USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 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 5 CYS SG : rot -103:sc= 0.604 USER MOD Set 1.2: A 106 MET CE :methyl -174:sc= -0.0952 (180deg=-0.197) USER MOD Set 2.1: A 47 MET CE :methyl -166:sc= 0 (180deg=-0.42) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -121:sc= 0.0899 (180deg=0) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 LYS NZ :NH3+ -165:sc= 0.00572 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -123:sc= 0.00912 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot -21:sc= 0.426 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.552 (180deg=-0.903) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -2 K(o=-2,f=-3.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00559) USER MOD Single : A 37 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-0.84) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0197 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0802 K(o=-0.08,f=-0.65) USER MOD Single : A 49 MET CE :methyl -121:sc= -0.225 (180deg=-1.11) USER MOD Single : A 50 SER OG : rot 160:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.35 (180deg=-1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 120:sc= -2.73! USER MOD Single : A 65 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.2) USER MOD Single : A 74 MET CE :methyl -150:sc= -0.686 (180deg=-2.64!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.07 K(o=-2.1,f=-4.3!) USER MOD Single : A 78 CYS SG : rot 123:sc= 0.762 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00263 K(o=-0.0026,f=-2.7!) USER MOD Single : A 86 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.9!) USER MOD Single : A 91 MET CE :methyl 167:sc= 0 (180deg=-0.398) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.124 -18.124 10.615 1.00 0.00 N ATOM 2 CA GLU A 1 172.203 -17.960 9.137 1.00 0.00 C ATOM 3 C GLU A 1 172.796 -16.605 8.762 1.00 0.00 C ATOM 4 O GLU A 1 172.696 -15.643 9.525 1.00 0.00 O ATOM 5 CB GLU A 1 170.795 -18.093 8.550 1.00 0.00 C ATOM 6 CG GLU A 1 170.781 -18.460 7.074 1.00 0.00 C ATOM 7 CD GLU A 1 169.379 -18.685 6.542 1.00 0.00 C ATOM 8 OE1 GLU A 1 168.607 -17.706 6.470 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.054 -19.840 6.198 1.00 0.00 O ATOM 0 H1 GLU A 1 172.648 -18.977 10.898 1.00 0.00 H new ATOM 0 H2 GLU A 1 172.540 -17.292 11.079 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.129 -18.218 10.901 1.00 0.00 H new ATOM 0 HA GLU A 1 172.856 -18.733 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.248 -18.852 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.263 -17.151 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.260 -17.666 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.372 -19.363 6.922 1.00 0.00 H new ATOM 18 N GLN A 2 173.407 -16.536 7.580 1.00 0.00 N ATOM 19 CA GLN A 2 174.012 -15.294 7.101 1.00 0.00 C ATOM 20 C GLN A 2 172.952 -14.218 6.870 1.00 0.00 C ATOM 21 O GLN A 2 173.190 -13.038 7.134 1.00 0.00 O ATOM 22 CB GLN A 2 174.791 -15.542 5.808 1.00 0.00 C ATOM 23 CG GLN A 2 175.888 -16.585 5.943 1.00 0.00 C ATOM 24 CD GLN A 2 176.010 -17.460 4.713 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.865 -17.231 3.858 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.151 -18.468 4.615 1.00 0.00 N ATOM 0 H GLN A 2 173.496 -17.323 6.938 1.00 0.00 H new ATOM 0 HA GLN A 2 174.699 -14.941 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.095 -15.858 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.234 -14.603 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.839 -16.086 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.685 -17.211 6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.458 -18.621 5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.184 -19.089 3.807 1.00 0.00 H new ATOM 35 N LEU A 3 171.782 -14.631 6.380 1.00 0.00 N ATOM 36 CA LEU A 3 170.685 -13.699 6.118 1.00 0.00 C ATOM 37 C LEU A 3 170.210 -13.037 7.412 1.00 0.00 C ATOM 38 O LEU A 3 169.928 -11.838 7.437 1.00 0.00 O ATOM 39 CB LEU A 3 169.515 -14.419 5.439 1.00 0.00 C ATOM 40 CG LEU A 3 169.877 -15.216 4.181 1.00 0.00 C ATOM 41 CD1 LEU A 3 168.671 -15.997 3.680 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.405 -14.290 3.093 1.00 0.00 C ATOM 0 H LEU A 3 171.570 -15.604 6.157 1.00 0.00 H new ATOM 0 HA LEU A 3 171.058 -12.924 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.060 -15.098 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.759 -13.680 5.175 1.00 0.00 H new ATOM 0 HG LEU A 3 170.664 -15.925 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 3 168.946 -16.557 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 3 168.338 -16.689 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 3 167.863 -15.305 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.656 -14.875 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.641 -13.556 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.296 -13.776 3.454 1.00 0.00 H new ATOM 54 N LYS A 4 170.132 -13.824 8.487 1.00 0.00 N ATOM 55 CA LYS A 4 169.701 -13.310 9.785 1.00 0.00 C ATOM 56 C LYS A 4 170.792 -12.443 10.416 1.00 0.00 C ATOM 57 O LYS A 4 170.495 -11.455 11.090 1.00 0.00 O ATOM 58 CB LYS A 4 169.339 -14.463 10.729 1.00 0.00 C ATOM 59 CG LYS A 4 167.972 -14.315 11.381 1.00 0.00 C ATOM 60 CD LYS A 4 166.845 -14.640 10.410 1.00 0.00 C ATOM 61 CE LYS A 4 166.490 -16.121 10.434 1.00 0.00 C ATOM 62 NZ LYS A 4 165.042 -16.357 10.160 1.00 0.00 N ATOM 0 H LYS A 4 170.362 -14.818 8.483 1.00 0.00 H new ATOM 0 HA LYS A 4 168.816 -12.694 9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.366 -15.399 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.098 -14.534 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.908 -14.975 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.853 -13.296 11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 4 165.964 -14.051 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 4 167.140 -14.353 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 4 167.089 -16.649 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 4 166.747 -16.539 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.846 -17.378 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 164.469 -15.876 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 164.801 -15.982 9.220 1.00 0.00 H new ATOM 76 N CYS A 5 172.055 -12.820 10.195 1.00 0.00 N ATOM 77 CA CYS A 5 173.191 -12.078 10.745 1.00 0.00 C ATOM 78 C CYS A 5 173.329 -10.704 10.088 1.00 0.00 C ATOM 79 O CYS A 5 173.448 -9.691 10.778 1.00 0.00 O ATOM 80 CB CYS A 5 174.489 -12.870 10.565 1.00 0.00 C ATOM 81 SG CYS A 5 175.626 -12.749 11.967 1.00 0.00 S ATOM 0 H CYS A 5 172.315 -13.635 9.639 1.00 0.00 H new ATOM 0 HA CYS A 5 173.004 -11.933 11.809 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.243 -13.919 10.400 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.997 -12.517 9.667 1.00 0.00 H new ATOM 0 HG CYS A 5 176.594 -11.933 11.672 1.00 0.00 H new ATOM 87 N CYS A 6 173.312 -10.675 8.752 1.00 0.00 N ATOM 88 CA CYS A 6 173.434 -9.419 8.010 1.00 0.00 C ATOM 89 C CYS A 6 172.274 -8.480 8.339 1.00 0.00 C ATOM 90 O CYS A 6 172.458 -7.265 8.434 1.00 0.00 O ATOM 91 CB CYS A 6 173.496 -9.680 6.500 1.00 0.00 C ATOM 92 SG CYS A 6 171.971 -10.345 5.790 1.00 0.00 S ATOM 0 H CYS A 6 173.215 -11.504 8.165 1.00 0.00 H new ATOM 0 HA CYS A 6 174.364 -8.939 8.314 1.00 0.00 H new ATOM 0 HB2 CYS A 6 173.741 -8.747 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 6 174.310 -10.376 6.298 1.00 0.00 H new ATOM 0 HG CYS A 6 171.262 -10.900 6.728 1.00 0.00 H new ATOM 98 N SER A 7 171.079 -9.053 8.520 1.00 0.00 N ATOM 99 CA SER A 7 169.889 -8.270 8.848 1.00 0.00 C ATOM 100 C SER A 7 170.110 -7.445 10.116 1.00 0.00 C ATOM 101 O SER A 7 169.647 -6.307 10.209 1.00 0.00 O ATOM 102 CB SER A 7 168.673 -9.185 9.028 1.00 0.00 C ATOM 103 OG SER A 7 167.467 -8.439 9.013 1.00 0.00 O ATOM 0 H SER A 7 170.913 -10.057 8.444 1.00 0.00 H new ATOM 0 HA SER A 7 169.699 -7.589 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.653 -9.930 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.758 -9.727 9.970 1.00 0.00 H new ATOM 0 HG SER A 7 166.706 -9.045 9.128 1.00 0.00 H new ATOM 109 N GLY A 8 170.826 -8.020 11.086 1.00 0.00 N ATOM 110 CA GLY A 8 171.100 -7.316 12.328 1.00 0.00 C ATOM 111 C GLY A 8 171.854 -6.022 12.096 1.00 0.00 C ATOM 112 O GLY A 8 171.470 -4.975 12.620 1.00 0.00 O ATOM 0 H GLY A 8 171.219 -8.959 11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.160 -7.101 12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.681 -7.960 12.989 1.00 0.00 H new ATOM 116 N ILE A 9 172.916 -6.088 11.292 1.00 0.00 N ATOM 117 CA ILE A 9 173.709 -4.904 10.976 1.00 0.00 C ATOM 118 C ILE A 9 172.861 -3.896 10.203 1.00 0.00 C ATOM 119 O ILE A 9 172.944 -2.690 10.435 1.00 0.00 O ATOM 120 CB ILE A 9 174.970 -5.253 10.153 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.758 -6.385 10.823 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.850 -4.022 9.985 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.382 -7.355 9.841 1.00 0.00 C ATOM 0 H ILE A 9 173.244 -6.947 10.850 1.00 0.00 H new ATOM 0 HA ILE A 9 174.034 -4.470 11.922 1.00 0.00 H new ATOM 0 HB ILE A 9 174.653 -5.593 9.167 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.544 -5.952 11.442 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.093 -6.934 11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.734 -4.283 9.403 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.291 -3.243 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.156 -3.657 10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.923 -8.128 10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.600 -7.816 