USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 757 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 41 LYS NZ :NH3+ 179:sc= -0.804 (180deg=-0.811) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot -47:sc= 0.595 USER MOD Set 2.2: A 64 GLN : amide:sc= -2.41! C(o=-1.8!,f=-7!) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.068 X(o=-0.14,f=0) USER MOD Set 3.2: A 61 CYS SG : rot -120:sc= -0.0671 USER MOD Set 4.1: A 29 CYS SG : rot -108:sc= -1.18 USER MOD Set 4.2: A 78 CYS SG : rot -109:sc= 0.183 USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.049 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -34:sc= 0.104 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 20 MET CE :methyl -159:sc= -0.053 (180deg=-0.972) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.145 X(o=0.14,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -6.03! C(o=-6!,f=-20!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.209 USER MOD Single : A 80 CYS SG : rot -97:sc= 1.39 USER MOD Single : A 82 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.0084) USER MOD Single : A 85 THR OG1 : rot 150:sc= 0.00201 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 42:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.672 31.396 -10.031 1.00 0.00 N ATOM 2 CA GLY A 1 15.627 30.375 -9.001 1.00 0.00 C ATOM 3 C GLY A 1 14.219 29.881 -8.735 1.00 0.00 C ATOM 4 O GLY A 1 13.245 30.572 -9.031 1.00 0.00 O ATOM 0 H1 GLY A 1 15.948 30.964 -10.936 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.733 31.833 -10.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.367 32.124 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.253 29.534 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.049 30.775 -8.079 1.00 0.00 H new ATOM 8 N SER A 2 14.111 28.680 -8.176 1.00 0.00 N ATOM 9 CA SER A 2 12.811 28.091 -7.875 1.00 0.00 C ATOM 10 C SER A 2 12.518 28.156 -6.380 1.00 0.00 C ATOM 11 O SER A 2 11.460 28.627 -5.964 1.00 0.00 O ATOM 12 CB SER A 2 12.764 26.638 -8.353 1.00 0.00 C ATOM 13 OG SER A 2 12.296 26.555 -9.688 1.00 0.00 O ATOM 0 H SER A 2 14.908 28.096 -7.922 1.00 0.00 H new ATOM 0 HA SER A 2 12.049 28.665 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.759 26.197 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.113 26.058 -7.699 1.00 0.00 H new ATOM 0 HG SER A 2 12.277 25.617 -9.970 1.00 0.00 H new ATOM 19 N SER A 3 13.463 27.680 -5.576 1.00 0.00 N ATOM 20 CA SER A 3 13.306 27.680 -4.126 1.00 0.00 C ATOM 21 C SER A 3 12.175 26.748 -3.702 1.00 0.00 C ATOM 22 O SER A 3 11.374 27.082 -2.831 1.00 0.00 O ATOM 23 CB SER A 3 13.029 29.098 -3.623 1.00 0.00 C ATOM 24 OG SER A 3 13.436 29.248 -2.274 1.00 0.00 O ATOM 0 H SER A 3 14.346 27.289 -5.904 1.00 0.00 H new ATOM 0 HA SER A 3 14.235 27.320 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.557 29.819 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.965 29.318 -3.712 1.00 0.00 H new ATOM 0 HG SER A 3 13.250 30.163 -1.976 1.00 0.00 H new ATOM 30 N GLY A 4 12.118 25.575 -4.327 1.00 0.00 N ATOM 31 CA GLY A 4 11.082 24.612 -4.002 1.00 0.00 C ATOM 32 C GLY A 4 11.568 23.180 -4.111 1.00 0.00 C ATOM 33 O GLY A 4 12.285 22.830 -5.048 1.00 0.00 O ATOM 0 H GLY A 4 12.770 25.275 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.725 24.795 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.233 24.756 -4.670 1.00 0.00 H new ATOM 37 N SER A 5 11.179 22.350 -3.148 1.00 0.00 N ATOM 38 CA SER A 5 11.583 20.949 -3.137 1.00 0.00 C ATOM 39 C SER A 5 10.970 20.197 -4.314 1.00 0.00 C ATOM 40 O SER A 5 9.791 20.363 -4.625 1.00 0.00 O ATOM 41 CB SER A 5 11.168 20.287 -1.822 1.00 0.00 C ATOM 42 OG SER A 5 9.763 20.112 -1.760 1.00 0.00 O ATOM 0 H SER A 5 10.585 22.624 -2.366 1.00 0.00 H new ATOM 0 HA SER A 5 12.668 20.909 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.663 19.320 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.499 20.899 -0.983 1.00 0.00 H new ATOM 0 HG SER A 5 9.524 19.686 -0.911 1.00 0.00 H new ATOM 48 N SER A 6 11.781 19.369 -4.966 1.00 0.00 N ATOM 49 CA SER A 6 11.320 18.593 -6.111 1.00 0.00 C ATOM 50 C SER A 6 10.452 17.422 -5.661 1.00 0.00 C ATOM 51 O SER A 6 10.663 16.854 -4.590 1.00 0.00 O ATOM 52 CB SER A 6 12.514 18.078 -6.918 1.00 0.00 C ATOM 53 OG SER A 6 13.376 19.140 -7.288 1.00 0.00 O ATOM 0 H SER A 6 12.760 19.219 -4.721 1.00 0.00 H new ATOM 0 HA SER A 6 10.718 19.246 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.066 17.346 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.159 17.566 -7.812 1.00 0.00 H new ATOM 0 HG SER A 6 14.132 18.784 -7.801 1.00 0.00 H new ATOM 59 N GLY A 7 9.474 17.066 -6.489 1.00 0.00 N ATOM 60 CA GLY A 7 8.588 15.965 -6.159 1.00 0.00 C ATOM 61 C GLY A 7 7.825 16.200 -4.871 1.00 0.00 C ATOM 62 O GLY A 7 7.272 17.278 -4.657 1.00 0.00 O ATOM 0 H GLY A 7 9.280 17.520 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.880 15.815 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.171 15.048 -6.070 1.00 0.00 H new ATOM 66 N ALA A 8 7.795 15.188 -4.010 1.00 0.00 N ATOM 67 CA ALA A 8 7.094 15.289 -2.736 1.00 0.00 C ATOM 68 C ALA A 8 7.773 14.438 -1.667 1.00 0.00 C ATOM 69 O ALA A 8 8.609 13.589 -1.975 1.00 0.00 O ATOM 70 CB ALA A 8 5.640 14.875 -2.898 1.00 0.00 C ATOM 0 H ALA A 8 8.248 14.289 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 8 7.129 16.329 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.130 14.956 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.154 15.528 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.592 13.844 -3.249 1.00 0.00 H new ATOM 76 N ARG A 9 7.407 14.672 -0.411 1.00 0.00 N ATOM 77 CA ARG A 9 7.982 13.928 0.703 1.00 0.00 C ATOM 78 C ARG A 9 6.891 13.241 1.519 1.00 0.00 C ATOM 79 O ARG A 9 5.849 13.833 1.804 1.00 0.00 O ATOM 80 CB ARG A 9 8.795 14.861 1.602 1.00 0.00 C ATOM 81 CG ARG A 9 7.962 15.945 2.266 1.00 0.00 C ATOM 82 CD ARG A 9 8.841 16.996 2.927 1.00 0.00 C ATOM 83 NE ARG A 9 9.180 16.640 4.302 1.00 0.00 N ATOM 84 CZ ARG A 9 10.040 17.326 5.048 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.643 18.398 4.553 1.00 0.00 N ATOM 86 NH2 ARG A 9 10.297 16.939 6.291 1.00 0.00 N ATOM 0 H ARG A 9 6.715 15.371 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 9 8.642 13.163 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.288 14.270 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.580 15.330 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.321 16.420 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.306 15.496 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.756 17.119 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.326 17.957 2.918 1.00 0.00 H new ATOM 0 HE ARG A 9 8.733 15.820 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.447 18.698 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.303 18.923 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.835 16.115 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.957 17.466 6.863 1.00 0.00 H new ATOM 100 N PHE A 10 7.137 11.990 1.892 1.00 0.00 N ATOM 101 CA PHE A 10 6.175 11.222 2.674 1.00 0.00 C ATOM 102 C PHE A 10 5.975 11.844 4.053 1.00 0.00 C ATOM 103 O PHE A 10 6.738 11.580 4.983 1.00 0.00 O ATOM 104 CB PHE A 10 6.644 9.773 2.819 1.00 0.00 C ATOM 105 CG PHE A 10 6.511 8.970 1.556 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.261 8.649 1.052 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.636 8.538 0.872 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.135 7.910 -0.109 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.516 7.799 -0.290 1.00 0.00 C ATOM 110 CZ PHE A 10 6.264 7.485 -0.781 1.00 0.00 C ATOM 0 H PHE A 10 7.994 11.486 1.665 1.00 0.00 H new ATOM 0 HA PHE A 10 5.221 11.237 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.687 9.767 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.068 9.291 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.375 8.980 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.618 8.781 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.155 7.665 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.401 7.467 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.168 6.908 -1.689 1.00 0.00 H new ATOM 120 N THR A 11 4.943 12.672 4.178 1.00 0.00 N ATOM 121 CA THR A 11 4.642 13.333 5.441 1.00 0.00 C ATOM 122 C THR A 11 3.888 12.402 6.383 1.00 0.00 C ATOM 123 O THR A 11 3.861 12.619 7.594 1.00 0.00 O ATOM 124 CB THR A 11 3.808 14.609 5.223 1.00 0.00 C ATOM 125 OG1 THR A 11 3.694 15.337 6.451 1.00 0.00 O ATOM 126 CG2 THR A 11 2.421 14.267 4.700 1.00 0.00 C ATOM 0 H THR A 11 4.301 12.901 3.419 1.00 0.00 H new ATOM 0 HA THR A 11 5.597 13.605 5.890 1.00 0.00 H new ATOM 0 HB THR A 11 4.317 15.226 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.661 14.708 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.851 15.184 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.510 13.740 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.907 13.631 5.421 1.00 0.00 H new ATOM 134 N GLU A 12 3.277 11.365 5.819 1.00 0.00 N ATOM 135 CA GLU A 12 2.522 10.401 6.611 1.00 0.00 C ATOM 136 C GLU A 12 3.217 9.042 6.622 1.00 0.00 C ATOM 137 O GLU A 12 3.267 8.366 7.648 1.00 0.00 O ATOM 138 CB GLU A 12 1.102 10.255 6.060 1.00 0.00 C ATOM 139 CG GLU A 12 0.222 9.328 6.882 1.00 0.00 C ATOM 140 CD GLU A 12 0.101 9.769 8.328 1.00 0.00 C ATOM 141 OE1 GLU A 12 -0.769 10.616 8.620 1.00 0.00 O ATOM 142 OE2 GLU A 12 0.877 9.266 9.168 1.00 0.00 O ATOM 0 H GLU A 12 3.290 11.171 4.818 1.00 0.00 H new ATOM 0 HA GLU A 12 2.471 10.772 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.636 11.239 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.155 9.880 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.771 9.285 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.632 8.318 6.847 1.00 0.00 H new ATOM 149 N GLY A 13 3.752 8.649 5.470 1.00 0.00 N ATOM 150 CA GLY A 13 4.436 7.373 5.367 1.00 0.00 C ATOM 151 C GLY A 13 3.491 6.196 5.501 1.00 0.00 C ATOM 152 O GLY A 13 2.401 6.325 6.060 1.00 0.00 O ATOM 0 H GLY A 13 3.724 9.191 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.949 7.316 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.201 7.311 6.141 1.00 0.00 H new ATOM 156 N LEU A 14 3.907 5.044 4.986 1.00 0.00 N ATOM 157 CA LEU A 14 3.088 3.838 5.048 1.00 0.00 C ATOM 158 C LEU A 14 3.186 3.184 6.423 1.00 0.00 C ATOM 159 O LEU A 14 4.250 3.176 7.043 1.00 0.00 O ATOM 160 CB LEU A 14 3.522 2.846 3.968 1.00 0.00 C ATOM 161 CG LEU A 14 2.946 3.081 2.571 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.755 2.328 1.526 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.484 2.662 2.520 1.00 0.00 C ATOM 0 H LEU A 14 4.806 4.920 4.521 1.00 0.00 H new ATOM 0 HA LEU A 14 2.051 4.124 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.610 2.867 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.243 1.843 4.291 1.00 0.00 H new ATOM 0 HG LEU A 14 3.006 4.146 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.330 2.507 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.788 2.676 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.728 1.260 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.090 2.836 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.400 1.603 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.913 3.246 3.241 1.00 0.00 H new ATOM 175 N ARG A 15 2.070 2.635 6.892 1.00 0.00 N ATOM 176 CA ARG A 15 2.031 1.978 8.193 1.00 0.00 C ATOM 177 C ARG A 15 1.734 0.489 8.041 1.00 0.00 C ATOM 178 O ARG A 15 1.140 0.062 7.052 1.00 0.00 O ATOM 179 CB ARG A 15 0.974 2.631 9.086 1.00 0.00 C ATOM 180 CG ARG A 15 -0.443 2.488 8.557 1.00 0.00 C ATOM 181 CD ARG A 15 -1.459 3.090 9.515 1.00 0.00 C ATOM 182 NE ARG A 15 -2.830 2.746 9.147 1.00 0.00 N ATOM 183 CZ ARG A 15 -3.900 