USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1069 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 86 ASN : amide:sc= -2.69! C(o=-3.4!,f=-6.3!) USER MOD Set 1.2: A 98 SER OG : rot -150:sc= -0.708 USER MOD Set 2.1: A 63 HIS :FLIP no HD1:sc= 0.564 F(o=-0.082,f=1.2) USER MOD Set 2.2: A 137 THR OG1 : rot 116:sc= 0.593 USER MOD Set 3.1: A 1 ALA N :NH3+ -111:sc= 1.15 (180deg=-0.485) USER MOD Set 3.2: A 22 GLN : amide:sc= -3.99! C(o=-2.8!,f=-12!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.437 K(o=-0.44,f=-0.97) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.235 F(o=-2.4!,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.29 (180deg=0.712) USER MOD Single : A 25 SER OG : rot -145:sc= 0.0942 USER MOD Single : A 26 ASN : amide:sc= -0.0864 K(o=-0.086,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 51:sc= 1.1 USER MOD Single : A 43 HIS : no HE2:sc= -0.534 K(o=-0.53,f=-2.9!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -3.53 F(o=-5!,f=-3.5) USER MOD Single : A 48 HIS : +bothHN:sc= 0.423 K(o=0.42,f=-7.7!) USER MOD Single : A 53 ASN : amide:sc= 0.614 K(o=0.61,f=-4.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 129:sc= 1.24 USER MOD Single : A 65 ASN : amide:sc= -0.39! C(o=-0.39!,f=-5.9!) USER MOD Single : A 68 SER OG : rot -42:sc= 0.518 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.01) USER MOD Single : A 71 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HE2:sc= 0.177 F(o=-0.63,f=0.18) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -171:sc= -1.67! USER MOD Single : A 105 SER OG : rot 160:sc= 0.00589 USER MOD Single : A 107 SER OG : rot 160:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 170:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -0.586 K(o=-0.59,f=-6.7!) USER MOD Single : A 122 LYS NZ :NH3+ 149:sc= 0.974 (180deg=0.00821) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.0435 K(o=0.044,f=-2.6!) USER MOD Single : A 134 SER OG : rot 176:sc= -0.405 USER MOD Single : A 135 THR OG1 : rot -86:sc= 1.81 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN :FLIP amide:sc= 0.245 F(o=-0.7,f=0.25) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.132 -10.947 -0.160 1.00 0.00 N ATOM 2 CA ALA A 1 7.274 -11.826 -0.437 1.00 0.00 C ATOM 3 C ALA A 1 6.845 -12.984 -1.331 1.00 0.00 C ATOM 4 O ALA A 1 6.905 -12.872 -2.540 1.00 0.00 O ATOM 5 CB ALA A 1 7.909 -12.314 0.849 1.00 0.00 C ATOM 0 H1 ALA A 1 6.271 -10.035 -0.641 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.259 -11.392 -0.508 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.056 -10.790 0.865 1.00 0.00 H new ATOM 0 HA ALA A 1 8.033 -11.254 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.753 -12.963 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.259 -11.460 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.173 -12.870 1.430 1.00 0.00 H new ATOM 13 N THR A 2 6.403 -14.074 -0.731 1.00 0.00 N ATOM 14 CA THR A 2 5.865 -15.208 -1.476 1.00 0.00 C ATOM 15 C THR A 2 4.329 -15.060 -1.558 1.00 0.00 C ATOM 16 O THR A 2 3.666 -15.566 -2.461 1.00 0.00 O ATOM 17 CB THR A 2 6.247 -16.505 -0.753 1.00 0.00 C ATOM 18 OG1 THR A 2 7.649 -16.431 -0.410 1.00 0.00 O ATOM 19 CG2 THR A 2 6.015 -17.716 -1.647 1.00 0.00 C ATOM 0 H THR A 2 6.405 -14.203 0.281 1.00 0.00 H new ATOM 0 HA THR A 2 6.274 -15.237 -2.486 1.00 0.00 H new ATOM 0 HB THR A 2 5.630 -16.616 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.916 -17.251 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.294 -18.623 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.962 -17.767 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.623 -17.626 -2.547 1.00 0.00 H new ATOM 27 N LYS A 3 3.803 -14.373 -0.565 1.00 0.00 N ATOM 28 CA LYS A 3 2.418 -13.986 -0.440 1.00 0.00 C ATOM 29 C LYS A 3 2.413 -12.963 0.636 1.00 0.00 C ATOM 30 O LYS A 3 3.492 -12.696 1.201 1.00 0.00 O ATOM 31 CB LYS A 3 1.478 -15.162 -0.097 1.00 0.00 C ATOM 32 CG LYS A 3 1.777 -15.900 1.202 1.00 0.00 C ATOM 33 CD LYS A 3 0.717 -16.958 1.457 1.00 0.00 C ATOM 34 CE LYS A 3 0.978 -17.754 2.726 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.093 -18.744 2.983 1.00 0.00 N ATOM 0 H LYS A 3 4.367 -14.052 0.222 1.00 0.00 H new ATOM 0 HA LYS A 3 2.035 -13.610 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.457 -14.783 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.514 -15.880 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.761 -16.366 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.805 -15.194 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.260 -16.479 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.677 -17.639 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.936 -18.268 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.054 -17.073 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.120 -19.267 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.003 -18.252 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.149 -19.410 2.186 1.00 0.00 H new ATOM 49 N ALA A 4 1.321 -12.321 0.861 1.00 0.00 N ATOM 50 CA ALA A 4 1.228 -11.397 1.940 1.00 0.00 C ATOM 51 C ALA A 4 -0.191 -11.328 2.409 1.00 0.00 C ATOM 52 O ALA A 4 -1.074 -11.710 1.687 1.00 0.00 O ATOM 53 CB ALA A 4 1.802 -10.023 1.594 1.00 0.00 C ATOM 0 H ALA A 4 0.470 -12.419 0.307 1.00 0.00 H new ATOM 0 HA ALA A 4 1.849 -11.759 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.704 -9.361 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.855 -10.124 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.257 -9.603 0.749 1.00 0.00 H new ATOM 59 N VAL A 5 -0.393 -10.889 3.596 1.00 0.00 N ATOM 60 CA VAL A 5 -1.699 -10.809 4.197 1.00 0.00 C ATOM 61 C VAL A 5 -1.746 -9.516 4.993 1.00 0.00 C ATOM 62 O VAL A 5 -0.913 -9.301 5.870 1.00 0.00 O ATOM 63 CB VAL A 5 -1.963 -12.022 5.152 1.00 0.00 C ATOM 64 CG1 VAL A 5 -3.314 -11.899 5.833 1.00 0.00 C ATOM 65 CG2 VAL A 5 -1.875 -13.361 4.422 1.00 0.00 C ATOM 0 H VAL A 5 0.358 -10.563 4.205 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.465 -10.832 3.422 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.178 -11.997 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.470 -12.755 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.343 -10.981 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.101 -11.872 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.065 -14.172 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.618 -13.390 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.879 -13.478 3.995 1.00 0.00 H new ATOM 75 N ALA A 6 -2.671 -8.655 4.672 1.00 0.00 N ATOM 76 CA ALA A 6 -2.764 -7.376 5.332 1.00 0.00 C ATOM 77 C ALA A 6 -4.158 -7.163 5.861 1.00 0.00 C ATOM 78 O ALA A 6 -5.132 -7.611 5.245 1.00 0.00 O ATOM 79 CB ALA A 6 -2.389 -6.270 4.372 1.00 0.00 C ATOM 0 H ALA A 6 -3.377 -8.814 3.953 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.070 -7.360 6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.462 -5.308 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.367 -6.421 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.067 -6.283 3.519 1.00 0.00 H new ATOM 85 N VAL A 7 -4.254 -6.493 6.990 1.00 0.00 N ATOM 86 CA VAL A 7 -5.523 -6.227 7.627 1.00 0.00 C ATOM 87 C VAL A 7 -5.565 -4.771 8.085 1.00 0.00 C ATOM 88 O VAL A 7 -4.651 -4.300 8.765 1.00 0.00 O ATOM 89 CB VAL A 7 -5.829 -7.240 8.790 1.00 0.00 C ATOM 90 CG1 VAL A 7 -4.719 -7.277 9.830 1.00 0.00 C ATOM 91 CG2 VAL A 7 -7.179 -6.953 9.446 1.00 0.00 C ATOM 0 H VAL A 7 -3.450 -6.117 7.492 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.320 -6.379 6.900 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.879 -8.228 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.977 -7.991 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.786 -7.580 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.598 -6.286 10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.356 -7.673 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.175 -5.945 9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.970 -7.036 8.701 1.00 0.00 H new ATOM 101 N LEU A 8 -6.583 -4.068 7.666 1.00 0.00 N ATOM 102 CA LEU A 8 -6.707 -2.659 7.927 1.00 0.00 C ATOM 103 C LEU A 8 -8.030 -2.358 8.595 1.00 0.00 C ATOM 104 O LEU A 8 -9.023 -3.024 8.314 1.00 0.00 O ATOM 105 CB LEU A 8 -6.524 -1.806 6.628 1.00 0.00 C ATOM 106 CG LEU A 8 -7.475 -2.060 5.419 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.314 -0.952 4.394 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.180 -3.390 4.734 1.00 0.00 C ATOM 0 H LEU A 8 -7.356 -4.461 7.129 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.904 -2.378 8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.619 -0.757 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.502 -1.952 6.279 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.492 -2.083 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.981 -1.136 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.562 0.006 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.283 -0.929 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.865 -3.528 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.154 -3.390 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.310 -4.204 5.448 1.00 0.00 H new ATOM 120 N LYS A 9 -8.023 -1.405 9.494 1.00 0.00 N ATOM 121 CA LYS A 9 -9.198 -0.983 10.214 1.00 0.00 C ATOM 122 C LYS A 9 -8.884 0.369 10.826 1.00 0.00 C ATOM 123 O LYS A 9 -7.792 0.564 11.367 1.00 0.00 O ATOM 124 CB LYS A 9 -9.552 -2.011 11.302 1.00 0.00 C ATOM 125 CG LYS A 9 -10.900 -1.784 11.985 1.00 0.00 C ATOM 126 CD LYS A 9 -11.176 -2.852 13.043 1.00 0.00 C ATOM 127 CE LYS A 9 -11.351 -4.255 12.441 1.00 0.00 C ATOM 128 NZ LYS A 9 -12.623 -4.410 11.682 1.00 0.00 N ATOM 0 H LYS A 9 -7.181 -0.890 9.751 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.059 -0.907 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.549 -3.006 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.770 -2.000 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.913 -0.798 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.694 -1.795 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.354 -2.869 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.076 -2.584 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.512 -4.467 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.320 -4.994 13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.684 -5.376 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.429 -4.237 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.645 -3.726 10.899 1.00 0.00 H new ATOM 142 N GLY A 10 -9.794 1.294 10.729 1.00 0.00 N ATOM 143 CA GLY A 10 -9.529 2.622 11.207 1.00 0.00 C ATOM 144 C GLY A 10 -10.785 3.348 11.596 1.00 0.00 C ATOM 145 O GLY A 10 -11.791 2.716 11.945 1.00 0.00 O ATOM 0 H GLY A 10 -10.721 1.156 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.861 2.570 12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.010 3.188 10.433 1.00 0.00 H new ATOM 149 N ASP A 11 -10.688 4.672 11.586 1.00 0.00 N ATOM 150 CA ASP A 11 -11.803 5.585 11.870 1.00 0.00 C ATOM 151 C ASP A 11 -12.985 5.287 10.952 1.00 0.00 C ATOM 152 O ASP A 11 -14.118 5.105 11.409 1.00 0.00 O ATOM 153 CB ASP A 11 -11.331 7.035 11.684 1.00 0.00 C ATOM 154 CG ASP A 11 -12.427 8.060 11.867 1.00 0.00 C ATOM 155 OD1 ASP A 11 -12.808 8.344 13.017 1.00 0.00 O ATOM 156 OD2 ASP A 11 -12.902 8.614 10.865 1.00 0.00 O ATOM 0 H ASP A 11 -9.816 5.157 11.376 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.131 5.442 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.531 7.241 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.907 7.144 10.686 1.00 0.00 H new ATOM 161 N GLY A 12 -12.707 5.222 9.672 1.00 0.00 N ATOM 162 CA GLY A 12 -13.703 4.814 8.715 1.00 0.00 C ATOM 163 C GLY A 12 -13.589 3.322 8.517 1.00 0.00 C ATOM 164 O GLY A 12 -12.556 2.741 8.909 1.00 0.00 O ATOM 0 H GLY A 12 -11.797 5.447 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.700 5.074 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.556 5.335 7.769 1.00 0.00 H new ATOM 168 N PRO A 13 -14.578 2.639 7.940 1.00 0.00 N ATOM 169 CA PRO A 13 -14.489 1.231 7.794 1.00 0.00 C ATOM 170 C PRO A 13 -13.851 0.862 6.475 1.00 0.00 C ATOM 171 O PRO A 13 -14.301 1.256 5.392 1.00 0.00 O ATOM 172 CB PRO A 13 -15.958 0.782 7.832 1.00 0.00 C ATOM 173 CG PRO A 13 -16.772 2.019 7.549 1.00 0.00 C ATOM 174 CD PRO A 13 -15.799 3.158 7.362 1.00 0.00 C ATOM 0 HA PRO A 13 -13.874 0.761 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.150 0.009 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.213 0.360 8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.382 1.883 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.455 2.227 8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.672 3.412 6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.134 4.063 7.870 1.00 0.00 H new ATOM 182 N VAL A 14 -12.818 0.122 6.595 1.00 0.00 N ATOM 183 CA VAL A 14 -12.079 -0.410 5.534 1.00 0.00 C ATOM 184 C VAL A 14 -11.870 -1.848 5.878 1.00 0.00 C ATOM 185 O VAL A 14 -11.562 -2.154 7.030 1.00 0.00 O ATOM 186 CB VAL A 14 -10.707 0.336 5.331 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.934 1.726 4.763 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.936 0.457 6.650 1.00 0.00 C ATOM 0 H VAL A 14 -12.445 -0.143 7.506 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.609 -0.291 4.589 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.118 -0.256 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.975 2.226 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.439 1.648 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.552 2.304 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.994 0.977 6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.532 1.019 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.733 -0.538 7.045 1.00 0.00 H new ATOM 198 N GLN A 15 -12.119 -2.719 4.990 1.00 0.00 N ATOM 199 CA GLN A 15 -11.860 -4.109 5.260 1.00 0.00 C ATOM 200 C GLN A 15 -11.426 -4.741 3.965 1.00 0.00 C ATOM 201 O GLN A 15 -12.135 -4.646 2.966 1.00 0.00 O ATOM 202 CB GLN A 15 -13.127 -4.801 5.831 1.00 0.00 C ATOM 203 CG GLN A 15 -12.910 -6.131 6.596 1.00 0.00 C ATOM 204 CD GLN A 15 -12.265 -7.250 5.790 1.00 0.00 C ATOM 205 OE1 GLN A 15 -11.033 -7.411 5.784 1.00 0.00 O ATOM 206 NE2 GLN A 15 -13.072 -8.019 5.105 1.00 0.00 N ATOM 0 H GLN A 15 -12.501 -2.518 4.066 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.078 -4.219 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.624 -4.100 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.812 -4.992 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.289 -5.931 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.875 -6.481 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.079 -7.857 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.695 -8.781 4.542 1.00 0.00 H new ATOM 215 N GLY A 16 -10.263 -5.336 3.964 1.00 0.00 N ATOM 216 CA GLY A 16 -9.761 -5.958 2.802 1.00 0.00 C ATOM 217 C GLY A 16 -8.547 -6.766 3.103 1.00 0.00 C ATOM 218 O GLY A 16 -7.930 -6.577 4.150 1.00 0.00 O ATOM 0 H GLY A 16 -9.649 -5.395 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.529 -6.599 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.521 -5.200 2.056 1.00 0.00 H new ATOM 222 N ILE A 17 -8.212 -7.665 2.221 1.00 0.00 N ATOM 223 CA ILE A 17 -7.035 -8.478 2.366 1.00 0.00 C ATOM 224 C ILE A 17 -6.265 -8.479 1.050 1.00 0.00 C ATOM 225 O ILE A 17 -6.724 -9.002 0.046 1.00 0.00 O ATOM 226 CB ILE A 17 -7.357 -9.945 2.846 1.00 0.00 C ATOM 227 CG1 ILE A 17 -6.059 -10.775 2.966 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.378 -10.641 1.932 1.00 0.00 C ATOM 229 CD1 ILE A 17 -6.267 -12.194 3.460 1.00 0.00 C ATOM 0 H ILE A 17 -8.750 -7.856 1.376 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.418 -8.042 3.152 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.814 -9.873 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.573 -10.810 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.376 -10.263 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.569 -11.649 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.309 -10.073 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.981 -10.695 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.306 -12.705 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.723 -12.172 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.922 -12.727 