00 0.00 O ATOM 690 CB ASP A 44 5.903 -9.004 -2.081 1.00 0.00 C ATOM 691 CG ASP A 44 6.052 -10.514 -2.275 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.130 -11.230 -1.919 1.00 0.00 O ATOM 693 OD2 ASP A 44 7.085 -10.928 -2.773 1.00 0.00 O ATOM 0 H ASP A 44 4.677 -7.026 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 44 5.365 -9.458 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.976 -8.657 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.719 -8.480 -2.579 1.00 0.00 H new ATOM 698 N ALA A 45 7.828 -9.697 0.481 1.00 0.00 N ATOM 699 CA ALA A 45 9.220 -9.714 1.000 1.00 0.00 C ATOM 700 C ALA A 45 10.175 -10.192 -0.097 1.00 0.00 C ATOM 701 O ALA A 45 11.375 -10.228 0.087 1.00 0.00 O ATOM 702 CB ALA A 45 9.304 -10.663 2.196 1.00 0.00 C ATOM 0 H ALA A 45 7.311 -10.568 0.603 1.00 0.00 H new ATOM 0 HA ALA A 45 9.502 -8.708 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.325 -10.677 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.628 -10.322 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.020 -11.668 1.884 1.00 0.00 H new ATOM 708 N ALA A 46 9.654 -10.562 -1.236 1.00 0.00 N ATOM 709 CA ALA A 46 10.540 -11.037 -2.336 1.00 0.00 C ATOM 710 C ALA A 46 10.532 -10.019 -3.478 1.00 0.00 C ATOM 711 O ALA A 46 11.044 -10.273 -4.550 1.00 0.00 O ATOM 712 CB ALA A 46 10.035 -12.386 -2.852 1.00 0.00 C ATOM 0 H ALA A 46 8.657 -10.556 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 46 11.556 -11.149 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.683 -12.733 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.044 -13.113 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.018 -12.274 -3.228 1.00 0.00 H new ATOM 718 N LEU A 47 9.956 -8.868 -3.261 1.00 0.00 N ATOM 719 CA LEU A 47 9.920 -7.841 -4.342 1.00 0.00 C ATOM 720 C LEU A 47 10.584 -6.553 -3.853 1.00 0.00 C ATOM 721 O LEU A 47 10.132 -5.463 -4.144 1.00 0.00 O ATOM 722 CB LEU A 47 8.468 -7.550 -4.726 1.00 0.00 C ATOM 723 CG LEU A 47 8.156 -8.204 -6.073 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.655 -9.631 -5.845 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.074 -7.397 -6.796 1.00 0.00 C ATOM 0 H LEU A 47 9.510 -8.595 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 47 10.458 -8.218 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.794 -7.932 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.305 -6.474 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 47 9.061 -8.228 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.433 -10.096 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.423 -10.209 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.751 -9.606 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.852 -7.864 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.170 -7.373 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.428 -6.379 -6.961 1.00 0.00 H new ATOM 737 N ASN A 48 11.656 -6.666 -3.117 1.00 0.00 N ATOM 738 CA ASN A 48 12.345 -5.441 -2.619 1.00 0.00 C ATOM 739 C ASN A 48 13.712 -5.314 -3.298 1.00 0.00 C ATOM 740 O ASN A 48 14.194 -6.255 -3.897 1.00 0.00 O ATOM 741 CB ASN A 48 12.528 -5.527 -1.100 1.00 0.00 C ATOM 742 CG ASN A 48 12.657 -6.990 -0.675 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.662 -7.620 -0.929 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.675 -7.559 -0.031 1.00 0.00 N ATOM 0 H ASN A 48 12.083 -7.550 -2.840 1.00 0.00 H new ATOM 0 HA ASN A 48 11.739 -4.566 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.417 -4.972 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.679 -5.066 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.752 -8.534 0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.830 -7.029 0.182 1.00 0.00 H new ATOM 751 N PRO A 49 14.293 -4.146 -3.187 1.00 0.00 N ATOM 752 CA PRO A 49 15.607 -3.853 -3.785 1.00 0.00 C ATOM 753 C PRO A 49 16.734 -4.477 -2.956 1.00 0.00 C ATOM 754 O PRO A 49 17.874 -4.510 -3.373 1.00 0.00 O ATOM 755 CB PRO A 49 15.684 -2.324 -3.754 1.00 0.00 C ATOM 756 CG PRO A 49 14.699 -1.861 -2.655 1.00 0.00 C ATOM 757 CD PRO A 49 13.693 -3.010 -2.455 1.00 0.00 C ATOM 0 HA PRO A 49 15.717 -4.261 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.698 -1.990 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.413 -1.902 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.228 -1.643 -1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.188 -0.946 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.559 -3.243 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.711 -2.754 -2.852 1.00 0.00 H new ATOM 765 N ALA A 50 16.428 -4.975 -1.788 1.00 0.00 N ATOM 766 CA ALA A 50 17.492 -5.595 -0.949 1.00 0.00 C ATOM 767 C ALA A 50 17.084 -7.019 -0.579 1.00 0.00 C ATOM 768 O ALA A 50 17.512 -7.557 0.423 1.00 0.00 O ATOM 769 CB ALA A 50 17.694 -4.768 0.323 1.00 0.00 C ATOM 0 H ALA A 50 15.493 -4.979 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 50 18.426 -5.621 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.473 -5.225 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.991 -3.754 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.762 -4.736 0.888 1.00 0.00 H new ATOM 775 N LYS A 51 16.268 -7.625 -1.396 1.00 0.00 N ATOM 776 CA LYS A 51 15.810 -9.024 -1.134 1.00 0.00 C ATOM 777 C LYS A 51 15.664 -9.263 0.373 1.00 0.00 C ATOM 778 O LYS A 51 15.937 -10.339 0.868 1.00 0.00 O ATOM 779 CB LYS A 51 16.831 -10.007 -1.710 1.00 0.00 C ATOM 780 CG LYS A 51 17.168 -9.605 -3.148 1.00 0.00 C ATOM 781 CD LYS A 51 18.682 -9.676 -3.360 1.00 0.00 C ATOM 782 CE LYS A 51 18.979 -10.143 -4.787 1.00 0.00 C ATOM 783 NZ LYS A 51 18.218 -11.394 -5.070 1.00 0.00 N ATOM 0 H LYS A 51 15.892 -7.206 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 51 14.841 -9.175 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.734 -10.009 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.429 -11.020 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.661 -10.267 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.810 -8.595 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.130 -8.698 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.128 -10.363 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.701 -9.367 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.048 -10.320 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.797 -12.027 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.986 -11.869 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.340 -11.159 -5.575 1.00 0.00 H new ATOM 797 N SER A 52 15.240 -8.270 1.107 1.00 0.00 N ATOM 798 CA SER A 52 15.083 -8.445 2.579 1.00 0.00 C ATOM 799 C SER A 52 13.598 -8.427 2.946 1.00 0.00 C ATOM 800 O SER A 52 12.760 -8.006 2.173 1.00 0.00 O ATOM 