3.208 9.784 1.00 0.00 C ATOM 184 NH1 ARG A 15 -3.759 4.029 10.815 1.00 0.00 N ATOM 185 NH2 ARG A 15 -5.115 2.849 9.389 1.00 0.00 N ATOM 0 H ARG A 15 1.182 2.632 6.391 1.00 0.00 H new ATOM 0 HA ARG A 15 3.010 2.090 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.028 2.189 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.207 3.690 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.521 2.978 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.669 1.433 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.256 2.738 10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.348 4.174 9.527 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.974 2.116 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.827 4.308 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.583 4.382 11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.228 2.218 8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.936 3.204 9.879 1.00 0.00 H new ATOM 199 N ASN A 16 2.153 -0.296 9.028 1.00 0.00 N ATOM 200 CA ASN A 16 1.933 -1.738 9.004 1.00 0.00 C ATOM 201 C ASN A 16 0.481 -2.061 8.667 1.00 0.00 C ATOM 202 O ASN A 16 -0.429 -1.311 9.019 1.00 0.00 O ATOM 203 CB ASN A 16 2.305 -2.354 10.354 1.00 0.00 C ATOM 204 CG ASN A 16 1.283 -2.046 11.431 1.00 0.00 C ATOM 205 OD1 ASN A 16 1.010 -0.884 11.729 1.00 0.00 O ATOM 206 ND2 ASN A 16 0.712 -3.090 12.021 1.00 0.00 N ATOM 0 H ASN A 16 2.647 0.042 9.854 1.00 0.00 H new ATOM 0 HA ASN A 16 2.570 -2.165 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.398 -3.434 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.280 -1.980 10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.017 -2.945 12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.969 -4.037 11.742 1.00 0.00 H new ATOM 213 N GLU A 17 0.273 -3.183 7.984 1.00 0.00 N ATOM 214 CA GLU A 17 -1.069 -3.604 7.600 1.00 0.00 C ATOM 215 C GLU A 17 -1.232 -5.113 7.759 1.00 0.00 C ATOM 216 O GLU A 17 -0.261 -5.865 7.671 1.00 0.00 O ATOM 217 CB GLU A 17 -1.361 -3.198 6.154 1.00 0.00 C ATOM 218 CG GLU A 17 -2.832 -2.931 5.882 1.00 0.00 C ATOM 219 CD GLU A 17 -3.420 -1.896 6.821 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.097 -0.700 6.664 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.205 -2.282 7.712 1.00 0.00 O ATOM 0 H GLU A 17 1.016 -3.815 7.686 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.780 -3.107 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.787 -2.303 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.014 -3.987 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.952 -2.592 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.390 -3.862 5.978 1.00 0.00 H new ATOM 228 N GLU A 18 -2.466 -5.548 7.995 1.00 0.00 N ATOM 229 CA GLU A 18 -2.755 -6.967 8.167 1.00 0.00 C ATOM 230 C GLU A 18 -3.981 -7.375 7.356 1.00 0.00 C ATOM 231 O GLU A 18 -4.990 -6.671 7.340 1.00 0.00 O ATOM 232 CB GLU A 18 -2.978 -7.289 9.646 1.00 0.00 C ATOM 233 CG GLU A 18 -3.102 -8.775 9.934 1.00 0.00 C ATOM 234 CD GLU A 18 -3.932 -9.063 11.170 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.437 -8.812 12.289 1.00 0.00 O ATOM 236 OE2 GLU A 18 -5.077 -9.539 11.019 1.00 0.00 O ATOM 0 H GLU A 18 -3.281 -4.939 8.071 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.897 -7.533 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.149 -6.883 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.883 -6.785 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.553 -9.271 9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.107 -9.201 10.062 1.00 0.00 H new ATOM 243 N ALA A 19 -3.885 -8.517 6.684 1.00 0.00 N ATOM 244 CA ALA A 19 -4.986 -9.020 5.872 1.00 0.00 C ATOM 245 C ALA A 19 -5.066 -10.542 5.937 1.00 0.00 C ATOM 246 O ALA A 19 -4.305 -11.182 6.662 1.00 0.00 O ATOM 247 CB ALA A 19 -4.832 -8.560 4.430 1.00 0.00 C ATOM 0 H ALA A 19 -3.056 -9.111 6.686 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.915 -8.615 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.661 -8.943 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.832 -7.471 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.892 -8.936 4.026 1.00 0.00 H new ATOM 253 N MET A 20 -5.993 -11.114 5.176 1.00 0.00 N ATOM 254 CA MET A 20 -6.171 -12.561 5.148 1.00 0.00 C ATOM 255 C MET A 20 -5.901 -13.116 3.753 1.00 0.00 C ATOM 256 O MET A 20 -5.989 -12.393 2.761 1.00 0.00 O ATOM 257 CB MET A 20 -7.589 -12.931 5.590 1.00 0.00 C ATOM 258 CG MET A 20 -7.801 -12.835 7.092 1.00 0.00 C ATOM 259 SD MET A 20 -9.091 -13.947 7.683 1.00 0.00 S ATOM 260 CE MET A 20 -8.106 -15.296 8.329 1.00 0.00 C ATOM 0 H MET A 20 -6.632 -10.598 4.571 1.00 0.00 H new ATOM 0 HA MET A 20 -5.455 -13.003 5.841 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.300 -12.275 5.088 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.809 -13.948 5.264 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.866 -13.065 7.603 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.063 -11.810 7.353 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.716 -16.198 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.255 -15.473 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.747 -15.039 9.326 1.00 0.00 H new ATOM 270 N GLU A 21 -5.570 -14.402 3.685 1.00 0.00 N ATOM 271 CA GLU A 21 -5.286 -15.051 2.411 1.00 0.00 C ATOM 272 C GLU A 21 -6.480 -14.943 1.467 1.00 0.00 C ATOM 273 O GLU A 21 -7.629 -15.086 1.883 1.00 0.00 O ATOM 274 CB GLU A 21 -4.926 -16.522 2.631 1.00 0.00 C ATOM 275 CG GLU A 21 -4.551 -17.254 1.354 1.00 0.00 C ATOM 276 CD GLU A 21 -5.713 -17.372 0.386 1.00 0.00 C ATOM 277 OE1 GLU A 21 -6.842 -17.648 0.844 1.00 0.00 O ATOM 278 OE2 GLU A 21 -5.493 -17.187 -0.829 1.00 0.00 O ATOM 0 H GLU A 21 -5.492 -15.014 4.497 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.437 -14.542 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.094 -16.583 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.772 -17.029 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.729 -16.729 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.189 -18.251 1.604 1.00 0.00 H new ATOM 285 N GLY A 22 -6.199 -14.691 0.192 1.00 0.00 N ATOM 286 CA GLY A 22 -7.259 -14.568 -0.791 1.00 0.00 C ATOM 287 C GLY A 22 -7.928 -13.208 -0.756 1.00 0.00 C ATOM 288 O GLY A 22 -8.674 -12.852 -1.667 1.00 0.00 O ATOM 0 H GLY A 22 -5.256 -14.570 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.849 -14.742 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.006 -15.342 -0.614 1.00 0.00 H new ATOM 292 N ALA A 23 -7.662 -12.447 0.301 1.00 0.00 N ATOM 293 CA ALA A 23 -8.243 -11.118 0.451 1.00 0.00 C ATOM 294 C ALA A 23 -7.479 -10.088 -0.374 1.00 0.00 C ATOM 295 O ALA A 23 -6.444 -10.395 -0.967 1.00 0.00 O ATOM 296 CB ALA A 23 -8.262 -10.714 1.918 1.00 0.00 C ATOM 0 H ALA A 23 -7.048 -12.728 1.066 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.268 -11.152 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.698 -9.720 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.858 -11.429 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.243 -10.703 2.306 1.00 0.00 H new ATOM 302 N THR A 24 -7.996 -8.864 -0.409 1.00 0.00 N ATOM 303 CA THR A 24 -7.364 -7.789 -1.164 1.00 0.00 C ATOM 304 C THR A 24 -6.785 -6.731 -0.232 1.00 0.00 C ATOM 305 O THR A 24 -7.515 -5.906 0.317 1.00 0.00 O ATOM 306 CB THR A 24 -8.360 -7.118 -2.128 1.00 0.00 C ATOM 307 OG1 THR A 24 -8.985 -8.107 -2.953 1.00 0.00 O ATOM 308 CG2 THR A 24 -7.658 -6.090 -3.003 1.00 0.00 C ATOM 0 H THR A 24 -8.851 -8.592 0.077 1.00 0.00 H new ATOM 0 HA THR A 24 -6.558 -8.240 -1.743 1.00 0.00 H new ATOM 0 HB THR A 24 -9.119 -6.608 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.618 -7.672 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.382 -5.630 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.208 -5.322 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.880 -6.581 -3.588 1.00 0.00 H new ATOM 316 N ALA A 25 -5.467 -6.759 -0.058 1.00 0.00 N ATOM 317 CA ALA A 25 -4.790 -5.800 0.806 1.00 0.00 C ATOM 318 C ALA A 25 -5.042 -4.369 0.341 1.00 0.00 C ATOM 319 O ALA A 25 -5.054 -4.087 -0.858 1.00 0.00 O ATOM 320 CB ALA A 25 -3.297 -6.088 0.845 1.00 0.00 C ATOM 0 H ALA A 25 -4.848 -7.435 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.196 -5.905 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.804 -5.364 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.130 -7.094 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.885 -6.013 -0.162 1.00 0.00 H new ATOM 326 N THR A 26 -5.246 -3.469 1.298 1.00 0.00 N ATOM 327 CA THR A 26 -5.500 -2.068 0.987 1.00 0.00 C ATOM 328 C THR A 26 -4.563 -1.152 1.767 1.00 0.00 C ATOM 329 O THR A 26 -4.717 -0.975 2.976 1.00 0.00 O ATOM 330 CB THR A 26 -6.957 -1.679 1.298 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.846 -2.709 0.851 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.321 -0.362 0.628 1.00 0.00 C ATOM 0 H THR A 26 -5.240 -3.686 2.295 1.00 0.00 H new ATOM 0 HA THR A 26 -5.319 -1.944 -0.081 1.00 0.00 H new ATOM 0 HB THR A 26 -7.055 -1.559 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.607 -2.974 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.355 -0.108 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.662 0.426 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.207 -0.459 -0.452 1.00 0.00 H new ATOM 340 N LEU A 27 -3.593 -0.573 1.070 1.00 0.00 N ATOM 341 CA LEU A 27 -2.631 0.326 1.698 1.00 0.00 C ATOM 342 C LEU A 27 -2.972 1.783 1.400 1.00 0.00 C ATOM 343 O LEU A 27 -3.357 2.123 0.282 1.00 0.00 O ATOM 344 CB LEU A 27 -1.216 0.012 1.210 1.00 0.00 C ATOM 345 CG LEU A 27 -0.583 -1.265 1.765 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.493 -1.781 0.822 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.006 -1.016 3.151 1.00 0.00 C ATOM 0 H LEU A 27 -3.451 -0.710 0.069 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.679 0.174 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.236 -0.059 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.571 0.853 1.463 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.359 -2.026 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.932 -2.690 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.051 -1.999 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.269 -1.024 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.440 -1.936 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.757 -0.240 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.801 -0.694 3.824 1.00 0.00 H new ATOM 359 N GLN A 28 -2.825 2.638 2.407 1.00 0.00 N ATOM 360 CA GLN A 28 -3.116 4.058 2.252 1.00 0.00 C ATOM 361 C GLN A 28 -1.956 4.910 2.757 1.00 0.00 C ATOM 362 O GLN A 28 -1.378 4.628 3.807 1.00 0.00 O ATOM 363 CB GLN A 28 -4.398 4.423 3.004 1.00 0.00 C ATOM 364 CG GLN A 28 -5.142 5.602 2.400 1.00 0.00 C ATOM 365 CD GLN A 28 -6.597 5.653 2.823 1.00 0.00 C ATOM 366 OE1 GLN A 28 -6.982 6.462 3.668 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.415 4.787 2.237 1.00 0.00 N ATOM 0 H GLN A 28 -2.506 2.372 3.339 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.256 4.260 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.059 3.557 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.149 4.653 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.649 6.528 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.085 5.544 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.053 4.134 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.405 4.775 2.482 1.00 0.00 H new ATOM 376 N CYS A 29 -1.622 5.951 2.003 1.00 0.00 N ATOM 377 CA CYS A 29 -0.529 6.844 2.374 1.00 0.00 C ATOM 378 C CYS A 29 -0.866 8.289 2.023 1.00 0.00 C ATOM 379 O CYS A 29 -1.767 8.551 1.227 1.00 0.00 O ATOM 380 CB CYS A 29 0.762 6.422 1.671 1.00 0.00 