2.771 1.00 0.00 H new ATOM 241 N ILE A 18 -5.136 -7.846 1.049 1.00 0.00 N ATOM 242 CA ILE A 18 -4.308 -7.764 -0.132 1.00 0.00 C ATOM 243 C ILE A 18 -3.095 -8.636 0.040 1.00 0.00 C ATOM 244 O ILE A 18 -2.473 -8.633 1.101 1.00 0.00 O ATOM 245 CB ILE A 18 -3.878 -6.296 -0.538 1.00 0.00 C ATOM 246 CG1 ILE A 18 -3.360 -5.434 0.653 1.00 0.00 C ATOM 247 CG2 ILE A 18 -4.976 -5.574 -1.307 1.00 0.00 C ATOM 248 CD1 ILE A 18 -4.441 -4.905 1.599 1.00 0.00 C ATOM 0 H ILE A 18 -4.753 -7.367 1.864 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.925 -8.119 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.025 -6.425 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.655 -6.031 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.806 -4.586 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.639 -4.570 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.205 -6.126 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.871 -5.508 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.976 -4.319 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.136 -4.276 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.982 -5.743 2.038 1.00 0.00 H new ATOM 260 N ASN A 19 -2.794 -9.426 -0.966 1.00 0.00 N ATOM 261 CA ASN A 19 -1.645 -10.315 -0.913 1.00 0.00 C ATOM 262 C ASN A 19 -0.570 -9.749 -1.796 1.00 0.00 C ATOM 263 O ASN A 19 -0.896 -9.247 -2.853 1.00 0.00 O ATOM 264 CB ASN A 19 -2.001 -11.752 -1.370 1.00 0.00 C ATOM 265 CG ASN A 19 -2.965 -12.525 -0.442 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.923 -11.853 0.162 1.00 0.00 O flip ATOM 267 ND2 ASN A 19 -2.857 -13.749 -0.307 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.327 -9.474 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.303 -10.383 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.446 -11.699 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.078 -12.324 -1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.108 -14.251 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.517 -14.257 0.281 1.00 0.00 H new ATOM 274 N PHE A 20 0.706 -9.798 -1.381 1.00 0.00 N ATOM 275 CA PHE A 20 1.751 -9.190 -2.188 1.00 0.00 C ATOM 276 C PHE A 20 2.997 -10.083 -2.264 1.00 0.00 C ATOM 277 O PHE A 20 3.545 -10.510 -1.223 1.00 0.00 O ATOM 278 CB PHE A 20 2.101 -7.812 -1.619 1.00 0.00 C ATOM 279 CG PHE A 20 2.818 -6.933 -2.584 1.00 0.00 C ATOM 280 CD1 PHE A 20 2.104 -6.123 -3.444 1.00 0.00 C ATOM 281 CD2 PHE A 20 4.189 -6.914 -2.646 1.00 0.00 C ATOM 282 CE1 PHE A 20 2.749 -5.316 -4.344 1.00 0.00 C ATOM 283 CE2 PHE A 20 4.832 -6.106 -3.546 1.00 0.00 C ATOM 284 CZ PHE A 20 4.116 -5.304 -4.396 1.00 0.00 C ATOM 0 H PHE A 20 1.023 -10.240 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 20 1.378 -9.074 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.184 -7.316 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.718 -7.941 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.025 -6.125 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.765 -7.540 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.178 -4.689 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.911 -6.101 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.628 -4.667 -5.102 1.00 0.00 H new ATOM 294 N GLU A 21 3.456 -10.354 -3.475 1.00 0.00 N ATOM 295 CA GLU A 21 4.606 -11.208 -3.680 1.00 0.00 C ATOM 296 C GLU A 21 5.614 -10.624 -4.703 1.00 0.00 C ATOM 297 O GLU A 21 5.416 -10.678 -5.894 1.00 0.00 O ATOM 298 CB GLU A 21 4.148 -12.617 -4.074 1.00 0.00 C ATOM 299 CG GLU A 21 3.191 -12.679 -5.255 1.00 0.00 C ATOM 300 CD GLU A 21 2.877 -14.089 -5.651 1.00 0.00 C ATOM 301 OE1 GLU A 21 3.671 -14.684 -6.404 1.00 0.00 O ATOM 302 OE2 GLU A 21 1.835 -14.634 -5.217 1.00 0.00 O ATOM 0 H GLU A 21 3.044 -9.990 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 21 5.146 -11.266 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.028 -13.216 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.667 -13.080 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.267 -12.160 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.628 -12.153 -6.104 1.00 0.00 H new ATOM 309 N GLN A 22 6.693 -10.069 -4.202 1.00 0.00 N ATOM 310 CA GLN A 22 7.708 -9.468 -4.991 1.00 0.00 C ATOM 311 C GLN A 22 9.036 -10.083 -4.570 1.00 0.00 C ATOM 312 O GLN A 22 9.096 -10.695 -3.494 1.00 0.00 O ATOM 313 CB GLN A 22 7.727 -7.974 -4.676 1.00 0.00 C ATOM 314 CG GLN A 22 8.437 -7.595 -3.356 1.00 0.00 C ATOM 315 CD GLN A 22 7.967 -8.304 -2.065 1.00 0.00 C ATOM 316 OE1 GLN A 22 6.798 -8.677 -1.868 1.00 0.00 O ATOM 317 NE2 GLN A 22 8.906 -8.563 -1.229 1.00 0.00 N ATOM 0 H GLN A 22 6.881 -10.029 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 22 7.534 -9.623 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.216 -7.451 -5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.699 -7.613 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.502 -7.791 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.325 -6.521 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.857 -8.245 -1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.701 -9.087 -0.378 1.00 0.00 H new ATOM 326 N LYS A 23 10.063 -9.934 -5.394 1.00 0.00 N ATOM 327 CA LYS A 23 11.443 -10.395 -5.117 1.00 0.00 C ATOM 328 C LYS A 23 11.556 -11.945 -5.004 1.00 0.00 C ATOM 329 O LYS A 23 12.329 -12.547 -5.730 1.00 0.00 O ATOM 330 CB LYS A 23 12.050 -9.603 -3.923 1.00 0.00 C ATOM 331 CG LYS A 23 13.574 -9.694 -3.760 1.00 0.00 C ATOM 332 CD LYS A 23 14.027 -10.881 -2.932 1.00 0.00 C ATOM 333 CE LYS A 23 13.614 -10.729 -1.480 1.00 0.00 C ATOM 334 NZ LYS A 23 14.125 -11.828 -0.653 1.00 0.00 N ATOM 0 H LYS A 23 9.972 -9.478 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 23 12.065 -10.164 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.778 -8.553 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.584 -9.958 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.033 -9.754 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.936 -8.778 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.599 -11.797 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.111 -10.980 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.985 -9.780 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.527 -10.698 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.638 -11.826 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.953 -12.734 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.147 -11.704 -0.504 1.00 0.00 H new ATOM 348 N GLU A 24 10.787 -12.565 -4.107 1.00 0.00 N ATOM 349 CA GLU A 24 10.669 -14.025 -4.042 1.00 0.00 C ATOM 350 C GLU A 24 9.998 -14.496 -5.307 1.00 0.00 C ATOM 351 O GLU A 24 10.406 -15.484 -5.919 1.00 0.00 O ATOM 352 CB GLU A 24 9.860 -14.474 -2.817 1.00 0.00 C ATOM 353 CG GLU A 24 10.689 -14.847 -1.596 1.00 0.00 C ATOM 354 CD GLU A 24 11.693 -13.811 -1.211 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.325 -12.801 -0.568 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.893 -13.979 -1.548 1.00 0.00 O ATOM 0 H GLU A 24 10.231 -12.073 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 24 11.663 -14.461 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.175 -13.673 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.250 -15.332 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.020 -15.022 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.206 -15.786 -1.793 1.00 0.00 H new ATOM 363 N SER A 25 8.959 -13.787 -5.691 1.00 0.00 N ATOM 364 CA SER A 25 8.348 -14.010 -6.953 1.00 0.00 C ATOM 365 C SER A 25 9.165 -13.274 -8.016 1.00 0.00 C ATOM 366 O SER A 25 9.818 -13.919 -8.832 1.00 0.00 O ATOM 367 CB SER A 25 6.896 -13.556 -6.922 1.00 0.00 C ATOM 368 OG SER A 25 6.214 -14.227 -5.874 1.00 0.00 O ATOM 0 H SER A 25 8.528 -13.050 -5.133 1.00 0.00 H new ATOM 0 HA SER A 25 8.336 -15.073 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.844 -12.478 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.417 -13.769 -7.877 1.00 0.00 H new ATOM 0 HG SER A 25 5.291 -14.409 -6.148 1.00 0.00 H new ATOM 374 N ASN A 26 9.170 -11.923 -7.936 1.00 0.00 N ATOM 375 CA ASN A 26 9.943 -11.027 -8.850 1.00 0.00 C ATOM 376 C ASN A 26 9.538 -11.283 -10.289 1.00 0.00 C ATOM 377 O ASN A 26 10.030 -12.211 -10.936 1.00 0.00 O ATOM 378 CB ASN A 26 11.467 -11.227 -8.683 1.00 0.00 C ATOM 379 CG ASN A 26 12.318 -10.134 -9.330 1.00 0.00 C ATOM 380 OD1 ASN A 26 11.944 -9.509 -10.323 1.00 0.00 O ATOM 381 ND2 ASN A 26 13.472 -9.899 -8.765 1.00 0.00 N ATOM 0 H ASN A 26 8.636 -11.413 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 26 9.711 -9.995 -8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.702 -11.272 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.745 -12.190 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.090 -9.182 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.756 -10.433 -7.943 1.00 0.00 H new ATOM 388 N GLY A 27 8.653 -10.497 -10.790 1.00 0.00 N ATOM 389 CA GLY A 27 8.122 -10.801 -12.087 1.00 0.00 C ATOM 390 C GLY A 27 6.688 -10.512 -12.086 1.00 0.00 C ATOM 391 O GLY A 27 6.296 -9.528 -11.477 1.00 0.00 O ATOM 0 H GLY A 27 8.284 -9.658 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.626 -10.208 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.296 -11.849 -12.330 1.00 0.00 H new ATOM 395 N PRO A 28 5.850 -11.303 -12.768 1.00 0.00 N ATOM 396 CA PRO A 28 4.429 -11.082 -12.694 1.00 0.00 C ATOM 397 C PRO A 28 4.018 -11.264 -11.252 1.00 0.00 C ATOM 398 O PRO A 28 4.241 -12.326 -10.650 1.00 0.00 O ATOM 399 CB PRO A 28 3.836 -12.198 -13.562 1.00 0.00 C ATOM 400 CG PRO A 28 4.962 -12.665 -14.415 1.00 0.00 C ATOM 401 CD PRO A 28 6.210 -12.443 -13.613 1.00 0.00 C ATOM 0 HA PRO A 28 4.106 -10.095 -13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.444 -13.009 -12.948 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.009 -11.829 -14.168 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.846 -13.718 -14.672 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.997 -12.110 -15.353 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.472 -13.320 -13.021 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.066 -12.221 -14.250 1.00 0.00 H new ATOM 409 N VAL A 29 3.443 -10.268 -10.698 1.00 0.00 N ATOM 410 CA VAL A 29 3.125 -10.299 -9.332 1.00 0.00 C ATOM 411 C VAL A 29 1.676 -10.566 -9.156 1.00 0.00 C ATOM 412 O VAL A 29 0.816 -9.797 -9.599 1.00 0.00 O ATOM 413 CB VAL A 29 3.644 -9.032 -8.604 1.00 0.00 C ATOM 414 CG1 VAL A 29 3.127 -8.933 -7.197 1.00 0.00 C ATOM 415 CG2 VAL A 29 5.152 -9.077 -8.572 1.00 0.00 C ATOM 0 H VAL A 29 3.181 -9.409 -11.182 1.00 0.00 H new ATOM 0 HA VAL A 29 3.646 -11.126 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 29 3.286 -8.159 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.518 -8.030 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.038 -8.892 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.450 -9.805 -6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.532 -8.191 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.478 -9.970 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.537 -9.102 -9.591 1.00 0.00 H new ATOM 425 N LYS A 30 1.421 -11.717 -8.602 1.00 0.00 N ATOM 426 CA LYS A 30 0.104 -12.222 -8.388 1.00 0.00 C ATOM 427 C LYS A 30 -0.449 -11.675 -7.097 1.00 0.00 C ATOM 428 O LYS A 30 -0.088 -12.116 -6.003 1.00 0.00 O ATOM 429 CB LYS A 30 0.146 -13.734 -8.351 1.00 0.00 C ATOM 430 CG LYS A 30 0.645 -14.376 -9.636 1.00 0.00 C ATOM 431 CD LYS A 30 0.826 -15.879 -9.479 1.00 0.00 C ATOM 432 CE LYS A 30 1.889 -16.209 -8.438 1.00 0.00 C ATOM 433 NZ LYS A 30 2.124 -17.659 -8.303 1.00 0.00 N ATOM 0 H LYS A 30 2.154 -12.348 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.547 -11.907 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.788 -14.048 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.855 -14.109 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.062 -14.176 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.593 -13.923 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.122 -16.332 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.107 -16.315 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.823 -15.718 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.585 -15.803 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.855 -17.827 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.241 -18.128 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.441 -18.046 -9.215 1.00 0.00 H new ATOM 447 N VAL A 31 -1.300 -10.718 -7.221 1.00 0.00 N ATOM 448 CA VAL A 31 -1.857 -10.032 -6.108 1.00 0.00 C ATOM 449 C VAL A 31 -3.343 -9.976 -6.244 1.00 0.00 C ATOM 450 O VAL A 31 -3.884 -9.877 -7.356 1.00 0.00 O ATOM 451 CB VAL A 31 -1.294 -8.586 -5.964 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.153 -8.625 -5.630 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.520 -7.755 -7.213 1.00 0.00 C ATOM 0 H VAL A 31 -1.637 -10.382 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.579 -10.586 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.840 -8.108 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.532 -7.607 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.295 -9.156 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.696 -9.140 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.111 -6.756 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.023 -8.228 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.589 -7.683 -7.414 1.00 0.00 H new ATOM 463 N TRP A 32 -3.990 -10.065 -5.147 1.00 0.00 N ATOM 464 CA TRP A 32 -5.398 -9.994 -5.102 1.00 0.00 C ATOM 465 C TRP A 32 -5.805 -9.360 -3.799 1.00 0.00 C ATOM 466 O TRP A 32 -5.176 -9.622 -2.756 1.00 0.00 O ATOM 467 CB TRP A 32 -6.043 -11.401 -5.259 1.00 0.00 C ATOM 468 CG TRP A 32 -5.683 -12.391 -4.187 1.00 0.00 C ATOM 469 CD1 TRP A 32 -4.604 -13.223 -4.164 1.00 0.00 C ATOM 470 CD2 TRP A 32 -6.420 -12.652 -2.984 1.00 0.00 C ATOM 471 NE1 TRP A 32 -4.617 -13.978 -3.021 1.00 0.00 N ATOM 472 CE2 TRP A 32 -5.725 -13.645 -2.277 1.00 0.00 C ATOM 473 CE3 TRP A 32 -7.600 -12.134 -2.436 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -6.168 -14.131 -1.053 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -8.036 -12.616 -1.226 1.00 0.00 C ATOM 476 CH2 TRP A 32 -7.323 -13.604 -0.544 1.00 0.00 C ATOM 0 H TRP A 32 -3.548 -10.192 -4.237 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.754 -9.388 -5.935 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.127 -11.287 -5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.750 -11.812 -6.225 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.849 -13.279 -4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.918 -14.675 -2.763 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.157 -11.369 -2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.621 -14.897 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.945 -12.224 -0.795 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.692 -13.960 0.407 1.00 0.00 H new ATOM 487 N GLY A 33 -6.719 -8.445 -3.863 1.00 0.00 N ATOM 488 CA GLY A 33 -7.313 -7.968 -2.652 1.00 0.00 C ATOM 489 C GLY A 33 -8.587 -7.215 -2.879 1.00 0.00 C ATOM 490 O GLY A 33 -8.677 -6.373 -3.751 1.00 0.00 O ATOM 0 H GLY A 33 -7.066 -8.019 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.510 -8.814 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.603 -7.322 -2.136 1.00 0.00 H new ATOM 494 N SER A 34 -9.530 -7.476 -2.050 1.00 0.00 N ATOM 495 CA SER A 34 -10.832 -6.909 -2.122 1.00 0.00 C ATOM 496 C SER A 34 -11.038 -6.032 -0.916 1.00 0.00 C ATOM 497 O SER A 34 -10.834 -6.491 0.196 1.00 0.00 O ATOM 498 CB SER A 34 -11.808 -8.071 -2.165 1.00 0.00 C ATOM 499 OG SER A 34 -11.514 -8.910 -3.276 1.00 0.00 O ATOM 0 H SER A 34 -9.413 -8.119 -1.267 1.00 0.00 H new ATOM 0 HA SER A 34 -10.978 -6.286 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.746 -8.644 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.829 -7.697 -2.241 1.00 0.00 H new ATOM 0 HG SER A 34 -12.146 -9.659 -3.297 1.00 0.00 H new ATOM 505 N ILE A 35 -11.414 -4.797 -1.112 1.00 0.00 N ATOM 506 CA ILE A 35 -11.577 -3.882 0.011 1.00 0.00 C ATOM 507 C ILE A 35 -12.919 -3.171 -0.050 1.00 0.00 C ATOM 508 O ILE A 35 -13.355 -2.716 -1.111 1.00 0.00 O ATOM 509 CB ILE A 35 -10.329 -2.896 0.140 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.364 -1.950 1.388 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.099 -2.103 -1.137 1.00 0.00 C ATOM 512 CD1 ILE A 