USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 53 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -119:sc= -0.0411 (180deg=-0.0637) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.165 X(o=-3.6,f=-3.5) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -3.74 K(o=-3.6,f=-4.4) USER MOD Set 3.1: A 35 SER OG : rot -120:sc= 1.17 USER MOD Set 3.2: A 38 SER OG : rot 44:sc= -4.45! USER MOD Set 4.1: A 18 LYS NZ :NH3+ -171:sc= 0.119 (180deg=-0.00607) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.232 USER MOD Single : A 39 THR OG1 : rot 94:sc= 0.438 USER MOD Single : A 44 MET CE :methyl 165:sc= -10.9! (180deg=-12.1!) USER MOD Single : A 48 THR OG1 : rot -65:sc= 0.833 USER MOD Single : A 52 TYR OH : rot -112:sc= 0.727 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.154 F(o=-2,f=-0.15) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -2.87! C(o=-4.9!,f=-2.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.669 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.64! C(o=-7.9!,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.00845 (180deg=-0.02) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00687 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.000742 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 5.465 0.446 -11.049 1.00 0.00 N ATOM 2 CA GLY A 8 5.614 1.930 -11.035 1.00 0.00 C ATOM 3 C GLY A 8 6.908 2.325 -11.753 1.00 0.00 C ATOM 4 O GLY A 8 7.355 1.651 -12.662 1.00 0.00 O ATOM 0 HA2 GLY A 8 4.758 2.396 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.631 2.294 -10.008 1.00 0.00 H new ATOM 8 N VAL A 9 7.513 3.417 -11.348 1.00 0.00 N ATOM 9 CA VAL A 9 8.784 3.863 -12.005 1.00 0.00 C ATOM 10 C VAL A 9 9.990 3.620 -11.086 1.00 0.00 C ATOM 11 O VAL A 9 11.077 3.330 -11.547 1.00 0.00 O ATOM 12 CB VAL A 9 8.592 5.363 -12.292 1.00 0.00 C ATOM 13 CG1 VAL A 9 8.541 6.160 -10.983 1.00 0.00 C ATOM 14 CG2 VAL A 9 9.757 5.869 -13.148 1.00 0.00 C ATOM 0 H VAL A 9 7.183 4.018 -10.593 1.00 0.00 H new ATOM 0 HA VAL A 9 8.986 3.305 -12.920 1.00 0.00 H new ATOM 0 HB VAL A 9 7.650 5.500 -12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.405 7.218 -11.206 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.708 5.807 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.474 6.022 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.624 6.931 -13.353 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.694 5.718 -12.613 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.783 5.319 -14.089 1.00 0.00 H new ATOM 24 N PHE A 10 9.807 3.742 -9.795 1.00 0.00 N ATOM 25 CA PHE A 10 10.937 3.526 -8.848 1.00 0.00 C ATOM 26 C PHE A 10 10.444 2.795 -7.594 1.00 0.00 C ATOM 27 O PHE A 10 9.388 3.089 -7.066 1.00 0.00 O ATOM 28 CB PHE A 10 11.433 4.947 -8.530 1.00 0.00 C ATOM 29 CG PHE A 10 11.780 5.106 -7.059 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.792 5.508 -6.150 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.088 4.872 -6.608 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.107 5.674 -4.797 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.401 5.036 -5.252 1.00 0.00 C ATOM 34 CZ PHE A 10 12.412 5.440 -4.347 1.00 0.00 C ATOM 0 H PHE A 10 8.918 3.983 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 10 11.733 2.904 -9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.310 5.170 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.664 5.670 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.785 5.690 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.853 4.566 -7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.343 5.983 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.407 4.850 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.655 5.571 -3.303 1.00 0.00 H new ATOM 44 N VAL A 11 11.219 1.863 -7.107 1.00 0.00 N ATOM 45 CA VAL A 11 10.826 1.123 -5.874 1.00 0.00 C ATOM 46 C VAL A 11 11.680 1.641 -4.716 1.00 0.00 C ATOM 47 O VAL A 11 12.885 1.479 -4.708 1.00 0.00 O ATOM 48 CB VAL A 11 11.094 -0.367 -6.169 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.591 -0.620 -6.393 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.610 -1.214 -4.988 1.00 0.00 C ATOM 0 H VAL A 11 12.112 1.582 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 11 9.780 1.261 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 11 10.555 -0.643 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.754 -1.678 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.937 -0.028 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.146 -0.335 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.798 -2.268 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.146 -0.920 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.541 -1.058 -4.843 1.00 0.00 H new ATOM 60 N ASP A 12 11.068 2.306 -3.765 1.00 0.00 N ATOM 61 CA ASP A 12 11.844 2.880 -2.625 1.00 0.00 C ATOM 62 C ASP A 12 12.924 1.916 -2.126 1.00 0.00 C ATOM 63 O ASP A 12 12.637 0.887 -1.544 1.00 0.00 O ATOM 64 CB ASP A 12 10.823 3.155 -1.522 1.00 0.00 C ATOM 65 CG ASP A 12 11.503 3.919 -0.381 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.000 5.004 -0.630 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.513 3.405 0.724 1.00 0.00 O ATOM 0 H ASP A 12 10.063 2.475 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 12 12.367 3.785 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.990 3.736 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.410 2.217 -1.151 1.00 0.00 H new ATOM 72 N ASP A 13 14.168 2.271 -2.336 1.00 0.00 N ATOM 73 CA ASP A 13 15.289 1.421 -1.866 1.00 0.00 C ATOM 74 C ASP A 13 15.346 1.474 -0.338 1.00 0.00 C ATOM 75 O ASP A 13 15.845 0.574 0.310 1.00 0.00 O ATOM 76 CB ASP A 13 16.544 2.044 -2.482 1.00 0.00 C ATOM 77 CG ASP A 13 17.684 1.022 -2.468 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.777 0.254 -3.412 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.444 1.024 -1.514 1.00 0.00 O ATOM 0 H ASP A 13 14.450 3.124 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 13 15.184 0.375 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.340 2.362 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.833 2.934 -1.923 1.00 0.00 H new ATOM 84 N HIS A 14 14.819 2.532 0.234 1.00 0.00 N ATOM 85 CA HIS A 14 14.810 2.672 1.715 1.00 0.00 C ATOM 86 C HIS A 14 13.885 1.619 2.342 1.00 0.00 C ATOM 87 O HIS A 14 14.082 1.202 3.467 1.00 0.00 O ATOM 88 CB HIS A 14 14.279 4.089 1.966 1.00 0.00 C ATOM 89 CG HIS A 14 15.111 4.761 3.025 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.473 4.975 2.873 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.787 5.272 4.258 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.913 5.589 3.986 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.926 5.794 4.864 1.00 0.00 N ATOM 0 H HIS A 14 14.392 3.308 -0.272 1.00 0.00 H new ATOM 0 HA HIS A 14 15.795 2.522 2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.310 4.668 1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.236 4.047 2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.798 5.269 4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.940 5.881 4.150 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.993 6.237 5.780 1.00 0.00 H new ATOM 101 N LEU A 15 12.894 1.168 1.609 1.00 0.00 N ATOM 102 CA LEU A 15 11.974 0.122 2.141 1.00 0.00 C ATOM 103 C LEU A 15 12.671 -1.234 2.016 1.00 0.00 C ATOM 104 O LEU A 15 12.553 -2.090 2.869 1.00 0.00 O ATOM 105 CB LEU A 15 10.706 0.222 1.267 1.00 0.00 C ATOM 106 CG LEU A 15 10.606 -0.942 0.268 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.044 -2.181 0.970 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.671 -0.539 -0.877 1.00 0.00 C ATOM 0 H LEU A 15 12.685 1.483 0.662 1.00 0.00 H new ATOM 0 HA LEU A 15 11.712 0.248 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.824 0.228 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.713 1.167 0.724 1.00 0.00 H new ATOM 0 HG LEU A 15 11.597 -1.171 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.975 -3.003 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.704 -2.465 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.052 -1.958 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.595 -1.360 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.683 -0.313 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.070 0.342 -1.379 1.00 0.00 H new ATOM 120 N LEU A 16 13.420 -1.406 0.958 1.00 0.00 N ATOM 121 CA LEU A 16 14.169 -2.679 0.750 1.00 0.00 C ATOM 122 C LEU A 16 15.213 -2.840 1.847 1.00 0.00 C ATOM 123 O LEU A 16 15.345 -3.891 2.438 1.00 0.00 O ATOM 124 CB LEU A 16 14.842 -2.532 -0.605 1.00 0.00 C ATOM 125 CG LEU A 16 13.847 -2.933 -1.682 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.757 -1.817 -2.718 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.315 -4.229 -2.337 1.00 0.00 C ATOM 0 H LEU A 16 13.545 -0.711 0.222 1.00 0.00 H new ATOM 0 HA LEU A 16 13.520 -3.554 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.170 -1.503 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.731 -3.161 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 