C ATOM 381 SG CYS A 29 0.553 6.024 -0.081 1.00 0.00 S ATOM 0 H CYS A 29 -2.091 6.198 1.132 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.385 6.776 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.493 7.225 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.175 5.553 2.183 1.00 0.00 H new ATOM 0 HG CYS A 29 0.672 4.741 -0.252 1.00 0.00 H new ATOM 387 N GLU A 30 -0.136 9.224 2.623 1.00 0.00 N ATOM 388 CA GLU A 30 -0.359 10.643 2.375 1.00 0.00 C ATOM 389 C GLU A 30 0.949 11.347 2.025 1.00 0.00 C ATOM 390 O GLU A 30 1.993 11.073 2.619 1.00 0.00 O ATOM 391 CB GLU A 30 -0.994 11.304 3.601 1.00 0.00 C ATOM 392 CG GLU A 30 -1.862 12.505 3.263 1.00 0.00 C ATOM 393 CD GLU A 30 -2.909 12.784 4.324 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.679 11.859 4.657 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.959 13.929 4.821 1.00 0.00 O ATOM 0 H GLU A 30 0.615 9.024 3.284 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.039 10.735 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.598 10.566 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.205 11.617 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.229 13.384 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.356 12.334 2.306 1.00 0.00 H new ATOM 402 N LEU A 31 0.885 12.255 1.058 1.00 0.00 N ATOM 403 CA LEU A 31 2.063 12.999 0.627 1.00 0.00 C ATOM 404 C LEU A 31 1.890 14.492 0.885 1.00 0.00 C ATOM 405 O LEU A 31 0.780 15.020 0.811 1.00 0.00 O ATOM 406 CB LEU A 31 2.330 12.754 -0.860 1.00 0.00 C ATOM 407 CG LEU A 31 2.537 11.297 -1.274 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.179 11.102 -2.739 1.00 0.00 C ATOM 409 CD2 LEU A 31 3.973 10.867 -1.012 1.00 0.00 C ATOM 0 H LEU A 31 0.029 12.494 0.557 1.00 0.00 H new ATOM 0 HA LEU A 31 2.916 12.646 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.493 13.157 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.215 13.322 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 31 1.876 10.672 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.333 10.059 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.134 11.369 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.813 11.738 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.102 9.827 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.652 11.498 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.195 10.968 0.050 1.00 0.00 H new ATOM 421 N SER A 32 2.994 15.168 1.187 1.00 0.00 N ATOM 422 CA SER A 32 2.964 16.600 1.457 1.00 0.00 C ATOM 423 C SER A 32 2.093 17.327 0.437 1.00 0.00 C ATOM 424 O SER A 32 1.570 18.409 0.708 1.00 0.00 O ATOM 425 CB SER A 32 4.381 17.175 1.437 1.00 0.00 C ATOM 426 OG SER A 32 4.381 18.546 1.792 1.00 0.00 O ATOM 0 H SER A 32 3.921 14.746 1.251 1.00 0.00 H new ATOM 0 HA SER A 32 2.534 16.749 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.013 16.617 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.812 17.054 0.443 1.00 0.00 H new ATOM 0 HG SER A 32 5.299 18.889 1.773 1.00 0.00 H new ATOM 432 N LYS A 33 1.941 16.726 -0.738 1.00 0.00 N ATOM 433 CA LYS A 33 1.133 17.313 -1.800 1.00 0.00 C ATOM 434 C LYS A 33 0.953 16.331 -2.953 1.00 0.00 C ATOM 435 O LYS A 33 1.789 15.454 -3.169 1.00 0.00 O ATOM 436 CB LYS A 33 1.784 18.601 -2.310 1.00 0.00 C ATOM 437 CG LYS A 33 3.182 18.397 -2.867 1.00 0.00 C ATOM 438 CD LYS A 33 3.703 19.656 -3.541 1.00 0.00 C ATOM 439 CE LYS A 33 5.220 19.736 -3.475 1.00 0.00 C ATOM 440 NZ LYS A 33 5.724 21.072 -3.897 1.00 0.00 N ATOM 0 H LYS A 33 2.368 15.831 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 33 0.151 17.547 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.153 19.035 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.829 19.323 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.857 18.109 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.173 17.576 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.382 19.672 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.270 20.533 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.551 19.528 -2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.652 18.966 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.762 21.086 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.430 21.260 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.332 21.804 -3.271 1.00 0.00 H new ATOM 454 N ALA A 34 -0.142 16.485 -3.690 1.00 0.00 N ATOM 455 CA ALA A 34 -0.429 15.614 -4.823 1.00 0.00 C ATOM 456 C ALA A 34 0.821 15.376 -5.663 1.00 0.00 C ATOM 457 O ALA A 34 1.474 16.321 -6.103 1.00 0.00 O ATOM 458 CB ALA A 34 -1.537 16.209 -5.679 1.00 0.00 C ATOM 0 H ALA A 34 -0.845 17.205 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.762 14.652 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.741 15.548 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.440 16.321 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.225 17.185 -6.051 1.00 0.00 H new ATOM 464 N ALA A 35 1.148 14.106 -5.882 1.00 0.00 N ATOM 465 CA ALA A 35 2.319 13.744 -6.671 1.00 0.00 C ATOM 466 C ALA A 35 2.273 12.276 -7.081 1.00 0.00 C ATOM 467 O ALA A 35 1.720 11.428 -6.380 1.00 0.00 O ATOM 468 CB ALA A 35 3.592 14.036 -5.890 1.00 0.00 C ATOM 0 H ALA A 35 0.618 13.311 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 35 2.316 14.348 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.459 13.761 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.638 15.099 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.593 13.458 -4.966 1.00 0.00 H new ATOM 474 N PRO A 36 2.865 11.967 -8.244 1.00 0.00 N ATOM 475 CA PRO A 36 2.904 10.601 -8.773 1.00 0.00 C ATOM 476 C PRO A 36 3.811 9.688 -7.955 1.00 0.00 C ATOM 477 O PRO A 36 5.008 9.943 -7.822 1.00 0.00 O ATOM 478 CB PRO A 36 3.464 10.784 -10.186 1.00 0.00 C ATOM 479 CG PRO A 36 4.253 12.045 -10.121 1.00 0.00 C ATOM 480 CD PRO A 36 3.543 12.927 -9.131 1.00 0.00 C ATOM 0 HA PRO A 36 1.924 10.125 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.090 9.940 -10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.664 10.855 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.277 11.849 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.308 12.522 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.242 13.558 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.832 13.592 -9.622 1.00 0.00 H new ATOM 488 N VAL A 37 3.234 8.622 -7.409 1.00 0.00 N ATOM 489 CA VAL A 37 3.991 7.670 -6.605 1.00 0.00 C ATOM 490 C VAL A 37 4.158 6.343 -7.338 1.00 0.00 C ATOM 491 O VAL A 37 3.430 6.051 -8.286 1.00 0.00 O ATOM 492 CB VAL A 37 3.308 7.412 -5.249 1.00 0.00 C ATOM 493 CG1 VAL A 37 2.927 8.727 -4.585 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.087 6.523 -5.428 1.00 0.00 C ATOM 0 H VAL A 37 2.244 8.396 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 37 4.972 8.112 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 37 4.013 6.895 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.446 8.525 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.823 9.325 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.239 9.274 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.617 6.351 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.376 7.011 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.392 5.569 -5.858 1.00 0.00 H new ATOM 504 N GLU A 38 5.122 5.544 -6.891 1.00 0.00 N ATOM 505 CA GLU A 38 5.385 4.248 -7.505 1.00 0.00 C ATOM 506 C GLU A 38 5.632 3.182 -6.441 1.00 0.00 C ATOM 507 O GLU A 38 6.377 3.404 -5.486 1.00 0.00 O ATOM 508 CB GLU A 38 6.592 4.338 -8.441 1.00 0.00 C ATOM 509 CG GLU A 38 6.744 3.134 -9.355 1.00 0.00 C ATOM 510 CD GLU A 38 5.969 3.283 -10.651 1.00 0.00 C ATOM 511 OE1 GLU A 38 4.765 3.608 -10.587 1.00 0.00 O ATOM 512 OE2 GLU A 38 6.566 3.076 -11.727 1.00 0.00 O ATOM 0 H GLU A 38 5.733 5.771 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 38 4.506 3.964 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.502 5.237 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.497 4.447 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.800 2.986 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.402 2.241 -8.832 1.00 0.00 H new ATOM 519 N TRP A 39 5.000 2.027 -6.613 1.00 0.00 N ATOM 520 CA TRP A 39 5.150 0.926 -5.667 1.00 0.00 C ATOM 521 C TRP A 39 6.097 -0.136 -6.214 1.00 0.00 C ATOM 522 O TRP A 39 6.120 -0.400 -7.416 1.00 0.00 O ATOM 523 CB TRP A 39 3.788 0.302 -5.360 1.00 0.00 C ATOM 524 CG TRP A 39 2.761 1.303 -4.921 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.164 2.257 -5.695 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.214 1.449 -3.607 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.278 2.988 -4.940 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.289 2.511 -3.656 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.412 0.785 -2.393 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.568 2.922 -2.538 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.696 1.195 -1.285 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.783 2.255 -1.363 1.00 0.00 C ATOM 0 H TRP A 39 4.379 1.828 -7.398 1.00 0.00 H new ATOM 0 HA TRP A 39 5.575 1.326 -4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.425 -0.215 -6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.908 -0.450 -4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.359 2.414 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.705 3.760 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.112 -0.034 -2.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.136 3.739 -2.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.843 0.690 -0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.239 2.551 -0.479 1.00 0.00 H new ATOM 543 N ARG A 40 6.877 -0.741 -5.324 1.00 0.00 N ATOM 544 CA ARG A 40 7.828 -1.774 -5.719 1.00 0.00 C ATOM 545 C ARG A 40 7.853 -2.908 -4.698 1.00 0.00 C ATOM 546 O ARG A 40 7.299 -2.787 -3.606 1.00 0.00 O ATOM 547 CB ARG A 40 9.228 -1.178 -5.870 1.00 0.00 C ATOM 548 CG ARG A 40 9.389 -0.306 -7.105 1.00 0.00 C ATOM 549 CD ARG A 40 10.526 0.690 -6.939 1.00 0.00 C ATOM 550 NE ARG A 40 10.587 1.640 -8.046 1.00 0.00 N ATOM 551 CZ ARG A 40 11.112 1.354 -9.233 1.00 0.00 C ATOM 552 NH1 ARG A 40 11.618 0.150 -9.464 1.00 0.00 N ATOM 553 NH2 ARG A 40 11.130 2.272 -10.190 1.00 0.00 N ATOM 0 H ARG A 40 6.869 -0.534 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 40 7.508 -2.179 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.459 -0.586 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.956 -1.988 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.579 -0.936 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.459 0.230 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.399 1.233 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.472 0.152 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 40 10.206 2.575 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.605 -0.558 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.020 -0.068 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.741 3.198 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.533 2.052 -11.101 1.00 0.00 H new ATOM 567 N LYS A 41 8.500 -4.010 -5.062 1.00 0.00 N ATOM 568 CA LYS A 41 8.599 -5.166 -4.179 1.00 0.00 C ATOM 569 C LYS A 41 9.787 -6.043 -4.563 1.00 0.00 C ATOM 570 O LYS A 41 10.114 -6.182 -5.741 1.00 0.00 O ATOM 571 CB LYS A 41 7.308 -5.987 -4.232 1.00 0.00 C ATOM 572 CG LYS A 41 7.013 -6.739 -2.946 1.00 0.00 C ATOM 573 CD LYS A 41 6.078 -7.912 -3.188 1.00 0.00 C ATOM 574 CE LYS A 41 6.225 -8.974 -2.109 1.00 0.00 C ATOM 575 NZ LYS A 41 5.221 -10.063 -2.262 1.00 0.00 N ATOM 0 H LYS A 41 8.964 -4.127 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 41 8.750 -4.803 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.473 -5.322 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.374 -6.701 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.946 -7.099 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.566 -6.060 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.047 -7.558 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.288 -8.351 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.229 -9.397 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.114 -8.513 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.365 -10.775 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.263 -9.666 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.332 -10.509 -3.195 1.00 0.00 H new ATOM 589 N GLY A 42 10.428 -6.635 -3.560 1.00 0.00 N ATOM 590 CA GLY A 42 11.572 -7.492 -3.813 1.00 0.00 C ATOM 591 C GLY A 42 12.443 -6.978 -4.942 1.00 0.00 C ATOM 592 O GLY A 42 12.829 -7.735 -5.833 1.00 0.00 O ATOM 0 H GLY A 42 10.176 -6.537 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.170 -7.573 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.223 -8.496 -4.055 1.00 0.00 H new ATOM 596 N LEU A 43 12.753 -5.687 -4.906 1.00 0.00 N ATOM 597 CA LEU A 43 13.584 -5.071 -5.935 1.00 0.00 C ATOM 598 C LEU A 43 12.966 -5.258 -7.317 1.00 0.00 C ATOM 599 O LEU A 43 13.671 -5.523 -8.291 1.00 0.00 O ATOM 600 CB LEU A 43 14.991 -5.668 -5.907 1.00 0.00 C ATOM 601 CG LEU A 43 15.929 -5.127 -4.827 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.761 -5.909 -3.534 1.00 0.00 C ATOM 603 CD2 LEU A 43 17.374 -5.180 -5.301 1.00 0.00 C ATOM 0 H LEU A 43 12.442 -5.046 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 43 13.646 -4.003 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.904 -6.747 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.454 -5.501 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 43 15.669 -4.086 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.436 -5.510 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.732 -5.819 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.994 -6.959 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.028 -4.791 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.647 -6.212 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.484 -4.575 -6.201 1.00 0.00 H new ATOM 615 N GLU A 44 11.647 -5.116 -7.395 1.00 0.00 N ATOM 616 CA GLU A 44 10.936 -5.269 -8.659 1.00 0.00 C ATOM 617 C GLU A 44 10.044 -4.061 -8.930 1.00 0.00 C ATOM 618 O GLU A 44 9.601 -3.382 -8.004 1.00 0.00 O ATOM 619 CB GLU A 44 10.093 -6.546 -8.645 1.00 0.00 C ATOM 620 CG GLU A 44 9.470 -6.878 -9.990 1.00 0.00 C ATOM 621 CD GLU A 44 10.445 -7.553 -10.934 1.00 0.00 C ATOM 622 OE1 GLU A 44 11.574 -7.040 -11.086 1.00 0.00 O ATOM 623 OE2 GLU A 44 10.081 -8.593 -11.521 1.00 0.00 O ATOM 0 H GLU A 44 11.049 -4.895 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 44 11.676 -5.340 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.718 -7.381 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.301 -6.441 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.609 -7.529 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.099 -5.962 -10.450 1.00 0.00 H new ATOM 630 N ALA A 45 9.785 -3.799 -10.207 1.00 0.00 N ATOM 631 CA ALA A 45 8.945 -2.674 -10.602 1.00 0.00 C ATOM 632 C ALA A 45 7.516 -3.128 -10.880 1.00 0.00 C ATOM 633 O ALA A 45 7.248 -3.791 -11.882 1.00 0.00 O ATOM 634 CB ALA A 45 9.529 -1.983 -11.825 1.00 0.00 C ATOM 0 H ALA A 45 10.145 -4.350 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 45 8.919 -1.964 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.892 -1.145 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.529 -1.616 -11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.585 -2.692 -12.651 1.00 0.00 H new ATOM 640 N LEU A 46 6.602 -2.766 -9.987 1.00 0.00 N ATOM 641 CA LEU A 46 5.199 -3.137 -10.136 1.00 0.00 C ATOM 642 C LEU A 46 4.487 -2.196 -11.103 1.00 0.00 C ATOM 643 O LEU A 46 4.849 -1.026 -11.225 1.00 0.00 O ATOM 644 CB LEU A 46 4.498 -3.114 -8.776 1.00 0.00 C ATOM 645 CG LEU A 46 5.159 -3.933 -7.667 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.735 -3.419 -6.299 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.815 -5.408 -7.814 1.00 0.00 C ATOM 0 H LEU A 46 6.807 -2.216 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 46 5.157 -4.147 -10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.428 -2.078 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.478 -3.476 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 46 6.240 -3.822 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.215 -4.014 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.033 -2.376 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.652 -3.499 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.294 -5.975 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.734 -5.537 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.169 -5.770 -8.779 1.00 0.00 H new ATOM 659 N ARG A 47 3.472 -2.715 -11.786 1.00 0.00 N ATOM 660 CA ARG A 47 2.708 -1.921 -12.741 1.00 0.00 C ATOM 661 C ARG A 47 1.210 -2.050 -12.481 1.00 0.00 C ATOM 662 O ARG A 47 0.789 -2.738 -11.551 1.00 0.00 O ATOM 663 CB ARG A 47 3.028 -2.360 -14.171 1.00 0.00 C ATOM 664 CG ARG A 47 2.407 -3.694 -14.552 1.00 0.00 C ATOM 665 CD ARG A 47 3.186 -4.372 -15.668 1.00 0.00 C ATOM 666 NE ARG A 47 3.161 -3.594 -16.904 1.00 0.00 N ATOM 667 CZ ARG A 47 2.159 -3.631 -17.775 1.00 0.00 C ATOM 668 NH1 ARG A 47 1.105 -4.403 -17.547 1.00 0.00 N ATOM 669 NH2 ARG A 47 2.209 -2.894 -18.878 1.00 0.00 N ATOM 0 H ARG A 47 3.160 -3.682 -11.696 1.00 0.00 H new ATOM 0 HA ARG A 47 2.992 -0.876 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.678 -1.595 -14.864 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.110 -2.426 -14.288 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.378 -4.346 -13.679 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.376 -3.539 -14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.219 -4.518 -15.352 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.767 -5.361 -15.854 1.00 0.00 H new ATOM 0 HE ARG A 47 3.956 -2.989 -17.109 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.062 -4.971 -16.701 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.337 -4.429 -18.218 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.018 -2.299 -19.057 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.439 -2.923 -19.546 1.00 0.00 H new ATOM 683 N ASP A 48 0.412 -1.383 -13.307 1.00 0.00 N ATOM 684 CA ASP A 48 -1.039 -1.423 -13.167 1.00 0.00 C ATOM 685 C ASP A 48 -1.669 -2.262 -14.274 1.00 0.00 C ATOM 686 O ASP A 48 -1.311 -2.134 -15.444 1.00 0.00 O ATOM 687 CB ASP A 48 -1.614 -0.006 -13.194 1.00 0.00 C ATOM 688 CG ASP A 48 -0.950 0.869 -14.239 1.00 0.00 C ATOM 689 OD1 ASP A 48 -1.405 0.853 -15.402 1.00 0.00 O ATOM 690 OD2 ASP A 48 0.026 1.569 -13.895 1.00 0.00 O ATOM 0 H ASP A 48 0.745 -0.808 -14.081 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.274 -1.884 -12.208 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.685 -0.055 -13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.493 0.451 -12.212 1.00 0.00 H new ATOM 695 N GLY A 49 -2.608 -3.123 -13.895 1.00 0.00 N ATOM 696 CA GLY A 49 -3.272 -3.972 -14.867 1.00 0.00 C ATOM 697 C GLY A 49 -4.388 -4.794 -14.252 1.00 0.00 C ATOM 698 O GLY A 49 -5.526 -4.336 -14.157 1.00 0.00 O ATOM 0 H GLY A 49 -2.921 -3.248 -12.932 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.679 -3.354 -15.667 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.540 -4.640 -15.321 1.00 0.00 H new ATOM 702 N ASP A 50 -4.062 -6.013 -13.835 1.00 0.00 N ATOM 703 CA ASP A 50 -5.045 -6.902 -13.227 1.00 0.00 C ATOM 704 C ASP A 50 -4.595 -7.341 -11.837 1.00 0.00 C ATOM 705 O ASP A 50 -5.364 -7.287 -10.878 1.00 0.00 O ATOM 706 CB ASP A 50 -5.273 -8.127 -14.114 1.00 0.00 C ATOM 707 CG ASP A 50 -6.144 -7.818 -15.315 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.370 -7.658 -15.135 1.00 0.00 O ATOM 709 OD2 ASP A 50 -5.601 -7.735 -16.436 1.00 0.00 O ATOM 0 H ASP A 50 -3.124 -6.408 -13.907 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.982 -6.354 -13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.311 -8.509 -14.455 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.739 -8.917 -13.525 1.00 0.00 H new ATOM 714 N LYS A 51 -3.344 -7.776 -11.737 1.00 0.00 N ATOM 715 CA LYS A 51 -2.789 -8.225 -10.465 1.00 0.00 C ATOM 716 C LYS A 51 -2.914 -7.137 -9.403 1.00 0.00 C ATOM 717 O LYS A 51 -3.339 -7.401 -8.278 1.00 0.00 O ATOM 718 CB LYS A 51 -1.320 -8.620 -10.636 1.00 0.00 C ATOM 719 CG LYS A 51 -0.649 -9.043 -9.341 1.00 0.00 C ATOM 720 CD LYS A 51 -1.271 -10.311 -8.780 1.00 0.00 C ATOM 721 CE LYS A 51 -0.772 -10.601 -7.372 1.00 0.00 C ATOM 722 NZ LYS A 51 -0.793 -12.058 -7.065 1.00 0.00 N ATOM 0 H LYS A 51 -2.694 -7.827 -12.522 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.356 -9.096 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.254 -9.438 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.773 -7.778 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.414 -9.205 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.732 -8.241 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.356 -10.211 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.035 -11.152 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.244 -10.221 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.392 -10.069 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.446 -12.214 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.766 -12.416 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.182 -12.563 -7.738 1.00 0.00 H new ATOM 736 N TYR A 52 -2.543 -5.916 -9.768 1.00 0.00 N ATOM 737 CA TYR A 52 -2.612 -4.788 -8.846 1.00 0.00 C ATOM 738 C TYR A 52 -3.508 -3.685 -9.401 1.00 0.00 C ATOM 739 O TYR A 52 -3.495 -3.403 -10.599 1.00 0.00 O ATOM 740 CB TYR A 52 -1.212 -4.236 -8.576 1.00 0.00 C ATOM 741 CG TYR A 52 -0.221 -5.288 -8.132 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.490 -6.037 -9.062 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.006 -5.532 -6.783 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.395 -7.000 -8.661 1.00 0.00 C ATOM 745 CE2 TYR A 52 0.911 -6.492 -6.373 1.00 0.00 C ATOM 746 CZ TYR A 52 1.603 -7.224 -7.315 1.00 0.00 C ATOM 747 OH TYR A 52 2.505 -8.181 -6.912 1.00 0.00 O ATOM 0 H TYR A 52 -2.191 -5.681 -10.696 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.042 -5.143 -7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.839 -3.757 -9.481 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.277 -3.464 -7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.332 -5.863 -10.116 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.534 -4.961 -6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.937 -7.575 -9.397 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.076 -6.668 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 52 2.533 -8.212 -5.933 1.00 0.00 H new ATOM 757 N SER A 53 -4.285 -3.064 -8.520 1.00 0.00 N ATOM 758 CA SER A 53 -5.191 -1.993 -8.920 1.00 0.00 C ATOM 759 C SER A 53 -4.798 -0.674 -8.261 1.00 0.00 C ATOM 760 O SER A 53 -5.216 -0.378 -7.141 1.00 0.00 O ATOM 761 CB SER A 53 -6.632 -2.351 -8.552 1.00 0.00 C ATOM 762 OG SER A 53 -7.552 -1.730 -9.433 1.00 0.00 O ATOM 0 H SER A 53 -4.306 -3.284 -7.524 1.00 0.00 H new ATOM 0 HA SER A 53 -5.119 -1.874 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.762 -3.433 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.837 -2.040 -7.528 1.00 0.00 H new ATOM 0 HG SER A 53 -8.466 -1.976 -9.178 1.00 0.00 H new ATOM 768 N LEU A 54 -3.992 0.114 -8.964 1.00 0.00 N ATOM 769 CA LEU A 54 -3.541 1.402 -8.449 1.00 0.00 C ATOM 770 C LEU A 54 -4.625 