35 -11.231 -0.702 1.266 1.00 0.00 C ATOM 0 H ILE A 35 -11.614 -4.393 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.591 -4.461 0.934 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.478 -3.557 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.713 -2.527 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.343 -1.637 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.240 -1.444 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.908 -2.789 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.984 -1.506 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.175 -0.128 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.874 -0.091 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.265 -0.994 1.083 1.00 0.00 H new ATOM 524 N LYS A 36 -13.579 -3.152 1.080 1.00 0.00 N ATOM 525 CA LYS A 36 -14.835 -2.513 1.245 1.00 0.00 C ATOM 526 C LYS A 36 -14.629 -1.238 2.053 1.00 0.00 C ATOM 527 O LYS A 36 -13.930 -1.255 3.074 1.00 0.00 O ATOM 528 CB LYS A 36 -15.849 -3.469 1.893 1.00 0.00 C ATOM 529 CG LYS A 36 -15.406 -4.065 3.219 1.00 0.00 C ATOM 530 CD LYS A 36 -16.461 -4.977 3.834 1.00 0.00 C ATOM 531 CE LYS A 36 -17.728 -4.223 4.188 1.00 0.00 C ATOM 532 NZ LYS A 36 -18.703 -5.083 4.887 1.00 0.00 N ATOM 0 H LYS A 36 -13.236 -3.599 1.930 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.253 -2.240 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.786 -2.933 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.057 -4.282 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.486 -4.630 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.176 -3.259 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.700 -5.778 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.056 -5.446 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.479 -3.370 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.180 -3.826 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.555 -4.530 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.961 -5.884 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.281 -5.442 5.767 1.00 0.00 H new ATOM 546 N GLY A 37 -15.210 -0.174 1.586 1.00 0.00 N ATOM 547 CA GLY A 37 -14.962 1.130 2.094 1.00 0.00 C ATOM 548 C GLY A 37 -16.111 2.026 1.759 1.00 0.00 C ATOM 549 O GLY A 37 -17.066 1.584 1.116 1.00 0.00 O ATOM 0 H GLY A 37 -15.886 -0.196 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.822 1.090 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.041 1.528 1.668 1.00 0.00 H new ATOM 553 N LEU A 38 -16.069 3.225 2.263 1.00 0.00 N ATOM 554 CA LEU A 38 -17.089 4.238 2.008 1.00 0.00 C ATOM 555 C LEU A 38 -17.013 4.690 0.510 1.00 0.00 C ATOM 556 O LEU A 38 -16.103 4.307 -0.201 1.00 0.00 O ATOM 557 CB LEU A 38 -16.875 5.413 2.984 1.00 0.00 C ATOM 558 CG LEU A 38 -17.922 6.536 2.996 1.00 0.00 C ATOM 559 CD1 LEU A 38 -19.302 5.994 3.353 1.00 0.00 C ATOM 560 CD2 LEU A 38 -17.505 7.611 3.982 1.00 0.00 C ATOM 0 H LEU A 38 -15.318 3.546 2.875 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.088 3.836 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.812 5.003 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.907 5.861 2.761 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.981 6.967 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.024 6.810 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.601 5.246 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.269 5.537 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.250 8.407 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.426 7.179 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.539 8.020 3.687 1.00 0.00 H new ATOM 572 N THR A 39 -17.969 5.491 0.043 1.00 0.00 N ATOM 573 CA THR A 39 -18.041 5.838 -1.380 1.00 0.00 C ATOM 574 C THR A 39 -16.892 6.697 -1.827 1.00 0.00 C ATOM 575 O THR A 39 -16.765 7.850 -1.420 1.00 0.00 O ATOM 576 CB THR A 39 -19.419 6.518 -1.735 1.00 0.00 C ATOM 577 OG1 THR A 39 -19.501 6.899 -3.132 1.00 0.00 O ATOM 578 CG2 THR A 39 -19.727 7.727 -0.845 1.00 0.00 C ATOM 0 H THR A 39 -18.699 5.909 0.620 1.00 0.00 H new ATOM 0 HA THR A 39 -17.967 4.899 -1.929 1.00 0.00 H new ATOM 0 HB THR A 39 -20.175 5.757 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.260 6.134 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 39 -20.687 8.156 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.769 7.410 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.944 8.476 -0.965 1.00 0.00 H new ATOM 586 N GLU A 40 -16.058 6.096 -2.637 1.00 0.00 N ATOM 587 CA GLU A 40 -14.938 6.726 -3.205 1.00 0.00 C ATOM 588 C GLU A 40 -14.370 6.004 -4.358 1.00 0.00 C ATOM 589 O GLU A 40 -14.894 4.996 -4.850 1.00 0.00 O ATOM 590 CB GLU A 40 -13.868 7.132 -2.197 1.00 0.00 C ATOM 591 CG GLU A 40 -13.863 8.640 -1.865 1.00 0.00 C ATOM 592 CD GLU A 40 -13.614 9.512 -3.092 1.00 0.00 C ATOM 593 OE1 GLU A 40 -14.473 9.534 -4.015 1.00 0.00 O ATOM 594 OE2 GLU A 40 -12.554 10.175 -3.175 1.00 0.00 O ATOM 0 H GLU A 40 -16.161 5.120 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.340 7.659 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.017 6.568 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.890 6.852 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.819 8.913 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.094 8.841 -1.119 1.00 0.00 H new ATOM 601 N GLY A 41 -13.465 6.667 -4.881 1.00 0.00 N ATOM 602 CA GLY A 41 -12.622 6.261 -5.909 1.00 0.00 C ATOM 603 C GLY A 41 -11.685 5.129 -5.532 1.00 0.00 C ATOM 604 O GLY A 41 -12.020 4.208 -4.770 1.00 0.00 O ATOM 0 H GLY A 41 -13.261 7.618 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.228 5.948 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.029 7.115 -6.237 1.00 0.00 H new ATOM 608 N LEU A 42 -10.523 5.203 -6.079 1.00 0.00 N ATOM 609 CA LEU A 42 -9.634 4.161 -6.124 1.00 0.00 C ATOM 610 C LEU A 42 -8.232 4.645 -5.842 1.00 0.00 C ATOM 611 O LEU A 42 -7.901 5.779 -6.168 1.00 0.00 O ATOM 612 CB LEU A 42 -9.698 3.654 -7.520 1.00 0.00 C ATOM 613 CG LEU A 42 -9.179 4.586 -8.690 1.00 0.00 C ATOM 614 CD1 LEU A 42 -8.990 3.786 -9.949 1.00 0.00 C ATOM 615 CD2 LEU A 42 -10.136 5.741 -9.006 1.00 0.00 C ATOM 0 H LEU A 42 -10.174 6.052 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.878 3.399 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.130 2.724 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.737 3.403 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.235 5.005 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.633 4.439 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.259 2.997 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.941 3.341 -10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.724 6.343 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.104 5.340 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.261 6.363 -8.119 1.00 0.00 H new ATOM 627 N HIS A 43 -7.404 3.817 -5.234 1.00 0.00 N ATOM 628 CA HIS A 43 -6.076 4.240 -4.952 1.00 0.00 C ATOM 629 C HIS A 43 -5.184 3.610 -5.888 1.00 0.00 C ATOM 630 O HIS A 43 -5.381 2.452 -6.213 1.00 0.00 O ATOM 631 CB HIS A 43 -5.601 3.979 -3.491 1.00 0.00 C ATOM 632 CG HIS A 43 -5.232 2.555 -3.059 1.00 0.00 C ATOM 633 ND1 HIS A 43 -4.114 1.858 -3.528 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.771 1.763 -2.108 1.00 0.00 C ATOM 635 CE1 HIS A 43 -3.990 0.729 -2.873 1.00 0.00 C ATOM 636 NE2 HIS A 43 -4.979 0.643 -2.009 1.00 0.00 N ATOM 0 H HIS A 43 -7.635 2.869 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.065 5.325 -5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.730 4.610 -3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.389 4.328 -2.824 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -3.490 2.179 -4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.660 1.971 -1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.210 -0.004 -3.018 1.00 0.00 H new ATOM 645 N GLY A 44 -4.244 4.364 -6.352 1.00 0.00 N ATOM 646 CA GLY A 44 -3.233 3.827 -7.162 1.00 0.00 C ATOM 647 C GLY A 44 -2.373 2.858 -6.388 1.00 0.00 C ATOM 648 O GLY A 44 -2.784 1.742 -6.099 1.00 0.00 O ATOM 0 H GLY A 44 -4.166 5.365 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.679 3.319 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.614 4.632 -7.557 1.00 0.00 H new ATOM 652 N PHE A 45 -1.249 3.309 -5.943 1.00 0.00 N ATOM 653 CA PHE A 45 -0.223 2.384 -5.433 1.00 0.00 C ATOM 654 C PHE A 45 0.867 3.144 -4.637 1.00 0.00 C ATOM 655 O PHE A 45 1.793 3.660 -5.277 1.00 0.00 O ATOM 656 CB PHE A 45 0.557 1.706 -6.631 1.00 0.00 C ATOM 657 CG PHE A 45 -0.199 1.372 -7.918 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.951 0.214 -8.047 1.00 0.00 C ATOM 659 CD2 PHE A 45 -0.138 2.238 -9.002 1.00 0.00 C ATOM 660 CE1 PHE A 45 -1.617 -0.074 -9.219 1.00 0.00 C ATOM 661 CE2 PHE A 45 -0.803 1.952 -10.177 1.00 0.00 C ATOM 662 CZ PHE A 45 -1.544 0.795 -10.284 1.00 0.00 C ATOM 0 H PHE A 45 -0.994 4.296 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.749 1.658 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.385 2.363 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.993 0.780 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.016 -0.473 -7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.438 3.148 -8.924 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.196 -0.982 -9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.743 2.634 -11.012 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.067 0.570 -11.202 1.00 0.00 H new ATOM 672 N HIS A 46 0.769 3.268 -3.274 1.00 0.00 N ATOM 673 CA HIS A 46 1.889 3.830 -2.516 1.00 0.00 C ATOM 674 C HIS A 46 1.748 3.713 -0.989 1.00 0.00 C ATOM 675 O HIS A 46 1.268 4.661 -0.268 1.00 0.00 O ATOM 676 CB HIS A 46 2.264 5.274 -2.930 1.00 0.00 C ATOM 677 CG HIS A 46 3.511 5.816 -2.272 1.00 0.00 C ATOM 678 ND1 HIS A 46 3.780 7.045 -1.803 1.00 0.00 N flip ATOM 679 CD2 HIS A 46 4.654 5.070 -2.031 1.00 0.00 C flip ATOM 680 CE1 HIS A 46 5.056 7.030 -1.292 1.00 0.00 C flip ATOM 681 NE2 HIS A 46 5.556 5.824 -1.447 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.042 2.995 -2.718 1.00 0.00 H new ATOM 0 HA HIS A 46 2.723 3.188 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.398 5.304 -4.011 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.429 5.934 -2.694 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.783 4.028 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.563 7.869 -0.839 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.488 5.525 -1.161 1.00 0.00 H new ATOM 690 N VAL A 47 2.185 2.586 -0.512 1.00 0.00 N ATOM 691 CA VAL A 47 2.456 2.321 0.861 1.00 0.00 C ATOM 692 C VAL A 47 3.755 3.026 1.204 1.00 0.00 C ATOM 693 O VAL A 47 4.539 3.342 0.332 1.00 0.00 O ATOM 694 CB VAL A 47 2.620 0.764 1.092 1.00 0.00 C ATOM 695 CG1 VAL A 47 3.178 0.408 2.474 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.304 0.054 0.882 1.00 0.00 C ATOM 0 H VAL A 47 2.372 1.782 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 47 1.639 2.675 1.490 1.00 0.00 H new ATOM 0 HB VAL A 47 3.350 0.428 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.264 -0.675 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.161 0.862 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.506 0.784 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.437 -1.015 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.566 0.439 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.957 0.225 -0.137 1.00 0.00 H new ATOM 706 N HIS A 48 3.914 3.346 2.421 1.00 0.00 N ATOM 707 CA HIS A 48 5.146 3.877 2.946 1.00 0.00 C ATOM 708 C HIS A 48 5.129 3.655 4.380 1.00 0.00 C ATOM 709 O HIS A 48 4.165 4.066 4.977 1.00 0.00 O ATOM 710 CB HIS A 48 5.365 5.406 2.639 1.00 0.00 C ATOM 711 CG HIS A 48 4.302 6.390 3.133 1.00 0.00 C ATOM 712 ND1 HIS A 48 4.115 6.757 4.458 1.00 0.00 N ATOM 713 CD2 HIS A 48 3.400 7.102 2.434 1.00 0.00 C ATOM 714 CE1 HIS A 48 3.157 7.646 4.536 1.00 0.00 C ATOM 715 NE2 HIS A 48 2.700 7.880 3.313 1.00 0.00 N ATOM 0 H HIS A 48 3.179 3.251 3.122 1.00 0.00 H new ATOM 0 HA HIS A 48 5.975 3.365 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.322 5.701 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.453 5.522 1.559 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.643 6.390 5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.254 7.065 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.799 8.110 5.443 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.953 8.530 3.070 1.00 0.00 H new ATOM 724 N GLU A 49 6.039 2.801 4.888 1.00 0.00 N ATOM 725 CA GLU A 49 6.300 2.763 6.327 1.00 0.00 C ATOM 726 C GLU A 49 7.415 1.903 6.822 1.00 0.00 C ATOM 727 O GLU A 49 7.979 1.057 6.106 1.00 0.00 O ATOM 728 CB GLU A 49 5.089 2.764 7.260 1.00 0.00 C ATOM 729 CG GLU A 49 5.156 3.972 8.194 1.00 0.00 C ATOM 730 CD GLU A 49 5.716 5.226 7.462 1.00 0.00 C ATOM 731 OE1 GLU A 49 6.970 5.395 7.428 1.00 0.00 O ATOM 732 OE2 GLU A 49 4.947 5.997 6.860 1.00 0.00 O ATOM 0 H GLU A 49 6.590 2.146 4.333 1.00 0.00 H new ATOM 0 HA GLU A 49 6.710 3.770 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.169 2.795 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.067 1.843 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.161 4.190 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.788 3.737 9.051 1.00 0.00 H new ATOM 739 N PHE A 50 7.710 2.133 8.068 1.00 0.00 N ATOM 740 CA PHE A 50 8.673 1.421 8.801 1.00 0.00 C ATOM 741 C PHE A 50 7.978 0.658 9.934 1.00 0.00 C ATOM 742 O PHE A 50 8.618 0.198 10.840 1.00 0.00 O ATOM 743 CB PHE A 50 9.761 2.368 9.362 1.00 0.00 C ATOM 744 CG PHE A 50 9.305 3.355 10.427 1.00 0.00 C ATOM 745 CD1 PHE A 50 8.587 4.490 10.096 1.00 0.00 C ATOM 746 CD2 PHE A 50 9.624 3.144 11.760 1.00 0.00 C ATOM 747 CE1 PHE A 50 8.195 5.389 11.063 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.237 4.041 12.730 1.00 0.00 C ATOM 749 CZ PHE A 50 8.524 5.164 12.382 1.00 0.00 C ATOM 0 H PHE A 50 7.252 2.863 8.613 1.00 0.00 H new ATOM 0 HA PHE A 50 9.171 0.712 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.564 1.760 9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.187 2.931 8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.330 4.674 9.063 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.184 2.264 12.041 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.631 6.268 10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.493 3.863 13.764 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.222 5.869 13.142 1.00 0.00 H new ATOM 759 N GLY A 51 6.662 0.456 9.803 1.00 0.00 N ATOM 760 CA GLY A 51 5.903 -0.284 10.822 1.00 0.00 C ATOM 761 C GLY A 51 5.430 0.540 11.984 1.00 0.00 C ATOM 762 O GLY A 51 6.164 1.398 12.470 1.00 0.00 O ATOM 0 H GLY A 51 6.106 0.788 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.037 -0.744 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.526 -1.094 11.200 1.00 0.00 H new ATOM 766 N ASP A 52 4.191 0.305 12.441 1.00 0.00 N ATOM 767 CA ASP A 52 3.734 0.967 13.638 1.00 0.00 C ATOM 768 C ASP A 52 2.835 0.035 14.405 1.00 0.00 C ATOM 769 O ASP A 52 3.231 -0.516 15.433 1.00 0.00 O ATOM 770 CB ASP A 52 3.025 2.283 13.340 1.00 0.00 C ATOM 771 CG ASP A 52 2.834 3.098 14.597 1.00 0.00 C ATOM 772 OD1 ASP A 52 3.808 3.274 15.348 1.00 0.00 O ATOM 773 OD2 ASP A 52 1.761 3.648 14.808 1.00 0.00 O ATOM 0 H ASP A 52 3.516 -0.322 12.004 1.00 0.00 H new ATOM 0 HA ASP A 52 4.606 1.218 14.241 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.605 2.856 12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.056 2.082 12.883 1.00 0.00 H new ATOM 778 N ASN A 53 1.645 -0.177 13.890 1.00 0.00 N ATOM 779 CA ASN A 53 0.702 -1.107 14.480 1.00 0.00 C ATOM 780 C ASN A 53 -0.430 -1.310 13.495 1.00 0.00 C ATOM 781 O ASN A 53 -0.603 -0.494 12.581 1.00 0.00 O ATOM 782 CB ASN A 53 0.166 -0.584 15.833 1.00 0.00 C ATOM 783 CG ASN A 53 -0.725 -1.583 16.553 1.00 0.00 C ATOM 784 OD1 ASN A 53 -1.939 -1.598 16.366 1.00 0.00 O ATOM 785 ND2 ASN A 53 -0.137 -2.441 17.348 1.00 0.00 N ATOM 0 H ASN A 53 1.301 0.289 13.050 1.00 0.00 H new ATOM 0 HA ASN A 53 1.200 -2.055 14.685 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.009 -0.330 16.476 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.394 0.336 15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.689 -3.148 17.833 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.873 -2.402 17.482 1.00 0.00 H new ATOM 792 N THR A 54 -1.140 -2.402 13.635 1.00 0.00 N ATOM 793 CA THR A 54 -2.260 -2.740 12.792 1.00 0.00 C ATOM 794 C THR A 54 -3.404 -1.748 12.978 1.00 0.00 C ATOM 795 O THR A 54 -3.924 -1.197 12.027 1.00 0.00 O ATOM 796 CB THR A 54 -2.774 -4.125 13.194 1.00 0.00 C ATOM 797 OG1 THR A 54 -1.660 -5.020 13.329 1.00 0.00 O ATOM 798 CG2 THR A 54 -3.742 -4.669 12.156 1.00 0.00 C ATOM 0 H THR A 54 -0.950 -3.098 14.356 1.00 0.00 H new ATOM 0 HA THR A 54 -1.929 -2.719 11.754 1.00 0.00 H new ATOM 0 HB THR A 54 -3.303 -4.039 14.143 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.983 -5.908 13.588 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.092 -5.654 12.466 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.593 -3.994 12.063 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.236 -4.750 11.194 1.00 0.00 H new ATOM 806 N ALA A 55 -3.733 -1.493 14.215 1.00 0.00 N ATOM 807 CA ALA A 55 -4.897 -0.716 14.543 1.00 0.00 C ATOM 808 C ALA A 55 -4.568 0.748 14.724 1.00 0.00 C ATOM 809 O ALA A 55 -5.474 1.579 14.838 1.00 0.00 O ATOM 810 CB ALA A 55 -5.553 -1.276 15.800 1.00 0.00 C ATOM 0 H ALA A 55 -3.202 -1.818 15.023 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.594 -0.787 13.708 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.435 -0.684 16.