9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.073 -6.820 9.190 1.00 0.00 H new ATOM 135 N LEU A 10 172.023 -4.408 9.298 1.00 0.00 N ATOM 136 CA LEU A 10 171.132 -3.566 8.505 1.00 0.00 C ATOM 137 C LEU A 10 170.148 -2.830 9.417 1.00 0.00 C ATOM 138 O LEU A 10 169.787 -1.681 9.158 1.00 0.00 O ATOM 139 CB LEU A 10 170.365 -4.412 7.478 1.00 0.00 C ATOM 140 CG LEU A 10 170.209 -3.786 6.087 1.00 0.00 C ATOM 141 CD1 LEU A 10 169.620 -2.387 6.185 1.00 0.00 C ATOM 142 CD2 LEU A 10 171.545 -3.759 5.360 1.00 0.00 C ATOM 0 H LEU A 10 171.945 -5.405 9.098 1.00 0.00 H new ATOM 0 HA LEU A 10 171.736 -2.832 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.874 -5.370 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.372 -4.622 7.876 1.00 0.00 H new ATOM 0 HG LEU A 10 169.518 -4.403 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 10 169.519 -1.964 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 168.640 -2.437 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.279 -1.756 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.414 -3.311 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 172.260 -3.170 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 10 171.920 -4.777 5.249 1.00 0.00 H new ATOM 154 N LYS A 11 169.718 -3.505 10.488 1.00 0.00 N ATOM 155 CA LYS A 11 168.775 -2.924 11.443 1.00 0.00 C ATOM 156 C LYS A 11 169.321 -1.631 12.050 1.00 0.00 C ATOM 157 O LYS A 11 168.553 -0.738 12.396 1.00 0.00 O ATOM 158 CB LYS A 11 168.452 -3.927 12.558 1.00 0.00 C ATOM 159 CG LYS A 11 166.970 -4.257 12.673 1.00 0.00 C ATOM 160 CD LYS A 11 166.541 -4.436 14.124 1.00 0.00 C ATOM 161 CE LYS A 11 165.885 -5.791 14.353 1.00 0.00 C ATOM 162 NZ LYS A 11 164.485 -5.835 13.837 1.00 0.00 N ATOM 0 H LYS A 11 170.010 -4.456 10.714 1.00 0.00 H new ATOM 0 HA LYS A 11 167.861 -2.687 10.899 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.007 -4.848 12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.801 -3.524 13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.384 -3.460 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.756 -5.169 12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.409 -4.337 14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 11 165.845 -3.643 14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.475 -6.566 13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.884 -6.017 15.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.079 -6.776 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 163.913 -5.114 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.486 -5.646 12.814 1.00 0.00 H new ATOM 176 N GLU A 12 170.648 -1.530 12.166 1.00 0.00 N ATOM 177 CA GLU A 12 171.284 -0.332 12.722 1.00 0.00 C ATOM 178 C GLU A 12 170.913 0.911 11.916 1.00 0.00 C ATOM 179 O GLU A 12 170.725 1.990 12.482 1.00 0.00 O ATOM 180 CB GLU A 12 172.806 -0.500 12.748 1.00 0.00 C ATOM 181 CG GLU A 12 173.409 -0.416 14.142 1.00 0.00 C ATOM 182 CD GLU A 12 174.649 -1.276 14.300 1.00 0.00 C ATOM 183 OE1 GLU A 12 174.535 -2.515 14.175 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.735 -0.712 14.551 1.00 0.00 O ATOM 0 H GLU A 12 171.301 -2.261 11.883 1.00 0.00 H new ATOM 0 HA GLU A 12 170.921 -0.203 13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.063 -1.464 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.258 0.268 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.662 0.621 14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.663 -0.724 14.875 1.00 0.00 H new ATOM 191 N MET A 13 170.800 0.751 10.598 1.00 0.00 N ATOM 192 CA MET A 13 170.440 1.860 9.720 1.00 0.00 C ATOM 193 C MET A 13 169.101 2.471 10.136 1.00 0.00 C ATOM 194 O MET A 13 168.919 3.683 10.058 1.00 0.00 O ATOM 195 CB MET A 13 170.374 1.392 8.265 1.00 0.00 C ATOM 196 CG MET A 13 171.696 1.516 7.525 1.00 0.00 C ATOM 197 SD MET A 13 172.540 -0.067 7.337 1.00 0.00 S ATOM 198 CE MET A 13 172.480 -0.275 5.558 1.00 0.00 C ATOM 0 H MET A 13 170.953 -0.135 10.117 1.00 0.00 H new ATOM 0 HA MET A 13 171.211 2.625 9.809 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.050 0.351 8.241 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.617 1.974 7.739 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.517 1.947 6.540 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.345 2.207 8.062 1.00 0.00 H new ATOM 0 HE1 MET A 13 173.113 -1.114 5.268 1.00 0.00 H new ATOM 0 HE2 MET A 13 171.453 -0.471 5.249 1.00 0.00 H new ATOM 0 HE3 MET A 13 172.838 0.633 5.073 1.00 0.00 H new ATOM 208 N PHE A 14 168.165 1.626 10.579 1.00 0.00 N ATOM 209 CA PHE A 14 166.847 2.098 11.008 1.00 0.00 C ATOM 210 C PHE A 14 166.629 1.910 12.517 1.00 0.00 C ATOM 211 O PHE A 14 165.508 2.061 13.007 1.00 0.00 O ATOM 212 CB PHE A 14 165.746 1.369 10.232 1.00 0.00 C ATOM 213 CG PHE A 14 164.862 2.291 9.440 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.752 2.883 10.025 1.00 0.00 C ATOM 215 CD2 PHE A 14 165.140 2.565 8.111 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.937 3.729 9.296 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.329 3.410 7.378 1.00 0.00 C ATOM 218 CZ PHE A 14 163.226 3.993 7.971 1.00 0.00 C ATOM 0 H PHE A 14 168.295 0.617 10.649 1.00 0.00 H new ATOM 0 HA PHE A 14 166.801 3.166 10.796 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.205 0.648 9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.132 0.803 10.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.522 2.681 11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 14 166.001 2.113 7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 14 162.075 4.183 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.557 3.614 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.591 4.654 7.400 1.00 0.00 H new ATOM 228 N ALA A 15 167.697 1.590 13.256 1.00 0.00 N ATOM 229 CA ALA A 15 167.597 1.394 14.705 1.00 0.00 C ATOM 230 C ALA A 15 168.095 2.620 15.473 1.00 0.00 C ATOM 231 O ALA A 15 168.474 2.519 16.642 1.00 0.00 O ATOM 232 CB ALA A 15 168.376 0.155 15.128 1.00 0.00 C ATOM 0 H ALA A 15 168.635 1.462 12.877 1.00 0.00 H new ATOM 0 HA ALA A 15 166.544 1.252 14.948 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.292 0.023 16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.969 -0.721 14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.425 0.275 14.858 1.00 0.00 H new ATOM 238 N LYS A 16 168.100 3.775 14.804 1.00 0.00 N ATOM 239 CA LYS A 16 168.556 5.030 15.406 1.00 0.00 C ATOM 240 C LYS A 16 170.055 4.986 15.727 1.00 0.00 C ATOM 241 O LYS A 16 170.540 5.752 16.561 1.00 0.00 O ATOM 242 CB LYS A 16 167.748 5.352 16.671 1.00 0.00 C ATOM 243 CG LYS A 16 166.612 6.334 16.432 1.00 0.00 C ATOM 244 CD LYS A 16 165.520 6.198 17.483 1.00 0.00 C ATOM 245 CE LYS A 16 164.702 7.476 17.609 1.00 0.00 C ATOM 246 NZ LYS A 16 165.273 8.412 18.621 1.00 0.00 N ATOM 0 H LYS A 16 167.790 3.867 13.836 1.00 0.00 H new ATOM 0 HA LYS A 16 168.392 5.823 14.676 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.338 4.427 17.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.419 5.761 17.426 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.002 7.352 16.442 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.188 6.166 15.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.863 5.369 17.221 1.00 0.00 H new ATOM 0 HD3 LYS A 16 165.969 5.956 18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.657 7.974 16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 163.678 7.224 17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.684 9.268 18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 165.292 7.948 19.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 166.241 8.674 18.345 1.00 0.00 H new ATOM 260 N LYS A 17 170.784 4.094 15.053 1.00 0.00 N ATOM 261 CA LYS A 17 172.224 3.961 15.259 1.00 0.00 C ATOM 262 C LYS A 17 172.999 4.432 14.026 1.00 0.00 C ATOM 263 O LYS A 17 174.120 4.928 14.141 1.00 0.00 O ATOM 264 CB LYS A 17 172.585 2.510 15.584 1.00 0.00 C ATOM 265 CG LYS A 17 172.023 2.030 16.914 1.00 0.00 C ATOM 266 CD LYS A 17 171.869 0.518 16.945 1.00 0.00 C ATOM 267 CE LYS A 17 171.091 0.064 18.169 1.00 0.00 C ATOM 268 NZ LYS A 17 170.579 -1.327 18.021 1.00 0.00 N ATOM 0 H LYS A 17 170.398 3.453 14.359 1.00 0.00 H new ATOM 0 HA LYS A 17 172.504 4.592 16.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.215 1.864 14.788 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.670 2.408 15.599 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.682 2.346 17.723 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.055 2.498 17.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.357 0.185 16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.854 0.051 16.944 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.732 0.122 19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 17 170.255 0.742 18.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.055 -1.597 18.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 169.946 -1.378 17.