2.463 -8.612 1.00 0.00 C ATOM 771 O LEU A 54 -5.326 2.498 -9.623 1.00 0.00 O ATOM 772 CB LEU A 54 -2.266 1.844 -9.169 1.00 0.00 C ATOM 773 CG LEU A 54 -0.962 1.222 -8.669 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.900 1.264 -7.150 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.826 -0.208 -9.171 1.00 0.00 C ATOM 0 H LEU A 54 -3.637 -0.116 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.328 1.286 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.372 1.612 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.183 2.928 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.129 1.804 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.035 0.817 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.951 2.299 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.740 0.706 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.108 -0.635 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.664 -0.803 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.825 -0.212 -10.261 1.00 0.00 H new ATOM 787 N ARG A 55 -4.754 3.328 -7.611 1.00 0.00 N ATOM 788 CA ARG A 55 -5.751 4.391 -7.644 1.00 0.00 C ATOM 789 C ARG A 55 -5.501 5.406 -6.533 1.00 0.00 C ATOM 790 O ARG A 55 -5.059 5.049 -5.441 1.00 0.00 O ATOM 791 CB ARG A 55 -7.158 3.804 -7.506 1.00 0.00 C ATOM 792 CG ARG A 55 -7.437 3.210 -6.135 1.00 0.00 C ATOM 793 CD ARG A 55 -6.997 1.756 -6.058 1.00 0.00 C ATOM 794 NE ARG A 55 -7.883 0.875 -6.814 1.00 0.00 N ATOM 795 CZ ARG A 55 -9.042 0.423 -6.349 1.00 0.00 C ATOM 796 NH1 ARG A 55 -9.454 0.768 -5.137 1.00 0.00 N ATOM 797 NH2 ARG A 55 -9.793 -0.375 -7.098 1.00 0.00 N ATOM 0 H ARG A 55 -4.181 3.313 -6.768 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.670 4.901 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.890 4.585 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.296 3.032 -8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.916 3.790 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.502 3.281 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.981 1.664 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.974 1.439 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.596 0.591 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.880 1.382 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.345 0.419 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.480 -0.642 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.683 -0.722 -6.740 1.00 0.00 H new ATOM 811 N GLN A 56 -5.786 6.672 -6.820 1.00 0.00 N ATOM 812 CA GLN A 56 -5.590 7.739 -5.845 1.00 0.00 C ATOM 813 C GLN A 56 -6.517 8.915 -6.131 1.00 0.00 C ATOM 814 O GLN A 56 -7.134 8.988 -7.195 1.00 0.00 O ATOM 815 CB GLN A 56 -4.134 8.208 -5.857 1.00 0.00 C ATOM 816 CG GLN A 56 -3.650 8.656 -7.226 1.00 0.00 C ATOM 817 CD GLN A 56 -2.140 8.766 -7.305 1.00 0.00 C ATOM 818 OE1 GLN A 56 -1.466 7.872 -7.818 1.00 0.00 O ATOM 819 NE2 GLN A 56 -1.599 9.866 -6.795 1.00 0.00 N ATOM 0 H GLN A 56 -6.153 6.984 -7.719 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.829 7.343 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.021 9.033 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.497 7.397 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.999 7.950 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.094 9.622 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.195 10.582 -6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.587 9.995 -6.819 1.00 0.00 H new ATOM 828 N ASP A 57 -6.612 9.833 -5.176 1.00 0.00 N ATOM 829 CA ASP A 57 -7.464 11.007 -5.326 1.00 0.00 C ATOM 830 C ASP A 57 -6.664 12.289 -5.119 1.00 0.00 C ATOM 831 O ASP A 57 -7.200 13.302 -4.669 1.00 0.00 O ATOM 832 CB ASP A 57 -8.626 10.950 -4.332 1.00 0.00 C ATOM 833 CG ASP A 57 -9.833 11.734 -4.808 1.00 0.00 C ATOM 834 OD1 ASP A 57 -10.327 11.448 -5.919 1.00 0.00 O ATOM 835 OD2 ASP A 57 -10.285 12.633 -4.068 1.00 0.00 O ATOM 0 H ASP A 57 -6.110 9.787 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.863 11.009 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.912 9.911 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.297 11.343 -3.370 1.00 0.00 H new ATOM 840 N GLY A 58 -5.377 12.238 -5.450 1.00 0.00 N ATOM 841 CA GLY A 58 -4.524 13.401 -5.293 1.00 0.00 C ATOM 842 C GLY A 58 -3.361 13.144 -4.355 1.00 0.00 C ATOM 843 O GLY A 58 -2.416 12.438 -4.707 1.00 0.00 O ATOM 0 H GLY A 58 -4.910 11.412 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.141 13.701 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.116 14.234 -4.913 1.00 0.00 H new ATOM 847 N ALA A 59 -3.428 13.720 -3.159 1.00 0.00 N ATOM 848 CA ALA A 59 -2.372 13.550 -2.169 1.00 0.00 C ATOM 849 C ALA A 59 -2.480 12.194 -1.480 1.00 0.00 C ATOM 850 O ALA A 59 -1.473 11.603 -1.089 1.00 0.00 O ATOM 851 CB ALA A 59 -2.425 14.671 -1.142 1.00 0.00 C ATOM 0 H ALA A 59 -4.203 14.308 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.413 13.591 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.631 14.531 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.292 15.630 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.391 14.657 -0.637 1.00 0.00 H new ATOM 857 N VAL A 60 -3.708 11.705 -1.333 1.00 0.00 N ATOM 858 CA VAL A 60 -3.947 10.418 -0.691 1.00 0.00 C ATOM 859 C VAL A 60 -3.962 9.288 -1.714 1.00 0.00 C ATOM 860 O VAL A 60 -4.887 9.178 -2.520 1.00 0.00 O ATOM 861 CB VAL A 60 -5.281 10.415 0.080 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.594 9.020 0.598 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.238 11.420 1.221 1.00 0.00 C ATOM 0 H VAL A 60 -4.552 12.181 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.129 10.258 0.011 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.077 10.710 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.540 9.037 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.669 8.329 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.798 8.693 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.188 11.405 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.432 11.158 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.063 12.418 0.820 1.00 0.00 H new ATOM 873 N CYS A 61 -2.932 8.450 -1.677 1.00 0.00 N ATOM 874 CA CYS A 61 -2.825 7.327 -2.601 1.00 0.00 C ATOM 875 C CYS A 61 -3.355 6.047 -1.965 1.00 0.00 C ATOM 876 O CYS A 61 -3.470 5.951 -0.743 1.00 0.00 O ATOM 877 CB CYS A 61 -1.371 7.132 -3.033 1.00 0.00 C ATOM 878 SG CYS A 61 -0.680 8.529 -3.950 1.00 0.00 S ATOM 0 H CYS A 61 -2.159 8.527 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.430 7.552 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.761 6.955 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -1.304 6.237 -3.651 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.308 8.132 -5.130 1.00 0.00 H new ATOM 884 N GLU A 62 -3.679 5.066 -2.802 1.00 0.00 N ATOM 885 CA GLU A 62 -4.200 3.792 -2.320 1.00 0.00 C ATOM 886 C GLU A 62 -3.798 2.652 -3.251 1.00 0.00 C ATOM 887 O GLU A 62 -3.863 2.782 -4.474 1.00 0.00 O ATOM 888 CB GLU A 62 -5.724 3.852 -2.199 1.00 0.00 C ATOM 889 CG GLU A 62 -6.329 2.637 -1.516 1.00 0.00 C ATOM 890 CD GLU A 62 -7.738 2.890 -1.016 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.594 3.293 -1.831 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.985 2.683 0.190 1.00 0.00 O ATOM 0 H GLU A 62 -3.590 5.129 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.771 3.603 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.001 4.747 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.155 3.951 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.340 1.800 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.697 2.344 -0.678 1.00 0.00 H new ATOM 899 N LEU A 63 -3.380 1.536 -2.664 1.00 0.00 N ATOM 900 CA LEU A 63 -2.965 0.373 -3.440 1.00 0.00 C ATOM 901 C LEU A 63 -3.808 -0.848 -3.083 1.00 0.00 C ATOM 902 O LEU A 63 -3.986 -1.168 -1.908 1.00 0.00 O ATOM 903 CB LEU A 63 -1.485 0.074 -3.196 1.00 0.00 C ATOM 904 CG LEU A 63 -0.995 -1.302 -3.648 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.609 -1.275 -5.119 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.180 -1.757 -2.795 1.00 0.00 C ATOM 0 H LEU A 63 -3.320 1.412 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.114 0.599 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.893 0.834 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.285 0.176 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.809 -2.016 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.263 -2.263 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.476 -0.995 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.189 -0.548 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.515 -2.738 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.997 -1.042 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.130 -1.817 -1.752 1.00 0.00 H new ATOM 918 N GLN A 64 -4.321 -1.526 -4.104 1.00 0.00 N ATOM 919 CA GLN A 64 -5.143 -2.712 -3.898 1.00 0.00 C ATOM 920 C GLN A 64 -4.484 -3.944 -4.509 1.00 0.00 C ATOM 921 O GLN A 64 -4.364 -4.054 -5.730 1.00 0.00 O ATOM 922 CB GLN A 64 -6.532 -2.507 -4.504 1.00 0.00 C ATOM 923 CG GLN A 64 -7.462 -1.682 -3.630 1.00 0.00 C ATOM 924 CD GLN A 64 -8.109 -2.500 -2.530 1.00 0.00 C ATOM 925 OE1 GLN A 64 -7.491 -3.405 -1.969 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.361 -2.186 -2.216 1.00 0.00 N ATOM 0 H GLN A 64 -4.182 -1.274 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.243 -2.872 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.428 -2.018 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.987 -3.481 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.901 -0.860 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.239 -1.237 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.835 -1.428 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.848 -2.703 -1.484 1.00 0.00 H new ATOM 935 N ILE A 65 -4.060 -4.868 -3.654 1.00 0.00 N ATOM 936 CA ILE A 65 -3.414 -6.092 -4.111 1.00 0.00 C ATOM 937 C ILE A 65 -4.408 -7.247 -4.176 1.00 0.00 C ATOM 938 O ILE A 65 -4.822 -7.783 -3.148 1.00 0.00 O ATOM 939 CB ILE A 65 -2.244 -6.488 -3.191 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.183 -5.386 -3.176 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.638 -7.808 -3.645 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.399 -5.320 -1.884 1.00 0.00 C ATOM 0 H ILE A 65 -4.152 -4.792 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.028 -5.891 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.624 -6.614 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.492 -5.547 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.667 -4.424 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.812 -8.075 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.398 -8.589 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.269 -7.707 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.335 -4.516 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.080 -5.128 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.114 -6.268 -1.721 1.00 0.00 H new ATOM 954 N HIS A 66 -4.787 -7.627 -5.392 1.00 0.00 N ATOM 955 CA HIS A 66 -5.731 -8.720 -5.593 1.00 0.00 C ATOM 956 C HIS A 66 -5.028 -10.070 -5.489 1.00 0.00 C ATOM 957 O HIS A 66 -3.981 -10.284 -6.098 1.00 0.00 O ATOM 958 CB HIS A 66 -6.413 -8.590 -6.955 1.00 0.00 C ATOM 959 CG HIS A 66 -7.443 -7.503 -7.007 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.780 -7.721 -6.751 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.325 -6.185 -7.288 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.440 -6.583 -6.873 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.580 -5.635 -7.198 1.00 0.00 N ATOM 0 H HIS A 66 -4.454 -7.194 -6.253 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.488 -8.663 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.655 -8.398 -7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.885 -9.539 -7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.413 -5.662 -7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.502 -6.451 -6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.810 -4.654 -7.356 1.00 0.00 H new ATOM 971 N GLY A 67 -5.612 -10.978 -4.713 1.00 0.00 N ATOM 972 CA GLY A 67 -5.028 -12.296 -4.543 1.00 0.00 C ATOM 973 C GLY A 67 -3.872 -12.295 -3.563 1.00 0.00 C ATOM 974 O GLY A 67 -2.727 -12.046 -3.942 1.00 0.00 O ATOM 0 H GLY A 67 -6.479 -10.824 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.795 -12.988 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.681 -12.664 -5.509 1.00 0.00 H new ATOM 978 N LEU A 68 -4.170 -12.574 -2.299 1.00 0.00 N ATOM 979 CA LEU A 68 -3.147 -12.603 -1.259 1.00 0.00 C ATOM 980 C LEU A 68 -2.702 -14.033 -0.974 1.00 0.00 C ATOM 981 O LEU A 68 -3.481 -14.976 -1.112 1.00 0.00 O ATOM 982 CB LEU A 68 -3.675 -11.956 0.022 1.00 0.00 C ATOM 983 CG LEU A 68 -3.739 -10.428 0.026 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.557 -9.931 1.207 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.338 -9.836 0.058 1.00 0.00 C ATOM 0 H LEU A 68 -5.112 -12.784 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.286 -12.038 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.676 -12.342 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.045 -12.275 0.853 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.229 -10.102 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.591 -8.842 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.570 -10.327 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.097 -10.268 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.403 -8.748 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.822 -10.171 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.784 -10.165 -0.821 1.00 0.00 H new ATOM 997 N ALA A 69 -1.444 -14.187 -0.573 1.00 0.00 N ATOM 998 CA ALA A 69 -0.896 -15.502 -0.264 1.00 0.00 C ATOM 999 C ALA A 69 0.379 -15.385 0.564 1.00 0.00 C ATOM 1000 O ALA A 69 0.880 -14.285 0.797 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.627 -16.276 -1.545 1.00 0.00 C ATOM 0 H ALA A 69 -0.785 -13.417 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.633 -16.045 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.218 -17.256 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.558 -16.400 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.088 -15.728 -2.158 1.00 0.00 H new ATOM 1007 N MET A 70 0.900 -16.525 1.006 1.00 0.00 N ATOM 1008 CA MET A 70 2.118 -16.549 1.807 1.00 0.00 C ATOM 1009 C MET A 70 3.216 -15.716 1.152 1.00 0.00 C ATOM 1010 O MET A 70 3.737 -14.777 1.753 1.00 0.00 O ATOM 1011 CB MET A 70 2.599 -17.988 2.000 1.00 0.00 C ATOM 1012 CG MET A 70 1.603 -18.869 2.736 1.00 0.00 C ATOM 1013 SD MET A 70 1.190 -18.233 4.372 1.00 0.00 S ATOM 1014 CE MET A 70 -0.479 -17.643 4.094 1.00 0.00 C ATOM 0 H MET A 70 0.498 -17.444 0.823 1.00 0.00 H new ATOM 0 HA MET A 70 1.891 -16.116 2.781 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.807 -18.427 1.024 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.539 -17.977 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.692 -18.955 2.143 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.015 -19.873 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.874 -17.219 5.017 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.470 -16.877 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.110 -18.473 3.777 1.00 0.00 H new ATOM 1024 N ALA A 71 3.562 -16.068 -0.082 1.00 0.00 N ATOM 1025 CA ALA A 71 4.597 -15.352 -0.818 1.00 0.00 C ATOM 1026 C ALA A 71 4.468 -13.845 -0.620 1.00 0.00 C ATOM 1027 O ALA A 71 5.461 -13.152 -0.399 1.00 0.00 O ATOM 1028 CB ALA A 71 4.528 -15.699 -2.297 1.00 0.00 C ATOM 0 H ALA A 71 3.141 -16.844 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 71 5.566 -15.662 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.306 -15.157 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.676 -16.771 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.552 -15.418 -2.692 1.00 0.00 H new ATOM 1034 N ASP A 72 3.240 -13.345 -0.701 1.00 0.00 N ATOM 1035 CA ASP A 72 2.982 -11.920 -0.530 1.00 0.00 C ATOM 1036 C ASP A 72 3.660 -11.392 0.730 1.00 0.00 C ATOM 1037 O ASP A 72 4.254 -10.314 0.722 1.00 0.00 O ATOM 1038 CB ASP A 72 1.477 -11.657 -0.463 1.00 0.00 C ATOM 1039 CG ASP A 72 0.730 -12.263 -1.635 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.927 -13.466 -1.905 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.050 -11.533 -2.283 1.00 0.00 O ATOM 0 H ASP A 72 2.408 -13.905 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 72 3.397 -11.395 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.081 -12.065 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.300 -10.582 -0.440 1.00 0.00 H new ATOM 1046 N ASN A 73 3.567 -12.158 1.812 1.00 0.00 N ATOM 1047 CA ASN A 73 4.170 -11.767 3.080 1.00 0.00 C ATOM 1048 C ASN A 73 5.613 -11.313 2.880 1.00 0.00 C ATOM 1049 O ASN A 73 6.487 -12.115 2.554 1.00 0.00 O ATOM 1050 CB ASN A 73 4.123 -12.931 4.072 1.00 0.00 C ATOM 1051 CG ASN A 73 2.704 -13.343 4.413 1.00 0.00 C ATOM 1052 OD1 ASN A 73 1.788 -12.520 4.406 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.516 -14.623 4.713 1.00 0.00 N ATOM 0 H ASN A 73 3.079 -13.054 1.836 1.00 0.00 H new ATOM 0 HA ASN A 73 3.597 -10.932 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.655 -13.784 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.646 -12.648 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.583 -14.959 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.305 -15.270 4.706 1.00 0.00 H new ATOM 1060 N GLY A 74 5.854 -10.020 3.078 1.00 0.00 N ATOM 1061 CA GLY A 74 7.192 -9.482 2.914 1.00 0.00 C ATOM 1062 C GLY A 74 7.268 -8.007 3.254 1.00 0.00 C ATOM 1063 O GLY A 74 6.928 -7.599 4.365 1.00 0.00 O ATOM 0 H GLY A 74 5.147 -9.336 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.883 -10.035 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.517 -9.632 1.884 1.00 0.00 H new ATOM 1067 N VAL A 75 7.719 -7.203 2.296 1.00 0.00 N ATOM 1068 CA VAL A 75 7.840 -5.765 2.499 1.00 0.00 C ATOM 1069 C VAL A 75 7.557 -5.002 1.210 1.00 0.00 C ATOM 1070 O VAL A 75 7.954 -5.427 0.125 1.00 0.00 O ATOM 1071 CB VAL A 75 9.243 -5.386 3.009 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.317 -6.083 2.187 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.432 -3.877 2.978 1.00 0.00 C ATOM 0 H VAL A 75 8.007 -7.524 1.371 1.00 0.00 H new ATOM 0 HA VAL A 75 7.101 -5.489 3.251 1.00 0.00 H new ATOM 0 HB VAL A 75 9.337 -5.720 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.301 -5.803 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.192 -7.163 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.228 -5.783 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.429 -3.628 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.318 -3.517 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.685 -3.404 3.615 1.00 0.00 H new ATOM 1083 N TYR A 76 6.870 -3.872 1.336 1.00 0.00 N ATOM 1084 CA TYR A 76 6.532 -3.050 0.180 1.00 0.00 C ATOM 1085 C TYR A 76 7.134 -1.654 0.310 1.00 0.00 C ATOM 1086 O TYR A 76 7.193 -1.090 1.403 1.00 0.00 O ATOM 1087 CB TYR A 76 5.014 -2.950 0.026 1.00 0.00 C ATOM 1088 CG TYR A 76 4.346 -4.276 -0.258 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.927 -5.101 0.778 1.00 0.00 C ATOM 1090 CD2 TYR A 76 4.134 -4.705 -1.563 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.317 -6.314 0.524 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.523 -5.915 -1.827 1.00 0.00 C ATOM 1093 CZ TYR A 76 3.116 -6.716 -0.781 1.00 0.00 C ATOM 1094 OH TYR A 76 2.509 -7.924 -1.039 1.00 0.00 O ATOM 0 H TYR A 76 6.536 -3.504 2.227 1.00 0.00 H new ATOM 0 HA TYR A 76 6.950 -3.526 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.592 -2.528 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.784 -2.256 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.081 -4.788 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.453 -4.081 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.999 -6.944 1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.365 -6.232 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 76 2.442 -8.056 -2.008 1.00 0.00 H new ATOM 1104 N SER A 77 7.580 -1.102 -0.814 1.00 0.00 N ATOM 1105 CA SER A 77 8.181 0.227 -0.827 1.00 0.00 C ATOM 1106 C SER A 77 7.366 1.183 -1.693 1.00 0.00 C ATOM 1107 O SER A 77 6.666 0.760 -2.614 1.00 0.00 O ATOM 1108 CB SER A 77 9.619 0.154 -1.343 1.00 0.00 C ATOM 1109 OG SER A 77 9.685 -0.547 -2.573 1.00 0.00 O ATOM 0 H SER A 77 7.537 -1.554 -1.727 1.00 0.00 H new ATOM 0 HA SER A 77 8.188 0.606 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.013 1.162 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.249 -0.341 -0.604 1.00 0.00 H new ATOM 0 HG SER A 77 10.614 -0.578 -2.882 1.00 0.00 H new ATOM 1115 N CYS A 78 7.462 2.472 -1.390 1.00 0.00 N ATOM 1116 CA CYS A 78 6.733 3.490 -2.139 1.00 0.00 C ATOM 1117 C CYS A 78 7.634 4.679 -2.460 1.00 0.00 C ATOM 1118 O CYS A 78 8.066 5.403 -1.563 1.00 0.00 O ATOM 1119 CB CYS A 78 5.512 3.959 -1.348 1.00 0.00 C ATOM 1120 SG CYS A 78 4.345 4.951 -2.309 1.00 0.00 S ATOM 0 H CYS A 78 8.037 2.838 -0.631 1.00 0.00 H new ATOM 0 HA CYS A 78 6.400 3.046 -3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.991 3.087 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.850 4.543 -0.492 1.00 0.00 H new ATOM 0 HG CYS A 78 4.402 6.189 -1.916 1.00 0.00 H new ATOM 1126 N VAL A 79 7.915 4.872 -3.744 1.00 0.00 N ATOM 1127 CA VAL A 79 8.765 5.972 -4.184 1.00 0.00 C ATOM 1128 C VAL A 79 7.932 7.126 -4.730 1.00 0.00 C ATOM 1129 O VAL A 79 7.229 6.978 -5.731 1.00 0.00 O ATOM 1130 CB VAL A 79 9.761 5.515 -5.266 1.00 0.00 C ATOM 1131 CG1 VAL A 79 10.808 6.589 -5.516 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.417 4.202 -4.865 1.00 0.00 C ATOM 0 H VAL A 79 7.566 4.281 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 79 9.321 6.311 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 79 9.213 5.353 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.503 6.248 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.318 7.504 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.354 6.786 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.118 3.894 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.952 4.335 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.652 3.436 -4.742 1.00 0.00 H new ATOM 1142 N CYS A 80 8.016 8.275 -4.068 1.00 0.00 N ATOM 1143 CA CYS A 80 7.269 9.455 -4.488 1.00 0.00 C ATOM 1144 C CYS A 80 8.182 10.454 -5.193 1.00 0.00 C ATOM 1145 O CYS A 80 7.714 11.352 -5.891 1.00 0.00 O ATOM 1146 CB CYS A 80 6.603 10.119 -3.281 1.00 0.00 C ATOM 1147 SG CYS A 80 7.763 10.667 -2.007 1.00 0.00 S ATOM 0 H CYS A 80 8.594 8.414 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 80 6.498 9.136 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.025 10.977 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.897 9.417 -2.837 1.00 0.00 H new ATOM 0 HG CYS A 80 7.839 9.766 -1.073 1.00 0.00 H new ATOM 1153 N GLY A 81 9.488 10.291 -5.003 1.00 0.00 N ATOM 1154 CA GLY A 81 10.445 11.186 -5.626 1.00 0.00 C ATOM 1155 C GLY A 81 11.847 11.008 -5.077 1.00 0.00 C ATOM 1156 O GLY A 81 12.684 10.352 -5.696 1.00 0.00 O ATOM 0 H GLY A 81 9.900 9.555 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.454 11.011 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.126 12.217 -5.473 1.00 0.00 H new ATOM 1160 N GLN A 82 12.103 11.596 -3.913 1.00 0.00 N ATOM 1161 