801 CB SER A 52 15.798 -7.306 3.308 1.00 0.00 C ATOM 802 OG SER A 52 17.201 -7.534 3.274 1.00 0.00 O ATOM 0 H SER A 52 14.996 -7.346 0.751 1.00 0.00 H new ATOM 0 HA SER A 52 15.518 -9.400 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.561 -6.352 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.453 -7.246 4.340 1.00 0.00 H new ATOM 0 HG SER A 52 17.511 -7.528 2.344 1.00 0.00 H new ATOM 808 N ALA A 53 13.267 -8.880 4.124 1.00 0.00 N ATOM 809 CA ALA A 53 11.840 -8.890 4.550 1.00 0.00 C ATOM 810 C ALA A 53 11.729 -8.305 5.960 1.00 0.00 C ATOM 811 O ALA A 53 11.062 -8.847 6.817 1.00 0.00 O ATOM 812 CB ALA A 53 11.318 -10.328 4.552 1.00 0.00 C ATOM 0 H ALA A 53 13.926 -9.245 4.812 1.00 0.00 H new ATOM 0 HA ALA A 53 11.248 -8.291 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.274 -10.336 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.400 -10.746 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.908 -10.928 5.245 1.00 0.00 H new ATOM 818 N ASP A 54 12.384 -7.202 6.206 1.00 0.00 N ATOM 819 CA ASP A 54 12.324 -6.583 7.556 1.00 0.00 C ATOM 820 C ASP A 54 11.563 -5.257 7.479 1.00 0.00 C ATOM 821 O ASP A 54 10.585 -5.050 8.170 1.00 0.00 O ATOM 822 CB ASP A 54 13.745 -6.330 8.062 1.00 0.00 C ATOM 823 CG ASP A 54 13.689 -5.655 9.434 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.975 -4.675 9.562 1.00 0.00 O ATOM 825 OD2 ASP A 54 14.363 -6.131 10.333 1.00 0.00 O ATOM 0 H ASP A 54 12.959 -6.704 5.526 1.00 0.00 H new ATOM 0 HA ASP A 54 11.808 -7.255 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.290 -7.271 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.286 -5.699 7.357 1.00 0.00 H new ATOM 830 N LEU A 55 12.004 -4.357 6.644 1.00 0.00 N ATOM 831 CA LEU A 55 11.307 -3.046 6.524 1.00 0.00 C ATOM 832 C LEU A 55 9.830 -3.279 6.201 1.00 0.00 C ATOM 833 O LEU A 55 8.976 -2.497 6.567 1.00 0.00 O ATOM 834 CB LEU A 55 11.955 -2.225 5.405 1.00 0.00 C ATOM 835 CG LEU A 55 11.562 -2.805 4.046 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.232 -2.195 3.596 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.646 -2.471 3.019 1.00 0.00 C ATOM 0 H LEU A 55 12.817 -4.473 6.039 1.00 0.00 H new ATOM 0 HA LEU A 55 11.389 -2.503 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.637 -1.185 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.039 -2.234 5.515 1.00 0.00 H new ATOM 0 HG LEU A 55 11.457 -3.887 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.951 -2.608 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.459 -2.428 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.338 -1.113 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.368 -2.884 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.749 -1.389 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.595 -2.902 3.338 1.00 0.00 H new ATOM 849 N ALA A 56 9.521 -4.349 5.521 1.00 0.00 N ATOM 850 CA ALA A 56 8.098 -4.628 5.178 1.00 0.00 C ATOM 851 C ALA A 56 7.317 -4.958 6.453 1.00 0.00 C ATOM 852 O ALA A 56 6.212 -4.493 6.652 1.00 0.00 O ATOM 853 CB ALA A 56 8.029 -5.814 4.216 1.00 0.00 C ATOM 0 H ALA A 56 10.192 -5.042 5.188 1.00 0.00 H new ATOM 0 HA ALA A 56 7.661 -3.749 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.988 -6.019 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.582 -5.578 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.467 -6.693 4.689 1.00 0.00 H new ATOM 859 N LYS A 57 7.880 -5.757 7.317 1.00 0.00 N ATOM 860 CA LYS A 57 7.166 -6.113 8.576 1.00 0.00 C ATOM 861 C LYS A 57 6.832 -4.836 9.348 1.00 0.00 C ATOM 862 O LYS A 57 5.768 -4.703 9.919 1.00 0.00 O ATOM 863 CB LYS A 57 8.060 -7.009 9.434 1.00 0.00 C ATOM 864 CG LYS A 57 7.432 -8.399 9.540 1.00 0.00 C ATOM 865 CD LYS A 57 8.095 -9.336 8.529 1.00 0.00 C ATOM 866 CE LYS A 57 7.848 -10.789 8.940 1.00 0.00 C ATOM 867 NZ LYS A 57 7.511 -11.595 7.734 1.00 0.00 N ATOM 0 H LYS A 57 8.802 -6.178 7.206 1.00 0.00 H new ATOM 0 HA LYS A 57 6.245 -6.645 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.054 -7.080 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.182 -6.576 10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.556 -8.790 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.360 -8.341 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.693 -9.156 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.166 -9.138 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.734 -11.196 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.035 -10.840 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.343 -12.583 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.654 -11.210 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.301 -11.555 7.058 1.00 0.00 H new ATOM 881 N SER A 58 7.734 -3.893 9.368 1.00 0.00 N ATOM 882 CA SER A 58 7.469 -2.623 10.100 1.00 0.00 C ATOM 883 C SER A 58 6.760 -1.641 9.165 1.00 0.00 C ATOM 884 O SER A 58 6.701 -0.455 9.422 1.00 0.00 O ATOM 885 CB SER A 58 8.794 -2.020 10.566 1.00 0.00 C ATOM 886 OG SER A 58 9.556 -3.019 11.231 1.00 0.00 O ATOM 0 H SER A 58 8.643 -3.948 8.909 1.00 0.00 H new ATOM 0 HA SER A 58 6.838 -2.822 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.349 -1.630 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.609 -1.181 11.236 1.00 0.00 H new ATOM 0 HG SER A 58 10.407 -2.636 11.530 1.00 0.00 H new ATOM 892 N LEU A 59 6.223 -2.128 8.080 1.00 0.00 N ATOM 893 CA LEU A 59 5.519 -1.227 7.126 1.00 0.00 C ATOM 894 C LEU A 59 4.084 -1.714 6.934 1.00 0.00 C ATOM 895 O LEU A 59 3.147 -0.941 6.932 1.00 0.00 O ATOM 896 CB LEU A 59 6.233 -1.261 5.773 1.00 0.00 C ATOM 897 CG LEU A 59 6.079 0.084 5.066 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.737 1.179 5.906 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.764 0.011 3.700 1.00 0.00 C ATOM 0 H LEU A 59 6.242 -3.112 7.813 1.00 0.00 H new ATOM 0 HA LEU A 59 5.519 -0.212 7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.290 -1.487 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.818 -2.056 5.154 1.00 0.00 H new ATOM 0 HG LEU A 59 5.021 0.313 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.628 2.139 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.257 1.225 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.796 0.954 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.659 0.968 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.822 -0.214 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.300 -0.773 3.102 1.00 0.00 H new ATOM 911 N SER A 60 3.912 -2.993 6.750 1.00 0.00 N ATOM 912 CA SER A 60 2.546 -3.542 6.531 1.00 0.00 C ATOM 913 C SER A 60 1.834 -3.738 7.869 1.00 0.00 C ATOM 914 O SER A 60 2.453 -3.820 8.911 1.00 0.00 O ATOM 915 CB SER A 60 2.658 -4.879 5.800 1.00 0.00 C ATOM 