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.848 -2.311 15.626 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.846 -1.234 16.629 1.00 0.00 H new ATOM 816 N GLY A 56 -3.300 1.090 14.724 1.00 0.00 N ATOM 817 CA GLY A 56 -2.958 2.449 14.955 1.00 0.00 C ATOM 818 C GLY A 56 -1.739 2.800 14.227 1.00 0.00 C ATOM 819 O GLY A 56 -0.694 2.227 14.456 1.00 0.00 O ATOM 0 H GLY A 56 -2.516 0.455 14.570 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.777 3.095 14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.813 2.618 16.022 1.00 0.00 H new ATOM 823 N CYS A 57 -1.891 3.587 13.243 1.00 0.00 N ATOM 824 CA CYS A 57 -0.797 4.084 12.541 1.00 0.00 C ATOM 825 C CYS A 57 -0.451 5.531 12.925 1.00 0.00 C ATOM 826 O CYS A 57 -0.968 6.490 12.342 1.00 0.00 O ATOM 827 CB CYS A 57 -0.998 3.855 11.062 1.00 0.00 C ATOM 828 SG CYS A 57 -2.559 4.480 10.326 1.00 0.00 S ATOM 0 H CYS A 57 -2.797 3.907 12.900 1.00 0.00 H new ATOM 0 HA CYS A 57 0.095 3.528 12.830 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.165 4.316 10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.941 2.783 10.874 1.00 0.00 H new ATOM 833 N THR A 58 0.352 5.682 13.937 1.00 0.00 N ATOM 834 CA THR A 58 0.858 6.967 14.348 1.00 0.00 C ATOM 835 C THR A 58 2.062 7.327 13.479 1.00 0.00 C ATOM 836 O THR A 58 2.147 8.399 12.861 1.00 0.00 O ATOM 837 CB THR A 58 1.270 6.937 15.837 1.00 0.00 C ATOM 838 OG1 THR A 58 0.181 6.404 16.631 1.00 0.00 O ATOM 839 CG2 THR A 58 1.605 8.340 16.331 1.00 0.00 C ATOM 0 H THR A 58 0.681 4.906 14.512 1.00 0.00 H new ATOM 0 HA THR A 58 0.077 7.717 14.226 1.00 0.00 H new ATOM 0 HB THR A 58 2.152 6.305 15.938 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.444 6.384 17.575 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.893 8.297 17.382 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.430 8.745 15.745 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.732 8.983 16.220 1.00 0.00 H new ATOM 847 N SER A 59 2.962 6.364 13.403 1.00 0.00 N ATOM 848 CA SER A 59 4.238 6.488 12.728 1.00 0.00 C ATOM 849 C SER A 59 4.108 6.512 11.208 1.00 0.00 C ATOM 850 O SER A 59 5.071 6.746 10.515 1.00 0.00 O ATOM 851 CB SER A 59 5.165 5.373 13.181 1.00 0.00 C ATOM 852 OG SER A 59 5.219 5.325 14.604 1.00 0.00 O ATOM 0 H SER A 59 2.819 5.446 13.823 1.00 0.00 H new ATOM 0 HA SER A 59 4.664 7.452 13.006 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.814 4.418 12.791 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.164 5.535 12.777 1.00 0.00 H new ATOM 0 HG SER A 59 5.047 4.409 14.907 1.00 0.00 H new ATOM 858 N ALA A 60 2.907 6.252 10.732 1.00 0.00 N ATOM 859 CA ALA A 60 2.564 6.224 9.325 1.00 0.00 C ATOM 860 C ALA A 60 2.420 7.606 8.776 1.00 0.00 C ATOM 861 O ALA A 60 2.247 7.800 7.561 1.00 0.00 O ATOM 862 CB ALA A 60 1.324 5.423 9.084 1.00 0.00 C ATOM 0 H ALA A 60 2.113 6.047 11.338 1.00 0.00 H new ATOM 0 HA ALA A 60 3.384 5.737 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.093 5.421 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.481 4.399 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.493 5.864 9.635 1.00 0.00 H new ATOM 868 N GLY A 61 2.471 8.595 9.645 1.00 0.00 N ATOM 869 CA GLY A 61 2.409 9.908 9.147 1.00 0.00 C ATOM 870 C GLY A 61 3.756 10.677 9.085 1.00 0.00 C ATOM 871 O GLY A 61 3.811 11.802 9.578 1.00 0.00 O ATOM 0 H GLY A 61 2.552 8.499 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.986 9.875 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.716 10.478 9.766 1.00 0.00 H new ATOM 875 N PRO A 62 4.882 10.138 8.462 1.00 0.00 N ATOM 876 CA PRO A 62 6.005 10.965 8.109 1.00 0.00 C ATOM 877 C PRO A 62 5.761 11.465 6.703 1.00 0.00 C ATOM 878 O PRO A 62 6.508 12.291 6.179 1.00 0.00 O ATOM 879 CB PRO A 62 7.227 10.025 8.143 1.00 0.00 C ATOM 880 CG PRO A 62 6.689 8.672 8.449 1.00 0.00 C ATOM 881 CD PRO A 62 5.216 8.732 8.191 1.00 0.00 C ATOM 0 HA PRO A 62 6.154 11.818 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.751 10.030 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.943 10.342 8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.162 7.916 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.891 8.400 9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.976 8.452 7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.665 8.055 8.844 1.00 0.00 H new ATOM 889 N HIS A 63 4.693 10.926 6.109 1.00 0.00 N ATOM 890 CA HIS A 63 4.191 11.317 4.805 1.00 0.00 C ATOM 891 C HIS A 63 5.118 10.820 3.673 1.00 0.00 C ATOM 892 O HIS A 63 4.699 10.026 2.831 1.00 0.00 O ATOM 893 CB HIS A 63 3.920 12.855 4.757 1.00 0.00 C ATOM 894 CG HIS A 63 2.983 13.330 5.856 1.00 0.00 C ATOM 895 ND1 HIS A 63 1.750 12.896 6.228 1.00 0.00 N flip ATOM 896 CD2 HIS A 63 3.301 14.334 6.742 1.00 0.00 C flip ATOM 897 CE1 HIS A 63 1.365 13.633 7.316 1.00 0.00 C flip ATOM 898 NE2 HIS A 63 2.317 14.492 7.602 1.00 0.00 N flip ATOM 0 H HIS A 63 4.143 10.184 6.542 1.00 0.00 H new ATOM 0 HA HIS A 63 3.231 10.828 4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.867 13.388 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.493 13.113 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.218 14.905 6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.433 13.526 7.851 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.297 15.169 8.364 1.00 0.00 H new ATOM 907 N PHE A 64 6.363 11.211 3.705 1.00 0.00 N ATOM 908 CA PHE A 64 7.317 10.830 2.690 1.00 0.00 C ATOM 909 C PHE A 64 8.384 9.904 3.265 1.00 0.00 C ATOM 910 O PHE A 64 9.108 10.282 4.186 1.00 0.00 O ATOM 911 CB PHE A 64 7.975 12.091 2.091 1.00 0.00 C ATOM 912 CG PHE A 64 9.014 11.828 1.029 1.00 0.00 C ATOM 913 CD1 PHE A 64 8.641 11.386 -0.226 1.00 0.00 C ATOM 914 CD2 PHE A 64 10.366 12.020 1.292 1.00 0.00 C ATOM 915 CE1 PHE A 64 9.588 11.140 -1.202 1.00 0.00 C ATOM 916 CE2 PHE A 64 11.319 11.775 0.322 1.00 0.00 C ATOM 917 CZ PHE A 64 10.929 11.336 -0.927 1.00 0.00 C ATOM 0 H PHE A 64 6.750 11.806 4.438 1.00 0.00 H new ATOM 0 HA PHE A 64 6.788 10.291 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.195 12.722 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.438 12.658 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.595 11.231 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.675 12.365 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.281 10.795 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.366 11.927 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.670 11.146 -1.689 1.00 0.00 H new ATOM 927 N ASN A 65 8.441 8.673 2.773 1.00 0.00 N ATOM 928 CA ASN A 65 9.537 7.779 3.121 1.00 0.00 C ATOM 929 C ASN A 65 10.782 8.176 2.319 1.00 0.00 C ATOM 930 O ASN A 65 10.668 8.566 1.164 1.00 0.00 O ATOM 931 CB ASN A 65 9.167 6.311 2.883 1.00 0.00 C ATOM 932 CG ASN A 65 8.525 5.618 4.085 1.00 0.00 C ATOM 933 OD1 ASN A 65 8.690 4.409 4.255 1.00 0.00 O ATOM 934 ND2 ASN A 65 7.809 6.353 4.914 1.00 0.00 N ATOM 0 H ASN A 65 7.749 8.274 2.139 1.00 0.00 H new ATOM 0 HA ASN A 65 9.748 7.878 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.481 6.254 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.066 5.763 2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.370 5.923 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.694 7.352 4.741 1.00 0.00 H new ATOM 941 N PRO A 66 11.982 8.056 2.909 1.00 0.00 N ATOM 942 CA PRO A 66 13.225 8.593 2.317 1.00 0.00 C ATOM 943 C PRO A 66 13.685 7.990 0.962 1.00 0.00 C ATOM 944 O PRO A 66 13.892 8.728 0.008 1.00 0.00 O ATOM 945 CB PRO A 66 14.276 8.349 3.407 1.00 0.00 C ATOM 946 CG PRO A 66 13.720 7.236 4.234 1.00 0.00 C ATOM 947 CD PRO A 66 12.234 7.424 4.226 1.00 0.00 C ATOM 0 HA PRO A 66 13.064 9.636 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.239 8.077 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.438 9.244 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.994 6.266 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.113 7.270 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.707 6.475 4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.904 8.059 5.048 1.00 0.00 H new ATOM 955 N LEU A 67 13.831 6.679 0.890 1.00 0.00 N ATOM 956 CA LEU A 67 14.393 6.126 -0.303 1.00 0.00 C ATOM 957 C LEU A 67 13.374 5.959 -1.381 1.00 0.00 C ATOM 958 O LEU A 67 13.663 5.442 -2.427 1.00 0.00 O ATOM 959 CB LEU A 67 15.241 4.868 -0.068 1.00 0.00 C ATOM 960 CG LEU A 67 16.686 5.067 0.453 1.00 0.00 C ATOM 961 CD1 LEU A 67 17.498 5.923 -0.509 1.00 0.00 C ATOM 962 CD2 LEU A 67 16.716 5.660 1.855 1.00 0.00 C ATOM 0 H LEU A 67 13.577 6.010 1.617 1.00 0.00 H new ATOM 0 HA LEU A 67 15.106 6.868 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.712 4.233 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 67 15.295 4.318 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 67 17.142 4.079 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.509 6.048 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.541 5.435 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.026 6.900 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 67 17.750 5.781 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 67 16.222 6.631 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 16.197 4.993 2.543 1.00 0.00 H new ATOM 974 N SER A 68 12.176 6.495 -1.149 1.00 0.00 N ATOM 975 CA SER A 68 11.107 6.555 -2.141 1.00 0.00 C ATOM 976 C SER A 68 11.420 7.584 -3.224 1.00 0.00 C ATOM 977 O SER A 68 10.549 8.260 -3.767 1.00 0.00 O ATOM 978 CB SER A 68 9.808 6.867 -1.449 1.00 0.00 C ATOM 979 OG SER A 68 9.508 5.836 -0.552 1.00 0.00 O ATOM 0 H SER A 68 11.919 6.906 -0.252 1.00 0.00 H new ATOM 0 HA SER A 68 11.022 5.588 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.883 7.817 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.008 6.973 -2.181 1.00 0.00 H new ATOM 0 HG SER A 68 9.711 4.972 -0.967 1.00 0.00 H new ATOM 985 N ARG A 69 12.655 7.606 -3.580 1.00 0.00 N ATOM 986 CA ARG A 69 13.185 8.446 -4.546 1.00 0.00 C ATOM 987 C ARG A 69 13.328 7.658 -5.801 1.00 0.00 C ATOM 988 O ARG A 69 13.816 8.133 -6.784 1.00 0.00 O ATOM 989 CB ARG A 69 14.509 9.048 -4.089 1.00 0.00 C ATOM 990 CG ARG A 69 14.356 9.979 -2.900 1.00 0.00 C ATOM 991 CD ARG A 69 15.664 10.646 -2.525 1.00 0.00 C ATOM 992 NE ARG A 69 15.480 11.611 -1.430 1.00 0.00 N ATOM 993 CZ ARG A 69 15.571 12.951 -1.560 1.00 0.00 C ATOM 994 NH1 ARG A 69 15.968 13.497 -2.712 1.00 0.00 N ATOM 995 NH2 ARG A 69 15.305 13.738 -0.532 1.00 0.00 N ATOM 0 H ARG A 69 13.353 6.989 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 69 12.520 9.292 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.197 8.244 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.958 9.596 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.614 10.743 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.979 9.416 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.388 9.888 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.077 11.156 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 69 15.268 11.240 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.206 12.900 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.033 14.511 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.030 13.333 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.375 14.751 -0.633 1.00 0.00 H new ATOM 1009 N LYS A 70 12.888 6.425 -5.777 1.00 0.00 N ATOM 1010 CA LYS A 70 12.796 5.689 -7.020 1.00 0.00 C ATOM 1011 C LYS A 70 11.368 5.489 -7.413 1.00 0.00 C ATOM 1012 O LYS A 70 11.023 4.530 -8.104 1.00 0.00 O ATOM 1013 CB LYS A 70 13.587 4.381 -7.098 1.00 0.00 C ATOM 1014 CG LYS A 70 15.049 4.576 -7.464 1.00 0.00 C ATOM 1015 CD LYS A 70 15.726 3.262 -7.825 1.00 0.00 C ATOM 1016 CE LYS A 70 17.176 3.474 -8.261 1.00 0.00 C ATOM 1017 NZ LYS A 70 18.020 4.017 -7.172 1.00 0.00 N ATOM 0 H LYS A 70 12.595 5.919 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 70 13.296 6.329 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.527 3.872 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.121 3.727 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.123 5.265 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.574 5.036 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.699 2.591 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.172 2.776 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.592 2.526 -8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.201 4.156 -9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.022 3.846 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.855 5.040 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.777 3.547 -6.277 1.00 0.00 H new ATOM 1031 N HIS A 71 10.565 6.446 -7.010 1.00 0.00 N ATOM 1032 CA HIS A 71 9.163 6.512 -7.311 1.00 0.00 C ATOM 1033 C HIS A 71 8.356 5.463 -6.585 1.00 0.00 C ATOM 1034 O HIS A 71 8.170 4.349 -7.085 1.00 0.00 O ATOM 1035 CB HIS A 71 8.865 6.542 -8.841 1.00 0.00 C ATOM 1036 CG HIS A 71 7.401 6.624 -9.173 1.00 0.00 C ATOM 1037 ND1 HIS A 71 6.684 7.791 -9.126 1.00 0.00 N ATOM 1038 CD2 HIS A 71 6.514 5.659 -9.496 1.00 0.00 C ATOM 1039 CE1 HIS A 71 5.426 7.541 -9.397 1.00 0.00 C ATOM 1040 NE2 HIS A 71 5.299 6.259 -9.623 1.00 0.00 N ATOM 0 H HIS A 71 10.888 7.229 -6.441 1.00 0.00 H new ATOM 0 HA HIS A 71 8.828 7.474 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.377 7.396 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.283 5.646 -9.301 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.728 4.609 -9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.630 8.270 -9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.427 5.784 -9.857 1.00 0.00 H new ATOM 1049 N GLY A 72 7.966 5.813 -5.360 1.00 0.00 N ATOM 1050 CA GLY A 72 6.998 5.058 -4.587 1.00 0.00 C ATOM 1051 C GLY A 72 5.711 4.827 -5.338 1.00 0.00 C ATOM 1052 O GLY A 72 4.750 5.584 -5.202 1.00 0.00 O ATOM 0 H GLY A 72 8.321 6.638 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.430 4.097 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.783 5.590 -3.660 1.00 0.00 H new ATOM 1056 N GLY A 73 5.743 3.828 -6.139 1.00 0.00 N ATOM 1057 CA GLY A 73 4.657 3.412 -6.921 1.00 0.00 C ATOM 1058 C GLY A 73 4.626 1.911 -6.972 1.00 0.00 C ATOM 1059 O GLY A 73 5.163 1.267 -6.094 1.00 0.00 O ATOM 0 H GLY A 73 6.575 3.253 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.726 3.792 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.743 3.820 -7.928 1.00 0.00 H new ATOM 1063 N PRO A 74 4.113 1.331 -8.032 1.00 0.00 N ATOM 1064 CA PRO A 74 3.834 -0.098 -8.072 1.00 0.00 C ATOM 1065 C PRO A 74 5.004 -1.054 -8.389 1.00 0.00 C ATOM 1066 O PRO A 74 5.158 -2.082 -7.741 1.00 0.00 O ATOM 1067 CB PRO A 74 2.786 -0.186 -9.188 1.00 0.00 C ATOM 1068 CG PRO A 74 3.116 0.932 -10.121 1.00 0.00 C ATOM 1069 CD PRO A 74 3.729 2.020 -9.281 1.00 0.00 C ATOM 0 HA PRO A 74 3.542 -0.433 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.831 -1.149 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.777 -0.082 -8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.810 0.601 -10.894 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.221 1.291 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.593 2.466 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.020 2.826 -9.091 1.00 0.00 H new ATOM 1077 N LYS A 75 5.845 -0.705 -9.324 1.00 0.00 N ATOM 