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 171.378 -1.978 17.885 1.00 0.00 H new ATOM 282 N HIS A 18 172.388 4.281 12.849 1.00 0.00 N ATOM 283 CA HIS A 18 173.009 4.695 11.596 1.00 0.00 C ATOM 284 C HIS A 18 171.955 5.221 10.618 1.00 0.00 C ATOM 285 O HIS A 18 172.111 5.107 9.400 1.00 0.00 O ATOM 286 CB HIS A 18 173.771 3.523 10.974 1.00 0.00 C ATOM 287 CG HIS A 18 175.189 3.850 10.635 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.136 4.169 11.585 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.822 3.907 9.441 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.291 4.406 10.989 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.128 4.254 9.688 1.00 0.00 N ATOM 0 H HIS A 18 171.460 3.873 12.741 1.00 0.00 H new ATOM 0 HA HIS A 18 173.712 5.501 11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.756 2.681 11.666 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.254 3.202 10.070 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.971 4.215 12.590 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.382 3.715 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.212 4.678 11.483 1.00 0.00 H new ATOM 300 N ALA A 19 170.882 5.799 11.161 1.00 0.00 N ATOM 301 CA ALA A 19 169.800 6.342 10.344 1.00 0.00 C ATOM 302 C ALA A 19 170.118 7.755 9.877 1.00 0.00 C ATOM 303 O ALA A 19 169.859 8.106 8.729 1.00 0.00 O ATOM 304 CB ALA A 19 168.489 6.323 11.116 1.00 0.00 C ATOM 0 H ALA A 19 170.741 5.902 12.166 1.00 0.00 H new ATOM 0 HA ALA A 19 169.698 5.710 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.694 6.731 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.244 5.297 11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.589 6.927 12.018 1.00 0.00 H new ATOM 310 N ALA A 20 170.685 8.562 10.772 1.00 0.00 N ATOM 311 CA ALA A 20 171.042 9.940 10.442 1.00 0.00 C ATOM 312 C ALA A 20 172.174 9.980 9.419 1.00 0.00 C ATOM 313 O ALA A 20 172.161 10.798 8.498 1.00 0.00 O ATOM 314 CB ALA A 20 171.436 10.706 11.696 1.00 0.00 C ATOM 0 H ALA A 20 170.906 8.286 11.729 1.00 0.00 H new ATOM 0 HA ALA A 20 170.167 10.418 10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 20 171.698 11.730 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.599 10.716 12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.293 10.222 12.164 1.00 0.00 H new ATOM 320 N TYR A 21 173.150 9.089 9.584 1.00 0.00 N ATOM 321 CA TYR A 21 174.286 9.017 8.675 1.00 0.00 C ATOM 322 C TYR A 21 173.884 8.398 7.335 1.00 0.00 C ATOM 323 O TYR A 21 174.442 8.745 6.294 1.00 0.00 O ATOM 324 CB TYR A 21 175.419 8.207 9.309 1.00 0.00 C ATOM 325 CG TYR A 21 176.242 8.990 10.310 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.828 10.202 9.962 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.434 8.517 11.602 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.582 10.918 10.873 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.185 9.227 12.518 1.00 0.00 C ATOM 330 CZ TYR A 21 177.758 10.426 12.149 1.00 0.00 C ATOM 331 OH TYR A 21 178.510 11.133 13.059 1.00 0.00 O ATOM 0 H TYR A 21 173.174 8.406 10.342 1.00 0.00 H new ATOM 0 HA TYR A 21 174.633 10.033 8.488 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.996 7.333 9.805 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.076 7.839 8.521 1.00 0.00 H new ATOM 0 HD1 TYR A 21 176.692 10.590 8.964 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.988 7.578 11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 21 178.031 11.858 10.587 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.323 8.845 13.519 1.00 0.00 H new ATOM 0 HH TYR A 21 178.534 10.648 13.911 1.00 0.00 H new ATOM 341 N ALA A 22 172.912 7.481 7.366 1.00 0.00 N ATOM 342 CA ALA A 22 172.440 6.819 6.150 1.00 0.00 C ATOM 343 C ALA A 22 171.026 7.269 5.767 1.00 0.00 C ATOM 344 O ALA A 22 170.303 6.541 5.084 1.00 0.00 O ATOM 345 CB ALA A 22 172.483 5.307 6.326 1.00 0.00 C ATOM 0 H ALA A 22 172.439 7.182 8.219 1.00 0.00 H new ATOM 0 HA ALA A 22 173.107 7.107 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.129 4.824 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.507 4.993 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.843 5.019 7.160 1.00 0.00 H new ATOM 351 N TRP A 23 170.634 8.468 6.202 1.00 0.00 N ATOM 352 CA TRP A 23 169.306 8.999 5.895 1.00 0.00 C ATOM 353 C TRP A 23 169.178 9.346 4.409 1.00 0.00 C ATOM 354 O TRP A 23 168.229 8.915 3.751 1.00 0.00 O ATOM 355 CB TRP A 23 169.007 10.233 6.753 1.00 0.00 C ATOM 356 CG TRP A 23 167.548 10.571 6.833 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.854 11.396 5.997 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.605 10.097 7.804 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.539 11.469 6.389 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.361 10.681 7.496 1.00 0.00 C ATOM 361 CE3 TRP A 23 166.691 9.238 8.904 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.214 10.433 8.247 1.00 0.00 C ATOM 363 CZ3 TRP A 23 165.551 8.993 9.648 1.00 0.00 C ATOM 364 CH2 TRP A 23 164.328 9.589 9.317 1.00 0.00 C ATOM 0 H TRP A 23 171.216 9.087 6.766 1.00 0.00 H new ATOM 0 HA TRP A 23 168.576 8.223 6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.388 10.065 7.760 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.547 11.088 6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.277 11.916 5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.813 12.020 5.931 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.630 8.774 9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.269 10.891 7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 165.605 8.330 10.499 1.00 0.00 H new ATOM 0 HH2 TRP A 23 163.457 9.378 9.919 1.00 0.00 H new ATOM 375 N PRO A 24 170.129 10.131 3.854 1.00 0.00 N ATOM 376 CA PRO A 24 170.099 10.523 2.441 1.00 0.00 C ATOM 377 C PRO A 24 170.623 9.432 1.504 1.00 0.00 C ATOM 378 O PRO A 24 170.346 9.455 0.304 1.00 0.00 O ATOM 379 CB PRO A 24 171.018 11.741 2.408 1.00 0.00 C ATOM 380 CG PRO A 24 172.017 11.488 3.484 1.00 0.00 C ATOM 381 CD PRO A 24 171.303 10.701 4.553 1.00 0.00 C ATOM 0 HA PRO A 24 169.084 10.714 2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.500 11.847 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.463 12.661 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.871 10.932 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.402 12.426 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.940 9.919 4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.002 11.339 5.384 1.00 0.00 H new ATOM 389 N PHE A 25 171.382 8.482 2.055 1.00 0.00 N ATOM 390 CA PHE A 25 171.941 7.392 1.264 1.00 0.00 C ATOM 391 C PHE A 25 171.194 6.081 1.525 1.00 0.00 C ATOM 392 O PHE A 25 171.797 5.006 1.559 1.00 0.00 O ATOM 393 CB PHE A 25 173.432 7.229 1.579 1.00 0.00 C ATOM 394 CG PHE A 25 174.330 8.062 0.703 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.278 9.447 0.750 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.224 7.458 -0.166 1.00 0.00 C ATOM 397 CE1 PHE A 25 175.103 10.213 -0.054 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.051 8.219 -0.972 1.00 0.00 C ATOM 399 CZ PHE A 25 175.990 9.597 -0.915 1.00 0.00 C ATOM 0 H PHE A 25 171.622 8.449 3.046 1.00 0.00 H new ATOM 0 HA PHE A 25 171.824 7.639 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.606 7.497 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.705 6.179 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.586 9.933 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.276 6.380 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 25 175.054 11.291 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.744 7.736 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.635 10.193 -1.543 1.00 0.00 H new ATOM 409 N TYR A 26 169.876 6.177 1.701 1.00 0.00 N ATOM 410 CA TYR A 26 169.046 5.001 1.949 1.00 0.00 C ATOM 411 C TYR A 26 168.198 4.665 0.725 1.00 0.00 C ATOM 412 O TYR A 26 168.121 3.506 0.315 1.00 0.00 O ATOM 413 CB TYR A 26 168.141 5.226 3.165 1.00 0.00 C ATOM 414 CG TYR A 26 167.874 3.968 3.963 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.919 3.233 4.512 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.577 3.514 4.168 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.679 2.085 5.241 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.329 2.366 4.896 1.00 0.00 C ATOM 419 CZ TYR A 26 167.383 1.655 5.431 1.00 0.00 C ATOM 420 OH TYR A 26 167.140 0.513 6.160 1.00 0.00 O ATOM 0 H TYR A 26 169.361 7.057 1.676 1.00 0.00 H new ATOM 0 HA TYR A 26 169.709 4.161 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.601 5.969 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.191 5.641 2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.936 3.566 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.749 4.068 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 26 169.503 1.527 5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 26 165.315 2.027 5.045 1.00 0.00 H new ATOM 0 HH TYR A 26 166.175 0.350 6.200 1.00 0.00 H new ATOM 430 N LYS A 27 167.565 5.685 0.144 1.00 0.00 N ATOM 431 CA LYS A 27 166.721 5.498 -1.037 1.00 0.00 C ATOM 432 C LYS A 27 167.564 5.444 -2.314 1.00 0.00 C ATOM 433 O LYS A 27 168.651 6.022 -2.372 1.00 0.00 O ATOM 434 CB LYS A 27 165.692 6.626 -1.140 1.00 0.00 C ATOM 435 CG LYS A 27 164.671 6.629 -0.011 1.00 0.00 C ATOM 436 CD LYS A 27 164.171 8.037 0.286 1.00 0.00 C ATOM 437 CE LYS A 27 162.764 8.023 0.870 1.00 0.00 C ATOM 438 NZ LYS A 27 162.702 7.316 2.183 1.00 0.00 N ATOM 0 H LYS A 27 167.621 6.649 0.472 1.00 0.00 H new ATOM 0 HA LYS A 27 166.200 4.547 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.214 7.583 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.168 6.541 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 27 163.828 5.992 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 27 165.119 6.204 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.850 8.525 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.179 8.627 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.415 9.048 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 27 162.086 7.539 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 161.732 7.362 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 162.977 6.321 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.353 7.772 2.854 1.00 0.00 H new ATOM 452 N PRO A 28 167.071 4.741 -3.356 1.00 0.00 N ATOM 453 CA PRO A 28 167.781 4.607 -4.638 1.00 0.00 C ATOM 454 C PRO A 28 167.964 5.943 -5.360 1.00 0.00 C ATOM 455 O PRO A 28 167.522 6.989 -4.878 1.00 0.00 O ATOM 456 CB PRO A 