CA GLN A 82 13.415 11.501 -3.282 1.00 0.00 C ATOM 1162 C GLN A 82 13.392 10.508 -2.125 1.00 0.00 C ATOM 1163 O GLN A 82 14.292 9.681 -1.988 1.00 0.00 O ATOM 1164 CB GLN A 82 13.864 12.875 -2.782 1.00 0.00 C ATOM 1165 CG GLN A 82 14.466 13.751 -3.869 1.00 0.00 C ATOM 1166 CD GLN A 82 15.941 13.479 -4.088 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.363 13.135 -5.193 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.735 13.631 -3.035 1.00 0.00 N ATOM 0 H GLN A 82 11.420 12.143 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 82 14.125 11.144 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.009 13.390 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.598 12.741 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.928 13.586 -4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.329 14.799 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.343 13.918 -2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.737 13.461 -3.123 1.00 0.00 H new ATOM 1177 N GLU A 83 12.357 10.597 -1.296 1.00 0.00 N ATOM 1178 CA GLU A 83 12.218 9.706 -0.150 1.00 0.00 C ATOM 1179 C GLU A 83 11.448 8.446 -0.530 1.00 0.00 C ATOM 1180 O GLU A 83 10.587 8.473 -1.410 1.00 0.00 O ATOM 1181 CB GLU A 83 11.508 10.424 0.999 1.00 0.00 C ATOM 1182 CG GLU A 83 12.211 11.693 1.452 1.00 0.00 C ATOM 1183 CD GLU A 83 13.515 11.411 2.174 1.00 0.00 C ATOM 1184 OE1 GLU A 83 14.489 11.011 1.504 1.00 0.00 O ATOM 1185 OE2 GLU A 83 13.559 11.592 3.409 1.00 0.00 O ATOM 0 H GLU A 83 11.603 11.276 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 83 13.217 9.416 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.493 10.672 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.425 9.743 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.409 12.324 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.549 12.255 2.111 1.00 0.00 H new ATOM 1192 N ARG A 84 11.764 7.341 0.138 1.00 0.00 N ATOM 1193 CA ARG A 84 11.103 6.070 -0.131 1.00 0.00 C ATOM 1194 C ARG A 84 10.679 5.392 1.169 1.00 0.00 C ATOM 1195 O ARG A 84 11.519 4.970 1.965 1.00 0.00 O ATOM 1196 CB ARG A 84 12.031 5.146 -0.921 1.00 0.00 C ATOM 1197 CG ARG A 84 13.105 4.487 -0.070 1.00 0.00 C ATOM 1198 CD ARG A 84 14.290 4.045 -0.914 1.00 0.00 C ATOM 1199 NE ARG A 84 14.124 2.686 -1.422 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.081 2.016 -2.054 1.00 0.00 C ATOM 1201 NH1 ARG A 84 16.266 2.575 -2.253 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.853 0.782 -2.487 1.00 0.00 N ATOM 0 H ARG A 84 12.474 7.301 0.869 1.00 0.00 H new ATOM 0 HA ARG A 84 10.211 6.271 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.434 4.371 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.510 5.719 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.443 5.185 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.683 3.625 0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.415 4.732 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.201 4.100 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 84 13.224 2.226 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.445 3.522 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.999 2.058 -2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.943 0.348 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.588 0.268 -2.972 1.00 0.00 H new ATOM 1216 N THR A 85 9.370 5.290 1.378 1.00 0.00 N ATOM 1217 CA THR A 85 8.835 4.666 2.581 1.00 0.00 C ATOM 1218 C THR A 85 8.544 3.187 2.350 1.00 0.00 C ATOM 1219 O THR A 85 8.269 2.767 1.227 1.00 0.00 O ATOM 1220 CB THR A 85 7.544 5.364 3.050 1.00 0.00 C ATOM 1221 OG1 THR A 85 7.183 4.901 4.356 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.403 5.099 2.079 1.00 0.00 C ATOM 0 H THR A 85 8.661 5.632 0.729 1.00 0.00 H new ATOM 0 HA THR A 85 9.596 4.768 3.355 1.00 0.00 H new ATOM 0 HB THR A 85 7.729 6.438 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.714 5.614 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.502 5.602 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.669 5.479 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.220 4.026 2.017 1.00 0.00 H new ATOM 1230 N SER A 86 8.607 2.402 3.421 1.00 0.00 N ATOM 1231 CA SER A 86 8.353 0.969 3.334 1.00 0.00 C ATOM 1232 C SER A 86 7.382 0.522 4.423 1.00 0.00 C ATOM 1233 O SER A 86 7.200 1.209 5.428 1.00 0.00 O ATOM 1234 CB SER A 86 9.664 0.189 3.453 1.00 0.00 C ATOM 1235 OG SER A 86 10.330 0.118 2.204 1.00 0.00 O ATOM 0 H SER A 86 8.832 2.734 4.359 1.00 0.00 H new ATOM 0 HA SER A 86 7.903 0.763 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.311 0.669 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.460 -0.818 3.818 1.00 0.00 H new ATOM 0 HG SER A 86 11.166 -0.384 2.307 1.00 0.00 H new ATOM 1241 N ALA A 87 6.761 -0.634 4.214 1.00 0.00 N ATOM 1242 CA ALA A 87 5.810 -1.175 5.177 1.00 0.00 C ATOM 1243 C ALA A 87 5.830 -2.699 5.172 1.00 0.00 C ATOM 1244 O ALA A 87 6.253 -3.322 4.197 1.00 0.00 O ATOM 1245 CB ALA A 87 4.408 -0.663 4.879 1.00 0.00 C ATOM 0 H ALA A 87 6.899 -1.214 3.386 1.00 0.00 H new ATOM 0 HA ALA A 87 6.105 -0.837 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.708 -1.075 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.397 0.425 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.113 -0.972 3.876 1.00 0.00 H new ATOM 1251 N THR A 88 5.371 -3.297 6.268 1.00 0.00 N ATOM 1252 CA THR A 88 5.338 -4.749 6.390 1.00 0.00 C ATOM 1253 C THR A 88 3.907 -5.271 6.359 1.00 0.00 C ATOM 1254 O THR A 88 3.022 -4.727 7.022 1.00 0.00 O ATOM 1255 CB THR A 88 6.016 -5.218 7.691 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.361 -4.730 7.746 1.00 0.00 O ATOM 1257 CG2 THR A 88 6.018 -6.737 7.783 1.00 0.00 C ATOM 0 H THR A 88 5.017 -2.797 7.084 1.00 0.00 H new ATOM 0 HA THR A 88 5.886 -5.151 5.538 1.00 0.00 H new ATOM 0 HB THR A 88 5.451 -4.819 8.533 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.785 -5.031 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.502 -7.045 8.710 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.992 -7.104 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.562 -7.152 6.935 1.00 0.00 H new ATOM 1265 N LEU A 89 3.684 -6.328 5.586 1.00 0.00 N ATOM 1266 CA LEU A 89 2.358 -6.925 5.470 1.00 0.00 C ATOM 1267 C LEU A 89 2.315 -8.292 6.146 1.00 0.00 C ATOM 1268 O LEU A 89 3.328 -8.986 6.233 1.00 0.00 O ATOM 1269 CB LEU A 89 1.965 -7.059 3.998 1.00 0.00 C ATOM 1270 CG LEU A 89 0.554 -7.582 3.724 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.466 -6.464 3.865 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.476 -8.207 2.339 1.00 0.00 C ATOM 0 H LEU A 89 4.404 -6.789 5.030 1.00 0.00 H new ATOM 0 HA LEU A 89 1.646 -6.270 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.067 -6.082 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.678 -7.724 3.512 1.00 0.00 H new ATOM 0 HG LEU A 89 0.323 -8.351 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.464 -6.855 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.428 -6.063 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.238 -5.672 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.535 -8.574 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.728 -7.459 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.179 -9.037 2.274 1.00 0.00 H new ATOM 1284 N THR A 90 1.134 -8.674 6.622 1.00 0.00 N ATOM 1285 CA THR A 90 0.958 -9.958 7.288 1.00 0.00 C ATOM 1286 C THR A 90 -0.283 -10.679 6.774 1.00 0.00 C ATOM 1287 O THR A 90 -1.407 -10.218 6.972 1.00 0.00 O ATOM 1288 CB THR A 90 0.843 -9.787 8.815 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.070 -9.273 9.344 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.512 -11.113 9.484 1.00 0.00 C ATOM 0 H THR A 90 0.285 -8.112 6.558 1.00 0.00 H new ATOM 0 HA THR A 90 1.841 -10.555 7.062 1.00 0.00 H new ATOM 0 HB THR A 90 0.037 -9.083 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.988 -9.166 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.436 -10.968 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.437 -11.487 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.300 -11.835 9.270 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.072 -11.814 6.115 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.174 -12.600 5.574 1.00 0.00 C ATOM 1300 C VAL A 91 -1.406 -13.862 6.398 1.00 0.00 C ATOM 1301 O VAL A 91 -0.465 -14.590 6.715 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.914 -12.997 4.109 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -2.157 -13.627 3.497 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.466 -11.789 3.301 1.00 0.00 C ATOM 0 H VAL A 91 0.852 -12.210 5.943 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.063 -11.971 5.620 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.113 -13.736 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.954 -13.901 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.429 -14.519 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.980 -12.913 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.287 -12.088 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.243 -11.025 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.453 -11.387 3.727 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.664 -14.115 6.741 1.00 0.00 N ATOM 1315 CA ARG A 92 -3.020 -15.289 7.529 1.00 0.00 C ATOM 1316 C ARG A 92 -3.977 -16.192 6.758 1.00 0.00 C ATOM 1317 O ARG A 92 -4.985 -15.731 6.221 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.657 -14.866 8.854 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.659 -14.322 9.864 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.261 -14.251 11.259 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.235 -14.263 12.298 1.00 0.00 N ATOM 1322 CZ ARG A 92 -1.560 -15.351 12.652 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -1.801 -16.509 12.052 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -0.641 -15.282 13.607 1.00 0.00 N ATOM 0 H ARG A 92 -3.454 -13.523 6.486 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.107 -15.848 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.413 -14.106 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.172 -15.722 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.773 -14.957 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.333 -13.329 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.859 -13.344 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.936 -15.094 11.406 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.025 -13.388 12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.506 -16.566 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.281 -17.343 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.452 -14.393 14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.123 -16.118 13.878 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.655 -17.480 6.705 1.00 0.00 N ATOM 1339 CA ALA A 93 -4.486 -18.448 6.001 1.00 0.00 C ATOM 1340 C ALA A 93 -5.866 -18.556 6.642 1.00 0.00 C ATOM 1341 O ALA A 93 -6.036 -18.261 7.826 1.00 0.00 O ATOM 1342 CB ALA A 93 -3.806 -19.809 5.975 1.00 0.00 C ATOM 0 H ALA A 93 -2.823 -17.877 7.142 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.616 -18.100 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.439 -20.522 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.846 -19.727 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.645 -20.155 6.996 1.00 0.00 H new ATOM 1348 N LEU A 94 -6.847 -18.981 5.854 1.00 0.00 N ATOM 1349 CA LEU A 94 -8.213 -19.128 6.345 1.00 0.00 C ATOM 1350 C LEU A 94 -8.428 -20.511 6.951 1.00 0.00 C ATOM 1351 O LEU A 94 -7.783 -21.489 6.573 1.00 0.00 O ATOM 1352 CB LEU A 94 -9.212 -18.895 5.210 1.00 0.00 C ATOM 1353 CG LEU A 94 -9.371 -17.448 4.742 