916 OG SER A 60 3.543 -5.734 6.511 1.00 0.00 O ATOM 0 H SER A 60 4.662 -3.684 6.742 1.00 0.00 H new ATOM 0 HA SER A 60 1.966 -2.841 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.675 -5.343 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.024 -4.722 4.785 1.00 0.00 H new ATOM 0 HG SER A 60 4.102 -6.228 5.875 1.00 0.00 H new ATOM 922 N HIS A 61 0.532 -3.809 7.841 1.00 0.00 N ATOM 923 CA HIS A 61 -0.238 -3.995 9.102 1.00 0.00 C ATOM 924 C HIS A 61 -0.855 -5.396 9.122 1.00 0.00 C ATOM 925 O HIS A 61 -0.773 -6.134 8.161 1.00 0.00 O ATOM 926 CB HIS A 61 -1.349 -2.943 9.173 1.00 0.00 C ATOM 927 CG HIS A 61 -2.434 -3.285 8.187 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.321 -4.333 8.399 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.787 -2.727 6.983 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.157 -4.368 7.342 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.872 -3.413 6.457 1.00 0.00 N ATOM 0 H HIS A 61 -0.034 -3.746 6.995 1.00 0.00 H new ATOM 0 HA HIS A 61 0.427 -3.883 9.958 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.760 -2.902 10.182 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.943 -1.956 8.954 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.337 -4.959 9.204 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.296 -1.885 6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.959 -5.082 7.227 1.00 0.00 H new ATOM 939 N LYS A 62 -1.475 -5.766 10.209 1.00 0.00 N ATOM 940 CA LYS A 62 -2.098 -7.117 10.287 1.00 0.00 C ATOM 941 C LYS A 62 -3.595 -6.970 10.566 1.00 0.00 C ATOM 942 O LYS A 62 -4.167 -5.912 10.393 1.00 0.00 O ATOM 943 CB LYS A 62 -1.445 -7.919 11.416 1.00 0.00 C ATOM 944 CG LYS A 62 0.061 -7.647 11.434 1.00 0.00 C ATOM 945 CD LYS A 62 0.727 -8.372 10.263 1.00 0.00 C ATOM 946 CE LYS A 62 2.200 -7.967 10.185 1.00 0.00 C ATOM 947 NZ LYS A 62 2.919 -8.479 11.386 1.00 0.00 N ATOM 0 H LYS A 62 -1.577 -5.192 11.046 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.952 -7.639 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.886 -7.643 12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.631 -8.984 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.248 -6.575 11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.491 -7.986 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.642 -9.451 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.220 -8.122 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.652 -8.369 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.288 -6.882 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.945 -8.402 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.648 -7.918 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.666 -9.476 11.543 1.00 0.00 H new ATOM 961 N GLN A 63 -4.235 -8.023 10.998 1.00 0.00 N ATOM 962 CA GLN A 63 -5.694 -7.940 11.286 1.00 0.00 C ATOM 963 C GLN A 63 -6.440 -7.528 10.015 1.00 0.00 C ATOM 964 O GLN A 63 -5.899 -7.565 8.927 1.00 0.00 O ATOM 965 CB GLN A 63 -5.939 -6.899 12.381 1.00 0.00 C ATOM 966 CG GLN A 63 -6.757 -7.525 13.512 1.00 0.00 C ATOM 967 CD GLN A 63 -6.607 -6.680 14.778 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.868 -7.032 15.675 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.284 -5.569 14.889 1.00 0.00 N ATOM 0 H GLN A 63 -3.810 -8.936 11.163 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.055 -8.912 11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.988 -6.532 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.468 -6.040 11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.807 -7.586 13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.418 -8.544 13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.905 -5.273 14.136 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.192 -4.997 15.729 1.00 0.00 H new ATOM 978 N LEU A 64 -7.676 -7.133 10.142 1.00 0.00 N ATOM 979 CA LEU A 64 -8.451 -6.717 8.939 1.00 0.00 C ATOM 980 C LEU A 64 -9.075 -5.343 9.189 1.00 0.00 C ATOM 981 O LEU A 64 -9.139 -4.875 10.309 1.00 0.00 O ATOM 982 CB LEU A 64 -9.557 -7.737 8.664 1.00 0.00 C ATOM 983 CG LEU A 64 -8.942 -9.129 8.521 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.851 -9.789 9.898 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.821 -9.983 7.605 1.00 0.00 C ATOM 0 H LEU A 64 -8.183 -7.080 11.026 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.785 -6.665 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.283 -7.730 9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.095 -7.470 7.754 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.944 -9.043 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.413 -10.782 9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.226 -9.181 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.849 -9.875 10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.383 -10.976 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.819 -10.069 8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.888 -9.513 6.624 1.00 0.00 H new ATOM 997 N LEU A 65 -9.534 -4.691 8.158 1.00 0.00 N ATOM 998 CA LEU A 65 -10.150 -3.348 8.345 1.00 0.00 C ATOM 999 C LEU A 65 -11.672 -3.470 8.268 1.00 0.00 C ATOM 1000 O LEU A 65 -12.236 -3.672 7.211 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.657 -2.401 7.250 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.258 -1.897 7.604 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.356 -3.087 7.934 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.676 -1.131 6.415 1.00 0.00 C ATOM 0 H LEU A 65 -9.510 -5.029 7.196 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.866 -2.952 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.637 -2.917 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.343 -1.560 7.146 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.318 -1.236 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.358 -2.728 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.770 -3.634 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.296 -3.749 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.678 -0.771 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.616 -1.792 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.319 -0.283 6.179 1.00 0.00 H new ATOM 1016 N MET A 66 -12.342 -3.349 9.381 1.00 0.00 N ATOM 1017 CA MET A 66 -13.828 -3.457 9.371 1.00 0.00 C ATOM 1018 C MET A 66 -14.440 -2.056 9.357 1.00 0.00 C ATOM 1019 O MET A 66 -15.591 -1.875 9.011 1.00 0.00 O ATOM 1020 CB MET A 66 -14.294 -4.205 10.622 1.00 0.00 C ATOM 1021 CG MET A 66 -13.426 -5.446 10.827 1.00 0.00 C ATOM 1022 SD MET A 66 -12.078 -5.058 11.970 1.00 0.00 S ATOM 1023 CE MET A 66 -11.947 -6.695 12.729 1.00 0.00 C ATOM 0 H MET A 66 -11.925 -3.180 10.296 1.00 0.00 H new ATOM 0 HA MET A 66 -14.147 -4.002 8.483 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.228 -3.554 11.494 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.340 -4.493 10.518 1.00 0.00 H new ATOM 0 HG2 MET A 66 -14.029 -6.263 11.223 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.022 -5.782 9.872 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.159 -6.685 13.482 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.895 -6.955 13.200 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.708 -7.433 11.963 1.00 0.00 H new ATOM 1033 N SER A 67 -13.681 -1.062 9.729 1.00 0.00 N ATOM 1034 CA SER A 67 -14.224 0.325 9.732 1.00 0.00 C ATOM 1035 C SER A 67 -14.065 0.933 8.333 1.00 0.00 C ATOM 1036 O SER A 67 -13.085 0.683 7.660 1.00 0.00 O ATOM 1037 CB SER A 67 -13.462 1.173 10.749 1.00 0.00 C ATOM 1038 OG SER A 67 -13.998 2.489 10.752 1.00 0.00 O ATOM 0 H SER A 67 -12.711 -1.150 10.030 1.00 0.00 H new ATOM 0 HA SER A 67 -15.279 0.303 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.543 0.732 11.742 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.402 1.199 10.497 1.00 0.00 H new ATOM 0 HG SER A 67 -13.930 2.868 11.653 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.043 1.706 7.933 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.056 2.359 6.610 1.00 0.00 C ATOM 1046 C PRO A 68 -14.165 3.607 6.596 1.00 0.00 C ATOM 1047 O PRO A 68 -14.508 4.632 7.152 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.525 2.747 6.420 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.144 2.823 7.836 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.230 2.000 8.762 1.00 0.00 C ATOM 0 HA PRO A 68 -14.674 1.713 5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.610 3.705 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.045 2.010 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.209 3.857 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.158 2.423 7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.961 2.561 9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.720 1.085 9.094 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.031 3.535 5.951 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.133 4.724 5.888 1.00 0.00 C ATOM 1060 C GLY A 69 -11.103 4.665 7.015 1.00 0.00 C ATOM 1061 O GLY A 69 -10.086 5.328 6.970 1.00 0.00 O ATOM 0 H GLY A 69 -12.689 2.706 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.626 4.756 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.721 5.638 5.970 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.350 3.880 8.026 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.373 3.790 9.146 1.00 0.00 C ATOM 1067 C GLN A 70 -9.232 2.855 8.746 1.00 0.00 C ATOM 1068 O GLN A 70 -9.374 1.649 8.747 1.00 0.00 O ATOM 1069 CB GLN A 70 -11.067 3.242 10.392 1.00 0.00 C ATOM 1070 CG GLN A 70 -11.017 4.290 11.506 1.00 0.00 C ATOM 1071 CD GLN A 70 -12.420 4.856 11.741 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -13.246 4.223 12.366 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -12.725 6.031 11.262 1.00 0.00 N ATOM 0 H GLN A 70 -12.183 3.299 8.125 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.976 4.782 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.102 2.988 10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.579 2.324 10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.636 3.842 12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.331 5.092 11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.031 6.563 10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.657 6.417 11.413 1.00 0.00 H new ATOM 1082 N SER A 71 -8.103 3.405 8.398 1.00 0.00 N ATOM 1083 CA SER A 71 -6.954 2.552 7.993 1.00 0.00 C ATOM 1084 C SER A 71 -5.731 2.875 8.846 1.00 0.00 C ATOM 1085 O SER A 71 -5.812 3.587 9.828 1.00 0.00 O ATOM 1086 CB SER A 71 -6.614 2.817 6.540 1.00 0.00 C ATOM 1087 OG SER A 71 -6.976 4.151 6.207 1.00 0.00 O ATOM 0 H SER A 71 -7.927 4.409 8.377 1.00 0.00 H new ATOM 0 HA SER A 71 -7.230 1.507 8.132 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.548 2.664 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.143 2.113 5.897 1.00 0.00 H new ATOM 0 HG SER A 71 -6.179 4.721 6.228 1.00 0.00 H new ATOM 1093 N THR A 72 -4.593 2.370 8.462 1.00 0.00 N ATOM 1094 CA THR A 72 -3.350 2.654 9.224 1.00 0.00 C ATOM 1095 C THR A 72 -2.337 3.306 8.281 1.00 0.00 C ATOM 1096 O THR A 72 -1.818 2.674 7.383 1.00 0.00 O ATOM 1097 CB THR A 72 -2.775 1.345 9.775 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.616 1.627 10.548 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.405 0.418 8.616 1.00 0.00 C ATOM 0 H THR A 72 -4.472 1.769 7.647 1.00 0.00 H new ATOM 0 HA THR A 72 -3.567 3.324 10.056 1.00 0.00 H new ATOM 0 HB THR A 72 -3.521 0.857 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.248 0.791 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.996 -0.512 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.295 0.202 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.660 0.903 7.986 1.00 0.00 H new ATOM 1107 N SER A 73 -2.056 4.566 8.472 1.00 0.00 N ATOM 1108 CA SER A 73 -1.082 5.252 7.577 1.00 0.00 C ATOM 1109 C SER A 73 0.332 4.868 7.998 1.00 0.00 C ATOM 1110 O SER A 73 0.801 5.235 9.057 1.00 0.00 O ATOM 1111 CB SER A 73 -1.258 6.768 7.693 1.00 0.00 C ATOM 1112 OG SER A 73 -1.241 7.138 9.066 1.00 0.00 O ATOM 0 H SER A 73 -2.457 5.148 9.207 1.00 0.00 H new ATOM 0 HA SER A 73 -1.254 4.950 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.460 7.281 7.156 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.198 7.073 7.234 1.00 0.00 H new ATOM 0 HG SER A 73 -0.550 6.624 9.535 1.00 0.00 H new ATOM 1118 N THR A 74 1.009 4.117 7.179 1.00 0.00 N ATOM 1119 CA THR A 74 2.387 3.689 7.529 1.00 0.00 C ATOM 1120 C THR A 74 3.392 4.737 7.054 1.00 0.00 C ATOM 1121 O THR A 74 3.640 4.887 5.874 1.00 0.00 O ATOM 1122 CB THR A 74 2.684 2.349 6.851 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.505 1.556 6.839 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.783 1.619 7.621 1.00 0.00 C ATOM 0 H THR A 74 0.666 3.780 6.279 1.00 0.00 H new ATOM 0 HA THR A 74 2.470 3.581 8.610 1.00 0.00 H new ATOM 0 HB THR A 74 3.016 2.524 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.749 0.607 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.994 0.665 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.687 2.228 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.454 1.442 8.645 1.00 0.00 H new ATOM 1132 N THR A 75 3.984 5.456 7.967 1.00 0.00 N ATOM 1133 CA THR A 75 4.983 6.482 7.570 1.00 0.00 C ATOM 1134 C THR A 75 6.303 5.776 7.266 1.00 0.00 C ATOM 1135 O THR A 75 7.087 5.499 