16 12.861 -3.092 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.045 -2.098 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.424 -0.898 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.738 -1.657 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.606 -4.522 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.297 -4.077 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.377 -5.015 -1.585 1.00 0.00 H new ATOM 139 N GLU A 17 15.942 -1.788 2.136 1.00 0.00 N ATOM 140 CA GLU A 17 16.973 -1.859 3.222 1.00 0.00 C ATOM 141 C GLU A 17 16.348 -2.433 4.512 1.00 0.00 C ATOM 142 O GLU A 17 17.041 -2.965 5.357 1.00 0.00 O ATOM 143 CB GLU A 17 17.454 -0.408 3.416 1.00 0.00 C ATOM 144 CG GLU A 17 16.876 0.183 4.707 1.00 0.00 C ATOM 145 CD GLU A 17 17.195 1.680 4.784 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.368 2.022 4.766 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.262 2.459 4.868 1.00 0.00 O ATOM 0 H GLU A 17 15.868 -0.885 1.668 1.00 0.00 H new ATOM 0 HA GLU A 17 17.805 -2.517 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.543 -0.382 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.150 0.199 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.797 0.030 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.294 -0.332 5.572 1.00 0.00 H new ATOM 154 N LYS A 18 15.043 -2.336 4.652 1.00 0.00 N ATOM 155 CA LYS A 18 14.366 -2.881 5.865 1.00 0.00 C ATOM 156 C LYS A 18 13.665 -4.207 5.530 1.00 0.00 C ATOM 157 O LYS A 18 13.630 -5.115 6.338 1.00 0.00 O ATOM 158 CB LYS A 18 13.335 -1.817 6.251 1.00 0.00 C ATOM 159 CG LYS A 18 14.033 -0.652 6.960 1.00 0.00 C ATOM 160 CD LYS A 18 13.496 0.676 6.416 1.00 0.00 C ATOM 161 CE LYS A 18 12.835 1.470 7.548 1.00 0.00 C ATOM 162 NZ LYS A 18 11.380 1.485 7.217 1.00 0.00 N ATOM 0 H LYS A 18 14.420 -1.900 3.972 1.00 0.00 H new ATOM 0 HA LYS A 18 15.068 -3.086 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.820 -1.457 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.578 -2.251 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.862 -0.712 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.110 -0.711 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.309 1.256 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.774 0.489 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.014 1.000 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.236 2.482 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.884 2.135 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.251 1.803 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.990 0.527 7.325 1.00 0.00 H new ATOM 176 N VAL A 19 13.103 -4.324 4.346 1.00 0.00 N ATOM 177 CA VAL A 19 12.399 -5.589 3.962 1.00 0.00 C ATOM 178 C VAL A 19 13.402 -6.732 3.756 1.00 0.00 C ATOM 179 O VAL A 19 13.166 -7.845 4.186 1.00 0.00 O ATOM 180 CB VAL A 19 11.648 -5.265 2.667 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.534 -5.543 1.449 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.393 -6.132 2.600 1.00 0.00 C ATOM 0 H VAL A 19 13.103 -3.597 3.631 1.00 0.00 H new ATOM 0 HA VAL A 19 11.716 -5.925 4.742 1.00 0.00 H new ATOM 0 HB VAL A 19 11.377 -4.209 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.984 -5.307 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.430 -4.925 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.819 -6.595 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.847 -5.912 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.677 -7.184 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.758 -5.919 3.460 1.00 0.00 H new ATOM 192 N LEU A 20 14.530 -6.461 3.140 1.00 0.00 N ATOM 193 CA LEU A 20 15.557 -7.540 2.963 1.00 0.00 C ATOM 194 C LEU A 20 15.986 -7.950 4.355 1.00 0.00 C ATOM 195 O LEU A 20 16.205 -9.109 4.651 1.00 0.00 O ATOM 196 CB LEU A 20 16.746 -6.919 2.213 1.00 0.00 C ATOM 197 CG LEU A 20 16.258 -6.152 0.987 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.327 -5.146 0.559 1.00 0.00 C ATOM 199 CD2 LEU A 20 15.984 -7.129 -0.160 1.00 0.00 C ATOM 0 H LEU A 20 14.782 -5.550 2.756 1.00 0.00 H new ATOM 0 HA LEU A 20 15.181 -8.400 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.292 -6.248 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.441 -7.701 1.908 1.00 0.00 H new ATOM 0 HG LEU A 20 15.338 -5.623 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.980 -4.597 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.516 -4.447 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.248 -5.676 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.636 -6.577 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.901 -7.663 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.220 -7.844 0.146 1.00 0.00 H new ATOM 211 N GLU A 21 16.066 -6.973 5.216 1.00 0.00 N ATOM 212 CA GLU A 21 16.438 -7.232 6.629 1.00 0.00 C ATOM 213 C GLU A 21 15.358 -8.091 7.301 1.00 0.00 C ATOM 214 O GLU A 21 15.657 -8.929 8.131 1.00 0.00 O ATOM 215 CB GLU A 21 16.502 -5.854 7.289 1.00 0.00 C ATOM 216 CG GLU A 21 17.822 -5.705 8.052 1.00 0.00 C ATOM 217 CD GLU A 21 18.647 -4.575 7.432 1.00 0.00 C ATOM 218 OE1 GLU A 21 19.310 -4.825 6.438 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.602 -3.476 7.961 1.00 0.00 O ATOM 0 H GLU A 21 15.886 -5.994 4.994 1.00 0.00 H new ATOM 0 HA GLU A 21 17.384 -7.767 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.419 -5.074 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.661 -5.728 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.625 -5.491 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.382 -6.640 8.017 1.00 0.00 H new ATOM 226 N LEU A 22 14.105 -7.902 6.938 1.00 0.00 N ATOM 227 CA LEU A 22 13.018 -8.726 7.550 1.00 0.00 C ATOM 228 C LEU A 22 13.006 -10.116 6.907 1.00 0.00 C ATOM 229 O LEU A 22 12.625 -11.091 7.526 1.00 0.00 O ATOM 230 CB LEU A 22 11.711 -7.978 7.251 1.00 0.00 C ATOM 231 CG LEU A 22 11.258 -7.177 8.481 1.00 0.00 C ATOM 232 CD1 LEU A 22 11.068 -8.116 9.676 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.307 -6.116 8.828 1.00 0.00 C ATOM 0 H LEU A 22 13.795 -7.217 6.249 1.00 0.00 H new ATOM 0 HA LEU A 22 13.156 -8.863 8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.855 -7.306 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.935 -8.689 6.966 1.00 0.00 H new ATOM 0 HG LEU A 22 10.311 -6.688 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.747 -7.540 10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.311 -8.862 9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.011 -8.615 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.979 -5.552 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.258 -6.602 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.432 -5.438 7.984 1.00 0.00 H new ATOM 245 N ASN A 23 13.446 -10.212 5.677 1.00 0.00 N ATOM 246 CA ASN A 23 13.489 -11.540 4.993 1.00 0.00 C ATOM 247 C ASN A 23 14.763 -12.295 5.401 1.00 0.00 C ATOM 248 O ASN A 23 14.900 -13.477 5.148 1.00 0.00 O ATOM 249 CB ASN A 23 13.506 -11.224 3.495 1.00 0.00 C ATOM 250 CG ASN A 23 12.071 -11.029 2.994 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.312 -11.973 2.909 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.666 -9.836 2.656 1.00 0.00 N ATOM 0 H ASN A 23 13.778 -9.427 5.117 1.00 0.00 H new ATOM 0 HA ASN A 23 12.641 -12.171 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.092 -10.324 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.986 -12.035 2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.713 -9.697 2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.303 -9.042 2.727 1.00 0.00 H new ATOM 259 N ALA A 24 15.693 -11.619 6.039 1.00 0.00 N ATOM 260 CA ALA A 24 16.948 -12.275 6.475 1.00 0.00 C ATOM 261 C ALA A 24 16.743 -12.934 7.839 1.00 0.00 C ATOM 262 O ALA A 24 17.287 -13.987 8.116 1.00 0.00 O ATOM 263 CB ALA A 24 17.970 -11.146 6.581 1.00 0.00 C ATOM 0 H ALA A 24 15.625 -10.629 6.274 1.00 0.00 H new ATOM 0 HA ALA A 24 17.271 -13.053 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.930 -11.553 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.084 -10.666 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.627 -10.412 7.310 1.00 0.00 H new ATOM 269 N LYS A 25 15.950 -12.325 8.689 1.00 0.00 N ATOM 270 CA LYS A 25 15.694 -12.918 10.034 1.00 0.00 C ATOM 271 C LYS A 25 14.490 -13.860 9.965 1.00 0.00 C ATOM 272 O LYS A 25 14.266 -14.662 10.854 1.00 0.00 O ATOM 273 CB LYS A 25 15.392 -11.731 10.960 1.00 0.00 C ATOM 274 CG LYS A 25 16.478 -10.654 10.827 1.00 0.00 C ATOM 275 CD LYS A 25 17.866 -11.287 10.965 1.00 0.00 C ATOM 276 CE LYS A 25 18.875 -10.489 10.133 1.00 0.00 C ATOM 277 NZ LYS A 25 19.792 -11.510 9.548 1.00 0.00 N ATOM 0 H LYS A 25 15.471 -11.443 8.507 1.00 0.00 H new ATOM 0 HA LYS A 25 16.544 -13.499 10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.419 -11.307 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.336 -12.074 11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.391 -10.156 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.340 -9.891 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.170 -11.299 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.840 -12.324 10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.376 -9.915 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.421 -9.778 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.511 -11.037 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.259 -12.037 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.246 -12.169 8.958 1.00 0.00 H new ATOM 291 N GLY A 26 13.709 -13.759 8.918 1.00 0.00 N ATOM 292 CA GLY A 26 12.507 -14.629 8.779 1.00 0.00 C ATOM 293 C GLY A 26 11.313 -13.953 9.457 1.00 0.00 C ATOM 294 O GLY A 26 10.392 -14.610 9.904 1.00 0.00 O ATOM 0 H GLY A 26 13.856 -13.105 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.290 -14.804 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.694 -15.603 9.232 1.00 0.00 H new ATOM 298 N GLU A 27 11.328 -12.643 9.542 1.00 0.00 N ATOM 299 CA GLU A 27 10.198 -11.919 10.195 1.00 0.00 C ATOM 300 C GLU A 27 9.375 -11.158 9.152 1.00 0.00 C ATOM 301 O GLU A 27 9.914 -10.539 8.253 1.00 0.00 O ATOM 302 CB GLU A 27 10.865 -10.945 11.172 1.00 0.00 C ATOM 303 CG GLU A 27 11.193 -11.672 12.479 1.00 0.00 C ATOM 304 CD GLU A 27 9.978 -11.628 13.410 1.00 0.00 C ATOM 305 OE1 GLU A 27 9.876 -10.683 14.174 1.00 0.00 O ATOM 306 OE2 GLU A 27 9.172 -12.541 13.342 1.00 0.00 O ATOM 0 H GLU A 27 12.075 -12.047 9.186 1.00 0.00 H new ATOM 0 HA GLU A 27 9.511 -12.598 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.776 -10.539 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.203 -10.102 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.468 -12.706 12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.051 -11.204 12.962 1.00 0.00 H new ATOM 313 N LYS A 28 8.072 -11.198 9.269 1.00 0.00 N ATOM 314 CA LYS A 28 7.202 -10.476 8.295 1.00 0.00 C ATOM 315 C LYS A 28 6.525 -9.289 8.990 1.00 0.00 C ATOM 316 O LYS A 28 5.431 -9.401 9.512 1.00 0.00 O ATOM 317 CB LYS A 28 6.168 -11.513 7.844 1.00 0.00 C ATOM 318 CG LYS A 28 6.762 -12.375 6.727 1.00 0.00 C ATOM 319 CD LYS A 28 5.635 -13.081 5.970 1.00 0.00 C ATOM 320 CE LYS A 28 6.220 -13.854 4.784 1.00 0.00 C ATOM 321 NZ LYS A 28 5.042 -14.276 3.973 1.00 0.00 N ATOM 0 H LYS A 28 7.572 -11.702 10.001 1.00 0.00 H new ATOM 0 HA LYS A 28 7.758 -10.073 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.876 -12.141 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.266 -11.013 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.340 -11.754 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.448 -13.110 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.107 -13.763 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.906 -12.351 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.896 -13.228 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.795 -14.716 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.366 -14.812 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.420 -14.876 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.517 -13.435 3.659 1.00 0.00 H new ATOM 335 N ARG A 29 7.178 -8.152 9.006 1.00 0.00 N ATOM 336 CA ARG A 29 6.589 -6.951 9.672 1.00 0.00 C ATOM 337 C ARG A 29 6.266 -5.872 8.632 1.00 0.00 C ATOM 338 O ARG A 29 6.039 -6.167 7.473 1.00 0.00 O ATOM 339 CB ARG A 29 7.675 -6.469 10.641 1.00 0.00 C ATOM 340 CG ARG A 29 7.039 -6.070 11.976 1.00 0.00 C ATOM 341 CD ARG A 29 7.601 -6.950 13.097 1.00 0.00 C ATOM 342 NE ARG A 29 8.832 -6.247 13.563 1.00 0.00 N ATOM 343 CZ ARG A 29 10.003 -6.593 13.095 1.00 0.00 C ATOM 344 NH1 ARG A 29 10.580 -5.864 12.174 1.00 0.00 N ATOM 345 NH2 ARG A 29 10.598 -7.666 13.549 1.00 0.00 N ATOM 0 H ARG A 29 8.095 -8.005 8.585 1.00 0.00 H new ATOM 0 HA ARG A 29 5.655 -7.176 10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.410 -7.258 10.799 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.207 -5.619 10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.242 -5.020 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.956 -6.180 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.881 -7.063 13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.832 -7.951 12.734 1.00 0.00 H new ATOM 0 HE ARG A 29 8.760 -5.495 14.248 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.116 -5.027 11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.493 -6.133 11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.148 -8.233 14.268 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.511 -7.936 13.184 1.00 0.00 H new ATOM 359 N LEU A 30 6.240 -4.627 9.037 1.00 0.00 N ATOM 360 CA LEU A 30 5.927 -3.529 8.076 1.00 0.00 C ATOM 361 C LEU A 30 7.168 -2.647 7.838 1.00 0.00 C ATOM 362 O LEU A 30 8.058 -2.571 8.665 1.00 0.00 O ATOM 363 CB LEU A 30 4.778 -2.742 8.739 1.00 0.00 C ATOM 364 CG LEU A 30 5.322 -1.646 9.664 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.711 -0.297 9.273 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.951 -1.970 11.114 1.00 0.00 C ATOM 0 H LEU A 30 6.423 -4.325 9.994 1.00 0.00 H new ATOM 0 HA LEU A 30 5.638 -3.900 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.149 -2.294 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.148 -3.424 9.310 1.00 0.00 H new ATOM 0 HG LEU A 30 6.407 -1.597 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.098 0.482 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.974 -0.064 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.626 -0.347 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.338 -1.191 11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.866 -2.020 11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.385 -2.930 11.395 1.00 0.00 H new ATOM 378 N ILE A 31 7.222 -1.985 6.708 1.00 0.00 N ATOM 379 CA ILE A 31 8.388 -1.100 6.392 1.00 0.00 C ATOM 380 C ILE A 31 7.885 0.275 5.929 1.00 0.00 C ATOM 381 O ILE A 31 7.141 0.382 4.975 1.00 0.00 O ATOM 382 CB ILE A 31 9.148 -1.817 5.269 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.746 -3.117 5.816 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.274 -0.916 4.747 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.271 -4.296 4.967 1.00 0.00 C ATOM 0 H ILE A 31 6.503 -2.020 5.985 1.00 0.00 H new ATOM 0 HA ILE A 31 9.030 -0.929 7.256 1.00 0.00 H new ATOM 0 HB ILE A 31 8.462 -2.042 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.835 -3.062 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.446 -3.259 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.811 -1.430 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.849 0.010 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.963 -0.687 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.697 -5.220 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.183 -4.355 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.594 -4.155 3.935 1.00 0.00 H new ATOM 397 N LYS A 32 8.279 1.321 6.606 1.00 0.00 N ATOM 398 CA LYS A 32 7.817 2.692 6.219 1.00 0.00 C ATOM 399 C LYS A 32 8.706 3.277 5.111 1.00 0.00 C ATOM 400 O LYS A 32 9.849 2.893 4.949 1.00 0.00 O ATOM 401 CB LYS A 32 7.932 3.524 7.499 1.00 0.00 C ATOM 402 CG LYS A 32 6.806 3.139 8.466 1.00 0.00 C ATOM 403 CD LYS A 32 7.331 2.151 9.514 1.00 0.00 C ATOM 404 CE LYS A 32 8.307 2.864 10.458 1.00 0.00 C ATOM 405 NZ LYS A 32 9.450 1.919 10.623 1.00 0.00 N ATOM 0 H LYS A 32 8.902 1.288 7.413 1.00 0.00 H new ATOM 0 HA LYS A 32 6.801 2.683 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.901 3.356 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.873 4.586 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.417 4.031 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.979 2.692 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.500 1.734 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.831 1.317 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.638 3.814 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.837 3.086 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.159 2.339 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.106 1.026 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.882 1.732 9.696 1.00 0.00 H new ATOM 419 N THR A 33 8.176 4.201 4.344 1.00 0.00 N ATOM 420 CA THR A 33 8.970 4.818 3.233 1.00 0.00 C ATOM 421 C THR A 33 8.748 6.340 3.194 1.00 0.00 C ATOM 422 O THR A 33 7.762 6.838 3.701 1.00 0.00 O ATOM 423 CB THR A 33 8.424 4.157 1.965 1.00 0.00 C ATOM 424 OG1 THR A 33 8.828 2.793 1.927 1.00 0.00 O ATOM 425 CG2 THR A 33 8.958 4.882 0.732 1.00 0.00 C ATOM 0 H THR A 33 7.224 4.555 4.440 1.00 0.00 H new ATOM 0 HA THR A 33 10.043 4.666 3.350 1.00 0.00 H new ATOM 0 HB THR A 33 7.336 4.214 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.780 2.740 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.566 4.407 -0.167 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.643 5.925 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.047 4.832 0.724 1.00 0.00 H new ATOM 433 N TRP A 34 9.665 7.083 2.601 1.00 0.00 N ATOM 434 CA TRP A 34 9.505 8.577 2.540 1.00 0.00 C ATOM 435 C TRP A 34 10.069 9.158 1.229 1.00 0.00 C ATOM 436 O TRP A 34 10.537 10.282 1.203 1.00 0.00 O ATOM 437 CB TRP A 34 10.313 9.114 3.726 1.00 0.00 C ATOM 438 CG TRP A 34 9.803 8.528 5.001 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.770 9.015 5.719 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.282 7.354 5.713 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.585 8.218 6.834 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.497 7.180 6.875 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.313 6.435 5.462 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.731 6.129 7.762 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.552 5.375 6.351 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.763 5.223 7.500 1.00 0.00 C ATOM 0 H TRP A 34 10.510 6.720 2.160 1.00 0.00 H new ATOM 0 HA TRP A 34 8.452 8.857 2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.367 8.867 3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.242 10.201 3.762 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.183 9.885 5.465 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.865 8.376 7.539 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.926 6.544 4.