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -10.408 -16.725 5.588 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -8.036 -16.720 4.795 1.00 0.00 C ATOM 0 H LEU A 94 -6.722 -19.230 4.873 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.375 -18.382 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.909 -19.501 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.187 -19.261 5.530 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.716 -17.457 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.508 -15.697 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.368 -17.233 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.092 -16.727 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.169 -15.692 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.661 -16.721 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.320 -17.225 4.146 1.00 0.00 H new ATOM 1367 N PRO A 95 -9.359 -20.597 7.914 1.00 0.00 N ATOM 1368 CA PRO A 95 -9.683 -21.856 8.591 1.00 0.00 C ATOM 1369 C PRO A 95 -10.400 -22.840 7.673 1.00 0.00 C ATOM 1370 O PRO A 95 -11.396 -22.496 7.036 1.00 0.00 O ATOM 1371 CB PRO A 95 -10.605 -21.418 9.731 1.00 0.00 C ATOM 1372 CG PRO A 95 -11.214 -20.144 9.258 1.00 0.00 C ATOM 1373 CD PRO A 95 -10.166 -19.472 8.415 1.00 0.00 C ATOM 0 HA PRO A 95 -8.788 -22.381 8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.368 -22.170 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.048 -21.271 10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.117 -20.335 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.502 -19.513 10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.611 -18.902 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.565 -18.776 9.000 1.00 0.00 H new ATOM 1381 N ALA A 96 -9.888 -24.065 7.610 1.00 0.00 N ATOM 1382 CA ALA A 96 -10.482 -25.099 6.772 1.00 0.00 C ATOM 1383 C ALA A 96 -11.787 -25.611 7.373 1.00 0.00 C ATOM 1384 O ALA A 96 -12.023 -25.476 8.574 1.00 0.00 O ATOM 1385 CB ALA A 96 -9.503 -26.247 6.576 1.00 0.00 C ATOM 0 H ALA A 96 -9.063 -24.365 8.129 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.708 -24.659 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.960 -27.012 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.598 -25.876 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.248 -26.677 7.545 1.00 0.00 H new ATOM 1391 N ARG A 97 -12.631 -26.198 6.531 1.00 0.00 N ATOM 1392 CA ARG A 97 -13.912 -26.729 6.980 1.00 0.00 C ATOM 1393 C ARG A 97 -13.784 -28.196 7.377 1.00 0.00 C ATOM 1394 O ARG A 97 -14.714 -28.983 7.196 1.00 0.00 O ATOM 1395 CB ARG A 97 -14.964 -26.577 5.880 1.00 0.00 C ATOM 1396 CG ARG A 97 -14.733 -27.489 4.686 1.00 0.00 C ATOM 1397 CD ARG A 97 -16.039 -27.835 3.988 1.00 0.00 C ATOM 1398 NE ARG A 97 -16.383 -26.860 2.956 1.00 0.00 N ATOM 1399 CZ ARG A 97 -17.189 -27.124 1.934 1.00 0.00 C ATOM 1400 NH1 ARG A 97 -17.732 -28.328 1.808 1.00 0.00 N ATOM 1401 NH2 ARG A 97 -17.455 -26.184 1.036 1.00 0.00 N ATOM 0 H ARG A 97 -12.451 -26.318 5.534 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.226 -26.160 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.949 -26.784 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.974 -25.542 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -14.060 -27.003 3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -14.242 -28.404 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -15.959 -28.825 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.842 -27.883 4.724 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.982 -25.925 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.531 -29.053 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.351 -28.529 1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.040 -25.257 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.074 -26.389 0.252 1.00 0.00 H new ATOM 1415 N PHE A 98 -12.626 -28.558 7.920 1.00 0.00 N ATOM 1416 CA PHE A 98 -12.376 -29.932 8.342 1.00 0.00 C ATOM 1417 C PHE A 98 -13.069 -30.228 9.668 1.00 0.00 C ATOM 1418 O PHE A 98 -12.967 -29.454 10.621 1.00 0.00 O ATOM 1419 CB PHE A 98 -10.872 -30.181 8.472 1.00 0.00 C ATOM 1420 CG PHE A 98 -10.302 -29.732 9.787 1.00 0.00 C ATOM 1421 CD1 PHE A 98 -10.038 -28.392 10.022 1.00 0.00 C ATOM 1422 CD2 PHE A 98 -10.028 -30.650 10.788 1.00 0.00 C ATOM 1423 CE1 PHE A 98 -9.514 -27.976 11.231 1.00 0.00 C ATOM 1424 CE2 PHE A 98 -9.504 -30.240 11.999 1.00 0.00 C ATOM 1425 CZ PHE A 98 -9.246 -28.901 12.221 1.00 0.00 C ATOM 0 H PHE A 98 -11.846 -27.920 8.078 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.784 -30.600 7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.676 -31.246 8.344 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -10.355 -29.662 7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -10.244 -27.664 9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.226 -31.698 10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.314 -26.928 11.402 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.296 -30.966 12.771 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.836 -28.578 13.166 1.00 0.00 H new ATOM 1435 N ILE A 99 -13.774 -31.353 9.722 1.00 0.00 N ATOM 1436 CA ILE A 99 -14.484 -31.752 10.931 1.00 0.00 C ATOM 1437 C ILE A 99 -13.693 -32.795 11.714 1.00 0.00 C ATOM 1438 O ILE A 99 -13.340 -33.847 11.183 1.00 0.00 O ATOM 1439 CB ILE A 99 -15.877 -32.320 10.604 1.00 0.00 C ATOM 1440 CG1 ILE A 99 -16.490 -32.974 11.845 1.00 0.00 C ATOM 1441 CG2 ILE A 99 -15.787 -33.321 9.462 1.00 0.00 C ATOM 1442 CD1 ILE A 99 -18.002 -33.003 11.829 1.00 0.00 C ATOM 0 H ILE A 99 -13.869 -32.004 8.943 1.00 0.00 H new ATOM 0 HA ILE A 99 -14.600 -30.855 11.539 1.00 0.00 H new ATOM 0 HB ILE A 99 -16.523 -31.499 10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -16.116 -33.994 11.930 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.154 -32.437 12.732 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -16.780 -33.713 9.243 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -15.388 -32.827 8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -15.128 -34.141 9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.366 -33.480 12.739 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -18.385 -31.984 11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -18.346 -33.566 10.961 1.00 0.00 H new ATOM 1454 N GLU A 100 -13.420 -32.495 12.980 1.00 0.00 N ATOM 1455 CA GLU A 100 -12.671 -33.408 13.836 1.00 0.00 C ATOM 1456 C GLU A 100 -13.581 -34.496 14.398 1.00 0.00 C ATOM 1457 O GLU A 100 -13.364 -35.685 14.163 1.00 0.00 O ATOM 1458 CB GLU A 100 -12.008 -32.640 14.981 1.00 0.00 C ATOM 1459 CG GLU A 100 -11.192 -33.520 15.912 1.00 0.00 C ATOM 1460 CD GLU A 100 -9.767 -33.713 15.432 1.00 0.00 C ATOM 1461 OE1 GLU A 100 -9.569 -33.882 14.211 1.00 0.00 O ATOM 1462 OE2 GLU A 100 -8.849 -33.695 16.279 1.00 0.00 O ATOM 0 H GLU A 100 -13.706 -31.628 13.435 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.898 -33.882 13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.360 -31.869 14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.778 -32.130 15.559 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.179 -33.076 16.907 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.676 -34.493 16.003 1.00 0.00 H new ATOM 1469 N ASP A 101 -14.600 -34.080 15.143 1.00 0.00 N ATOM 1470 CA ASP A 101 -15.544 -35.019 15.739 1.00 0.00 C ATOM 1471 C ASP A 101 -16.119 -35.957 14.682 1.00 0.00 C ATOM 1472 O ASP A 101 -16.119 -35.641 13.492 1.00 0.00 O ATOM 1473 CB ASP A 101 -16.676 -34.262 16.437 1.00 0.00 C ATOM 1474 CG ASP A 101 -17.046 -32.981 15.716 1.00 0.00 C ATOM 1475 OD1 ASP A 101 -16.429 -31.936 16.011 1.00 0.00 O ATOM 1476 OD2 ASP A 101 -17.953 -33.023 14.859 1.00 0.00 O ATOM 0 H ASP A 101 -14.793 -33.100 15.348 1.00 0.00 H new ATOM 0 HA ASP A 101 -15.008 -35.617 16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -17.553 -34.905 16.502 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.376 -34.027 17.458 1.00 0.00 H new ATOM 1481 N SER A 102 -16.607 -37.111 15.125 1.00 0.00 N ATOM 1482 CA SER A 102 -17.180 -38.097 14.217 1.00 0.00 C ATOM 1483 C SER A 102 -18.677 -37.864 14.035 1.00 0.00 C ATOM 1484 O SER A 102 -19.194 -37.911 12.920 1.00 0.00 O ATOM 1485 CB SER A 102 -16.933 -39.512 14.744 1.00 0.00 C ATOM 1486 OG SER A 102 -15.638 -39.968 14.393 1.00 0.00 O ATOM 0 H SER A 102 -16.617 -37.386 16.107 1.00 0.00 H new ATOM 0 HA SER A 102 -16.693 -37.988 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.045 -39.524 15.828 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.683 -40.191 14.338 1.00 0.00 H new ATOM 0 HG SER A 102 -15.504 -40.874 14.743 1.00 0.00 H new ATOM 1492 N GLY A 103 -19.369 -37.612 15.143 1.00 0.00 N ATOM 1493 CA GLY A 103 -20.799 -37.375 15.086 1.00 0.00 C ATOM 1494 C GLY A 103 -21.561 -38.172 16.126 1.00 0.00 C ATOM 1495 O GLY A 103 -21.715 -37.750 17.273 1.00 0.00 O ATOM 0 H GLY A 103 -18.964 -37.568 16.078 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.994 -36.313 15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.168 -37.633 14.093 1.00 0.00 H new ATOM 1499 N PRO A 104 -22.054 -39.354 15.727 1.00 0.00 N ATOM 1500 CA PRO A 104 -22.813 -40.237 16.618 1.00 0.00 C ATOM 1501 C PRO A 104 -21.938 -40.857 17.702 1.00 0.00 C ATOM 1502 O PRO A 104 -20.794 -41.235 17.450 1.00 0.00 O ATOM 1503 CB PRO A 104 -23.345 -41.319 15.676 1.00 0.00 C ATOM 1504 CG PRO A 104 -22.384 -41.337 14.538 1.00 0.00 C ATOM 1505 CD PRO A 104 -21.908 -39.920 14.375 1.00 0.00 C ATOM 0 HA PRO A 104 -23.594 -39.700 17.156 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -23.389 -42.289 16.172 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -24.355 -41.088 15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -21.550 -42.008 14.743 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -22.864 -41.694 13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -20.874 -39.880 14.032 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -22.507 -39.376 13.645 1.00 0.00 H new ATOM 1513 N SER A 105 -22.484 -40.960 18.910 1.00 0.00 N ATOM 1514 CA SER A 105 -21.752 -41.532 20.034 1.00 0.00 C ATOM 1515 C SER A 105 -22.277 -42.923 20.373 1.00 0.00 C ATOM 1516 O SER A 105 -23.485 -43.130 20.495 1.00 0.00 O ATOM 1517 CB SER A 105 -21.861 -40.621 21.258 1.00 0.00 C ATOM 1518 OG SER A 105 -20.984 -39.512 21.148 1.00 0.00 O ATOM 0 H SER A 105 -23.431 -40.655 19.135 1.00 0.00 H new ATOM 0 HA SER A 105 -20.704 -41.618 19.747 1.00 0.00 H new ATOM 0 HB2 SER A 105 -22.887 -40.268 21.363 1.00 0.00 H new ATOM 0 HB3 SER A 105 -21.625 -41.187 22.159 1.00 0.00 H new ATOM 0 HG SER A 105 -21.074 -38.944 21.942 1.00 0.00 H new ATOM 1524 N SER A 106 -21.362 -43.874 20.524 1.00 0.00 N ATOM 1525 CA SER A 106 -21.732 -45.248 20.846 1.00 0.00 C ATOM 1526 C SER A 106 -22.608 -45.296 22.094 1.00 0.00 C ATOM 1527 O SER A 106 -22.139 -45.053 23.205 1.00 0.00 O ATOM 1528 CB SER A 106 -20.479 -46.100 21.055 1.00 0.00 C ATOM 1529 OG SER A 106 -19.613 -45.509 22.008 1.00 0.00 O ATOM 0 H SER A 106 -20.358 -43.719 20.429 1.00 0.00 H new ATOM 0 HA SER A 106 -22.301 -45.651 20.008 1.00 0.00 H new ATOM 0 HB2 SER A 106 -20.765 -47.097 21.389 1.00 0.00 H new ATOM 0 HB3 SER A 106 -19.954 -46.219 20.107 1.00 0.00 H new ATOM 0 HG SER A 106 -20.140 -45.157 22.756 1.00 0.00 H new ATOM 1535 N GLY A 107 -23.885 -45.613 21.901 1.00 0.00 N ATOM 1536 CA GLY A 107 -24.807 -45.688 23.019 1.00 0.00 C ATOM 1537 C GLY A 107 -26.209 -46.072 22.588 1.00 0.00 C ATOM 1538 O GLY A 107 -27.130 -45.258 22.652 1.00 0.00 O ATOM 0 H GLY A 107 -24.297 -45.819 20.991 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.439 -46.417 23.741 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.837 -44.724 23.527 1.00 0.00 H new TER 1542 GLY A 107