1078 CA LYS A 75 6.721 -1.711 -9.924 1.00 0.00 C ATOM 1079 C LYS A 75 8.112 -1.854 -9.311 1.00 0.00 C ATOM 1080 O LYS A 75 8.675 -2.952 -9.337 1.00 0.00 O ATOM 1081 CB LYS A 75 6.846 -1.466 -11.434 1.00 0.00 C ATOM 1082 CG LYS A 75 7.410 -0.098 -11.790 1.00 0.00 C ATOM 1083 CD LYS A 75 7.619 0.062 -13.282 1.00 0.00 C ATOM 1084 CE LYS A 75 8.203 1.426 -13.599 1.00 0.00 C ATOM 1085 NZ LYS A 75 8.498 1.589 -15.036 1.00 0.00 N ATOM 0 H LYS A 75 5.952 0.241 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 75 6.226 -2.658 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.486 -2.236 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.863 -1.574 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.731 0.677 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.359 0.048 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.287 -0.719 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.669 -0.062 -13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.504 2.200 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.118 1.570 -13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.895 2.536 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.186 0.868 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.622 1.479 -15.585 1.00 0.00 H new ATOM 1099 N ASP A 76 8.627 -0.823 -8.711 1.00 0.00 N ATOM 1100 CA ASP A 76 10.011 -0.794 -8.302 1.00 0.00 C ATOM 1101 C ASP A 76 10.166 0.426 -7.488 1.00 0.00 C ATOM 1102 O ASP A 76 9.531 1.424 -7.798 1.00 0.00 O ATOM 1103 CB ASP A 76 10.923 -0.704 -9.551 1.00 0.00 C ATOM 1104 CG ASP A 76 12.408 -0.625 -9.243 1.00 0.00 C ATOM 1105 OD1 ASP A 76 12.919 0.485 -8.943 1.00 0.00 O ATOM 1106 OD2 ASP A 76 13.106 -1.649 -9.340 1.00 0.00 O ATOM 0 H ASP A 76 8.105 0.025 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 76 10.285 -1.690 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.741 -1.575 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.638 0.174 -10.131 1.00 0.00 H new ATOM 1111 N GLU A 77 10.952 0.375 -6.467 1.00 0.00 N ATOM 1112 CA GLU A 77 11.076 1.489 -5.593 1.00 0.00 C ATOM 1113 C GLU A 77 12.380 1.322 -4.836 1.00 0.00 C ATOM 1114 O GLU A 77 12.816 0.194 -4.627 1.00 0.00 O ATOM 1115 CB GLU A 77 9.878 1.466 -4.639 1.00 0.00 C ATOM 1116 CG GLU A 77 9.349 2.809 -4.238 1.00 0.00 C ATOM 1117 CD GLU A 77 10.328 3.646 -3.507 1.00 0.00 C ATOM 1118 OE1 GLU A 77 11.128 4.363 -4.157 1.00 0.00 O ATOM 1119 OE2 GLU A 77 10.342 3.586 -2.266 1.00 0.00 O ATOM 0 H GLU A 77 11.522 -0.433 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 77 11.086 2.441 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.072 0.903 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.163 0.923 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.025 3.343 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.467 2.669 -3.613 1.00 0.00 H new ATOM 1126 N GLU A 78 12.989 2.419 -4.442 1.00 0.00 N ATOM 1127 CA GLU A 78 14.278 2.382 -3.717 1.00 0.00 C ATOM 1128 C GLU A 78 14.076 2.314 -2.177 1.00 0.00 C ATOM 1129 O GLU A 78 14.977 1.964 -1.450 1.00 0.00 O ATOM 1130 CB GLU A 78 15.179 3.566 -4.122 1.00 0.00 C ATOM 1131 CG GLU A 78 16.601 3.558 -3.563 1.00 0.00 C ATOM 1132 CD GLU A 78 17.395 2.362 -4.014 1.00 0.00 C ATOM 1133 OE1 GLU A 78 17.672 2.241 -5.222 1.00 0.00 O ATOM 1134 OE2 GLU A 78 17.743 1.509 -3.189 1.00 0.00 O ATOM 0 H GLU A 78 12.626 3.358 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 78 14.789 1.464 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.239 3.593 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.693 4.489 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.114 4.468 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.559 3.572 -2.474 1.00 0.00 H new ATOM 1141 N ARG A 79 12.911 2.677 -1.675 1.00 0.00 N ATOM 1142 CA ARG A 79 12.641 2.458 -0.243 1.00 0.00 C ATOM 1143 C ARG A 79 11.791 1.224 -0.211 1.00 0.00 C ATOM 1144 O ARG A 79 11.462 0.690 0.837 1.00 0.00 O ATOM 1145 CB ARG A 79 11.890 3.659 0.361 1.00 0.00 C ATOM 1146 CG ARG A 79 12.063 3.967 1.870 1.00 0.00 C ATOM 1147 CD ARG A 79 11.496 2.924 2.814 1.00 0.00 C ATOM 1148 NE ARG A 79 11.336 3.445 4.194 1.00 0.00 N ATOM 1149 CZ ARG A 79 12.252 3.406 5.194 1.00 0.00 C ATOM 1150 NH1 ARG A 79 13.498 2.990 4.969 1.00 0.00 N ATOM 1151 NH2 ARG A 79 11.919 3.831 6.402 1.00 0.00 N ATOM 0 H ARG A 79 12.154 3.110 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 79 13.554 2.348 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.190 4.548 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.826 3.511 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.126 4.084 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.588 4.924 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.529 2.586 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.153 2.055 2.830 1.00 0.00 H new ATOM 0 HE ARG A 79 10.440 3.880 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.776 2.694 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.174 2.967 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.979 4.185 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.603 3.804 7.158 1.00 0.00 H new ATOM 1165 N HIS A 80 11.400 0.819 -1.430 1.00 0.00 N ATOM 1166 CA HIS A 80 10.645 -0.386 -1.713 1.00 0.00 C ATOM 1167 C HIS A 80 9.183 -0.209 -1.342 1.00 0.00 C ATOM 1168 O HIS A 80 8.364 -1.092 -1.582 1.00 0.00 O ATOM 1169 CB HIS A 80 11.234 -1.641 -1.014 1.00 0.00 C ATOM 1170 CG HIS A 80 12.587 -2.109 -1.455 1.00 0.00 C ATOM 1171 ND1 HIS A 80 13.197 -2.088 -2.656 1.00 0.00 N flip ATOM 1172 CD2 HIS A 80 13.443 -2.775 -0.616 1.00 0.00 C flip ATOM 1173 CE1 HIS A 80 14.393 -2.738 -2.515 1.00 0.00 C flip ATOM 1174 NE2 HIS A 80 14.511 -3.139 -1.272 1.00 0.00 N flip ATOM 0 H HIS A 80 11.616 1.353 -2.272 1.00 0.00 H new ATOM 0 HA HIS A 80 10.721 -0.554 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.281 -1.439 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.532 -2.463 -1.153 1.00 0.00 H new ATOM 0 HD1 HIS A 80 12.835 -1.666 -3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.261 -2.969 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.120 -2.895 -3.298 1.00 0.00 H new ATOM 1218 N LEU A 84 1.145 -2.606 -5.155 1.00 0.00 N ATOM 1219 CA LEU A 84 0.473 -2.566 -6.392 1.00 0.00 C ATOM 1220 C LEU A 84 -0.871 -3.180 -6.329 1.00 0.00 C ATOM 1221 O LEU A 84 -1.063 -4.375 -6.507 1.00 0.00 O ATOM 1222 CB LEU A 84 1.292 -2.910 -7.665 1.00 0.00 C ATOM 1223 CG LEU A 84 2.203 -4.144 -7.727 1.00 0.00 C ATOM 1224 CD1 LEU A 84 1.456 -5.452 -7.571 1.00 0.00 C ATOM 1225 CD2 LEU A 84 2.915 -4.123 -9.048 1.00 0.00 C ATOM 0 HA LEU A 84 0.319 -1.499 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.579 -3.002 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.917 -2.044 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 84 2.899 -4.092 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.161 -6.282 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.949 -5.468 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.720 -5.548 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.571 -4.990 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.184 -4.152 -9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.507 -3.212 -9.128 1.00 0.00 H new ATOM 1237 N GLY A 85 -1.790 -2.367 -6.007 1.00 0.00 N ATOM 1238 CA GLY A 85 -3.113 -2.786 -5.959 1.00 0.00 C ATOM 1239 C GLY A 85 -4.009 -1.646 -6.175 1.00 0.00 C ATOM 1240 O GLY A 85 -4.407 -0.983 -5.223 1.00 0.00 O ATOM 0 H GLY A 85 -1.639 -1.387 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.290 -3.547 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.323 -3.246 -4.993 1.00 0.00 H new ATOM 1244 N ASN A 86 -4.306 -1.353 -7.420 1.00 0.00 N ATOM 1245 CA ASN A 86 -5.296 -0.310 -7.659 1.00 0.00 C ATOM 1246 C ASN A 86 -6.620 -0.904 -7.291 1.00 0.00 C ATOM 1247 O ASN A 86 -6.954 -2.000 -7.755 1.00 0.00 O ATOM 1248 CB ASN A 86 -5.314 0.141 -9.126 1.00 0.00 C ATOM 1249 CG ASN A 86 -6.439 1.121 -9.436 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -6.832 1.920 -8.604 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -6.988 1.024 -10.624 1.00 0.00 N ATOM 0 H ASN A 86 -3.905 -1.791 -8.249 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.061 0.575 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.358 0.605 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.415 -0.734 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.770 1.629 -10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.633 0.344 -11.296 1.00 0.00 H new ATOM 1258 N VAL A 87 -7.354 -0.211 -6.457 1.00 0.00 N ATOM 1259 CA VAL A 87 -8.617 -0.702 -5.955 1.00 0.00 C ATOM 1260 C VAL A 87 -9.624 0.439 -5.819 1.00 0.00 C ATOM 1261 O VAL A 87 -9.352 1.451 -5.168 1.00 0.00 O ATOM 1262 CB VAL A 87 -8.453 -1.465 -4.583 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.822 -2.841 -4.765 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -7.614 -0.660 -3.615 1.00 0.00 C ATOM 0 H VAL A 87 -7.094 0.711 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.996 -1.420 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.456 -1.596 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.728 -3.330 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.451 -3.447 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.834 -2.732 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.515 -1.207 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.626 -0.492 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.096 0.299 -3.427 1.00 0.00 H new ATOM 1274 N THR A 88 -10.766 0.218 -6.415 1.00 0.00 N ATOM 1275 CA THR A 88 -11.889 1.105 -6.539 1.00 0.00 C ATOM 1276 C THR A 88 -13.019 0.764 -5.517 1.00 0.00 C ATOM 1277 O THR A 88 -13.768 -0.150 -5.754 1.00 0.00 O ATOM 1278 CB THR A 88 -12.440 0.814 -7.964 1.00 0.00 C ATOM 1279 OG1 THR A 88 -12.411 -0.624 -8.186 1.00 0.00 O ATOM 1280 CG2 THR A 88 -11.650 1.476 -9.067 1.00 0.00 C ATOM 0 H THR A 88 -10.949 -0.676 -6.870 1.00 0.00 H new ATOM 0 HA THR A 88 -11.590 2.138 -6.362 1.00 0.00 H new ATOM 0 HB THR A 88 -13.450 1.222 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.757 -0.824 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.093 1.228 -10.031 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.666 2.557 -8.928 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.619 1.122 -9.039 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.167 1.480 -4.412 1.00 0.00 N ATOM 1289 CA ALA A 89 -14.207 1.114 -3.476 1.00 0.00 C ATOM 1290 C ALA A 89 -15.157 2.231 -3.338 1.00 0.00 C ATOM 1291 O ALA A 89 -14.858 3.257 -2.757 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.636 0.718 -2.126 1.00 0.00 C ATOM 0 H ALA A 89 -12.601 2.288 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.730 0.241 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.449 0.450 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.970 -0.136 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.078 1.555 -1.707 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.296 2.027 -3.880 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.344 2.997 -3.829 1.00 0.00 C ATOM 1300 C ASP A 90 -18.206 2.723 -2.577 1.00 0.00 C ATOM 1301 O ASP A 90 -17.786 1.986 -1.735 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.123 2.971 -5.166 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.232 3.995 -5.251 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -18.952 5.204 -5.226 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -20.407 3.607 -5.300 1.00 0.00 O ATOM 0 H ASP A 90 -16.540 1.173 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.962 4.013 -3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.424 3.139 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.548 1.977 -5.308 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.388 3.309 -2.492 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.333 3.256 -1.315 1.00 0.00 C ATOM 1312 C LYS A 91 -20.498 1.882 -0.658 1.00 0.00 C ATOM 1313 O LYS A 91 -20.742 1.797 0.549 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.737 3.779 -1.720 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.370 3.019 -2.879 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.731 3.557 -3.277 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.779 3.333 -2.205 1.00 0.00 C ATOM 1318 NZ LYS A 91 -26.102 3.830 -2.622 1.00 0.00 N ATOM 0 H LYS A 91 -19.762 3.868 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.861 3.896 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.399 3.720 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.657 4.832 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.704 3.063 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.468 1.969 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.650 4.624 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.052 3.076 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.845 2.269 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.474 3.836 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.792 3.659 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.045 4.850 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.404 3.332 -3.483 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.402 0.842 -1.418 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.588 -0.490 -0.865 1.00 0.00 C ATOM 1334 C ASP A 92 -19.242 -1.004 -0.433 1.00 0.00 C ATOM 1335 O ASP A 92 -19.071 -1.616 0.639 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.190 -1.441 -1.907 1.00 0.00 C ATOM 1337 CG ASP A 92 -21.692 -2.740 -1.296 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -20.883 -3.636 -0.971 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -22.922 -2.889 -1.134 1.00 0.00 O ATOM 0 H ASP A 92 -20.198 0.870 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.276 -0.440 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -22.014 -0.941 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -20.439 -1.667 -2.664 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.275 -0.668 -1.212 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.994 -1.133 -0.971 1.00 0.00 C ATOM 1346 C GLY A 93 -16.742 -2.396 -1.691 1.00 0.00 C ATOM 1347 O GLY A 93 -16.825 -3.485 -1.113 1.00 0.00 O ATOM 0 H GLY A 93 -18.370 -0.063 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.267 -0.383 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.855 -1.287 0.099 1.00 0.00 H new ATOM 1351 N VAL A 94 -16.471 -2.283 -2.951 1.00 0.00 N ATOM 1352 CA VAL A 94 -16.147 -3.423 -3.725 1.00 0.00 C ATOM 1353 C VAL A 94 -15.106 -2.955 -4.652 1.00 0.00 C ATOM 1354 O VAL A 94 -15.409 -2.283 -5.629 1.00 0.00 O ATOM 1355 CB VAL A 94 -17.354 -3.962 -4.580 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -16.951 -5.211 -5.343 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -18.587 -4.249 -3.734 1.00 0.00 C ATOM 0 H VAL A 94 -16.469 -1.401 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.846 -4.240 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.617 -3.172 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.798 -5.569 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.121 -4.978 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.644 -5.984 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.389 -4.618 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.346 -5.002 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.910 -3.333 -3.239 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.905 -3.261 -4.348 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.830 -2.875 -5.164 1.00 0.00 C ATOM 1369 C ALA A 95 -12.359 -3.982 -6.030 1.00 0.00 C ATOM 1370 O ALA A 95 -12.302 -5.146 -5.610 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.709 -2.372 -4.327 1.00 0.00 C ATOM 0 H ALA A 95 -13.640 -3.791 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.187 -2.078 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.880 -2.075 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.045 -1.512 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.379 -3.160 -3.649 1.00 0.00 H new ATOM 1377 N ASP A 96 -12.034 -3.635 -7.231 1.00 0.00 N ATOM 1378 CA ASP A 96 -11.468 -4.566 -8.148 1.00 0.00 C ATOM 1379 C ASP A 96 -9.997 -4.416 -8.052 1.00 0.00 C ATOM 1380 O ASP A 96 -9.490 -3.300 -8.110 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.923 -4.301 -9.574 1.00 0.00 C ATOM 1382 CG ASP A 96 -13.401 -4.462 -9.750 