28 166.875 3.683 -5.464 1.00 0.00 C ATOM 457 CG PRO A 28 165.983 3.019 -4.473 1.00 0.00 C ATOM 458 CD PRO A 28 165.789 4.015 -3.367 1.00 0.00 C ATOM 0 HA PRO A 28 168.790 4.223 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.298 4.249 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.461 2.950 -6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.030 2.747 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 28 166.432 2.100 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.949 4.680 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.592 3.527 -2.413 1.00 0.00 H new ATOM 466 N VAL A 29 168.614 5.896 -6.524 1.00 0.00 N ATOM 467 CA VAL A 29 168.855 7.094 -7.324 1.00 0.00 C ATOM 468 C VAL A 29 167.766 7.273 -8.384 1.00 0.00 C ATOM 469 O VAL A 29 168.025 7.179 -9.587 1.00 0.00 O ATOM 470 CB VAL A 29 170.246 7.063 -8.000 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.346 7.206 -6.958 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.434 5.786 -8.810 1.00 0.00 C ATOM 0 H VAL A 29 168.983 5.038 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 29 168.829 7.943 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 29 170.308 7.907 -8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.318 7.182 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.228 8.154 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.280 6.385 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.420 5.791 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.347 4.922 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.669 5.730 -9.585 1.00 0.00 H new ATOM 482 N ASP A 30 166.542 7.530 -7.920 1.00 0.00 N ATOM 483 CA ASP A 30 165.394 7.725 -8.807 1.00 0.00 C ATOM 484 C ASP A 30 165.643 8.878 -9.778 1.00 0.00 C ATOM 485 O ASP A 30 165.501 10.046 -9.415 1.00 0.00 O ATOM 486 CB ASP A 30 164.129 8.004 -7.985 1.00 0.00 C ATOM 487 CG ASP A 30 163.602 6.774 -7.265 1.00 0.00 C ATOM 488 OD1 ASP A 30 164.422 5.958 -6.790 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.366 6.630 -7.171 1.00 0.00 O ATOM 0 H ASP A 30 166.319 7.608 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 30 165.254 6.810 -9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.343 8.782 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.353 8.392 -8.645 1.00 0.00 H new ATOM 494 N VAL A 31 166.020 8.543 -11.011 1.00 0.00 N ATOM 495 CA VAL A 31 166.294 9.555 -12.030 1.00 0.00 C ATOM 496 C VAL A 31 165.048 10.382 -12.356 1.00 0.00 C ATOM 497 O VAL A 31 165.147 11.578 -12.625 1.00 0.00 O ATOM 498 CB VAL A 31 166.855 8.923 -13.324 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.845 7.976 -13.961 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.279 10.005 -14.306 1.00 0.00 C ATOM 0 H VAL A 31 166.142 7.581 -11.328 1.00 0.00 H new ATOM 0 HA VAL A 31 167.050 10.219 -11.612 1.00 0.00 H new ATOM 0 HB VAL A 31 167.734 8.336 -13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.270 7.548 -14.869 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.604 7.176 -13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 164.937 8.526 -14.209 1.00 0.00 H new ATOM 0 HG21 VAL A 31 167.671 9.541 -15.211 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.418 10.624 -14.559 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.051 10.626 -13.852 1.00 0.00 H new ATOM 510 N GLU A 32 163.877 9.742 -12.326 1.00 0.00 N ATOM 511 CA GLU A 32 162.620 10.432 -12.615 1.00 0.00 C ATOM 512 C GLU A 32 162.235 11.381 -11.478 1.00 0.00 C ATOM 513 O GLU A 32 161.873 12.534 -11.719 1.00 0.00 O ATOM 514 CB GLU A 32 161.491 9.421 -12.851 1.00 0.00 C ATOM 515 CG GLU A 32 160.538 9.824 -13.966 1.00 0.00 C ATOM 516 CD GLU A 32 159.644 8.682 -14.412 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.170 7.706 -14.988 1.00 0.00 O ATOM 518 OE2 GLU A 32 158.418 8.764 -14.185 1.00 0.00 O ATOM 0 H GLU A 32 163.774 8.751 -12.105 1.00 0.00 H new ATOM 0 HA GLU A 32 162.768 11.020 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.927 8.451 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.925 9.298 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 32 159.918 10.654 -13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.114 10.184 -14.819 1.00 0.00 H new ATOM 525 N ALA A 33 162.304 10.885 -10.241 1.00 0.00 N ATOM 526 CA ALA A 33 161.950 11.684 -9.066 1.00 0.00 C ATOM 527 C ALA A 33 162.999 12.752 -8.759 1.00 0.00 C ATOM 528 O ALA A 33 162.659 13.909 -8.512 1.00 0.00 O ATOM 529 CB ALA A 33 161.748 10.784 -7.853 1.00 0.00 C ATOM 0 H ALA A 33 162.602 9.933 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 33 161.016 12.197 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.485 11.393 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.945 10.076 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.669 10.239 -7.647 1.00 0.00 H new ATOM 535 N LEU A 34 164.272 12.358 -8.765 1.00 0.00 N ATOM 536 CA LEU A 34 165.364 13.286 -8.473 1.00 0.00 C ATOM 537 C LEU A 34 165.741 14.130 -9.692 1.00 0.00 C ATOM 538 O LEU A 34 166.336 15.199 -9.548 1.00 0.00 O ATOM 539 CB LEU A 34 166.594 12.520 -7.979 1.00 0.00 C ATOM 540 CG LEU A 34 166.382 11.706 -6.700 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.545 10.750 -6.476 1.00 0.00 C ATOM 542 CD2 LEU A 34 166.206 12.631 -5.502 1.00 0.00 C ATOM 0 H LEU A 34 164.572 11.405 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 34 165.013 13.961 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.925 11.846 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.402 13.232 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 34 165.473 11.116 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.377 10.180 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.622 10.066 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.471 11.318 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 34 166.056 12.035 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 34 167.097 13.248 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 34 165.339 13.272 -5.661 1.00 0.00 H new ATOM 554 N GLY A 35 165.397 13.650 -10.888 1.00 0.00 N ATOM 555 CA GLY A 35 165.716 14.383 -12.103 1.00 0.00 C ATOM 556 C GLY A 35 167.210 14.466 -12.355 1.00 0.00 C ATOM 557 O GLY A 35 167.772 15.559 -12.409 1.00 0.00 O ATOM 0 H GLY A 35 164.905 12.769 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.234 13.900 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.306 15.390 -12.034 1.00 0.00 H new ATOM 561 N LEU A 36 167.853 13.307 -12.508 1.00 0.00 N ATOM 562 CA LEU A 36 169.294 13.256 -12.752 1.00 0.00 C ATOM 563 C LEU A 36 169.620 12.443 -14.007 1.00 0.00 C ATOM 564 O LEU A 36 170.159 11.337 -13.923 1.00 0.00 O ATOM 565 CB LEU A 36 170.037 12.679 -11.535 1.00 0.00 C ATOM 566 CG LEU A 36 169.259 11.657 -10.697 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.496 10.244 -11.211 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.656 11.765 -9.232 1.00 0.00 C ATOM 0 H LEU A 36 167.400 12.394 -12.467 1.00 0.00 H new ATOM 0 HA LEU A 36 169.634 14.279 -12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.956 12.209 -11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.328 13.505 -10.886 1.00 0.00 H new ATOM 0 HG LEU A 36 168.195 11.877 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.934 9.536 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.165 10.173 -12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.559 10.009 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.096 11.034 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.724 11.571 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.433 12.768 -8.868 1.00 0.00 H new ATOM 580 N HIS A 37 169.301 13.006 -15.173 1.00 0.00 N ATOM 581 CA HIS A 37 169.572 12.341 -16.450 1.00 0.00 C ATOM 582 C HIS A 37 171.078 12.193 -16.688 1.00 0.00 C ATOM 583 O HIS A 37 171.508 11.334 -17.459 1.00 0.00 O ATOM 584 CB HIS A 37 168.940 13.117 -17.613 1.00 0.00 C ATOM 585 CG HIS A 37 169.370 14.552 -17.689 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.614 14.947 -18.136 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.708 15.690 -17.372 1.00 0.00 C ATOM 588 CE1 HIS A 37 170.698 16.265 -18.090 1.00 0.00 C ATOM 589 NE2 HIS A 37 169.555 16.740 -17.630 1.00 0.00 N ATOM 0 H HIS A 37 168.855 13.919 -15.261 1.00 0.00 H new ATOM 0 HA HIS A 37 169.127 11.347 -16.402 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.195 12.621 -18.549 1.00 0.00 H new ATOM 0 HB3 HIS A 37 167.855 13.077 -17.517 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.701 15.759 -16.988 1.00 0.00 H new ATOM 0 HE1 HIS A 37 171.556 16.854 -18.379 1.00 0.00 H new ATOM 0 HE2 HIS A 37 169.337 17.726 -17.489 1.00 0.00 H new ATOM 598 N ASP A 38 171.873 13.035 -16.021 1.00 0.00 N ATOM 599 CA ASP A 38 173.327 13.000 -16.162 1.00 0.00 C ATOM 600 C ASP A 38 173.936 11.824 -15.393 1.00 0.00 C ATOM 601 O ASP A 38 175.058 11.407 -15.681 1.00 0.00 O ATOM 602 CB ASP A 38 173.940 14.317 -15.672 1.00 0.00 C ATOM 603 CG ASP A 38 173.588 14.628 -14.227 1.00 0.00 C ATOM 604 OD1 ASP A 38 172.403 14.918 -13.953 1.00 0.00 O ATOM 605 OD2 ASP A 38 174.495 14.581 -13.371 1.00 0.00 O ATOM 0 H ASP A 38 171.531 13.749 -15.378 1.00 0.00 H new ATOM 0 HA ASP A 38 173.555 12.867 -17.220 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.024 14.268 -15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 38 173.596 15.132 -16.309 1.00 0.00 H new ATOM 610 N TYR A 39 173.190 11.286 -14.423 1.00 0.00 N ATOM 611 CA TYR A 39 173.661 10.153 -13.630 1.00 0.00 C ATOM 612 C TYR A 39 174.003 8.964 -14.527 1.00 0.00 C ATOM 613 O TYR A 39 175.021 8.300 -14.329 1.00 0.00 O ATOM 614 CB TYR A 39 172.602 9.738 -12.608 1.00 0.00 C ATOM 615 CG TYR A 39 173.177 9.154 -11.337 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.856 