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.119 6.016 8.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.348 4.673 6.149 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.952 4.407 8.182 1.00 0.00 H new ATOM 457 N SER A 35 10.032 8.420 0.146 1.00 0.00 N ATOM 458 CA SER A 35 10.575 8.963 -1.143 1.00 0.00 C ATOM 459 C SER A 35 9.495 9.775 -1.888 1.00 0.00 C ATOM 460 O SER A 35 9.291 10.939 -1.599 1.00 0.00 O ATOM 461 CB SER A 35 11.021 7.740 -1.951 1.00 0.00 C ATOM 462 OG SER A 35 9.972 6.783 -1.986 1.00 0.00 O ATOM 0 H SER A 35 9.654 7.474 0.096 1.00 0.00 H new ATOM 0 HA SER A 35 11.407 9.648 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.288 8.039 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.912 7.301 -1.503 1.00 0.00 H new ATOM 0 HG SER A 35 10.279 5.946 -1.580 1.00 0.00 H new ATOM 468 N ARG A 36 8.805 9.179 -2.839 1.00 0.00 N ATOM 469 CA ARG A 36 7.744 9.925 -3.593 1.00 0.00 C ATOM 470 C ARG A 36 6.932 8.955 -4.465 1.00 0.00 C ATOM 471 O ARG A 36 5.761 8.730 -4.226 1.00 0.00 O ATOM 472 CB ARG A 36 8.497 10.936 -4.467 1.00 0.00 C ATOM 473 CG ARG A 36 8.020 12.353 -4.137 1.00 0.00 C ATOM 474 CD ARG A 36 8.291 13.276 -5.330 1.00 0.00 C ATOM 475 NE ARG A 36 7.137 14.218 -5.357 1.00 0.00 N ATOM 476 CZ ARG A 36 6.160 14.032 -6.205 1.00 0.00 C ATOM 477 NH1 ARG A 36 5.126 13.308 -5.861 1.00 0.00 N ATOM 478 NH2 ARG A 36 6.217 14.570 -7.396 1.00 0.00 N ATOM 0 H ARG A 36 8.933 8.208 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 36 7.039 10.419 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.570 10.853 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.326 10.720 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.955 12.345 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.536 12.725 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.234 13.810 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.361 12.710 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 36 7.109 15.009 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.083 12.889 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.363 13.162 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.024 15.134 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.455 14.425 -8.058 1.00 0.00 H new ATOM 492 N ARG A 37 7.554 8.370 -5.463 1.00 0.00 N ATOM 493 CA ARG A 37 6.829 7.398 -6.346 1.00 0.00 C ATOM 494 C ARG A 37 7.165 5.961 -5.916 1.00 0.00 C ATOM 495 O ARG A 37 7.458 5.103 -6.728 1.00 0.00 O ATOM 496 CB ARG A 37 7.323 7.689 -7.772 1.00 0.00 C ATOM 497 CG ARG A 37 8.841 7.486 -7.861 1.00 0.00 C ATOM 498 CD ARG A 37 9.500 8.757 -8.399 1.00 0.00 C ATOM 499 NE ARG A 37 10.909 8.368 -8.687 1.00 0.00 N ATOM 500 CZ ARG A 37 11.893 8.958 -8.062 1.00 0.00 C ATOM 501 NH1 ARG A 37 12.732 9.709 -8.726 1.00 0.00 N ATOM 502 NH2 ARG A 37 12.038 8.797 -6.771 1.00 0.00 N ATOM 0 H ARG A 37 8.533 8.524 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 37 5.746 7.501 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.819 7.031 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.069 8.712 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.244 7.244 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.067 6.643 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.997 9.112 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.455 9.565 -7.668 1.00 0.00 H new ATOM 0 HE ARG A 37 11.106 7.640 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.618 9.834 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.500 10.170 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.383 8.211 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.806 9.257 -6.283 1.00 0.00 H new ATOM 516 N SER A 38 7.133 5.717 -4.628 1.00 0.00 N ATOM 517 CA SER A 38 7.456 4.370 -4.070 1.00 0.00 C ATOM 518 C SER A 38 6.669 3.248 -4.760 1.00 0.00 C ATOM 519 O SER A 38 5.485 3.367 -5.015 1.00 0.00 O ATOM 520 CB SER A 38 7.045 4.471 -2.603 1.00 0.00 C ATOM 521 OG SER A 38 8.142 4.954 -1.850 1.00 0.00 O ATOM 0 H SER A 38 6.890 6.415 -3.925 1.00 0.00 H new ATOM 0 HA SER A 38 8.507 4.121 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.191 5.140 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.733 3.495 -2.231 1.00 0.00 H new ATOM 0 HG SER A 38 8.563 5.700 -2.327 1.00 0.00 H new ATOM 527 N THR A 39 7.329 2.148 -5.032 1.00 0.00 N ATOM 528 CA THR A 39 6.648 0.984 -5.676 1.00 0.00 C ATOM 529 C THR A 39 6.998 -0.297 -4.909 1.00 0.00 C ATOM 530 O THR A 39 7.977 -0.347 -4.188 1.00 0.00 O ATOM 531 CB THR A 39 7.193 0.916 -7.108 1.00 0.00 C ATOM 532 OG1 THR A 39 6.811 2.087 -7.821 1.00 0.00 O ATOM 533 CG2 THR A 39 6.626 -0.324 -7.812 1.00 0.00 C ATOM 0 H THR A 39 8.319 2.007 -4.833 1.00 0.00 H new ATOM 0 HA THR A 39 5.563 1.089 -5.673 1.00 0.00 H new ATOM 0 HB THR A 39 8.281 0.851 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.528 2.752 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.013 -0.373 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.924 -1.220 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.538 -0.261 -7.840 1.00 0.00 H new ATOM 541 N ILE A 40 6.201 -1.327 -5.044 1.00 0.00 N ATOM 542 CA ILE A 40 6.495 -2.599 -4.305 1.00 0.00 C ATOM 543 C ILE A 40 7.395 -3.533 -5.136 1.00 0.00 C ATOM 544 O ILE A 40 7.602 -3.334 -6.319 1.00 0.00 O ATOM 545 CB ILE A 40 5.126 -3.244 -4.059 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.260 -2.310 -3.209 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.297 -4.569 -3.317 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.469 -1.375 -4.120 1.00 0.00 C ATOM 0 H ILE A 40 5.365 -1.346 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 40 7.033 -2.408 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 40 4.646 -3.423 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.579 -2.893 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.888 -1.730 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.319 -5.020 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.909 -5.245 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.785 -4.389 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.853 -0.711 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.159 -0.782 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.829 -1.963 -4.778 1.00 0.00 H new ATOM 560 N VAL A 41 7.911 -4.561 -4.506 1.00 0.00 N ATOM 561 CA VAL A 41 8.791 -5.556 -5.205 1.00 0.00 C ATOM 562 C VAL A 41 8.456 -6.959 -4.711 1.00 0.00 C ATOM 563 O VAL A 41 7.658 -7.124 -3.805 1.00 0.00 O ATOM 564 CB VAL A 41 10.253 -5.205 -4.846 1.00 0.00 C ATOM 565 CG1 VAL A 41 10.873 -4.384 -5.977 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.327 -4.403 -3.543 1.00 0.00 C ATOM 0 H VAL A 41 7.757 -4.758 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 41 8.643 -5.524 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 41 10.803 -6.136 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.904 -4.136 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.855 -4.964 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.303 -3.465 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.368 -4.171 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.765 -3.476 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.901 -4.990 -2.730 1.00 0.00 H new ATOM 576 N PRO A 42 9.078 -7.930 -5.321 1.00 0.00 N ATOM 577 CA PRO A 42 8.841 -9.340 -4.934 1.00 0.00 C ATOM 578 C PRO A 42 9.327 -9.584 -3.504 1.00 0.00 C ATOM 579 O PRO A 42 8.765 -10.375 -2.778 1.00 0.00 O ATOM 580 CB PRO A 42 9.653 -10.123 -5.957 1.00 0.00 C ATOM 581 CG PRO A 42 10.703 -9.173 -6.422 1.00 0.00 C ATOM 582 CD PRO A 42 10.057 -7.821 -6.413 1.00 0.00 C ATOM 0 HA PRO A 42 7.790 -9.629 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.096 -11.014 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.028 -10.457 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.572 -9.197 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.053 -9.434 -7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.782 -7.028 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.576 -7.597 -7.365 1.00 0.00 H new ATOM 590 N GLU A 43 10.351 -8.882 -3.095 1.00 0.00 N ATOM 591 CA GLU A 43 10.873 -9.028 -1.704 1.00 0.00 C ATOM 592 C GLU A 43 9.835 -8.532 -0.680 1.00 0.00 C ATOM 593 O GLU A 43 9.970 -8.767 0.506 1.00 0.00 O ATOM 594 CB GLU A 43 12.124 -8.145 -1.652 1.00 0.00 C ATOM 595 CG GLU A 43 13.370 -9.024 -1.546 1.00 0.00 C ATOM 596 CD GLU A 43 13.403 -9.710 -0.178 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.703 -9.037 0.793 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.126 -10.898 -0.125 1.00 0.00 O ATOM 0 H GLU A 43 10.853 -8.207 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 43 11.089 -10.068 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.180 -7.524 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.069 -7.470 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.367 -9.772 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.266 -8.419 -1.682 1.00 0.00 H new ATOM 605 N MET A 44 8.804 -7.847 -1.128 1.00 0.00 N ATOM 606 CA MET A 44 7.765 -7.338 -0.179 1.00 0.00 C ATOM 607 C MET A 44 6.549 -8.283 -0.138 1.00 0.00 C ATOM 608 O MET A 44 5.519 -7.949 0.411 1.00 0.00 O ATOM 609 CB MET A 44 7.368 -5.962 -0.727 1.00 0.00 C ATOM 610 CG MET A 44 8.446 -4.938 -0.354 1.00 0.00 C ATOM 611 SD MET A 44 8.398 -3.542 -1.508 1.00 0.00 S ATOM 612 CE MET A 44 7.038 -2.624 -0.748 1.00 0.00 C ATOM 0 H MET A 44 8.641 -7.621 -2.109 1.00 0.00 H new ATOM 0 HA MET A 44 8.140 -7.278 0.843 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.253 -6.008 -1.810 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.405 -5.659 -0.317 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.287 -4.584 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.429 -5.407 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.020 -1.608 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.094 -3.118 -0.975 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.180 -2.592 0.332 1.00 0.00 H new ATOM 622 N VAL A 45 6.667 -9.460 -0.716 1.00 0.00 N ATOM 623 CA VAL A 45 5.530 -10.447 -0.737 1.00 0.00 C ATOM 624 C VAL A 45 5.092 -10.913 0.677 1.00 0.00 C ATOM 625 O VAL A 45 4.231 -11.766 0.802 1.00 0.00 O ATOM 626 CB VAL A 45 6.073 -11.631 -1.559 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.373 -12.156 -0.934 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.042 -12.763 -1.598 1.00 0.00 C ATOM 0 H VAL A 45 7.515 -9.784 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 45 4.633 -9.998 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 45 6.271 -11.285 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.748 -12.993 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.117 -11.360 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.178 -12.489 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.437 -13.595 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.833 -13.100 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.122 -12.402 -2.057 1.00 0.00 H new ATOM 638 N GLY A 46 5.640 -10.368 1.733 1.00 0.00 N ATOM 639 CA GLY A 46 5.210 -10.797 3.097 1.00 0.00 C ATOM 640 C GLY A 46 5.365 -9.637 4.083 1.00 0.00 C ATOM 641 O GLY A 46 5.670 -9.845 5.242 1.00 0.00 O ATOM 0 H GLY A 46 6.363 -9.648 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.172 -11.128 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.808 -11.647 3.425 1.00 0.00 H new ATOM 645 N HIS A 47 5.171 -8.413 3.639 1.00 0.00 N ATOM 646 CA HIS A 47 5.330 -7.251 4.572 1.00 0.00 C ATOM 647 C HIS A 47 4.314 -6.149 4.265 1.00 0.00 C ATOM 648 O HIS A 47 3.879 -5.981 3.142 1.00 0.00 O ATOM 649 CB HIS A 47 6.754 -6.721 4.342 1.00 0.00 C ATOM 650 CG HIS A 47 7.748 -7.850 4.374 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.393 -8.242 5.536 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.208 -8.685 3.389 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.199 -9.273 5.223 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.124 -9.583 3.926 1.00 0.00 N ATOM 0 H HIS A 47 4.913 -8.172 2.682 1.00 0.00 H new ATOM 0 HA HIS A 47 5.164 -7.559 5.604 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.807 -6.209 3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.003 -5.987 5.108 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.278 -7.825 6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.905 -8.651 2.353 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.829 -9.787 5.934 1.00 0.00 H new ATOM 662 N THR A 48 3.974 -5.374 5.264 1.00 0.00 N ATOM 663 CA THR A 48 3.024 -4.244 5.079 1.00 0.00 C ATOM 664 C THR A 48 3.866 -2.977 4.966 1.00 0.00 C ATOM 665 O THR A 48 4.118 -2.292 5.937 1.00 0.00 O ATOM 666 CB THR A 48 2.146 -4.216 6.347 1.00 0.00 C ATOM 667 OG1 THR A 48 2.259 -5.448 7.053 1.00 0.00 O ATOM 668 CG2 THR A 48 0.685 -3.994 5.959 1.00 0.00 C ATOM 0 H THR A 48 4.323 -5.482 6.216 1.00 0.00 H new ATOM 0 HA THR A 48 2.394 -4.335 4.194 1.00 0.00 H new ATOM 0 HB THR A 48 2.486 -3.402 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.885 -6.172 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.069 -3.975 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.589 -3.044 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.354 -4.804 5.309 1.00 0.00 H new ATOM 676 N ILE A 49 4.352 -2.690 3.795 1.00 0.00 N ATOM 677 CA ILE A 49 5.236 -1.501 3.636 1.00 0.00 C ATOM 678 C ILE A 49 4.423 -0.237 3.386 1.00 0.00 C ATOM 679 O ILE A 49 3.726 -0.123 2.398 1.00 0.00 O ATOM 680 CB ILE A 49 6.135 -1.838 2.444 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.996 -3.054 2.808 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.044 -0.648 2.122 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.488 -4.289 2.065 1.00 0.00 C ATOM 0 H ILE A 49 4.178 -3.223 2.943 1.00 0.00 H new ATOM 0 HA ILE A 49 5.817 -1.298 4.536 1.00 0.00 H new ATOM 0 HB ILE A 49 5.521 -2.059 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.037 -2.865 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.962 -3.226 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.681 -0.896 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.433 0.221 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.666 -0.421 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.103 -5.150 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.453 -4.483 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.545 -4.116 0.990 1.00 0.00 H new ATOM 695 N ALA A 50 4.526 0.721 4.279 1.00 0.00 N ATOM 696 CA ALA A 50 3.775 1.988 4.090 1.00 0.00 C ATOM 697 C ALA A 50 4.484 2.835 3.042 1.00 0.00 C ATOM 698 O ALA A 50 5.233 3.747 3.349 1.00 0.00 O ATOM 699 CB ALA A 50 3.738 2.677 5.451 1.00 0.00 C ATOM 0 H ALA A 50 5.096 0.674 5.123 1.00 0.00 H new ATOM 0 HA ALA A 50 2.758 1.822 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.195 3.618 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.237 2.031 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.756 2.874 5.787 1.00 0.00 H new ATOM 705 N VAL A 51 4.251 2.507 1.801 1.00 0.00 N ATOM 706 CA VAL A 51 4.899 3.248 0.678 1.00 0.00 C ATOM 707 C VAL A 51 4.536 4.733 0.743 1.00 0.00 C ATOM 708 O VAL A 51 3.383 5.095 0.886 1.00 0.00 O ATOM 709 CB VAL A 51 4.351 2.617 -0.612 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.701 1.126 -0.656 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.825 2.787 -0.674 1.00 0.00 C ATOM 0 H VAL A 51 3.633 1.749 1.512 1.00 0.00 H new ATOM 0 HA VAL A 51 5.986 3.181 0.725 1.00 0.00 H new ATOM 0 HB VAL A 51 4.804 3.119 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.309 0.687 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.784 1.006 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.260 0.623 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.446 2.337 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.369 2.297 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.576 3.848 -0.661 1.00 0.00 H new ATOM 721 N TYR A 52 5.512 5.593 0.628 1.00 0.00 N ATOM 722 CA TYR A 52 5.217 7.050 0.665 1.00 0.00 C ATOM 723 C TYR A 52 4.574 7.453 -0.664 1.00 0.00 C ATOM 724 O TYR A 52 5.233 7.538 -1.684 1.00 0.00 O ATOM 725 CB TYR A 52 6.572 7.746 0.866 1.00 0.00 C ATOM 726 CG TYR A 52 6.362 9.216 1.148 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.578 9.620 2.235 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.964 10.177 0.329 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.394 10.981 2.501 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.783 11.539 0.595 1.00 0.00 C ATOM 731 CZ TYR A 52 5.998 11.940 1.682 1.00 0.00 C ATOM 732 OH TYR A 52 5.821 13.284 1.949 1.00 0.00 O ATOM 0 H TYR A 52 6.495 5.349 0.511 1.00 0.00 H new ATOM 0 HA TYR A 52 4.527 7.326 1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.109 7.282 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.189 7.623 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.114 8.879 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.569 9.867 -0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.786 11.291 