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -13.872 -5.607 -9.875 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -14.131 -3.443 -9.760 1.00 0.00 O ATOM 0 H ASP A 96 -12.154 -2.694 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.790 -5.577 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.636 -3.289 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.405 -4.983 -10.249 1.00 0.00 H new ATOM 1389 N VAL A 97 -9.320 -5.501 -7.886 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.888 -5.476 -7.723 1.00 0.00 C ATOM 1391 C VAL A 97 -7.190 -5.395 -9.043 1.00 0.00 C ATOM 1392 O VAL A 97 -7.394 -6.241 -9.927 1.00 0.00 O ATOM 1393 CB VAL A 97 -7.348 -6.778 -7.139 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.102 -6.519 -6.306 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -8.413 -7.611 -6.438 1.00 0.00 C ATOM 0 H VAL A 97 -9.733 -6.433 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.706 -4.617 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.037 -7.411 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.734 -7.461 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.332 -6.069 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.346 -5.841 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.962 -8.523 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.842 -7.037 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.198 -7.871 -7.148 1.00 0.00 H new ATOM 1405 N SER A 98 -6.382 -4.417 -9.190 1.00 0.00 N ATOM 1406 CA SER A 98 -5.507 -4.391 -10.282 1.00 0.00 C ATOM 1407 C SER A 98 -4.233 -5.147 -9.902 1.00 0.00 C ATOM 1408 O SER A 98 -3.442 -4.696 -9.081 1.00 0.00 O ATOM 1409 CB SER A 98 -5.205 -2.970 -10.700 1.00 0.00 C ATOM 1410 OG SER A 98 -6.413 -2.279 -11.027 1.00 0.00 O ATOM 0 H SER A 98 -6.312 -3.619 -8.558 1.00 0.00 H new ATOM 0 HA SER A 98 -5.972 -4.878 -11.139 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.688 -2.449 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.535 -2.972 -11.560 1.00 0.00 H new ATOM 0 HG SER A 98 -6.227 -1.599 -11.708 1.00 0.00 H new ATOM 1416 N ILE A 99 -4.083 -6.294 -10.494 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.919 -7.145 -10.326 1.00 0.00 C ATOM 1418 C ILE A 99 -1.903 -6.786 -11.388 1.00 0.00 C ATOM 1419 O ILE A 99 -2.192 -6.786 -12.604 1.00 0.00 O ATOM 1420 CB ILE A 99 -3.344 -8.655 -10.460 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -2.136 -9.597 -10.564 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -4.330 -8.879 -11.624 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.503 -11.062 -10.724 1.00 0.00 C ATOM 0 H ILE A 99 -4.781 -6.684 -11.127 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.481 -6.997 -9.339 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.866 -8.906 -9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.524 -9.292 -11.413 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.522 -9.483 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.595 -9.935 -11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.230 -8.287 -11.458 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.863 -8.574 -12.560 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.594 -11.660 -10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.089 -11.386 -9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.090 -11.193 -11.633 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.736 -6.437 -10.925 1.00 0.00 N ATOM 1436 CA GLU A 100 0.277 -5.905 -11.757 1.00 0.00 C ATOM 1437 C GLU A 100 1.655 -6.480 -11.390 1.00 0.00 C ATOM 1438 O GLU A 100 1.858 -7.005 -10.310 1.00 0.00 O ATOM 1439 CB GLU A 100 0.230 -4.354 -11.723 1.00 0.00 C ATOM 1440 CG GLU A 100 1.131 -3.665 -12.743 1.00 0.00 C ATOM 1441 CD GLU A 100 0.818 -4.118 -14.151 1.00 0.00 C ATOM 1442 OE1 GLU A 100 1.274 -5.214 -14.552 1.00 0.00 O ATOM 1443 OE2 GLU A 100 0.074 -3.421 -14.867 1.00 0.00 O ATOM 0 H GLU A 100 -0.469 -6.520 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 100 0.095 -6.208 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.798 -4.032 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.511 -4.018 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.005 -2.585 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.174 -3.881 -12.513 1.00 0.00 H new ATOM 1450 N ASP A 101 2.518 -6.420 -12.327 1.00 0.00 N ATOM 1451 CA ASP A 101 3.873 -6.932 -12.295 1.00 0.00 C ATOM 1452 C ASP A 101 4.872 -5.954 -11.571 1.00 0.00 C ATOM 1453 O ASP A 101 5.181 -4.865 -12.086 1.00 0.00 O ATOM 1454 CB ASP A 101 4.264 -7.089 -13.780 1.00 0.00 C ATOM 1455 CG ASP A 101 5.660 -7.598 -14.080 1.00 0.00 C ATOM 1456 OD1 ASP A 101 6.634 -6.821 -14.003 1.00 0.00 O ATOM 1457 OD2 ASP A 101 5.785 -8.754 -14.521 1.00 0.00 O ATOM 0 H ASP A 101 2.299 -5.979 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 101 3.924 -7.865 -11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.550 -7.767 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.147 -6.120 -14.264 1.00 0.00 H new ATOM 1462 N SER A 102 5.244 -6.265 -10.337 1.00 0.00 N ATOM 1463 CA SER A 102 6.327 -5.549 -9.657 1.00 0.00 C ATOM 1464 C SER A 102 7.603 -6.376 -9.665 1.00 0.00 C ATOM 1465 O SER A 102 7.580 -7.580 -9.930 1.00 0.00 O ATOM 1466 CB SER A 102 5.960 -5.123 -8.219 1.00 0.00 C ATOM 1467 OG SER A 102 5.448 -6.197 -7.452 1.00 0.00 O ATOM 0 H SER A 102 4.816 -7.006 -9.783 1.00 0.00 H new ATOM 0 HA SER A 102 6.494 -4.630 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.844 -4.717 -7.726 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.221 -4.323 -8.257 1.00 0.00 H new ATOM 0 HG SER A 102 5.094 -5.854 -6.605 1.00 0.00 H new ATOM 1473 N VAL A 103 8.707 -5.772 -9.378 1.00 0.00 N ATOM 1474 CA VAL A 103 9.898 -6.544 -9.280 1.00 0.00 C ATOM 1475 C VAL A 103 10.389 -6.673 -7.846 1.00 0.00 C ATOM 1476 O VAL A 103 10.324 -7.765 -7.249 1.00 0.00 O ATOM 1477 CB VAL A 103 11.036 -6.092 -10.257 1.00 0.00 C ATOM 1478 CG1 VAL A 103 10.635 -6.383 -11.679 1.00 0.00 C ATOM 1479 CG2 VAL A 103 11.365 -4.609 -10.125 1.00 0.00 C ATOM 0 H VAL A 103 8.810 -4.771 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 103 9.614 -7.542 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 103 11.929 -6.656 -9.988 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.431 -6.066 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.464 -7.453 -11.797 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.720 -5.841 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 103 12.160 -4.349 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.477 -4.018 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.694 -4.398 -9.107 1.00 0.00 H new ATOM 1489 N ILE A 104 10.748 -5.572 -7.244 1.00 0.00 N ATOM 1490 CA ILE A 104 11.437 -5.633 -5.979 1.00 0.00 C ATOM 1491 C ILE A 104 10.751 -4.746 -4.930 1.00 0.00 C ATOM 1492 O ILE A 104 11.359 -4.326 -3.942 1.00 0.00 O ATOM 1493 CB ILE A 104 12.941 -5.222 -6.195 1.00 0.00 C ATOM 1494 CG1 ILE A 104 13.814 -5.581 -4.973 1.00 0.00 C ATOM 1495 CG2 ILE A 104 13.069 -3.729 -6.549 1.00 0.00 C ATOM 1496 CD1 ILE A 104 15.281 -5.258 -5.146 1.00 0.00 C ATOM 0 H ILE A 104 10.579 -4.632 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 104 11.401 -6.653 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 104 13.313 -5.799 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.436 -5.048 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.709 -6.646 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.120 -3.478 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.519 -3.524 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.659 -3.126 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.824 -5.540 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.678 -5.812 -5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.400 -4.189 -5.322 1.00 0.00 H new ATOM 1508 N SER A 105 9.489 -4.476 -5.103 1.00 0.00 N ATOM 1509 CA SER A 105 8.857 -3.610 -4.135 1.00 0.00 C ATOM 1510 C SER A 105 8.427 -4.384 -2.862 1.00 0.00 C ATOM 1511 O SER A 105 7.316 -4.841 -2.748 1.00 0.00 O ATOM 1512 CB SER A 105 7.651 -2.939 -4.779 1.00 0.00 C ATOM 1513 OG SER A 105 8.006 -2.359 -6.025 1.00 0.00 O ATOM 0 H SER A 105 8.898 -4.819 -5.861 1.00 0.00 H new ATOM 0 HA SER A 105 9.580 -2.856 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.857 -3.671 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.257 -2.171 -4.113 1.00 0.00 H new ATOM 0 HG SER A 105 7.199 -2.224 -6.565 1.00 0.00 H new ATOM 1519 N LEU A 106 9.359 -4.539 -1.930 1.00 0.00 N ATOM 1520 CA LEU A 106 9.083 -5.062 -0.593 1.00 0.00 C ATOM 1521 C LEU A 106 8.436 -3.944 0.145 1.00 0.00 C ATOM 1522 O LEU A 106 9.062 -2.938 0.300 1.00 0.00 O ATOM 1523 CB LEU A 106 10.404 -5.429 0.171 1.00 0.00 C ATOM 1524 CG LEU A 106 11.239 -6.652 -0.283 1.00 0.00 C ATOM 1525 CD1 LEU A 106 11.852 -6.473 -1.658 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.321 -6.967 0.730 1.00 0.00 C ATOM 0 H LEU A 106 10.340 -4.303 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 106 8.471 -5.961 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.056 -4.557 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.142 -5.584 1.218 1.00 0.00 H new ATOM 0 HG LEU A 106 10.545 -7.490 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.425 -7.363 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.061 -6.322 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.512 -5.606 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.896 -7.829 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.983 -6.108 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.863 -7.191 1.693 1.00 0.00 H new ATOM 1538 N SER A 107 7.212 -4.075 0.584 1.00 0.00 N ATOM 1539 CA SER A 107 6.566 -2.941 1.203 1.00 0.00 C ATOM 1540 C SER A 107 7.197 -2.601 2.576 1.00 0.00 C ATOM 1541 O SER A 107 6.779 -3.087 3.616 1.00 0.00 O ATOM 1542 CB SER A 107 5.075 -3.216 1.320 1.00 0.00 C ATOM 1543 OG SER A 107 4.568 -3.694 0.073 1.00 0.00 O ATOM 0 H SER A 107 6.654 -4.927 0.529 1.00 0.00 H new ATOM 0 HA SER A 107 6.714 -2.063 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.893 -3.953 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.550 -2.306 1.611 1.00 0.00 H new ATOM 0 HG SER A 107 3.721 -4.163 0.223 1.00 0.00 H new ATOM 1549 N GLY A 108 8.238 -1.797 2.499 1.00 0.00 N ATOM 1550 CA GLY A 108 8.962 -1.285 3.617 1.00 0.00 C ATOM 1551 C GLY A 108 10.419 -1.632 3.481 1.00 0.00 C ATOM 1552 O GLY A 108 10.748 -2.766 3.128 1.00 0.00 O ATOM 0 H GLY A 108 8.611 -1.474 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.840 -0.203 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.564 -1.702 4.542 1.00 0.00 H new ATOM 1556 N ASP A 109 11.323 -0.690 3.742 1.00 0.00 N ATOM 1557 CA ASP A 109 12.732 -1.071 3.698 1.00 0.00 C ATOM 1558 C ASP A 109 13.134 -1.801 4.945 1.00 0.00 C ATOM 1559 O ASP A 109 13.908 -2.757 4.897 1.00 0.00 O ATOM 1560 CB ASP A 109 13.661 0.106 3.486 1.00 0.00 C ATOM 1561 CG ASP A 109 15.130 -0.287 3.584 1.00 0.00 C ATOM 1562 OD1 ASP A 109 15.700 -0.773 2.597 1.00 0.00 O ATOM 1563 OD2 ASP A 109 15.746 -0.101 4.662 1.00 0.00 O ATOM 0 H ASP A 109 11.125 0.284 3.972 1.00 0.00 H new ATOM 0 HA ASP A 109 12.832 -1.730 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.470 0.544 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.443 0.875 4.227 1.00 0.00 H new ATOM 1568 N HIS A 110 12.571 -1.384 6.068 1.00 0.00 N ATOM 1569 CA HIS A 110 12.964 -1.945 7.344 1.00 0.00 C ATOM 1570 C HIS A 110 12.507 -3.399 7.448 1.00 0.00 C ATOM 1571 O HIS A 110 13.195 -4.230 8.038 1.00 0.00 O ATOM 1572 CB HIS A 110 12.430 -1.096 8.509 1.00 0.00 C ATOM 1573 CG HIS A 110 13.053 -1.434 9.834 1.00 0.00 C ATOM 1574 ND1 HIS A 110 14.062 -0.697 10.399 1.00 0.00 N ATOM 1575 CD2 HIS A 110 12.809 -2.440 10.693 1.00 0.00 C ATOM 1576 CE1 HIS A 110 14.409 -1.241 11.542 1.00 0.00 C ATOM 1577 NE2 HIS A 110 13.659 -2.297 11.739 1.00 0.00 N ATOM 0 H HIS A 110 11.848 -0.666 6.119 1.00 0.00 H new ATOM 0 HA HIS A 110 14.052 -1.931 7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.608 -0.043 8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.350 -1.229 8.580 1.00 0.00 H new ATOM 0 HD2 HIS A 110 12.071 -3.219 10.571 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.180 -0.880 12.206 1.00 0.00 H new ATOM 0 HE2 HIS A 110 13.707 -2.913 12.550 1.00 0.00 H new ATOM 1586 N SER A 111 11.376 -3.675 6.855 1.00 0.00 N ATOM 1587 CA SER A 111 10.782 -4.989 6.792 1.00 0.00 C ATOM 1588 C SER A 111 9.505 -4.768 6.058 1.00 0.00 C ATOM 1589 O SER A 111 9.169 -3.617 5.819 1.00 0.00 O ATOM 1590 CB SER A 111 10.496 -5.547 8.219 1.00 0.00 C ATOM 1591 OG SER A 111 9.965 -6.870 8.191 1.00 0.00 O ATOM 0 H SER A 111 10.819 -2.963 6.383 1.00 0.00 H new ATOM 0 HA SER A 111 11.435 -5.716 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.418 -5.541 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.794 -4.888 8.730 1.00 0.00 H new ATOM 0 HG SER A 111 9.804 -7.177 9.108 1.00 0.00 H new ATOM 1597 N ILE A 112 8.830 -5.801 5.660 1.00 0.00 N ATOM 1598 CA ILE A 112 7.554 -5.652 5.070 1.00 0.00 C ATOM 1599 C ILE A 112 6.535 -5.797 6.174 1.00 0.00 C ATOM 1600 O ILE A 112 5.745 -4.908 6.423 1.00 0.00 O ATOM 1601 CB ILE A 112 7.269 -6.749 4.007 1.00 0.00 C ATOM 1602 CG1 ILE A 112 8.390 -6.807 2.969 1.00 0.00 C ATOM 1603 CG2 ILE A 112 5.940 -6.458 3.307 1.00 0.00 C ATOM 1604 CD1 ILE A 112 8.257 -7.959 1.998 1.00 0.00 C ATOM 0 H ILE A 112 9.154 -6.765 5.738 1.00 0.00 H new ATOM 0 HA ILE A 112 7.507 -4.683 4.574 1.00 0.00 H new ATOM 0 HB ILE A 112 7.215 -7.712 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.405 -5.871 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.347 -6.886 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.744 -7.230 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.135 -6.451 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.992 -5.486 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.087 -7.937 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.273 -8.901 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.316 -7.871 1.455 1.00 0.00 H new ATOM 1616 N ILE A 113 6.666 -6.891 6.922 1.00 0.00 N ATOM 1617 CA ILE A 113 5.663 -7.309 7.898 1.00 0.00 C ATOM 1618 C ILE A 113 5.522 -6.312 9.010 1.00 0.00 C ATOM 1619 O ILE A 113 6.334 -6.286 9.894 1.00 0.00 O ATOM 1620 CB ILE A 113 5.948 -8.715 8.559 1.00 0.00 C ATOM 1621 CG1 ILE A 113 6.253 -9.824 7.540 1.00 0.00 C ATOM 1622 CG2 ILE A 113 4.774 -9.151 9.437 1.00 0.00 C ATOM 1623 CD1 ILE A 113 7.684 -9.864 7.044 1.00 0.00 C ATOM 0 H ILE A 113 7.472 -7.513 6.868 1.00 0.00 H new ATOM 0 HA ILE A 113 4.745 -7.381 7.315 1.00 0.00 H new ATOM 0 HB ILE A 113 6.843 -8.576 9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.014 -10.787 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.591 -9.701 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.993 -10.122 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.618 -8.417 10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.873 -9.226 8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.799 -10.680 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.927 -8.919 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.357 -10.022 7.887 1.00 0.00 H new ATOM 1635 N GLY A 114 4.527 -5.473 8.940 1.00 0.00 N ATOM 1636 CA GLY A 114 4.272 -4.587 10.030 1.00 0.00 C ATOM 1637 C GLY A 114 4.184 -3.173 9.576 1.00 0.00 C ATOM 1638 O GLY A 114 3.812 -2.286 10.349 1.00 0.00 O ATOM 0 H GLY A 114 3.889 -5.387 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.341 -4.871 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.065 -4.683 10.771 1.00 0.00 H new ATOM 1642 N ARG A 115 4.502 -2.936 8.315 1.00 0.00 N ATOM 1643 CA ARG A 115 4.511 -1.582 7.831 1.00 0.00 C ATOM 1644 C ARG A 115 3.101 -1.177 7.497 1.00 0.00 C ATOM 1645 O ARG A 115 2.386 -1.936 6.908 1.00 0.00 O ATOM 1646 CB ARG A 115 5.387 -1.405 6.603 1.00 0.00 C ATOM 1647 CG ARG A 115 6.769 -2.065 6.619 1.00 0.00 C ATOM 1648 CD ARG A 115 7.598 -1.914 7.910 1.00 0.00 C ATOM 1649 NE ARG A 115 7.453 -3.074 8.829 1.00 0.00 N ATOM 1650 CZ ARG A 115 8.188 -3.317 9.959 1.00 0.00 C ATOM 1651 NH1 ARG A 115 9.006 -2.412 10.452 1.00 0.00 N ATOM 1652 NH2 ARG A 115 8.043 -4.445 10.612 1.00 0.00 N ATOM 0 H ARG A 115 4.750 -3.649 7.629 1.00 0.00 H new ATOM 0 HA ARG A 115 4.927 -0.952 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.841 -1.790 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 115 5.527 -0.336 