7.940 -11.349 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.043 9.817 -10.126 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.383 7.406 -10.189 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.568 9.290 -8.961 1.00 0.00 C ATOM 620 CZ TYR A 39 174.237 8.085 -8.997 1.00 0.00 C ATOM 621 OH TYR A 39 174.761 7.557 -7.839 1.00 0.00 O ATOM 0 H TYR A 39 172.259 11.618 -14.171 1.00 0.00 H new ATOM 0 HA TYR A 39 174.563 10.465 -13.104 1.00 0.00 H new ATOM 0 HB2 TYR A 39 171.994 10.607 -12.355 1.00 0.00 H new ATOM 0 HB3 TYR A 39 171.937 9.005 -13.065 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.973 7.406 -12.280 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.520 10.761 -10.093 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.907 6.462 -10.215 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.455 9.820 -8.027 1.00 0.00 H new ATOM 0 HH TYR A 39 174.572 8.160 -7.090 1.00 0.00 H new ATOM 631 N CYS A 40 173.144 8.705 -15.516 1.00 0.00 N ATOM 632 CA CYS A 40 173.352 7.599 -16.451 1.00 0.00 C ATOM 633 C CYS A 40 174.666 7.768 -17.213 1.00 0.00 C ATOM 634 O CYS A 40 175.365 6.791 -17.485 1.00 0.00 O ATOM 635 CB CYS A 40 172.186 7.513 -17.439 1.00 0.00 C ATOM 636 SG CYS A 40 172.122 5.968 -18.375 1.00 0.00 S ATOM 0 H CYS A 40 172.298 9.247 -15.689 1.00 0.00 H new ATOM 0 HA CYS A 40 173.402 6.675 -15.875 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.251 7.632 -16.892 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.255 8.346 -18.138 1.00 0.00 H new ATOM 0 HG CYS A 40 171.102 5.991 -19.181 1.00 0.00 H new ATOM 642 N ASP A 41 174.995 9.016 -17.551 1.00 0.00 N ATOM 643 CA ASP A 41 176.226 9.318 -18.276 1.00 0.00 C ATOM 644 C ASP A 41 177.453 9.080 -17.395 1.00 0.00 C ATOM 645 O ASP A 41 178.471 8.570 -17.864 1.00 0.00 O ATOM 646 CB ASP A 41 176.212 10.767 -18.775 1.00 0.00 C ATOM 647 CG ASP A 41 177.304 11.043 -19.791 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.157 10.609 -20.954 1.00 0.00 O ATOM 649 OD2 ASP A 41 178.305 11.694 -19.426 1.00 0.00 O ATOM 0 H ASP A 41 174.424 9.833 -17.333 1.00 0.00 H new ATOM 0 HA ASP A 41 176.283 8.648 -19.134 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.242 10.985 -19.221 1.00 0.00 H new ATOM 0 HB3 ASP A 41 176.331 11.441 -17.927 1.00 0.00 H new ATOM 654 N ILE A 42 177.348 9.450 -16.117 1.00 0.00 N ATOM 655 CA ILE A 42 178.450 9.274 -15.172 1.00 0.00 C ATOM 656 C ILE A 42 178.634 7.800 -14.806 1.00 0.00 C ATOM 657 O ILE A 42 179.742 7.267 -14.892 1.00 0.00 O ATOM 658 CB ILE A 42 178.234 10.089 -13.876 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.900 11.547 -14.204 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.471 10.015 -12.988 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.156 12.261 -13.096 1.00 0.00 C ATOM 0 H ILE A 42 176.512 9.873 -15.714 1.00 0.00 H new ATOM 0 HA ILE A 42 179.346 9.640 -15.672 1.00 0.00 H new ATOM 0 HB ILE A 42 177.392 9.656 -13.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.825 12.084 -14.415 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.299 11.578 -15.113 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.302 10.594 -12.080 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.668 8.976 -12.724 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.328 10.422 -13.524 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.953 13.289 -13.398 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.215 11.747 -12.900 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.764 12.262 -12.191 1.00 0.00 H new ATOM 673 N ILE A 43 177.545 7.150 -14.393 1.00 0.00 N ATOM 674 CA ILE A 43 177.589 5.741 -14.010 1.00 0.00 C ATOM 675 C ILE A 43 176.503 4.942 -14.730 1.00 0.00 C ATOM 676 O ILE A 43 175.311 5.199 -14.554 1.00 0.00 O ATOM 677 CB ILE A 43 177.422 5.562 -12.482 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.400 6.465 -11.724 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.627 4.104 -12.086 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.928 6.839 -10.336 1.00 0.00 C ATOM 0 H ILE A 43 176.622 7.578 -14.316 1.00 0.00 H new ATOM 0 HA ILE A 43 178.569 5.364 -14.303 1.00 0.00 H new ATOM 0 HB ILE A 43 176.406 5.852 -12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 43 179.363 5.960 -11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 43 178.563 7.375 -12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.505 3.999 -11.008 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.892 3.482 -12.596 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.630 3.787 -12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.671 7.479 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 43 176.980 7.373 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 43 177.793 5.935 -9.742 1.00 0.00 H new ATOM 692 N LYS A 44 176.926 3.970 -15.538 1.00 0.00 N ATOM 693 CA LYS A 44 175.992 3.127 -16.286 1.00 0.00 C ATOM 694 C LYS A 44 175.363 2.058 -15.389 1.00 0.00 C ATOM 695 O LYS A 44 174.227 1.641 -15.618 1.00 0.00 O ATOM 696 CB LYS A 44 176.704 2.463 -17.469 1.00 0.00 C ATOM 697 CG LYS A 44 177.860 1.562 -17.059 1.00 0.00 C ATOM 698 CD LYS A 44 178.965 1.558 -18.103 1.00 0.00 C ATOM 699 CE LYS A 44 180.327 1.324 -17.468 1.00 0.00 C ATOM 700 NZ LYS A 44 181.422 1.983 -18.234 1.00 0.00 N ATOM 0 H LYS A 44 177.909 3.746 -15.692 1.00 0.00 H new ATOM 0 HA LYS A 44 175.194 3.768 -16.661 1.00 0.00 H new ATOM 0 HB2 LYS A 44 175.980 1.876 -18.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 177.078 3.238 -18.138 1.00 0.00 H new ATOM 0 HG2 LYS A 44 178.263 1.898 -16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 44 177.495 0.546 -16.911 1.00 0.00 H new ATOM 0 HD2 LYS A 44 178.768 0.781 -18.841 1.00 0.00 H new ATOM 0 HD3 LYS A 44 178.968 2.509 -18.635 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.320 1.704 -16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 44 180.520 0.253 -17.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.333 1.798 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.446 1.603 -19.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.253 3.009 -18.269 1.00 0.00 H new ATOM 714 N HIS A 45 176.108 1.617 -14.372 1.00 0.00 N ATOM 715 CA HIS A 45 175.623 0.597 -13.445 1.00 0.00 C ATOM 716 C HIS A 45 175.412 1.187 -12.046 1.00 0.00 C ATOM 717 O HIS A 45 176.233 0.990 -11.147 1.00 0.00 O ATOM 718 CB HIS A 45 176.613 -0.570 -13.386 1.00 0.00 C ATOM 719 CG HIS A 45 175.972 -1.895 -13.106 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.435 -2.767 -12.143 1.00 0.00 N ATOM 721 CD2 HIS A 45 174.901 -2.501 -13.673 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.679 -3.850 -12.130 1.00 0.00 C ATOM 723 NE2 HIS A 45 174.741 -3.713 -13.048 1.00 0.00 N ATOM 0 H HIS A 45 177.050 1.952 -14.171 1.00 0.00 H new ATOM 0 HA HIS A 45 174.662 0.230 -13.807 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.147 -0.629 -14.334 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.355 -0.366 -12.614 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.287 -2.105 -14.468 1.00 0.00 H new ATOM 0 HE1 HIS A 45 175.807 -4.702 -11.479 1.00 0.00 H new ATOM 0 HE2 HIS A 45 174.014 -4.397 -13.259 1.00 0.00 H new ATOM 732 N PRO A 46 174.304 1.928 -11.846 1.00 0.00 N ATOM 733 CA PRO A 46 173.987 2.552 -10.553 1.00 0.00 C ATOM 734 C PRO A 46 173.572 1.532 -9.493 1.00 0.00 C ATOM 735 O PRO A 46 173.066 0.456 -9.818 1.00 0.00 O ATOM 736 CB PRO A 46 172.818 3.482 -10.889 1.00 0.00 C ATOM 737 CG PRO A 46 172.168 2.855 -12.073 1.00 0.00 C ATOM 738 CD PRO A 46 173.276 2.218 -12.865 1.00 0.00 C ATOM 0 HA PRO A 46 174.850 3.062 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.124 3.564 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.166 4.490 -11.115 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.431 2.113 -11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.641 3.600 -12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.940 1.310 -13.367 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.654 2.888 -13.637 1.00 0.00 H new ATOM 746 N MET A 47 173.792 1.879 -8.223 1.00 0.00 N ATOM 747 CA MET A 47 173.443 0.994 -7.114 1.00 0.00 C ATOM 748 C MET A 47 173.283 1.777 -5.812 1.00 0.00 C ATOM 749 O MET A 47 174.020 2.730 -5.556 1.00 0.00 O ATOM 750 CB MET A 47 174.513 -0.088 -6.944 1.00 0.00 C ATOM 751 CG MET A 47 173.944 -1.462 -6.626 1.00 0.00 C ATOM 752 SD MET A 47 173.952 -2.562 -8.055 1.00 0.00 S ATOM 753 CE MET A 47 172.724 -3.768 -7.563 1.00 0.00 C ATOM 0 H MET A 47 174.210 2.765 -7.939 1.00 0.00 H new ATOM 0 HA MET A 47 172.489 0.522 -7.348 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.103 -0.151 -7.859 1.00 0.00 H new ATOM 0 HB3 MET A 47 175.194 0.208 -6.146 1.00 0.00 H new ATOM 0 HG2 MET A 47 174.523 -1.914 -5.821 1.00 0.00 H new ATOM 0 HG3 MET A 47 172.923 -1.353 -6.261 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.789 -4.640 -8.214 1.00 0.00 H new ATOM 0 HE2 MET A 47 172.904 -4.071 -6.532 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.730 -3.329 -7.643 1.00 0.00 H new ATOM 763 N ASP A 48 172.315 1.364 -4.992 1.00 0.00 N ATOM 764 CA ASP A 48 172.054 2.021 -3.712 1.00 0.00 C ATOM 765 C ASP A 48 171.749 0.993 -2.625 1.00 0.00 C ATOM 766 O ASP A 48 171.506 -0.179 -2.916 1.00 0.00 O ATOM 767 CB ASP A 48 170.883 2.998 -3.840 1.00 0.00 C ATOM 768 CG ASP A 48 171.147 4.093 -4.856 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.698 5.142 -4.467 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.800 3.900 -6.040 1.00 0.00 O ATOM 0 H ASP A 48 171.699 0.576 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 48 172.951 2.573 -3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.986 2.449 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.683 3.449 -2.868 1.00 