8.152 1.00 0.00 O ATOM 1136 CB THR A 75 5.185 7.475 8.717 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.114 8.474 8.320 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.720 6.735 9.944 1.00 0.00 C ATOM 0 H THR A 75 3.818 5.376 8.970 1.00 0.00 H new ATOM 0 HA THR A 75 4.635 7.024 6.691 1.00 0.00 H new ATOM 0 HB THR A 75 4.233 7.944 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.713 9.035 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.864 7.442 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.005 5.970 10.248 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.672 6.265 9.699 1.00 0.00 H new ATOM 1146 N PHE A 76 6.539 5.467 6.020 1.00 0.00 N ATOM 1147 CA PHE A 76 7.796 4.762 5.641 1.00 0.00 C ATOM 1148 C PHE A 76 8.971 5.328 6.451 1.00 0.00 C ATOM 1149 O PHE A 76 8.884 6.414 6.989 1.00 0.00 O ATOM 1150 CB PHE A 76 8.040 4.949 4.141 1.00 0.00 C ATOM 1151 CG PHE A 76 7.171 3.980 3.363 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.982 3.484 3.924 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.557 3.570 2.080 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.188 2.586 3.200 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.761 2.672 1.360 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.579 2.180 1.920 1.00 0.00 C ATOM 0 H PHE A 76 5.911 5.674 5.244 1.00 0.00 H new ATOM 0 HA PHE A 76 7.706 3.698 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.811 5.974 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.091 4.779 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.681 3.795 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.471 3.948 1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.273 2.207 3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.060 2.359 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.967 1.486 1.364 1.00 0.00 H new ATOM 1166 N PRO A 77 10.028 4.559 6.529 1.00 0.00 N ATOM 1167 CA PRO A 77 11.236 4.936 7.291 1.00 0.00 C ATOM 1168 C PRO A 77 12.061 5.990 6.546 1.00 0.00 C ATOM 1169 O PRO A 77 11.887 6.214 5.367 1.00 0.00 O ATOM 1170 CB PRO A 77 12.006 3.618 7.415 1.00 0.00 C ATOM 1171 CG PRO A 77 11.502 2.707 6.271 1.00 0.00 C ATOM 1172 CD PRO A 77 10.120 3.246 5.859 1.00 0.00 C ATOM 0 HA PRO A 77 11.002 5.384 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.080 3.787 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.830 3.155 8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.193 2.725 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.431 1.671 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.038 3.345 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.320 2.578 6.180 1.00 0.00 H new ATOM 1180 N ALA A 78 12.961 6.640 7.237 1.00 0.00 N ATOM 1181 CA ALA A 78 13.802 7.686 6.587 1.00 0.00 C ATOM 1182 C ALA A 78 14.831 7.037 5.654 1.00 0.00 C ATOM 1183 O ALA A 78 15.635 7.712 5.044 1.00 0.00 O ATOM 1184 CB ALA A 78 14.533 8.492 7.664 1.00 0.00 C ATOM 0 H ALA A 78 13.150 6.490 8.228 1.00 0.00 H new ATOM 0 HA ALA A 78 13.159 8.344 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.148 9.257 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.804 8.967 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.168 7.826 8.249 1.00 0.00 H new ATOM 1190 N ASP A 79 14.814 5.738 5.532 1.00 0.00 N ATOM 1191 CA ASP A 79 15.793 5.069 4.632 1.00 0.00 C ATOM 1192 C ASP A 79 15.115 4.761 3.298 1.00 0.00 C ATOM 1193 O ASP A 79 15.514 5.254 2.264 1.00 0.00 O ATOM 1194 CB ASP A 79 16.276 3.768 5.273 1.00 0.00 C ATOM 1195 CG ASP A 79 17.697 3.960 5.806 1.00 0.00 C ATOM 1196 OD1 ASP A 79 17.994 5.050 6.266 1.00 0.00 O ATOM 1197 OD2 ASP A 79 18.465 3.014 5.744 1.00 0.00 O ATOM 0 H ASP A 79 14.167 5.114 6.015 1.00 0.00 H new ATOM 0 HA ASP A 79 16.648 5.725 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.608 3.480 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.256 2.960 4.541 1.00 0.00 H new ATOM 1202 N ALA A 80 14.086 3.958 3.317 1.00 0.00 N ATOM 1203 CA ALA A 80 13.373 3.625 2.049 1.00 0.00 C ATOM 1204 C ALA A 80 14.393 3.357 0.939 1.00 0.00 C ATOM 1205 O ALA A 80 14.852 4.274 0.287 1.00 0.00 O ATOM 1206 CB ALA A 80 12.483 4.801 1.644 1.00 0.00 C ATOM 0 H ALA A 80 13.708 3.518 4.156 1.00 0.00 H new ATOM 0 HA ALA A 80 12.761 2.736 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.961 4.560 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.755 4.994 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.098 5.688 1.494 1.00 0.00 H new ATOM 1212 N PRO A 81 14.716 2.106 0.754 1.00 0.00 N ATOM 1213 CA PRO A 81 15.682 1.687 -0.273 1.00 0.00 C ATOM 1214 C PRO A 81 15.036 1.744 -1.659 1.00 0.00 C ATOM 1215 O PRO A 81 14.033 1.108 -1.913 1.00 0.00 O ATOM 1216 CB PRO A 81 16.026 0.249 0.120 1.00 0.00 C ATOM 1217 CG PRO A 81 14.850 -0.259 0.987 1.00 0.00 C ATOM 1218 CD PRO A 81 14.143 0.993 1.540 1.00 0.00 C ATOM 0 HA PRO A 81 16.564 2.325 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.155 -0.375 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.963 0.212 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.163 -0.863 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.211 -0.891 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.062 0.930 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.331 1.119 2.606 1.00 0.00 H new ATOM 1226 N ALA A 82 15.602 2.509 -2.552 1.00 0.00 N ATOM 1227 CA ALA A 82 15.021 2.616 -3.919 1.00 0.00 C ATOM 1228 C ALA A 82 14.600 1.229 -4.408 1.00 0.00 C ATOM 1229 O ALA A 82 15.335 0.268 -4.291 1.00 0.00 O ATOM 1230 CB ALA A 82 16.066 3.198 -4.872 1.00 0.00 C ATOM 0 H ALA A 82 16.442 3.065 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 82 14.149 3.269 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.642 3.277 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.364 4.188 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.938 2.545 -4.898 1.00 0.00 H new ATOM 1236 N GLY A 83 13.420 1.120 -4.952 1.00 0.00 N ATOM 1237 CA GLY A 83 12.945 -0.202 -5.449 1.00 0.00 C ATOM 1238 C GLY A 83 11.422 -0.176 -5.580 1.00 0.00 C ATOM 1239 O GLY A 83 10.749 0.626 -4.963 1.00 0.00 O ATOM 0 H GLY A 83 12.763 1.890 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.401 -0.426 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.249 -0.992 -4.762 1.00 0.00 H new ATOM 1243 N GLU A 84 10.871 -1.045 -6.383 1.00 0.00 N ATOM 1244 CA GLU A 84 9.392 -1.065 -6.557 1.00 0.00 C ATOM 1245 C GLU A 84 8.742 -1.788 -5.375 1.00 0.00 C ATOM 1246 O GLU A 84 9.070 -2.917 -5.068 1.00 0.00 O ATOM 1247 CB GLU A 84 9.043 -1.802 -7.851 1.00 0.00 C ATOM 1248 CG GLU A 84 10.063 -1.450 -8.935 1.00 0.00 C ATOM 1249 CD GLU A 84 10.860 -2.701 -9.309 1.00 0.00 C ATOM 1250 OE1 GLU A 84 10.244 -3.736 -9.502 1.00 0.00 O ATOM 1251 OE2 GLU A 84 12.073 -2.603 -9.396 1.00 0.00 O ATOM 0 H GLU A 84 11.382 -1.742 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 84 9.022 -0.041 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.038 -2.878 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.040 -1.527 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.554 -1.054 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.736 -0.670 -8.577 1.00 0.00 H new ATOM 1258 N TYR A 85 7.815 -1.148 -4.717 1.00 0.00 N ATOM 1259 CA TYR A 85 7.132 -1.799 -3.564 1.00 0.00 C ATOM 1260 C TYR A 85 5.771 -2.316 -4.031 1.00 0.00 C ATOM 1261 O TYR A 85 4.737 -1.784 -3.681 1.00 0.00 O ATOM 1262 CB TYR A 85 6.937 -0.779 -2.441 1.00 0.00 C ATOM 1263 CG TYR A 85 8.285 -0.327 -1.932 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.134 0.411 -2.764 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.684 -0.645 -0.628 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.384 0.833 -2.293 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.934 -0.224 -0.157 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.783 0.515 -0.989 1.00 0.00 C ATOM 1269 OH TYR A 85 12.015 0.931 -0.524 1.00 0.00 O ATOM 0 H TYR A 85 7.501 -0.201 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 85 7.736 -2.626 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.369 0.076 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.360 -1.222 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.826 0.655 -3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.028 -1.214 0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.039 1.403 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.243 -0.470 0.848 1.00 0.00 H new ATOM 0 HH TYR A 85 12.548 1.275 -1.271 1.00 0.00 H new ATOM 1279 N THR A 86 5.769 -3.343 -4.835 1.00 0.00 N ATOM 1280 CA THR A 86 4.484 -3.892 -5.349 1.00 0.00 C ATOM 1281 C THR A 86 3.628 -4.418 -4.196 1.00 0.00 C ATOM 1282 O THR A 86 3.795 -5.534 -3.745 1.00 0.00 O ATOM 1283 CB THR A 86 4.780 -5.035 -6.322 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.640 -4.568 -7.352 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.473 -5.539 -6.936 1.00 0.00 C ATOM 0 H THR A 86 6.606 -3.827 -5.159 1.00 0.00 H new ATOM 0 HA THR A 86 3.938 -3.098 -5.858 1.00 0.00 H new ATOM 0 HB THR A 86 5.264 -5.851 -5.786 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.832 -5.300 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.687 -6.353 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.814 -5.899 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.985 -4.725 -7.472 1.00 0.00 H new ATOM 1293 N PHE A 87 2.696 -3.633 -3.728 1.00 0.00 N ATOM 1294 CA PHE A 87 1.818 -4.104 -2.626 1.00 0.00 C ATOM 1295 C PHE A 87 0.489 -4.563 -3.223 1.00 0.00 C ATOM 1296 O PHE A 87 0.164 -4.239 -4.348 1.00 0.00 O ATOM 1297 CB PHE A 87 1.573 -2.982 -1.615 1.00 0.00 C ATOM 1298 CG PHE A 87 1.569 -1.660 -2.327 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.410 -1.220 -2.968 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.728 -0.881 -2.353 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.407 0.004 -3.638 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.729 0.343 -3.023 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.567 0.790 -3.667 1.00 0.00 C ATOM 0 H PHE A 87 2.507 -2.688 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 87 2.302 -4.931 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.621 -3.137 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.348 -2.992 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.484 -1.826 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.622 -1.226 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.489 0.346 -4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.625 0.946 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.566 1.738 -4.184 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.284 -5.315 -2.492 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.581 -5.785 -3.042 1.00 0.00 C ATOM 1315 C TYR A 88 -2.592 -5.966 -1.911 1.00 0.00 C ATOM 1316 O TYR A 88 -2.335 -5.630 -0.772 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.379 -7.118 -3.765 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.838 -8.139 -2.795 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.517 -8.121 -2.442 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.691 -9.104 -2.249 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.018 -9.070 -1.542 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.191 -10.053 -1.349 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.164 -10.035 -0.996 1.00 0.00 C ATOM 1324 OH TYR A 88 0.658 -10.970 -0.109 1.00 0.00 O ATOM 0 H TYR A 88 -0.074 -5.622 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.960 -5.043 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.324 -7.464 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.688 -6.991 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.175 -7.376 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.736 -9.117 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.063 -9.057 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.850 -10.798 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.066 -11.565 0.176 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.744 -6.491 -2.223 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.784 -6.692 -1.177 1.00 0.00 C ATOM 1336 C CYS A 89 -5.064 -8.186 -1.014 1.00 0.00 C ATOM 1337 O CYS A 89 -5.262 -8.899 -1.978 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.067 -5.982 -1.608 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.714 -4.995 -0.236 1.00 0.00 S ATOM 0 H CYS A 89 -4.010 -6.790 -3.161 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.434 -6.284 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.867 -5.341 -2.467 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.810 -6.714 -1.923 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.090 -8.666 0.198 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.366 -10.111 0.419 1.00 0.00 C ATOM 1346 C GLU A 90 -6.806 -10.443 -0.011 1.00 0.00 C ATOM 1347 O GLU A 90 -7.025 -11.435 -0.678 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.161 -10.458 1.899 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.802 -11.814 2.205 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.334 -12.302 3.577 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -5.285 -11.492 4.488 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -5.034 -13.479 3.695 1.00 0.00 O ATOM 0 H GLU A 90 -4.932 -8.119 1.045 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.676 -10.703 