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.249 12.280 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 52 5.287 13.692 1.236 1.00 0.00 H new ATOM 742 N ASN A 53 3.286 7.694 -0.655 1.00 0.00 N ATOM 743 CA ASN A 53 2.573 8.090 -1.913 1.00 0.00 C ATOM 744 C ASN A 53 2.869 9.564 -2.262 1.00 0.00 C ATOM 745 O ASN A 53 2.203 10.165 -3.083 1.00 0.00 O ATOM 746 CB ASN A 53 1.087 7.879 -1.571 1.00 0.00 C ATOM 747 CG ASN A 53 0.186 8.480 -2.654 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.027 7.879 -3.688 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.355 9.653 -2.456 1.00 0.00 N ATOM 0 H ASN A 53 2.693 7.634 0.173 1.00 0.00 H new ATOM 0 HA ASN A 53 2.884 7.513 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.881 6.813 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.862 8.339 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.956 10.064 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.176 10.157 -1.588 1.00 0.00 H new ATOM 756 N GLY A 54 3.859 10.156 -1.638 1.00 0.00 N ATOM 757 CA GLY A 54 4.182 11.582 -1.914 1.00 0.00 C ATOM 758 C GLY A 54 3.773 12.412 -0.696 1.00 0.00 C ATOM 759 O GLY A 54 4.340 13.453 -0.425 1.00 0.00 O ATOM 0 H GLY A 54 4.458 9.706 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.247 11.698 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.653 11.926 -2.803 1.00 0.00 H new ATOM 763 N LYS A 55 2.788 11.950 0.045 1.00 0.00 N ATOM 764 CA LYS A 55 2.331 12.691 1.254 1.00 0.00 C ATOM 765 C LYS A 55 2.002 11.721 2.397 1.00 0.00 C ATOM 766 O LYS A 55 2.061 12.084 3.557 1.00 0.00 O ATOM 767 CB LYS A 55 1.062 13.443 0.830 1.00 0.00 C ATOM 768 CG LYS A 55 0.219 12.594 -0.131 1.00 0.00 C ATOM 769 CD LYS A 55 -1.265 12.914 0.073 1.00 0.00 C ATOM 770 CE LYS A 55 -2.116 12.011 -0.827 1.00 0.00 C ATOM 771 NZ LYS A 55 -2.352 10.772 -0.029 1.00 0.00 N ATOM 0 H LYS A 55 2.282 11.085 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 55 3.106 13.366 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.472 13.696 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.334 14.382 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.508 12.798 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.401 11.534 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.539 12.765 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.457 13.961 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.057 12.494 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.599 11.786 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.947 9.955 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.899 10.868 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.375 10.629 0.096 1.00 0.00 H new ATOM 785 N GLN A 56 1.611 10.506 2.081 1.00 0.00 N ATOM 786 CA GLN A 56 1.227 9.543 3.152 1.00 0.00 C ATOM 787 C GLN A 56 1.905 8.177 3.018 1.00 0.00 C ATOM 788 O GLN A 56 2.279 7.744 1.946 1.00 0.00 O ATOM 789 CB GLN A 56 -0.274 9.385 2.960 1.00 0.00 C ATOM 790 CG GLN A 56 -0.987 10.359 3.885 1.00 0.00 C ATOM 791 CD GLN A 56 -0.746 9.960 5.354 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.347 8.741 5.652 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -0.923 10.767 6.244 1.00 0.00 N flip ATOM 0 H GLN A 56 1.543 10.146 1.129 1.00 0.00 H new ATOM 0 HA GLN A 56 1.528 9.911 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.545 9.581 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.578 8.362 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.624 11.372 3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.056 10.362 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.232 11.713 6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.763 10.499 7.215 1.00 0.00 H new ATOM 802 N HIS A 57 2.019 7.487 4.130 1.00 0.00 N ATOM 803 CA HIS A 57 2.617 6.131 4.151 1.00 0.00 C ATOM 804 C HIS A 57 1.483 5.101 4.090 1.00 0.00 C ATOM 805 O HIS A 57 0.711 4.974 5.020 1.00 0.00 O ATOM 806 CB HIS A 57 3.328 6.047 5.507 1.00 0.00 C ATOM 807 CG HIS A 57 4.248 7.223 5.690 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.378 8.134 6.709 1.00 0.00 N flip ATOM 809 CD2 HIS A 57 5.181 7.588 4.735 1.00 0.00 C flip ATOM 810 CE1 HIS A 57 5.372 9.052 6.393 1.00 0.00 C flip ATOM 811 NE2 HIS A 57 5.823 8.677 5.193 1.00 0.00 N flip ATOM 0 H HIS A 57 1.712 7.825 5.042 1.00 0.00 H new ATOM 0 HA HIS A 57 3.297 5.943 3.320 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.592 6.025 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.896 5.119 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.361 7.089 3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.707 9.888 6.989 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.565 9.159 4.685 1.00 0.00 H new ATOM 819 N VAL A 58 1.365 4.374 3.009 1.00 0.00 N ATOM 820 CA VAL A 58 0.267 3.361 2.905 1.00 0.00 C ATOM 821 C VAL A 58 0.835 1.962 3.177 1.00 0.00 C ATOM 822 O VAL A 58 1.372 1.337 2.280 1.00 0.00 O ATOM 823 CB VAL A 58 -0.253 3.473 1.464 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.460 2.549 1.279 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.678 4.919 1.178 1.00 0.00 C ATOM 0 H VAL A 58 1.978 4.436 2.196 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.532 3.531 3.627 1.00 0.00 H new ATOM 0 HB VAL A 58 0.540 3.182 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.827 2.630 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.164 1.519 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.250 2.839 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.046 4.994 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.468 5.210 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.178 5.582 1.305 1.00 0.00 H new ATOM 835 N PRO A 59 0.717 1.519 4.418 1.00 0.00 N ATOM 836 CA PRO A 59 1.248 0.183 4.818 1.00 0.00 C ATOM 837 C PRO A 59 0.486 -0.912 4.091 1.00 0.00 C ATOM 838 O PRO A 59 -0.506 -1.436 4.565 1.00 0.00 O ATOM 839 CB PRO A 59 1.021 0.138 6.329 1.00 0.00 C ATOM 840 CG PRO A 59 -0.094 1.101 6.567 1.00 0.00 C ATOM 841 CD PRO A 59 0.074 2.197 5.548 1.00 0.00 C ATOM 0 HA PRO A 59 2.298 0.032 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.756 -0.866 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.919 0.428 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.062 0.611 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.053 1.501 7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.885 2.630 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.690 3.010 5.931 1.00 0.00 H new ATOM 849 N VAL A 60 0.949 -1.236 2.923 1.00 0.00 N ATOM 850 CA VAL A 60 0.276 -2.281 2.102 1.00 0.00 C ATOM 851 C VAL A 60 0.921 -3.647 2.311 1.00 0.00 C ATOM 852 O VAL A 60 2.056 -3.866 1.931 1.00 0.00 O ATOM 853 CB VAL A 60 0.448 -1.853 0.634 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.451 -0.653 0.331 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.910 -1.482 0.342 1.00 0.00 C ATOM 0 H VAL A 60 1.775 -0.819 2.493 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.773 -2.370 2.385 1.00 0.00 H new ATOM 0 HB VAL A 60 0.165 -2.692 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.323 -0.356 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.492 -0.925 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.179 0.179 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.008 -1.183 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.211 -0.656 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.549 -2.344 0.534 1.00 0.00 H new ATOM 865 N TYR A 61 0.205 -4.586 2.874 1.00 0.00 N ATOM 866 CA TYR A 61 0.800 -5.936 3.030 1.00 0.00 C ATOM 867 C TYR A 61 0.830 -6.581 1.650 1.00 0.00 C ATOM 868 O TYR A 61 -0.176 -7.046 1.144 1.00 0.00 O ATOM 869 CB TYR A 61 -0.095 -6.729 3.978 1.00 0.00 C ATOM 870 CG TYR A 61 0.685 -7.932 4.447 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.152 -8.868 3.512 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.963 -8.103 5.804 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.890 -9.971 3.934 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.706 -9.206 6.230 1.00 0.00 C ATOM 875 CZ TYR A 61 2.170 -10.144 5.296 1.00 0.00 C ATOM 876 OH TYR A 61 2.904 -11.234 5.718 1.00 0.00 O ATOM 0 H TYR A 61 -0.747 -4.476 3.225 1.00 0.00 H new ATOM 0 HA TYR A 61 1.811 -5.902 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.394 -6.113 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.009 -7.040 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.939 -8.733 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.604 -7.383 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.246 -10.692 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.924 -9.337 7.280 1.00 0.00 H new ATOM 0 HH TYR A 61 3.008 -11.201 6.692 1.00 0.00 H new ATOM 886 N ILE A 62 1.967 -6.568 1.020 1.00 0.00 N ATOM 887 CA ILE A 62 2.067 -7.131 -0.350 1.00 0.00 C ATOM 888 C ILE A 62 2.273 -8.641 -0.333 1.00 0.00 C ATOM 889 O ILE A 62 3.061 -9.166 0.424 1.00 0.00 O ATOM 890 CB ILE A 62 3.291 -6.453 -0.961 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.120 -4.930 -0.901 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.462 -6.909 -2.415 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.157 -4.344 0.058 1.00 0.00 C ATOM 0 H ILE A 62 2.836 -6.190 1.397 1.00 0.00 H new ATOM 0 HA ILE A 62 1.150 -6.954 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 62 4.181 -6.732 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.242 -4.499 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.114 -4.678 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.336 -6.423 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.596 -7.990 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.575 -6.638 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.039 -3.261 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.013 -4.767 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.159 -4.585 -0.298 1.00 0.00 H new ATOM 905 N THR A 63 1.597 -9.323 -1.215 1.00 0.00 N ATOM 906 CA THR A 63 1.768 -10.796 -1.342 1.00 0.00 C ATOM 907 C THR A 63 2.599 -11.038 -2.612 1.00 0.00 C ATOM 908 O THR A 63 3.352 -10.176 -3.028 1.00 0.00 O ATOM 909 CB THR A 63 0.350 -11.385 -1.473 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.194 -11.073 -2.752 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.557 -10.818 -0.375 1.00 0.00 C ATOM 0 H THR A 63 0.923 -8.915 -1.863 1.00 0.00 H new ATOM 0 HA THR A 63 2.275 -11.258 -0.495 1.00 0.00 H new ATOM 0 HB THR A 63 0.410 -12.468 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.094 -11.453 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.557 -11.240 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.150 -11.077 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.609 -9.733 -0.470 1.00 0.00 H new ATOM 919 N GLU A 64 2.478 -12.174 -3.243 1.00 0.00 N ATOM 920 CA GLU A 64 3.279 -12.402 -4.485 1.00 0.00 C ATOM 921 C GLU A 64 2.500 -11.942 -5.738 1.00 0.00 C ATOM 922 O GLU A 64 2.984 -12.068 -6.847 1.00 0.00 O ATOM 923 CB GLU A 64 3.534 -13.912 -4.530 1.00 0.00 C ATOM 924 CG GLU A 64 4.750 -14.203 -5.416 1.00 0.00 C ATOM 925 CD GLU A 64 6.037 -13.829 -4.673 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.545 -14.667 -3.946 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.494 -12.710 -4.845 1.00 0.00 O ATOM 0 H GLU A 64 1.871 -12.944 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 64 4.208 -11.832 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.706 -14.292 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.656 -14.428 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.770 -15.259 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.678 -13.637 -6.345 1.00 0.00 H new ATOM 934 N ASN A 65 1.298 -11.424 -5.576 1.00 0.00 N ATOM 935 CA ASN A 65 0.500 -10.978 -6.769 1.00 0.00 C ATOM 936 C ASN A 65 0.010 -9.520 -6.631 1.00 0.00 C ATOM 937 O ASN A 65 -0.505 -8.951 -7.576 1.00 0.00 O ATOM 938 CB ASN A 65 -0.692 -11.937 -6.814 1.00 0.00 C ATOM 939 CG ASN A 65 -1.310 -11.925 -8.216 1.00 0.00 C ATOM 940 OD1 ASN A 65 -0.869 -12.641 -9.092 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.319 -11.135 -8.464 1.00 0.00 N ATOM 0 H ASN A 65 0.839 -11.292 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 65 1.102 -11.000 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.370 -12.946 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.437 -11.642 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.738 -11.119 -9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.689 -10.534 -7.728 1.00 0.00 H new ATOM 948 N MET A 66 0.165 -8.907 -5.480 1.00 0.00 N ATOM 949 CA MET A 66 -0.292 -7.492 -5.309 1.00 0.00 C ATOM 950 C MET A 66 0.818 -6.521 -5.746 1.00 0.00 C ATOM 951 O MET A 66 0.555 -5.406 -6.148 1.00 0.00 O ATOM 952 CB MET A 66 -0.595 -7.357 -3.816 1.00 0.00 C ATOM 953 CG MET A 66 -1.756 -8.281 -3.436 1.00 0.00 C ATOM 954 SD MET A 66 -3.321 -7.386 -3.606 1.00 0.00 S ATOM 955 CE MET A 66 -4.408 -8.724 -3.059 1.00 0.00 C ATOM 0 H MET A 66 0.588 -9.327 -4.652 1.00 0.00 H new ATOM 0 HA MET A 66 -1.165 -7.254 -5.917 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.290 -7.610 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.848 -6.324 -3.579 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.758 -9.163 -4.077 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.635 -8.632 -2.411 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.444 -8.385 -3.085 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.290 -9.582 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.146 -9.012 -2.041 1.00 0.00 H new ATOM 965 N VAL A 67 2.058 -6.947 -5.674 1.00 0.00 N ATOM 966 CA VAL A 67 3.207 -6.068 -6.080 1.00 0.00 C ATOM 967 C VAL A 67 3.200 -5.779 -7.591 1.00 0.00 C ATOM 968 O VAL A 67 2.556 -6.463 -8.366 1.00 0.00 O ATOM 969 CB VAL A 67 4.467 -6.866 -5.718 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.417 -8.253 -6.372 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.703 -6.123 -6.229 1.00 0.00 C ATOM 0 H VAL A 67 2.327 -7.875 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 67 3.152 -5.102 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 67 4.517 -6.976 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.315 -8.812 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.538 -8.791 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.362 -8.143 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.599 -6.688 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.640 -6.014 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.752 -5.137 -5.767 1.00 0.00 H new ATOM 981 N GLY A 68 3.952 -4.782 -8.009 1.00 0.00 N ATOM 982 CA GLY A 68 4.043 -4.455 -9.461 1.00 0.00 C ATOM 983 C GLY A 68 3.583 -3.022 -9.744 1.00 0.00 C ATOM 984 O GLY A 68 3.774 -2.524 -10.837 1.00 0.00 O ATOM 0 H GLY A 68 4.507 -4.182 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.071 -4.582 -9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.431 -5.154 -10.031 1.00 0.00 H new ATOM 988 N HIS A 69 2.963 -2.352 -8.799 1.00 0.00 N ATOM 989 CA HIS A 69 2.491 -0.969 -9.074 1.00 0.00 C ATOM 990 C HIS A 69 3.109 0.030 -8.090 1.00 0.00 C ATOM 991 O HIS A 69 4.106 0.661 -8.382 1.00 0.00 O ATOM 992 CB HIS A 69 0.967 -1.040 -8.909 1.00 0.00 C ATOM 993 CG HIS A 69 0.385 -1.933 -9.979 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.652 -3.235 -10.339 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.612 -1.501 -10.839 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 -0.164 -3.602 -11.405 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.905 -2.522 -11.666 1.00 0.00 N flip ATOM 0 H HIS A 69 2.768 -2.704 -7.862 1.00 0.00 H new ATOM 0 HA HIS A 69 2.780 -0.624 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.715 -1.426 -7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.536 -0.041 -8.980 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.071 -0.523 -10.845 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.192 -4.555 -11.912 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.608 -2.476 -12.403 1.00 0.00 H new ATOM 1005 N LYS A 70 2.511 0.186 -6.936 1.00 0.00 N ATOM 1006 CA LYS A 70 3.036 1.152 -5.909 1.00 0.00 C ATOM 1007 C LYS A 70 2.127 1.164 -4.676 1.00 0.00 C ATOM 1008 O LYS A 70 2.564 1.390 -3.565 1.00 0.00 O ATOM 1009 CB LYS A 70 3.055 2.544 -6.569 1.00 0.00 C ATOM 1010 CG LYS A 70 1.851 2.716 -7.500 1.00 0.00 C ATOM 1011 CD LYS A 70 0.696 3.378 -6.745 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.153 4.198 -7.723 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.070 3.213 -8.367 1.00 0.00 N ATOM 0 H LYS A 70 1.671 -0.319 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 70 4.034 0.863 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.041 3.317 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.979 2.672 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.130 3.324 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.536 1.746 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.081 2.619 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.085 4.022 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.713 4.975 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.472 4.697 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.821 3.720 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.533 2.625 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.496 2.607 -7.637 1.00 0.00 H new ATOM 1027 N LEU A 71 0.867 0.915 -4.902 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.167 0.888 -3.809 1.00 0.00 C ATOM 1029 C LEU A 71 -1.589 0.733 -4.404 1.00 0.00 C ATOM 1030 O LEU A 71 -2.522 0.418 -3.691 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.045 2.231 -3.056 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.762 3.351 -3.822 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.130 3.614 -3.186 1.00 0.00 C ATOM 1034 CD2 LEU A 71 0.079 4.630 -3.757 1.00 0.00 C ATOM 0 H LEU A 71 0.491 0.721 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.004 0.043 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.473 2.134 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.007 2.487 