0.00 H new ATOM 775 N MET A 49 171.754 1.443 -1.369 1.00 0.00 N ATOM 776 CA MET A 49 171.469 0.564 -0.235 1.00 0.00 C ATOM 777 C MET A 49 170.097 -0.088 -0.382 1.00 0.00 C ATOM 778 O MET A 49 169.939 -1.281 -0.119 1.00 0.00 O ATOM 779 CB MET A 49 171.538 1.340 1.082 1.00 0.00 C ATOM 780 CG MET A 49 172.146 0.543 2.226 1.00 0.00 C ATOM 781 SD MET A 49 173.874 0.960 2.525 1.00 0.00 S ATOM 782 CE MET A 49 173.727 2.666 3.051 1.00 0.00 C ATOM 0 H MET A 49 171.952 2.410 -1.112 1.00 0.00 H new ATOM 0 HA MET A 49 172.227 -0.219 -0.223 1.00 0.00 H new ATOM 0 HB2 MET A 49 172.124 2.246 0.930 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.533 1.654 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.571 0.723 3.134 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.067 -0.521 2.004 1.00 0.00 H new ATOM 0 HE1 MET A 49 174.303 3.304 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.679 2.965 3.026 1.00 0.00 H new ATOM 0 HE3 MET A 49 174.109 2.768 4.067 1.00 0.00 H new ATOM 792 N SER A 50 169.110 0.699 -0.814 1.00 0.00 N ATOM 793 CA SER A 50 167.752 0.194 -1.009 1.00 0.00 C ATOM 794 C SER A 50 167.726 -0.862 -2.113 1.00 0.00 C ATOM 795 O SER A 50 167.012 -1.859 -2.011 1.00 0.00 O ATOM 796 CB SER A 50 166.798 1.342 -1.356 1.00 0.00 C ATOM 797 OG SER A 50 165.508 0.857 -1.692 1.00 0.00 O ATOM 0 H SER A 50 169.227 1.688 -1.035 1.00 0.00 H new ATOM 0 HA SER A 50 167.422 -0.267 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.723 2.024 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.203 1.914 -2.191 1.00 0.00 H new ATOM 0 HG SER A 50 164.852 1.579 -1.595 1.00 0.00 H new ATOM 803 N THR A 51 168.517 -0.638 -3.163 1.00 0.00 N ATOM 804 CA THR A 51 168.592 -1.574 -4.282 1.00 0.00 C ATOM 805 C THR A 51 169.197 -2.904 -3.835 1.00 0.00 C ATOM 806 O THR A 51 168.698 -3.973 -4.192 1.00 0.00 O ATOM 807 CB THR A 51 169.421 -0.979 -5.428 1.00 0.00 C ATOM 808 OG1 THR A 51 169.206 0.419 -5.540 1.00 0.00 O ATOM 809 CG2 THR A 51 169.114 -1.601 -6.774 1.00 0.00 C ATOM 0 H THR A 51 169.114 0.183 -3.261 1.00 0.00 H new ATOM 0 HA THR A 51 167.578 -1.755 -4.639 1.00 0.00 H new ATOM 0 HB THR A 51 170.458 -1.196 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.746 0.775 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.734 -1.135 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.324 -2.670 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.062 -1.446 -7.015 1.00 0.00 H new ATOM 817 N ILE A 52 170.271 -2.831 -3.048 1.00 0.00 N ATOM 818 CA ILE A 52 170.940 -4.030 -2.550 1.00 0.00 C ATOM 819 C ILE A 52 170.077 -4.751 -1.514 1.00 0.00 C ATOM 820 O ILE A 52 169.927 -5.972 -1.564 1.00 0.00 O ATOM 821 CB ILE A 52 172.314 -3.697 -1.922 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.169 -2.880 -2.898 1.00 0.00 C ATOM 823 CG2 ILE A 52 173.041 -4.973 -1.520 1.00 0.00 C ATOM 824 CD1 ILE A 52 174.262 -2.079 -2.222 1.00 0.00 C ATOM 0 H ILE A 52 170.695 -1.955 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 52 171.095 -4.683 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 52 172.145 -3.098 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.621 -3.555 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.523 -2.200 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 52 174.005 -4.719 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 52 172.442 -5.519 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 52 173.197 -5.596 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.826 -1.526 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.816 -1.379 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.932 -2.754 -1.690 1.00 0.00 H new ATOM 836 N LYS A 53 169.503 -3.989 -0.582 1.00 0.00 N ATOM 837 CA LYS A 53 168.649 -4.564 0.457 1.00 0.00 C ATOM 838 C LYS A 53 167.411 -5.217 -0.154 1.00 0.00 C ATOM 839 O LYS A 53 166.931 -6.234 0.346 1.00 0.00 O ATOM 840 CB LYS A 53 168.225 -3.494 1.469 1.00 0.00 C ATOM 841 CG LYS A 53 168.335 -3.948 2.916 1.00 0.00 C ATOM 842 CD LYS A 53 166.994 -4.419 3.458 1.00 0.00 C ATOM 843 CE LYS A 53 167.169 -5.438 4.575 1.00 0.00 C ATOM 844 NZ LYS A 53 166.106 -6.482 4.554 1.00 0.00 N ATOM 0 H LYS A 53 169.613 -2.977 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 53 169.229 -5.328 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.842 -2.607 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 53 167.195 -3.201 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 169.062 -4.756 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.708 -3.127 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.430 -3.563 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.409 -4.860 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 53 168.145 -5.914 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 53 167.155 -4.926 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 166.027 -6.916 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.197 -6.047 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 166.351 -7.213 3.855 1.00 0.00 H new ATOM 858 N SER A 54 166.903 -4.626 -1.238 1.00 0.00 N ATOM 859 CA SER A 54 165.721 -5.149 -1.923 1.00 0.00 C ATOM 860 C SER A 54 165.943 -6.595 -2.369 1.00 0.00 C ATOM 861 O SER A 54 165.048 -7.432 -2.246 1.00 0.00 O ATOM 862 CB SER A 54 165.371 -4.270 -3.129 1.00 0.00 C ATOM 863 OG SER A 54 164.296 -4.816 -3.874 1.00 0.00 O ATOM 0 H SER A 54 167.293 -3.783 -1.660 1.00 0.00 H new ATOM 0 HA SER A 54 164.887 -5.132 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.107 -3.269 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 54 166.245 -4.167 -3.772 1.00 0.00 H new ATOM 0 HG SER A 54 164.096 -4.232 -4.635 1.00 0.00 H new ATOM 869 N LYS A 55 167.145 -6.888 -2.874 1.00 0.00 N ATOM 870 CA LYS A 55 167.479 -8.240 -3.319 1.00 0.00 C ATOM 871 C LYS A 55 167.365 -9.224 -2.154 1.00 0.00 C ATOM 872 O LYS A 55 166.758 -10.287 -2.284 1.00 0.00 O ATOM 873 CB LYS A 55 168.894 -8.281 -3.909 1.00 0.00 C ATOM 874 CG LYS A 55 168.931 -8.645 -5.387 1.00 0.00 C ATOM 875 CD LYS A 55 170.358 -8.766 -5.900 1.00 0.00 C ATOM 876 CE LYS A 55 170.855 -7.453 -6.489 1.00 0.00 C ATOM 877 NZ LYS A 55 172.111 -7.632 -7.273 1.00 0.00 N ATOM 0 H LYS A 55 167.898 -6.209 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 55 166.772 -8.530 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.363 -7.307 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.490 -9.003 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.407 -9.588 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.400 -7.886 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 55 171.014 -9.071 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 55 170.408 -9.548 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 55 170.084 -7.029 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 171.028 -6.738 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 172.862 -7.040 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 172.401 -8.630 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.947 -7.351 -8.261 1.00 0.00 H new ATOM 891 N LEU A 56 167.939 -8.848 -1.010 1.00 0.00 N ATOM 892 CA LEU A 56 167.891 -9.682 0.190 1.00 0.00 C ATOM 893 C LEU A 56 166.447 -9.841 0.677 1.00 0.00 C ATOM 894 O LEU A 56 166.071 -10.895 1.193 1.00 0.00 O ATOM 895 CB LEU A 56 168.770 -9.063 1.289 1.00 0.00 C ATOM 896 CG LEU A 56 168.499 -9.542 2.721 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.788 -11.030 2.856 1.00 0.00 C ATOM 898 CD2 LEU A 56 169.339 -8.744 3.712 1.00 0.00 C ATOM 0 H LEU A 56 168.443 -7.969 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 56 168.276 -10.673 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.813 -9.269 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.644 -7.981 1.260 1.00 0.00 H new ATOM 0 HG LEU A 56 167.445 -9.379 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.589 -11.348 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 168.149 -11.588 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.833 -11.221 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 169.137 -9.094 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 170.396 -8.880 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 169.085 -7.687 3.636 1.00 0.00 H new ATOM 910 N GLU A 57 165.643 -8.788 0.503 1.00 0.00 N ATOM 911 CA GLU A 57 164.240 -8.806 0.918 1.00 0.00 C ATOM 912 C GLU A 57 163.442 -9.850 0.135 1.00 0.00 C ATOM 913 O GLU A 57 162.568 -10.517 0.691 1.00 0.00 O ATOM 914 CB GLU A 57 163.609 -7.422 0.732 1.00 0.00 C ATOM 915 CG GLU A 57 164.210 -6.359 1.636 1.00 0.00 C ATOM 916 CD GLU A 57 163.158 -5.512 2.322 1.00 0.00 C ATOM 917 OE1 GLU A 57 162.637 -5.948 3.370 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.857 -4.412 1.814 1.00 0.00 O ATOM 0 H GLU A 57 165.942 -7.911 0.076 1.00 0.00 H new ATOM 0 HA GLU A 57 164.211 -9.074 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.727 -7.114 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.538 -7.490 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.833 -6.839 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.863 -5.714 1.048 1.00 0.00 H new ATOM 925 N ALA A 58 163.748 -9.988 -1.157 1.00 0.00 N ATOM 926 CA ALA A 58 163.056 -10.954 -2.013 1.00 0.00 C ATOM 927 C ALA A 58 163.746 -12.327 -2.010 1.00 0.00 C ATOM 928 O ALA A 58 163.475 -13.161 -2.875 1.00 0.00 O ATOM 929 CB ALA A 58 162.956 -10.419 -3.437 1.00 0.00 C ATOM 0 H ALA A 58 164.468 -9.445 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 58 162.054 -11.091 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.440 -11.146 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 162.400 -9.482 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.957 -10.246 -3.832 1.00 0.00 H new ATOM 935 N ARG A 59 164.639 -12.557 -1.040 1.00 0.00 N ATOM 936 CA ARG A 59 165.366 -13.825 -0.934 1.00 0.00 C ATOM 937 C ARG A 59 166.164 -14.124 -2.207 1.00 0.00 C ATOM 938 O ARG A 59 166.431 -15.286 -2.522 1.00 0.00 O ATOM 939 CB ARG A 59 164.401 -14.979 -0.633 1.00 0.00 C ATOM 940 CG ARG A 59 163.961 -15.044 0.823 1.00 0.00 C ATOM 941 CD ARG A 59 163.675 -16.472 1.267 1.00 0.00 C ATOM 942 NE ARG A 59 162.663 -17.125 0.432 1.00 0.00 N ATOM 943 CZ ARG A 59 162.011 -18.239 0.780 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.256 -18.831 1.947 1.00 0.00 N ATOM 945 NH2 ARG A 59 161.111 -18.766 -0.042 1.00 0.00 N ATOM 0 H ARG A 59 164.875 -11.879 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 59 166.071 -13.729 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.519 -14.878 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.880 -15.921 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.738 -14.616 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 59 163.067 -14.436 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 59 164.598 -17.051 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 59 163.338 -16.467 2.304 1.00 0.00 H new ATOM 0 HE ARG A 59 162.443 -16.704 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 59 162.946 -18.435 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 59 161.753 -19.681 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 160.917 -18.321 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 59 160.614 -19.616 0.224 1.00 0.00 H new ATOM 959 N GLU A 60 166.559 -13.071 -2.927 1.00 0.00 N ATOM 960 CA GLU A 60 167.342 -13.231 -4.152 1.00 0.00 C ATOM 961 C GLU A 60 168.793 -13.578 -3.820 1.00 0.00 C ATOM 962 O GLU A 60 169.451 -14.307 -4.565 1.00 0.00 O ATOM 963 CB GLU A 60 167.291 -11.956 -4.999 1.00 0.00 C ATOM 964 CG GLU A 60 166.126 -11.914 -5.978 1.00 0.00 C ATOM 965 CD GLU A 60 166.570 -11.708 -7.416 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.358 -10.771 -7.669 1.00 0.00 O ATOM 967 OE2 GLU A 60 166.123 -12.480 -8.290 1.00 0.00 O ATOM 0 H GLU A 60 166.350 -12.103 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 60 166.906 -14.049 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.227 -11.093 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.224 -11.863 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.564 -12.845 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.448 -11.110 -5.694 1.00 0.00 H new ATOM 974 N TYR A 61 169.285 -13.054 -2.696 1.00 0.00 N ATOM 975 CA TYR A 61 170.655 -13.311 -2.261 1.00 0.00 C ATOM 976 C TYR A 61 170.813 -14.748 -1.776 1.00 0.00 C ATOM 977 O TYR A 61 170.373 -15.098 -0.678 1.00 0.00 O ATOM 978 CB TYR A 61 171.056 -12.332 -1.155 1.00 0.00 C ATOM 979 CG TYR A 61 171.619 -11.025 -1.679 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.685 -11.015 -2.572 1.00 0.00 C ATOM 981 CD2 TYR A 61 171.087 -9.805 -1.280 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.202 -9.828 -3.051 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.600 -8.616 -1.757 1.00 0.00 C ATOM 984 CZ TYR A 61 172.655 -8.633 -2.641 1.00 0.00 C ATOM 985 OH TYR A 61 173.165 -7.449 -3.115 1.00 0.00 O ATOM 0 H TYR A 61 168.753 -12.449 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 61 171.314 -13.165 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 61 170.185 -12.121 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.798 -12.806 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 61 173.115 -11.951 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 61 170.260 -9.787 -0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 61 174.031 -9.837 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.175 -7.676 -1.438 1.00 0.00 H new ATOM 0 HH TYR A 61 172.463 -6.958 -3.592 1.00 0.00 H new ATOM 995 N ARG A 62 171.449 -15.576 -2.605 1.00 0.00 N ATOM 996 CA ARG A 62 171.678 -16.980 -2.269 1.00 0.00 C ATOM 997 C ARG A 62 172.624 -17.112 -1.076 1.00 0.00 C ATOM 998 O ARG A 62 172.522 -18.062 -0.298 1.00 0.00 O ATOM 999 CB ARG A 62 172.255 -17.729 -3.474 1.00 0.00 C ATOM 1000 CG ARG A 62 171.214 -18.092 -4.524 1.00 0.00 C ATOM 1001 CD ARG A 62 171.831 -18.211 -5.910 1.00 0.00 C ATOM 1002 NE ARG A 62 170.852 -17.964 -6.971 1.00 0.00 N ATOM 1003 CZ ARG A 62 171.009 -18.352 -8.241 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.109 -18.998 -8.621 1.00 0.00 N ATOM 1005 NH2 ARG A 62 170.064 -18.088 -9.136 1.00 0.00 N ATOM 0 H ARG A 62 171.815 -15.297 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 62 170.718 -17.421 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 62 173.027 -17.114 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.740 -18.641 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 170.739 -19.035 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.431 -17.334 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 62 172.653 -17.501 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.255 -19.207 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 62 169.997 -17.465 -6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.842 -19.201 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 62 172.219 -19.290 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 62 169.220 -17.590 -8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 62 170.183 -18.383 -10.105 1.00 0.00 H new ATOM 1019 N ASP A 63 173.544 -16.154 -0.935 1.00 0.00 N ATOM 1020 CA ASP A 63 174.504 -16.172 0.167 1.00 0.00 C ATOM 1021 C ASP A 63 175.042 -14.772 0.455 1.00 0.00 C ATOM 1022 O ASP A 63 174.780 -13.829 -0.296 1.00 0.00 O ATOM 1023 CB ASP A 63 175.663 -17.124 -0.155 1.00 0.00 C ATOM 1024 CG ASP A 63 175.839 -18.209 0.893 1.00 0.00 C ATOM 1025 OD1 ASP A 63 174.822 -18.780 1.339 1.00 0.00 O ATOM 1026 OD2 ASP A 63 176.997 -18.490 1.265 1.00 0.00 O ATOM 0 H ASP A 63 173.643 -15.360 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 63 173.986 -16.526 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.488 -17.587 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.586 -16.551 -0.237 1.00 0.00 H new ATOM 1031 N ALA A 64 175.806 -14.645 1.544 1.00 0.00 N ATOM 1032 CA ALA A 64 176.394 -13.361 1.929 1.00 0.00 C ATOM 1033 C ALA A 64 177.501 -12.936 0.963 1.00 0.00 C ATOM 1034 O ALA A 64 177.889 -11.767 0.934 1.00 0.00 O ATOM 1035 CB ALA A 64 176.935 -13.422 3.352 1.00 0.00 C ATOM 0 H ALA A 64 176.031 -15.416 2.173 1.00 0.00 H new ATOM 0 HA ALA A 64 175.602 -12.613 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.368 -12.458 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.123 -13.658 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.702 -14.194 3.417 1.00 0.00 H new ATOM 1041 N GLN A 65 178.002 -13.886 0.166 1.00 0.00 N ATOM 1042 CA GLN A 65 179.056 -13.597 -0.801 1.00 0.00 C ATOM 1043 C GLN A 65 178.563 -12.594 -1.843 1.00 0.00 C ATOM 1044 O GLN A 65 179.274 -11.650 -2.192 1.00 0.00 O ATOM 1045 CB GLN A 65 179.518 -14.888 -1.487 1.00 0.00 C ATOM 1046 CG GLN A 65 180.646 -15.601 -0.755 1.00 0.00 C ATOM 1047 CD GLN A 65 180.293 -17.028 -0.373 1.00 0.00 C ATOM 1048 OE1 GLN A 65 179.693 -17.762 -1.158 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.667 -17.428 0.837 1.00 0.00 N ATOM 0 H GLN A 65 177.693 -14.858 0.174 1.00 0.00 H new ATOM 0 HA GLN A 65 179.902 -13.161 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.669 -15.566 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.845 -14.653 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.535 -15.608 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.899 -15.041 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.163 -16.786 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 65 180.459 -18.377 1.148 1.00 0.00 H new ATOM 1058 N GLU A 66 177.336 -12.798 -2.326 1.00 0.00 N ATOM 1059 CA GLU A 66 176.742 -11.902 -3.317 1.00 0.00 C ATOM 1060 C GLU A 66 176.419 -10.541 -2.700 1.00 0.00 C ATOM 1061 O GLU A 66 176.632 -9.500 -3.325 1.00 0.00 O ATOM 1062 CB GLU A 66 175.466 -12.517 -3.895 1.00 0.00 C ATOM 1063 CG GLU A 66 175.705 -13.391 -5.115 1.00 0.00 C ATOM 1064 CD GLU A 66 174.438 -14.071 -5.597 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.071 -15.118 -5.023 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.813 -13.555 -6.547 1.00 0.00 O ATOM 0 H GLU A 66 176.736 -13.574 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 66 177.469 -11.760 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.979 -13.112 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.777 -11.716 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 66 176.116 -12.782 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.452 -14.148 -4.875 1.00 0.00 H new ATOM 1073 N PHE A 67 175.905 -10.557 -1.467 1.00 0.00 N ATOM 1074 CA PHE A 67 175.554 -9.326 -0.761 1.00 0.00 C ATOM 1075 C PHE A 67 176.776 -8.428 -0.599 1.00 0.00 C ATOM 1076 O PHE A 67 176.751 -7.255 -0.978 1.00 0.00 O ATOM 1077 CB PHE A 67 174.965 -9.653 0.614 1.00 0.00 C ATOM 1078 CG PHE A 67 174.503 -8.442 1.375 1.00 0.00 C ATOM 1079 CD1 PHE A 67 173.220 -7.951 1.206 1.00 0.00 C ATOM 1080 CD2 PHE A 67 175.353 -7.798 2.260 1.00 0.00 C ATOM 1081 CE1 PHE A 67 172.791 -6.839 1.905 1.00 0.00 C ATOM 1082 CE2 PHE A 67 174.930 -6.686 2.961 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.647 -6.206 2.783 1.00 0.00 C ATOM 0 H PHE A 67 175.723 -11.410 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 67 174.808 -8.796 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.124 -10.334 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.715 -10.179 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 67 172.546 -8.443 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 67 176.357 -8.170 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 67 171.787 -6.466 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 