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 115 6.639 -3.129 6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 115 7.350 -1.656 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.649 -1.793 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.292 -1.005 8.428 1.00 0.00 H new ATOM 0 HE ARG A 115 6.734 -3.758 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.103 -1.507 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 115 9.543 -2.615 11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 115 7.381 -5.146 10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 115 8.592 -4.622 11.453 1.00 0.00 H new ATOM 1666 N THR A 116 2.691 -0.024 7.920 1.00 0.00 N ATOM 1667 CA THR A 116 1.369 0.435 7.620 1.00 0.00 C ATOM 1668 C THR A 116 1.202 0.778 6.130 1.00 0.00 C ATOM 1669 O THR A 116 2.008 1.520 5.549 1.00 0.00 O ATOM 1670 CB THR A 116 1.017 1.647 8.485 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.155 1.276 9.882 1.00 0.00 O ATOM 1672 CG2 THR A 116 -0.412 2.097 8.212 1.00 0.00 C ATOM 0 H THR A 116 3.253 0.620 8.476 1.00 0.00 H new ATOM 0 HA THR A 116 0.682 -0.380 7.848 1.00 0.00 H new ATOM 0 HB THR A 116 1.689 2.471 8.247 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.091 2.078 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.647 2.960 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.513 2.370 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.100 1.284 8.444 1.00 0.00 H new ATOM 1680 N LEU A 117 0.191 0.190 5.522 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.168 0.505 4.158 1.00 0.00 C ATOM 1682 C LEU A 117 -0.884 1.856 4.073 1.00 0.00 C ATOM 1683 O LEU A 117 -2.074 1.955 4.299 1.00 0.00 O ATOM 1684 CB LEU A 117 -0.961 -0.661 3.487 1.00 0.00 C ATOM 1685 CG LEU A 117 -1.935 -1.515 4.360 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -3.107 -0.727 4.917 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -2.450 -2.684 3.564 1.00 0.00 C ATOM 0 H LEU A 117 -0.401 -0.516 5.959 1.00 0.00 H new ATOM 0 HA LEU A 117 0.750 0.609 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.540 -0.236 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.234 -1.341 3.044 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.353 -1.858 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.739 -1.386 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.735 0.083 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.689 -0.311 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.128 -3.274 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.982 -2.320 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.613 -3.306 3.248 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.167 2.929 3.750 1.00 0.00 N ATOM 1700 CA VAL A 118 -0.859 4.195 3.831 1.00 0.00 C ATOM 1701 C VAL A 118 -1.427 4.559 2.489 1.00 0.00 C ATOM 1702 O VAL A 118 -0.727 5.247 1.580 1.00 0.00 O ATOM 1703 CB VAL A 118 0.044 5.328 4.344 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -0.757 6.571 4.681 1.00 0.00 C ATOM 1705 CG2 VAL A 118 0.848 4.874 5.547 1.00 0.00 C ATOM 0 H VAL A 118 0.809 2.949 3.455 1.00 0.00 H new ATOM 0 HA VAL A 118 -1.666 4.074 4.553 1.00 0.00 H new ATOM 0 HB VAL A 118 0.734 5.584 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.085 7.350 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.276 6.922 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.486 6.335 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.480 5.692 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.170 4.577 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.473 4.026 5.268 1.00 0.00 H new ATOM 1715 N VAL A 119 -2.669 4.180 2.379 1.00 0.00 N ATOM 1716 CA VAL A 119 -3.558 4.328 1.266 1.00 0.00 C ATOM 1717 C VAL A 119 -4.969 4.455 1.846 1.00 0.00 C ATOM 1718 O VAL A 119 -5.146 4.282 3.034 1.00 0.00 O ATOM 1719 CB VAL A 119 -3.510 3.078 0.316 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -2.159 2.947 -0.385 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -3.820 1.790 1.089 1.00 0.00 C ATOM 0 H VAL A 119 -3.132 3.707 3.155 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.269 5.199 0.678 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.274 3.230 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.168 2.070 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.972 3.838 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.371 2.839 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.781 0.939 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.084 1.655 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.816 1.859 1.526 1.00 0.00 H new ATOM 1731 N HIS A 120 -5.918 4.794 1.038 1.00 0.00 N ATOM 1732 CA HIS A 120 -7.341 4.808 1.413 1.00 0.00 C ATOM 1733 C HIS A 120 -8.090 4.672 0.082 1.00 0.00 C ATOM 1734 O HIS A 120 -7.394 4.641 -0.955 1.00 0.00 O ATOM 1735 CB HIS A 120 -7.715 6.127 2.156 1.00 0.00 C ATOM 1736 CG HIS A 120 -9.132 6.166 2.697 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -9.504 5.606 3.899 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -10.274 6.663 2.161 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -10.800 5.750 4.068 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -11.297 6.381 3.030 1.00 0.00 N ATOM 0 H HIS A 120 -5.749 5.079 0.073 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.597 4.006 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.020 6.273 2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.577 6.965 1.473 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.872 5.150 4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.362 7.186 1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.364 5.405 4.922 1.00 0.00 H new ATOM 1749 N GLU A 121 -9.402 4.482 0.051 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.082 4.493 -1.231 1.00 0.00 C ATOM 1751 C GLU A 121 -10.055 5.954 -1.741 1.00 0.00 C ATOM 1752 O GLU A 121 -10.941 6.734 -1.432 1.00 0.00 O ATOM 1753 CB GLU A 121 -11.590 4.081 -1.082 1.00 0.00 C ATOM 1754 CG GLU A 121 -11.942 3.048 0.017 1.00 0.00 C ATOM 1755 CD GLU A 121 -11.836 3.614 1.426 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -12.783 4.293 1.901 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -10.763 3.474 2.041 1.00 0.00 O ATOM 0 H GLU A 121 -9.995 4.324 0.866 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.589 3.793 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.169 4.985 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.926 3.682 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.956 2.684 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.277 2.189 -0.074 1.00 0.00 H new ATOM 1764 N LYS A 122 -8.954 6.321 -2.366 1.00 0.00 N ATOM 1765 CA LYS A 122 -8.751 7.580 -3.047 1.00 0.00 C ATOM 1766 C LYS A 122 -7.374 7.494 -3.671 1.00 0.00 C ATOM 1767 O LYS A 122 -6.556 6.740 -3.148 1.00 0.00 O ATOM 1768 CB LYS A 122 -8.858 8.758 -2.084 1.00 0.00 C ATOM 1769 CG LYS A 122 -9.005 10.081 -2.783 1.00 0.00 C ATOM 1770 CD LYS A 122 -9.439 11.149 -1.824 1.00 0.00 C ATOM 1771 CE LYS A 122 -9.779 12.425 -2.553 1.00 0.00 C ATOM 1772 NZ LYS A 122 -10.793 12.204 -3.609 1.00 0.00 N ATOM 0 H LYS A 122 -8.135 5.715 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.517 7.750 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.713 8.605 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -7.970 8.785 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.057 10.362 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.734 9.992 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.307 10.806 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.645 11.339 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -10.151 13.162 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.875 12.840 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.371 13.061 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -10.317 11.989 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.404 11.406 -3.342 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.094 8.240 -4.722 1.00 0.00 N ATOM 1787 CA ALA A 123 -5.780 8.194 -5.385 1.00 0.00 C ATOM 1788 C ALA A 123 -4.607 8.409 -4.406 1.00 0.00 C ATOM 1789 O ALA A 123 -4.543 9.411 -3.703 1.00 0.00 O ATOM 1790 CB ALA A 123 -5.721 9.201 -6.513 1.00 0.00 C ATOM 0 H ALA A 123 -7.754 8.892 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.668 7.189 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.743 9.154 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -6.495 8.973 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.882 10.203 -6.115 1.00 0.00 H new ATOM 1796 N ASP A 124 -3.683 7.451 -4.397 1.00 0.00 N ATOM 1797 CA ASP A 124 -2.529 7.461 -3.517 1.00 0.00 C ATOM 1798 C ASP A 124 -1.360 7.229 -4.394 1.00 0.00 C ATOM 1799 O ASP A 124 -1.163 6.110 -4.885 1.00 0.00 O ATOM 1800 CB ASP A 124 -2.591 6.312 -2.484 1.00 0.00 C ATOM 1801 CG ASP A 124 -1.594 6.451 -1.318 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -0.378 6.443 -1.396 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -1.933 6.569 -0.197 1.00 0.00 O ATOM 0 H ASP A 124 -3.720 6.637 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.482 8.401 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.601 6.259 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -2.403 5.368 -2.996 1.00 0.00 H new ATOM 1808 N ASP A 125 -0.657 8.261 -4.681 1.00 0.00 N ATOM 1809 CA ASP A 125 0.482 8.180 -5.549 1.00 0.00 C ATOM 1810 C ASP A 125 1.527 9.121 -5.050 1.00 0.00 C ATOM 1811 O ASP A 125 1.211 10.108 -4.385 1.00 0.00 O ATOM 1812 CB ASP A 125 0.075 8.496 -7.004 1.00 0.00 C ATOM 1813 CG ASP A 125 1.231 8.518 -7.999 1.00 0.00 C ATOM 1814 OD1 ASP A 125 2.227 7.779 -7.829 1.00 0.00 O ATOM 1815 OD2 ASP A 125 1.133 9.260 -9.001 1.00 0.00 O ATOM 0 H ASP A 125 -0.848 9.197 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 125 0.888 7.168 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -0.655 7.755 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.423 9.465 -7.025 1.00 0.00 H new ATOM 1820 N LEU A 126 2.738 8.755 -5.250 1.00 0.00 N ATOM 1821 CA LEU A 126 3.869 9.585 -4.859 1.00 0.00 C ATOM 1822 C LEU A 126 4.286 10.489 -5.998 1.00 0.00 C ATOM 1823 O LEU A 126 4.872 11.564 -5.779 1.00 0.00 O ATOM 1824 CB LEU A 126 5.050 8.748 -4.430 1.00 0.00 C ATOM 1825 CG LEU A 126 6.252 9.519 -3.865 1.00 0.00 C ATOM 1826 CD1 LEU A 126 5.892 10.250 -2.583 1.00 0.00 C ATOM 1827 CD2 LEU A 126 7.407 8.592 -3.628 1.00 0.00 C ATOM 0 H LEU A 126 2.998 7.872 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 126 3.546 10.190 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.712 8.038 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.388 8.165 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 126 6.543 10.265 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.766 10.785 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.090 10.960 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.562 9.530 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 126 8.250 9.156 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 126 7.115 7.821 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 126 7.697 8.125 -4.569 1.00 0.00 H new ATOM 1839 N GLY A 127 4.045 10.034 -7.209 1.00 0.00 N ATOM 1840 CA GLY A 127 4.384 10.836 -8.361 1.00 0.00 C ATOM 1841 C GLY A 127 3.510 12.049 -8.469 1.00 0.00 C ATOM 1842 O GLY A 127 3.995 13.183 -8.407 1.00 0.00 O ATOM 0 H GLY A 127 3.623 9.129 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 127 5.428 11.144 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 127 4.285 10.235 -9.265 1.00 0.00 H new ATOM 1846 N LYS A 128 2.232 11.818 -8.615 1.00 0.00 N ATOM 1847 CA LYS A 128 1.267 12.878 -8.686 1.00 0.00 C ATOM 1848 C LYS A 128 0.019 12.560 -7.857 1.00 0.00 C ATOM 1849 O LYS A 128 -1.119 12.581 -8.369 1.00 0.00 O ATOM 1850 CB LYS A 128 0.938 13.267 -10.136 1.00 0.00 C ATOM 1851 CG LYS A 128 0.434 12.140 -11.012 1.00 0.00 C ATOM 1852 CD LYS A 128 0.131 12.653 -12.394 1.00 0.00 C ATOM 1853 CE LYS A 128 -0.404 11.567 -13.289 1.00 0.00 C ATOM 1854 NZ LYS A 128 -0.713 12.090 -14.622 1.00 0.00 N ATOM 0 H LYS A 128 1.831 10.883 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 128 1.721 13.761 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.187 14.057 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.833 13.688 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.182 11.349 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.463 11.702 -10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.596 13.462 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.036 13.072 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.329 10.764 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.302 11.136 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.080 11.322 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.429 12.840 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 0.151 12.480 -15.051 1.00 0.00 H new ATOM 1868 N GLY A 129 0.220 12.223 -6.621 1.00 0.00 N ATOM 1869 CA GLY A 129 -0.881 11.890 -5.750 1.00 0.00 C ATOM 1870 C GLY A 129 -1.690 13.099 -5.319 1.00 0.00 C ATOM 1871 O GLY A 129 -1.526 13.601 -4.213 1.00 0.00 O ATOM 0 H GLY A 129 1.140 12.169 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -1.538 11.184 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.495 11.385 -4.865 1.00 0.00 H new ATOM 1875 N GLY A 130 -2.541 13.573 -6.200 1.00 0.00 N ATOM 1876 CA GLY A 130 -3.438 14.657 -5.882 1.00 0.00 C ATOM 1877 C GLY A 130 -2.848 16.013 -6.175 1.00 0.00 C ATOM 1878 O GLY A 130 -2.691 16.399 -7.337 1.00 0.00 O ATOM 0 H GLY A 130 -2.630 13.219 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.360 14.537 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.705 14.603 -4.827 1.00 0.00 H new ATOM 1882 N ASN A 131 -2.536 16.727 -5.132 1.00 0.00 N ATOM 1883 CA ASN A 131 -1.961 18.072 -5.202 1.00 0.00 C ATOM 1884 C ASN A 131 -0.463 17.976 -4.875 1.00 0.00 C ATOM 1885 O ASN A 131 -0.030 16.950 -4.363 1.00 0.00 O ATOM 1886 CB ASN A 131 -2.689 18.965 -4.171 1.00 0.00 C ATOM 1887 CG ASN A 131 -2.186 20.397 -4.104 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -1.738 20.971 -5.105 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -2.241 20.974 -2.937 1.00 0.00 N ATOM 0 H ASN A 131 -2.672 16.396 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 131 -2.081 18.504 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -3.753 18.979 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.589 18.513 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -1.908 21.932 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.617 20.468 -2.135 1.00 0.00 H new ATOM 1896 N GLU A 132 0.311 19.043 -5.130 1.00 0.00 N ATOM 1897 CA GLU A 132 1.770 19.050 -4.892 1.00 0.00 C ATOM 1898 C GLU A 132 2.141 18.598 -3.473 1.00 0.00 C ATOM 1899 O GLU A 132 3.040 17.781 -3.288 1.00 0.00 O ATOM 1900 CB GLU A 132 2.361 20.432 -5.175 1.00 0.00 C ATOM 1901 CG GLU A 132 2.232 20.881 -6.620 1.00 0.00 C ATOM 1902 CD GLU A 132 3.000 19.994 -7.573 1.00 0.00 C ATOM 1903 OE1 GLU A 132 2.484 18.931 -7.956 1.00 0.00 O ATOM 1904 OE2 GLU A 132 4.127 20.364 -7.974 1.00 0.00 O ATOM 0 H GLU A 132 -0.050 19.921 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 132 2.200 18.326 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.869 21.163 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.416 20.427 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.179 20.887 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.592 21.906 -6.712 1.00 0.00 H new ATOM 1911 N GLU A 133 1.436 19.092 -2.477 1.00 0.00 N ATOM 1912 CA GLU A 133 1.733 18.708 -1.104 1.00 0.00 C ATOM 1913 C GLU A 133 1.198 17.313 -0.762 1.00 0.00 C ATOM 1914 O GLU A 133 1.741 16.615 0.094 1.00 0.00 O ATOM 1915 CB GLU A 133 1.238 19.746 -0.115 1.00 0.00 C ATOM 1916 CG GLU A 133 1.888 21.100 -0.302 1.00 0.00 C ATOM 1917 CD GLU A 133 1.632 22.023 0.845 1.00 0.00 C ATOM 1918 OE1 GLU A 133 2.408 21.984 1.816 1.00 0.00 O ATOM 1919 OE2 GLU A 133 0.652 22.803 0.813 1.00 0.00 O ATOM 0 H GLU A 133 0.664 19.750 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 133 2.819 18.661 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.158 19.851 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.430 19.394 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.963 20.969 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.515 21.555 -1.220 1.00 0.00 H