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.895 3.050 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.638 4.410 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.731 2.705 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.996 3.914 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.428 5.427 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.210 4.927 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.054 4.447 -4.208 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.762 0.954 -5.697 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.113 0.824 -6.324 1.00 0.00 C ATOM 1048 C GLY A 72 -3.525 -0.650 -6.406 1.00 0.00 C ATOM 1049 O GLY A 72 -4.688 -0.962 -6.564 1.00 0.00 O ATOM 0 H GLY A 72 -1.016 1.220 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.846 1.381 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.101 1.261 -7.323 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.589 -1.557 -6.279 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.938 -3.011 -6.326 1.00 0.00 C ATOM 1055 C GLU A 73 -3.391 -3.463 -4.942 1.00 0.00 C ATOM 1056 O GLU A 73 -4.069 -4.461 -4.789 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.645 -3.729 -6.702 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.465 -3.710 -8.216 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.009 -5.008 -8.817 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -1.296 -5.998 -8.782 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.128 -4.990 -9.303 1.00 0.00 O ATOM 0 H GLU A 73 -1.598 -1.354 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.739 -3.221 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.796 -3.245 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.672 -4.758 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.987 -2.854 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.410 -3.597 -8.465 1.00 0.00 H new ATOM 1068 N PHE A 74 -3.013 -2.719 -3.937 1.00 0.00 N ATOM 1069 CA PHE A 74 -3.397 -3.067 -2.545 1.00 0.00 C ATOM 1070 C PHE A 74 -4.530 -2.146 -2.079 1.00 0.00 C ATOM 1071 O PHE A 74 -5.218 -2.436 -1.118 1.00 0.00 O ATOM 1072 CB PHE A 74 -2.137 -2.830 -1.702 1.00 0.00 C ATOM 1073 CG PHE A 74 -0.900 -3.340 -2.419 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -0.217 -2.511 -3.322 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -0.418 -4.627 -2.160 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.934 -2.975 -3.962 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.739 -5.079 -2.794 1.00 0.00 C ATOM 1078 CZ PHE A 74 1.413 -4.257 -3.693 1.00 0.00 C ATOM 0 H PHE A 74 -2.447 -1.875 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.750 -4.094 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.029 -1.765 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.238 -3.333 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.582 -1.514 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.942 -5.271 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.453 -2.341 -4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.114 -6.071 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.308 -4.612 -4.183 1.00 0.00 H new ATOM 1088 N ALA A 75 -4.731 -1.037 -2.759 1.00 0.00 N ATOM 1089 CA ALA A 75 -5.818 -0.099 -2.365 1.00 0.00 C ATOM 1090 C ALA A 75 -6.557 0.412 -3.613 1.00 0.00 C ATOM 1091 O ALA A 75 -6.657 1.606 -3.823 1.00 0.00 O ATOM 1092 CB ALA A 75 -5.096 1.047 -1.651 1.00 0.00 C ATOM 0 H ALA A 75 -4.184 -0.747 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.569 -0.568 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.825 1.789 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.562 0.657 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.386 1.512 -2.335 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.063 -0.513 -4.404 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.802 -0.144 -5.632 1.00 0.00 C ATOM 1100 C PRO A 76 -9.281 0.101 -5.307 1.00 0.00 C ATOM 1101 O PRO A 76 -10.170 -0.411 -5.962 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.624 -1.367 -6.528 1.00 0.00 C ATOM 1103 CG PRO A 76 -7.365 -2.521 -5.599 1.00 0.00 C ATOM 1104 CD PRO A 76 -6.996 -1.969 -4.242 1.00 0.00 C ATOM 0 HA PRO A 76 -7.444 0.773 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.515 -1.543 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.793 -1.228 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.250 -3.153 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.560 -3.146 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.686 -2.314 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.998 -2.289 -3.942 1.00 0.00 H new ATOM 1112 N THR A 77 -9.540 0.885 -4.293 1.00 0.00 N ATOM 1113 CA THR A 77 -10.955 1.178 -3.902 1.00 0.00 C ATOM 1114 C THR A 77 -11.104 2.655 -3.521 1.00 0.00 C ATOM 1115 O THR A 77 -11.913 3.370 -4.082 1.00 0.00 O ATOM 1116 CB THR A 77 -11.234 0.273 -2.694 1.00 0.00 C ATOM 1117 OG1 THR A 77 -11.008 -1.084 -3.052 1.00 0.00 O ATOM 1118 CG2 THR A 77 -12.687 0.445 -2.245 1.00 0.00 C ATOM 0 H THR A 77 -8.831 1.337 -3.716 1.00 0.00 H new ATOM 0 HA THR A 77 -11.655 0.990 -4.716 1.00 0.00 H new ATOM 0 HB THR A 77 -10.567 0.550 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.185 -1.660 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.881 -0.199 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.861 1.484 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.355 0.173 -3.062 1.00 0.00 H new ATOM 1126 N ARG A 78 -10.329 3.111 -2.572 1.00 0.00 N ATOM 1127 CA ARG A 78 -10.415 4.542 -2.144 1.00 0.00 C ATOM 1128 C ARG A 78 -9.348 5.377 -2.863 1.00 0.00 C ATOM 1129 O ARG A 78 -9.638 6.421 -3.414 1.00 0.00 O ATOM 1130 CB ARG A 78 -10.159 4.526 -0.633 1.00 0.00 C ATOM 1131 CG ARG A 78 -11.369 3.927 0.090 1.00 0.00 C ATOM 1132 CD ARG A 78 -11.035 2.511 0.566 1.00 0.00 C ATOM 1133 NE ARG A 78 -12.333 1.942 1.027 1.00 0.00 N ATOM 1134 CZ ARG A 78 -12.554 1.764 2.302 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -13.102 2.719 3.010 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -12.227 0.632 2.870 1.00 0.00 N ATOM 0 H ARG A 78 -9.637 2.553 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.381 4.985 -2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.266 3.942 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.974 5.539 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.643 4.552 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.229 3.903 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.607 1.915 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.303 2.529 1.373 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.050 1.691 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.356 3.601 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.275 2.581 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.800 -0.111 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.399 0.492 3.866 1.00 0.00 H new ATOM 1150 N THR A 79 -8.120 4.919 -2.862 1.00 0.00 N ATOM 1151 CA THR A 79 -7.027 5.680 -3.548 1.00 0.00 C ATOM 1152 C THR A 79 -6.621 4.975 -4.851 1.00 0.00 C ATOM 1153 O THR A 79 -7.198 3.973 -5.232 1.00 0.00 O ATOM 1154 CB THR A 79 -5.864 5.701 -2.543 1.00 0.00 C ATOM 1155 OG1 THR A 79 -4.880 6.628 -2.980 1.00 0.00 O ATOM 1156 CG2 THR A 79 -5.237 4.308 -2.428 1.00 0.00 C ATOM 0 H THR A 79 -7.826 4.050 -2.416 1.00 0.00 H new ATOM 0 HA THR A 79 -7.335 6.688 -3.827 1.00 0.00 H new ATOM 0 HB THR A 79 -6.245 5.999 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.138 6.644 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.415 4.337 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.990 3.597 -2.087 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.860 3.997 -3.402 1.00 0.00 H new ATOM 1164 N TYR A 80 -5.631 5.494 -5.537 1.00 0.00 N ATOM 1165 CA TYR A 80 -5.182 4.860 -6.814 1.00 0.00 C ATOM 1166 C TYR A 80 -3.867 4.104 -6.594 1.00 0.00 C ATOM 1167 O TYR A 80 -2.917 4.631 -6.049 1.00 0.00 O ATOM 1168 CB TYR A 80 -4.980 6.025 -7.787 1.00 0.00 C ATOM 1169 CG TYR A 80 -4.859 5.495 -9.198 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -6.002 5.070 -9.888 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -3.604 5.427 -9.815 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -5.890 4.579 -11.193 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -3.492 4.936 -11.121 1.00 0.00 C ATOM 1174 CZ TYR A 80 -4.635 4.511 -11.810 1.00 0.00 C ATOM 1175 OH TYR A 80 -4.524 4.027 -13.098 1.00 0.00 O ATOM 0 H TYR A 80 -5.115 6.331 -5.266 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.903 4.136 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.819 6.718 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.083 6.583 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.970 5.122 -9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.722 5.753 -9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.772 4.252 -11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.524 4.885 -11.597 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.584 4.049 -13.376 1.00 0.00 H new TER 1185 TYR A 80