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.096 -10.487 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.603 -9.686 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.888 -11.726 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.530 -12.538 1.437 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.751 -9.612 0.373 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.166 -9.824 0.020 1.00 0.00 C ATOM 1361 C PRO A 91 -9.425 -9.371 -1.421 1.00 0.00 C ATOM 1362 O PRO A 91 -10.068 -10.056 -2.191 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.924 -8.941 1.014 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.925 -7.861 1.490 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.513 -8.399 1.187 1.00 0.00 C ATOM 0 HA PRO A 91 -9.470 -10.869 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.794 -8.484 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.290 -9.529 1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.099 -6.918 0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.044 -7.666 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.916 -7.666 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.972 -8.635 2.103 1.00 0.00 H new ATOM 1373 N HIS A 92 -8.926 -8.223 -1.790 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.139 -7.728 -3.179 1.00 0.00 C ATOM 1375 C HIS A 92 -7.831 -7.849 -3.966 1.00 0.00 C ATOM 1376 O HIS A 92 -7.224 -6.865 -4.337 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.580 -6.260 -3.135 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.435 -6.028 -1.918 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.907 -5.537 -0.727 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.774 -6.233 -1.684 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.924 -5.474 0.157 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.069 -5.886 -0.379 1.00 0.00 N ATOM 0 H HIS A 92 -8.380 -7.606 -1.189 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.912 -8.323 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.707 -5.608 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.138 -6.010 -4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.484 -6.607 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.821 -5.131 1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.979 -5.936 0.079 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.390 -9.053 -4.223 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.121 -9.238 -4.985 1.00 0.00 C ATOM 1392 C ARG A 93 -6.439 -9.428 -6.469 1.00 0.00 C ATOM 1393 O ARG A 93 -7.319 -10.181 -6.833 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.385 -10.474 -4.459 1.00 0.00 C ATOM 1395 CG ARG A 93 -3.886 -10.329 -4.730 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.421 -11.453 -5.659 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.269 -10.975 -6.474 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.523 -11.830 -7.121 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.197 -12.964 -6.564 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -1.099 -11.547 -8.322 1.00 0.00 N ATOM 0 H ARG A 93 -7.854 -9.915 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.491 -8.358 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.563 -10.589 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.768 -11.372 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.680 -9.360 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.331 -10.366 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.130 -12.326 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.238 -11.763 -6.310 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.062 -9.978 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.525 -13.183 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.614 -13.632 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.350 -10.658 -8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.516 -12.214 -8.828 1.00 0.00 H new ATOM 1414 N GLY A 94 -5.728 -8.749 -7.329 1.00 0.00 N ATOM 1415 CA GLY A 94 -5.992 -8.890 -8.789 1.00 0.00 C ATOM 1416 C GLY A 94 -7.166 -7.994 -9.184 1.00 0.00 C ATOM 1417 O GLY A 94 -7.507 -7.876 -10.345 1.00 0.00 O ATOM 0 H GLY A 94 -4.977 -8.104 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.104 -8.616 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.217 -9.929 -9.030 1.00 0.00 H new ATOM 1421 N ALA A 95 -7.790 -7.361 -8.228 1.00 0.00 N ATOM 1422 CA ALA A 95 -8.941 -6.475 -8.550 1.00 0.00 C ATOM 1423 C ALA A 95 -8.446 -5.039 -8.727 1.00 0.00 C ATOM 1424 O ALA A 95 -9.089 -4.096 -8.314 1.00 0.00 O ATOM 1425 CB ALA A 95 -9.957 -6.526 -7.408 1.00 0.00 C ATOM 0 H ALA A 95 -7.551 -7.420 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.413 -6.813 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.801 -5.877 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.310 -7.549 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.485 -6.188 -6.486 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.308 -4.865 -9.338 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.776 -3.488 -9.541 1.00 0.00 C ATOM 1433 C GLY A 96 -6.117 -2.996 -8.251 1.00 0.00 C ATOM 1434 O GLY A 96 -5.549 -1.922 -8.205 1.00 0.00 O ATOM 0 H GLY A 96 -6.723 -5.616 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.052 -3.484 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.583 -2.814 -9.829 1.00 0.00 H new ATOM 1438 N MET A 97 -6.184 -3.770 -7.203 1.00 0.00 N ATOM 1439 CA MET A 97 -5.558 -3.341 -5.921 1.00 0.00 C ATOM 1440 C MET A 97 -4.085 -3.757 -5.912 1.00 0.00 C ATOM 1441 O MET A 97 -3.592 -4.315 -4.952 1.00 0.00 O ATOM 1442 CB MET A 97 -6.285 -4.004 -4.748 1.00 0.00 C ATOM 1443 CG MET A 97 -7.735 -3.517 -4.702 1.00 0.00 C ATOM 1444 SD MET A 97 -8.017 -2.604 -3.164 1.00 0.00 S ATOM 1445 CE MET A 97 -9.294 -1.489 -3.792 1.00 0.00 C ATOM 0 H MET A 97 -6.645 -4.680 -7.179 1.00 0.00 H new ATOM 0 HA MET A 97 -5.631 -2.258 -5.824 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.258 -5.088 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.780 -3.765 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.942 -2.878 -5.560 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.417 -4.365 -4.764 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.003 -1.263 -2.996 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.832 -0.565 -4.139 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.818 -1.966 -4.620 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.380 -3.492 -6.978 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.940 -3.873 -7.037 1.00 0.00 C ATOM 1457 C VAL A 98 -1.096 -2.634 -7.344 1.00 0.00 C ATOM 1458 O VAL A 98 -0.633 -2.446 -8.451 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.733 -4.914 -8.139 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.257 -5.310 -8.198 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.582 -6.151 -7.835 1.00 0.00 C ATOM 0 H VAL A 98 -3.740 -3.027 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.636 -4.292 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.033 -4.493 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.110 -6.052 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.348 -4.429 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.045 -5.732 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.436 -6.894 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.281 -6.572 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.634 -5.869 -7.794 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.893 -1.785 -6.373 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.082 -0.562 -6.612 1.00 0.00 C ATOM 1473 C GLY A 99 1.358 -0.802 -6.155 1.00 0.00 C ATOM 1474 O GLY A 99 1.639 -1.719 -5.410 1.00 0.00 O ATOM 0 H GLY A 99 -1.255 -1.888 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.100 -0.303 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.510 0.282 -6.071 1.00 0.00 H new ATOM 1478 N LYS A 100 2.273 0.020 -6.593 1.00 0.00 N ATOM 1479 CA LYS A 100 3.695 -0.156 -6.182 1.00 0.00 C ATOM 1480 C LYS A 100 4.311 1.216 -5.901 1.00 0.00 C ATOM 1481 O LYS A 100 4.131 2.153 -6.652 1.00 0.00 O ATOM 1482 CB LYS A 100 4.477 -0.845 -7.305 1.00 0.00 C ATOM 1483 CG LYS A 100 3.546 -1.770 -8.091 1.00 0.00 C ATOM 1484 CD LYS A 100 4.342 -2.486 -9.185 1.00 0.00 C ATOM 1485 CE LYS A 100 4.933 -1.452 -10.146 1.00 0.00 C ATOM 1486 NZ LYS A 100 5.740 -2.149 -11.188 1.00 0.00 N ATOM 0 H LYS A 100 2.097 0.806 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 100 3.740 -0.771 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.910 -0.098 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.305 -1.417 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.091 -2.500 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.734 -1.194 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.139 -3.081 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.695 -3.175 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.135 -0.876 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.557 -0.746 -9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.142 -1.448 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.510 -2.680 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.131 -2.806 -11.717 1.00 0.00 H new ATOM 1500 N ILE A 101 5.036 1.344 -4.822 1.00 0.00 N ATOM 1501 CA ILE A 101 5.657 2.659 -4.499 1.00 0.00 C ATOM 1502 C ILE A 101 6.982 2.798 -5.257 1.00 0.00 C ATOM 1503 O ILE A 101 7.764 1.872 -5.342 1.00 0.00 O ATOM 1504 CB ILE A 101 5.894 2.756 -2.971 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.912 3.769 -2.373 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.329 3.209 -2.658 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.264 4.031 -0.903 1.00 0.00 C ATOM 0 H ILE A 101 5.224 0.597 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 101 4.992 3.467 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 101 5.739 1.768 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.949 4.701 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.893 3.390 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.465 3.268 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.036 2.491 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.505 4.190 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.562 4.752 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.204 3.098 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.276 4.429 -0.837 1.00 0.00 H new ATOM 1519 N THR A 102 7.247 3.961 -5.780 1.00 0.00 N ATOM 1520 CA THR A 102 8.530 4.183 -6.499 1.00 0.00 C ATOM 1521 C THR A 102 9.363 5.165 -5.681 1.00 0.00 C ATOM 1522 O THR A 102 9.149 6.360 -5.722 1.00 0.00 O ATOM 1523 CB THR A 102 8.259 4.769 -7.886 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.858 4.838 -8.102 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.902 3.876 -8.948 1.00 0.00 C ATOM 0 H THR A 102 6.628 4.770 -5.740 1.00 0.00 H new ATOM 0 HA THR A 102 9.061 3.239 -6.621 1.00 0.00 H new ATOM 0 HB THR A 102 8.684 5.771 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.645 5.648 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.710 4.291 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.977 3.825 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.477 2.874 -8.887 1.00 0.00 H new ATOM 1533 N VAL A 103 10.298 4.673 -4.920 1.00 0.00 N ATOM 1534 CA VAL A 103 11.122 5.584 -4.082 1.00 0.00 C ATOM 1535 C VAL A 103 12.460 5.860 -4.769 1.00 0.00 C ATOM 1536 O VAL A 103 13.403 5.104 -4.648 1.00 0.00 O ATOM 1537 CB VAL A 103 11.363 4.932 -2.721 1.00 0.00 C ATOM 1538 CG1 VAL A 103 12.040 5.934 -1.790 1.00 0.00 C ATOM 1539 CG2 VAL A 103 10.023 4.506 -2.118 1.00 0.00 C ATOM 0 H VAL A 103 10.527 3.682 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 103 10.595 6.529 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 103 12.003 4.059 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.212 5.470 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.993 6.243 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.399 6.807 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.192 4.041 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.385 5.381 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.536 3.792 -2.782 1.00 0.00 H new ATOM 1549 N ALA A 104 12.544 6.946 -5.488 1.00 0.00 N ATOM 1550 CA ALA A 104 13.814 7.287 -6.186 1.00 0.00 C ATOM 1551 C ALA A 104 14.331 8.632 -5.669 1.00 0.00 C ATOM 1552 O ALA A 104 14.082 9.011 -4.542 1.00 0.00 O ATOM 1553 CB ALA A 104 13.557 7.386 -7.690 1.00 0.00 C ATOM 0 H ALA A 104 11.784 7.613 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 104 14.556 6.512 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.486 7.636 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.185 6.430 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.817 8.163 -7.882 1.00 0.00 H new ATOM 1559 N GLY A 105 15.048 9.358 -6.485 1.00 0.00 N ATOM 1560 CA GLY A 105 15.577 10.678 -6.038 1.00 0.00 C ATOM 1561 C GLY A 105 14.943 11.792 -6.872 1.00 0.00 C ATOM 1562 O GLY A 105 15.137 11.788 -8.077 1.00 0.00 O ATOM 1563 OXT GLY A 105 14.273 12.631 -6.292 1.00 0.00 O ATOM 0 H GLY A 105 15.290 9.094 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.357 10.831 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.662 10.702 -6.145 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.531 -4.022 -0.694 1.00 0.00 CU