new ATOM 1926 N SER A 134 0.189 16.896 -1.475 1.00 0.00 N ATOM 1927 CA SER A 134 -0.440 15.628 -1.270 1.00 0.00 C ATOM 1928 C SER A 134 0.391 14.521 -1.935 1.00 0.00 C ATOM 1929 O SER A 134 0.310 13.351 -1.566 1.00 0.00 O ATOM 1930 CB SER A 134 -1.830 15.676 -1.874 1.00 0.00 C ATOM 1931 OG SER A 134 -2.486 16.880 -1.494 1.00 0.00 O ATOM 0 H SER A 134 -0.225 17.442 -2.230 1.00 0.00 H new ATOM 0 HA SER A 134 -0.510 15.412 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.765 15.615 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.410 14.816 -1.540 1.00 0.00 H new ATOM 0 HG SER A 134 -3.357 16.933 -1.941 1.00 0.00 H new ATOM 1937 N THR A 135 1.197 14.890 -2.905 1.00 0.00 N ATOM 1938 CA THR A 135 2.012 13.919 -3.545 1.00 0.00 C ATOM 1939 C THR A 135 3.257 13.652 -2.696 1.00 0.00 C ATOM 1940 O THR A 135 3.869 12.609 -2.806 1.00 0.00 O ATOM 1941 CB THR A 135 2.368 14.305 -5.005 1.00 0.00 C ATOM 1942 OG1 THR A 135 2.682 13.126 -5.722 1.00 0.00 O ATOM 1943 CG2 THR A 135 3.561 15.254 -5.081 1.00 0.00 C ATOM 0 H THR A 135 1.296 15.843 -3.254 1.00 0.00 H new ATOM 0 HA THR A 135 1.440 12.994 -3.624 1.00 0.00 H new ATOM 0 HB THR A 135 1.506 14.817 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 135 3.630 12.911 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 135 3.770 15.494 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 135 3.332 16.170 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 135 4.434 14.777 -4.637 1.00 0.00 H new ATOM 1951 N LYS A 136 3.563 14.581 -1.793 1.00 0.00 N ATOM 1952 CA LYS A 136 4.670 14.416 -0.863 1.00 0.00 C ATOM 1953 C LYS A 136 4.317 13.323 0.139 1.00 0.00 C ATOM 1954 O LYS A 136 5.160 12.544 0.563 1.00 0.00 O ATOM 1955 CB LYS A 136 4.915 15.725 -0.099 1.00 0.00 C ATOM 1956 CG LYS A 136 5.237 16.918 -0.981 1.00 0.00 C ATOM 1957 CD LYS A 136 5.290 18.229 -0.190 1.00 0.00 C ATOM 1958 CE LYS A 136 6.414 18.262 0.839 1.00 0.00 C ATOM 1959 NZ LYS A 136 6.408 19.520 1.617 1.00 0.00 N ATOM 0 H LYS A 136 3.055 15.459 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 136 5.568 14.148 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 136 4.030 15.956 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.737 15.574 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.196 16.755 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.485 17.000 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.416 19.060 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 136 4.337 18.379 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.312 17.415 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.373 18.152 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.186 19.506 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.531 20.327 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 5.502 19.613 2.120 1.00 0.00 H new ATOM 1973 N THR A 137 3.056 13.289 0.505 1.00 0.00 N ATOM 1974 CA THR A 137 2.564 12.360 1.484 1.00 0.00 C ATOM 1975 C THR A 137 2.170 11.007 0.848 1.00 0.00 C ATOM 1976 O THR A 137 2.071 9.963 1.547 1.00 0.00 O ATOM 1977 CB THR A 137 1.376 12.991 2.307 1.00 0.00 C ATOM 1978 OG1 THR A 137 0.979 12.133 3.383 1.00 0.00 O ATOM 1979 CG2 THR A 137 0.168 13.262 1.449 1.00 0.00 C ATOM 0 H THR A 137 2.342 13.911 0.126 1.00 0.00 H new ATOM 0 HA THR A 137 3.376 12.151 2.180 1.00 0.00 H new ATOM 0 HB THR A 137 1.752 13.936 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.154 12.578 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 137 -0.623 13.696 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 137 0.435 13.958 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 137 -0.184 12.328 1.010 1.00 0.00 H new ATOM 1987 N GLY A 138 2.008 10.989 -0.472 1.00 0.00 N ATOM 1988 CA GLY A 138 1.479 9.817 -1.104 1.00 0.00 C ATOM 1989 C GLY A 138 0.064 9.681 -0.646 1.00 0.00 C ATOM 1990 O GLY A 138 -0.270 8.688 0.123 1.00 0.00 O ATOM 0 H GLY A 138 2.234 11.761 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.527 9.908 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 138 2.060 8.936 -0.832 1.00 0.00 H new ATOM 1994 N ASN A 139 -0.743 10.638 -1.148 1.00 0.00 N ATOM 1995 CA ASN A 139 -2.097 11.011 -0.681 1.00 0.00 C ATOM 1996 C ASN A 139 -2.934 9.908 -0.152 1.00 0.00 C ATOM 1997 O ASN A 139 -3.423 9.049 -0.868 1.00 0.00 O ATOM 1998 CB ASN A 139 -2.876 11.803 -1.753 1.00 0.00 C ATOM 1999 CG ASN A 139 -4.301 12.184 -1.310 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -4.445 13.309 -0.658 1.00 0.00 O flip ATOM 2001 ND2 ASN A 139 -5.264 11.458 -1.552 1.00 0.00 N flip ATOM 0 H ASN A 139 -0.449 11.208 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 139 -1.893 11.648 0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.324 12.710 -1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -2.933 11.209 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -5.129 10.585 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -6.197 11.729 -1.243 1.00 0.00 H new ATOM 2008 N ALA A 140 -3.013 9.924 1.128 1.00 0.00 N ATOM 2009 CA ALA A 140 -3.859 9.124 1.908 1.00 0.00 C ATOM 2010 C ALA A 140 -4.075 9.909 3.143 1.00 0.00 C ATOM 2011 O ALA A 140 -3.417 10.945 3.328 1.00 0.00 O ATOM 2012 CB ALA A 140 -3.194 7.828 2.256 1.00 0.00 C ATOM 0 H ALA A 140 -2.439 10.549 1.694 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.784 8.882 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -3.869 7.224 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -2.946 7.289 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -2.282 8.027 2.819 1.00 0.00 H new ATOM 2018 N GLY A 141 -4.962 9.491 3.954 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.991 10.027 5.263 1.00 0.00 C ATOM 2020 C GLY A 141 -4.050 9.179 6.071 1.00 0.00 C ATOM 2021 O GLY A 141 -4.077 7.957 5.911 1.00 0.00 O ATOM 0 H GLY A 141 -5.672 8.789 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.677 11.071 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.999 9.996 5.676 1.00 0.00 H new ATOM 2025 N SER A 142 -3.237 9.788 6.907 1.00 0.00 N ATOM 2026 CA SER A 142 -2.168 9.086 7.642 1.00 0.00 C ATOM 2027 C SER A 142 -2.676 7.884 8.453 1.00 0.00 C ATOM 2028 O SER A 142 -1.964 6.919 8.630 1.00 0.00 O ATOM 2029 CB SER A 142 -1.421 10.070 8.546 1.00 0.00 C ATOM 2030 OG SER A 142 -0.920 11.179 7.791 1.00 0.00 O ATOM 0 H SER A 142 -3.286 10.787 7.107 1.00 0.00 H new ATOM 0 HA SER A 142 -1.485 8.681 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.089 10.430 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.595 9.560 9.042 1.00 0.00 H new ATOM 0 HG SER A 142 -0.448 11.795 8.389 1.00 0.00 H new ATOM 2036 N ARG A 143 -3.902 7.960 8.909 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.505 6.898 9.664 1.00 0.00 C ATOM 2038 C ARG A 143 -5.784 6.478 8.992 1.00 0.00 C ATOM 2039 O ARG A 143 -6.617 5.792 9.595 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.819 7.355 11.091 1.00 0.00 C ATOM 2041 CG ARG A 143 -5.832 8.479 11.148 1.00 0.00 C ATOM 2042 CD ARG A 143 -6.159 8.870 12.564 1.00 0.00 C ATOM 2043 NE ARG A 143 -7.063 10.018 12.595 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.845 10.361 13.619 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -7.897 9.597 14.713 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -8.572 11.472 13.548 1.00 0.00 N ATOM 0 H ARG A 143 -4.510 8.766 8.764 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.806 6.063 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.195 6.507 11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.897 7.681 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.443 9.345 10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.744 8.172 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -6.618 8.027 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.241 9.111 13.100 1.00 0.00 H new ATOM 0 HE ARG A 143 -7.099 10.607 11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.337 8.746 14.768 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -8.497 9.864 15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -8.530 12.057 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -9.172 11.740 14.328 1.00 0.00 H new ATOM 2060 N LEU A 144 -5.967 6.876 7.766 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.211 6.598 7.067 1.00 0.00 C ATOM 2062 C LEU A 144 -7.349 5.146 6.720 1.00 0.00 C ATOM 2063 O LEU A 144 -8.403 4.704 6.253 1.00 0.00 O ATOM 2064 CB LEU A 144 -7.448 7.539 5.885 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.287 8.812 6.182 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -9.745 8.439 6.381 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -7.791 9.543 7.433 1.00 0.00 C ATOM 0 H LEU A 144 -5.278 7.394 7.221 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.021 6.814 7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -6.479 7.850 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -7.945 6.978 5.094 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.178 9.477 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -10.325 9.338 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.125 7.962 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.833 7.749 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.405 10.427 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.862 8.879 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.753 9.844 7.291 1.00 0.00 H new ATOM 2079 N ALA A 145 -6.285 4.428 6.924 1.00 0.00 N ATOM 2080 CA ALA A 145 -6.260 3.010 6.814 1.00 0.00 C ATOM 2081 C ALA A 145 -5.049 2.503 7.540 1.00 0.00 C ATOM 2082 O ALA A 145 -3.962 2.447 6.978 1.00 0.00 O ATOM 2083 CB ALA A 145 -6.249 2.542 5.366 1.00 0.00 C ATOM 0 H ALA A 145 -5.384 4.832 7.180 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.170 2.609 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.230 1.453 5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.144 2.903 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -5.365 2.934 4.864 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.191 2.229 8.811 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.108 1.645 9.506 1.00 0.00 C ATOM 2091 C CYS A 146 -4.195 0.181 9.273 1.00 0.00 C ATOM 2092 O CYS A 146 -5.275 -0.413 9.401 1.00 0.00 O ATOM 2093 CB CYS A 146 -4.185 1.946 10.995 1.00 0.00 C ATOM 2094 SG CYS A 146 -4.132 3.724 11.408 1.00 0.00 S ATOM 0 H CYS A 146 -6.031 2.401 9.363 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.161 2.050 9.149 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -5.106 1.520 11.392 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -3.359 1.444 11.498 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.112 -0.382 8.894 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.060 -1.752 8.632 1.00 0.00 C ATOM 2101 C GLY A 147 -1.672 -2.159 8.373 1.00 0.00 C ATOM 2102 O GLY A 147 -0.986 -1.511 7.572 1.00 0.00 O ATOM 0 H GLY A 147 -2.229 0.110 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.459 -2.309 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.685 -1.991 7.771 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.207 -3.137 9.066 1.00 0.00 N ATOM 2107 CA VAL A 148 0.070 -3.681 8.765 1.00 0.00 C ATOM 2108 C VAL A 148 -0.007 -4.519 7.497 1.00 0.00 C ATOM 2109 O VAL A 148 -0.880 -5.391 7.354 1.00 0.00 O ATOM 2110 CB VAL A 148 0.668 -4.509 9.937 1.00 0.00 C ATOM 2111 CG1 VAL A 148 0.940 -3.615 11.130 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -0.241 -5.666 10.345 1.00 0.00 C ATOM 0 H VAL A 148 -1.692 -3.578 9.847 1.00 0.00 H new ATOM 0 HA VAL A 148 0.747 -2.842 8.606 1.00 0.00 H new ATOM 0 HB VAL A 148 1.607 -4.937 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.358 -4.209 11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.649 -2.837 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.009 -3.155 11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.217 -6.216 11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.207 -5.275 10.664 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.383 -6.334 9.496 1.00 0.00 H new ATOM 2122 N ILE A 149 0.827 -4.199 6.568 1.00 0.00 N ATOM 2123 CA ILE A 149 0.951 -4.967 5.382 1.00 0.00 C ATOM 2124 C ILE A 149 2.153 -5.835 5.593 1.00 0.00 C ATOM 2125 O ILE A 149 3.134 -5.408 6.222 1.00 0.00 O ATOM 2126 CB ILE A 149 1.091 -4.093 4.073 1.00 0.00 C ATOM 2127 CG1 ILE A 149 1.079 -4.986 2.812 1.00 0.00 C ATOM 2128 CG2 ILE A 149 2.348 -3.218 4.097 1.00 0.00 C ATOM 2129 CD1 ILE A 149 1.117 -4.222 1.500 1.00 0.00 C ATOM 0 H ILE A 149 1.446 -3.390 6.613 1.00 0.00 H new ATOM 0 HA ILE A 149 0.044 -5.548 5.214 1.00 0.00 H new ATOM 0 HB ILE A 149 0.229 -3.427 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.935 -5.659 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.184 -5.607 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 149 2.403 -2.635 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 149 2.306 -2.544 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.231 -3.852 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.106 -4.926 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.247 -3.569 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.026 -3.622 1.455 1.00 0.00 H new ATOM 2141 N GLY A 150 2.054 -7.051 5.237 1.00 0.00 N ATOM 2142 CA GLY A 150 3.151 -7.881 5.407 1.00 0.00 C ATOM 2143 C GLY A 150 2.859 -9.236 5.019 1.00 0.00 C ATOM 2144 O GLY A 150 1.731 -9.573 4.785 1.00 0.00 O ATOM 0 H GLY A 150 1.226 -7.485 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.986 -7.505 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.464 -7.861 6.451 1.00 0.00 H new ATOM 2148 N ILE A 151 3.864 -10.024 4.907 1.00 0.00 N ATOM 2149 CA ILE A 151 3.666 -11.433 4.738 1.00 0.00 C ATOM 2150 C ILE A 151 3.424 -12.099 6.089 1.00 0.00 C ATOM 2151 O ILE A 151 4.330 -12.270 6.909 1.00 0.00 O ATOM 2152 CB ILE A 151 4.790 -12.141 3.910 1.00 0.00 C ATOM 2153 CG1 ILE A 151 4.641 -13.684 3.966 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.178 -11.688 4.327 1.00 0.00 C ATOM 2155 CD1 ILE A 151 5.647 -14.445 3.127 1.00 0.00 C ATOM 0 H ILE A 151 4.839 -9.725 4.928 1.00 0.00 H new ATOM 0 HA ILE A 151 2.770 -11.554 4.129 1.00 0.00 H new ATOM 0 HB ILE A 151 4.666 -11.839 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.733 -14.008 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 151 3.637 -13.951 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.926 -12.206 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.271 -10.613 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.335 -11.920 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 151 5.468 -15.516 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.542 -14.155 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 151 6.656 -14.212 3.469 1.00 0.00 H new ATOM 2167 N ALA A 152 2.190 -12.431 6.317 1.00 0.00 N ATOM 2168 CA ALA A 152 1.798 -13.083 7.525 1.00 0.00 C ATOM 2169 C ALA A 152 1.475 -14.508 7.208 1.00 0.00 C ATOM 2170 O ALA A 152 0.563 -14.792 6.429 1.00 0.00 O ATOM 2171 CB ALA A 152 0.614 -12.382 8.178 1.00 0.00 C ATOM 0 H ALA A 152 1.424 -12.256 5.666 1.00 0.00 H new ATOM 0 HA ALA A 152 2.617 -13.042 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.342 -12.905 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 152 0.885 -11.353 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.234 -12.386 7.493 1.00 0.00 H new ATOM 2177 N GLN A 153 2.227 -15.383 7.762 1.00 0.00 N ATOM 2178 CA GLN A 153 2.073 -16.776 7.521 1.00 0.00 C ATOM 2179 C GLN A 153 1.627 -17.406 8.816 1.00 0.00 C ATOM 2180 O GLN A 153 2.479 -17.636 9.695 1.00 0.00 O ATOM 2181 CB GLN A 153 3.403 -17.363 7.041 1.00 0.00 C ATOM 2182 CG GLN A 153 3.334 -18.811 6.596 1.00 0.00 C ATOM 2183 CD GLN A 153 4.679 -19.329 6.144 1.00 0.00 C ATOM 2184 OE1 GLN A 153 5.039 -19.222 4.970 1.00 0.00 O ATOM 2185 NE2 GLN A 153 5.436 -19.885 7.051 1.00 0.00 N ATOM 2186 OXT GLN A 153 0.409 -17.601 8.999 1.00 0.00 O ATOM 0 H GLN A 153 2.982 -15.152 8.408 1.00 0.00 H new ATOM 0 HA GLN A 153 1.333 -16.970 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 153 3.772 -16.760 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 153 4.133 -17.279 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 153 2.966 -19.426 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 153 2.616 -18.906 5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 153 5.108 -19.958 8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 153 6.355 -20.246 6.796 1.00 0.00 H new