67 175.602 -6.192 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 67 173.314 -5.336 3.330 1.00 0.00 H new ATOM 1093 N GLY A 68 177.845 -8.994 -0.036 1.00 0.00 N ATOM 1094 CA GLY A 68 179.072 -8.247 0.171 1.00 0.00 C ATOM 1095 C GLY A 68 179.650 -7.696 -1.123 1.00 0.00 C ATOM 1096 O GLY A 68 180.277 -6.636 -1.122 1.00 0.00 O ATOM 0 H GLY A 68 177.879 -9.963 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.879 -7.423 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.810 -8.893 0.647 1.00 0.00 H new ATOM 1100 N ALA A 69 179.438 -8.416 -2.228 1.00 0.00 N ATOM 1101 CA ALA A 69 179.943 -7.991 -3.534 1.00 0.00 C ATOM 1102 C ALA A 69 179.295 -6.680 -3.983 1.00 0.00 C ATOM 1103 O ALA A 69 179.981 -5.775 -4.463 1.00 0.00 O ATOM 1104 CB ALA A 69 179.714 -9.079 -4.576 1.00 0.00 C ATOM 0 H ALA A 69 178.921 -9.295 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 69 181.015 -7.819 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.096 -8.745 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.235 -9.987 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.647 -9.284 -4.660 1.00 0.00 H new ATOM 1110 N ASP A 70 177.974 -6.580 -3.820 1.00 0.00 N ATOM 1111 CA ASP A 70 177.240 -5.374 -4.208 1.00 0.00 C ATOM 1112 C ASP A 70 177.640 -4.181 -3.341 1.00 0.00 C ATOM 1113 O ASP A 70 177.635 -3.041 -3.808 1.00 0.00 O ATOM 1114 CB ASP A 70 175.730 -5.604 -4.110 1.00 0.00 C ATOM 1115 CG ASP A 70 175.199 -6.461 -5.242 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.301 -7.701 -5.146 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.677 -5.894 -6.222 1.00 0.00 O ATOM 0 H ASP A 70 177.392 -7.318 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 70 177.498 -5.151 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.500 -6.082 -3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.218 -4.642 -4.116 1.00 0.00 H new ATOM 1122 N VAL A 71 177.991 -4.445 -2.082 1.00 0.00 N ATOM 1123 CA VAL A 71 178.398 -3.384 -1.166 1.00 0.00 C ATOM 1124 C VAL A 71 179.636 -2.664 -1.695 1.00 0.00 C ATOM 1125 O VAL A 71 179.674 -1.433 -1.746 1.00 0.00 O ATOM 1126 CB VAL A 71 178.693 -3.926 0.250 1.00 0.00 C ATOM 1127 CG1 VAL A 71 179.017 -2.783 1.200 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.521 -4.747 0.773 1.00 0.00 C ATOM 0 H VAL A 71 178.001 -5.381 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 71 177.564 -2.685 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 71 179.562 -4.581 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 71 179.222 -3.182 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.893 -2.245 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 71 178.168 -2.101 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.753 -5.118 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.629 -4.122 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.341 -5.590 0.106 1.00 0.00 H new ATOM 1138 N ARG A 72 180.642 -3.440 -2.099 1.00 0.00 N ATOM 1139 CA ARG A 72 181.876 -2.875 -2.637 1.00 0.00 C ATOM 1140 C ARG A 72 181.604 -2.128 -3.943 1.00 0.00 C ATOM 1141 O ARG A 72 182.187 -1.073 -4.197 1.00 0.00 O ATOM 1142 CB ARG A 72 182.914 -3.979 -2.868 1.00 0.00 C ATOM 1143 CG ARG A 72 183.801 -4.245 -1.662 1.00 0.00 C ATOM 1144 CD ARG A 72 185.022 -5.072 -2.039 1.00 0.00 C ATOM 1145 NE ARG A 72 186.191 -4.726 -1.232 1.00 0.00 N ATOM 1146 CZ ARG A 72 186.951 -3.647 -1.442 1.00 0.00 C ATOM 1147 NH1 ARG A 72 186.664 -2.800 -2.429 1.00 0.00 N ATOM 1148 NH2 ARG A 72 187.999 -3.413 -0.661 1.00 0.00 N ATOM 0 H ARG A 72 180.625 -4.459 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 72 182.272 -2.167 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.398 -4.900 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.541 -3.704 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 72 184.122 -3.298 -1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 72 183.228 -4.768 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.795 -6.131 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 185.252 -4.919 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 72 186.442 -5.346 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 72 185.859 -2.973 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 72 187.249 -1.979 -2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 72 188.223 -4.056 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 188.580 -2.590 -0.820 1.00 0.00 H new ATOM 1162 N LEU A 73 180.705 -2.679 -4.764 1.00 0.00 N ATOM 1163 CA LEU A 73 180.344 -2.062 -6.040 1.00 0.00 C ATOM 1164 C LEU A 73 179.620 -0.735 -5.812 1.00 0.00 C ATOM 1165 O LEU A 73 179.936 0.272 -6.450 1.00 0.00 O ATOM 1166 CB LEU A 73 179.461 -3.012 -6.861 1.00 0.00 C ATOM 1167 CG LEU A 73 178.988 -2.469 -8.215 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.060 -2.665 -9.277 1.00 0.00 C ATOM 1169 CD2 LEU A 73 177.688 -3.144 -8.633 1.00 0.00 C ATOM 0 H LEU A 73 180.215 -3.551 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 73 181.260 -1.865 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.013 -3.936 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.585 -3.270 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 73 178.804 -1.400 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.704 -2.273 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.966 -2.135 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.279 -3.728 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.365 -2.748 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.847 -4.219 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 73 176.920 -2.949 -7.885 1.00 0.00 H new ATOM 1181 N MET A 74 178.651 -0.742 -4.893 1.00 0.00 N ATOM 1182 CA MET A 74 177.881 0.459 -4.571 1.00 0.00 C ATOM 1183 C MET A 74 178.794 1.578 -4.079 1.00 0.00 C ATOM 1184 O MET A 74 178.679 2.720 -4.521 1.00 0.00 O ATOM 1185 CB MET A 74 176.820 0.148 -3.512 1.00 0.00 C ATOM 1186 CG MET A 74 175.677 1.151 -3.485 1.00 0.00 C ATOM 1187 SD MET A 74 175.779 2.289 -2.090 1.00 0.00 S ATOM 1188 CE MET A 74 174.982 1.326 -0.808 1.00 0.00 C ATOM 0 H MET A 74 178.382 -1.568 -4.359 1.00 0.00 H new ATOM 0 HA MET A 74 177.385 0.793 -5.482 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.415 -0.847 -3.696 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.294 0.123 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.678 1.721 -4.414 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.729 0.614 -3.442 1.00 0.00 H new ATOM 0 HE1 MET A 74 174.493 1.996 -0.100 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.238 0.667 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.728 0.728 -0.285 1.00 0.00 H new ATOM 1198 N PHE A 75 179.707 1.240 -3.168 1.00 0.00 N ATOM 1199 CA PHE A 75 180.646 2.217 -2.626 1.00 0.00 C ATOM 1200 C PHE A 75 181.587 2.732 -3.715 1.00 0.00 C ATOM 1201 O PHE A 75 181.969 3.903 -3.709 1.00 0.00 O ATOM 1202 CB PHE A 75 181.461 1.604 -1.483 1.00 0.00 C ATOM 1203 CG PHE A 75 180.804 1.734 -0.137 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.499 2.983 0.383 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.489 0.609 0.607 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.892 3.106 1.617 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.882 0.726 1.844 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.584 1.976 2.349 1.00 0.00 C ATOM 0 H PHE A 75 179.815 0.298 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 75 180.068 3.056 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.631 0.548 -1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.439 2.083 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.739 3.870 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.720 -0.371 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.658 4.085 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.641 -0.159 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.111 2.070 3.315 1.00 0.00 H new ATOM 1218 N SER A 76 181.955 1.849 -4.649 1.00 0.00 N ATOM 1219 CA SER A 76 182.851 2.219 -5.745 1.00 0.00 C ATOM 1220 C SER A 76 182.252 3.341 -6.592 1.00 0.00 C ATOM 1221 O SER A 76 182.932 4.322 -6.896 1.00 0.00 O ATOM 1222 CB SER A 76 183.158 1.006 -6.629 1.00 0.00 C ATOM 1223 OG SER A 76 184.445 1.114 -7.217 1.00 0.00 O ATOM 0 H SER A 76 181.647 0.877 -4.667 1.00 0.00 H new ATOM 0 HA SER A 76 183.781 2.578 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.102 0.095 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 76 182.403 0.922 -7.411 1.00 0.00 H new ATOM 0 HG SER A 76 184.617 0.327 -7.775 1.00 0.00 H new ATOM 1229 N ASN A 77 180.976 3.200 -6.967 1.00 0.00 N ATOM 1230 CA ASN A 77 180.306 4.223 -7.772 1.00 0.00 C ATOM 1231 C ASN A 77 179.949 5.441 -6.919 1.00 0.00 C ATOM 1232 O ASN A 77 179.924 6.568 -7.416 1.00 0.00 O ATOM 1233 CB ASN A 77 179.058 3.657 -8.468 1.00 0.00 C ATOM 1234 CG ASN A 77 177.920 3.321 -7.516 1.00 0.00 C ATOM 1235 OD1 ASN A 77 177.444 4.176 -6.770 1.00 0.00 O ATOM 1236 ND2 ASN A 77 177.468 2.070 -7.549 1.00 0.00 N ATOM 0 H ASN A 77 180.394 2.397 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 77 181.002 4.543 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.703 4.381 -9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.337 2.758 -9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 77 176.699 1.789 -6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 77 177.891 1.392 -8.183 1.00 0.00 H new ATOM 1243 N CYS A 78 179.685 5.208 -5.629 1.00 0.00 N ATOM 1244 CA CYS A 78 179.346 6.288 -4.704 1.00 0.00 C ATOM 1245 C CYS A 78 180.490 7.297 -4.607 1.00 0.00 C ATOM 1246 O CYS A 78 180.261 8.506 -4.585 1.00 0.00 O ATOM 1247 CB CYS A 78 179.021 5.729 -3.315 1.00 0.00 C ATOM 1248 SG CYS A 78 177.274 5.330 -3.066 1.00 0.00 S ATOM 0 H CYS A 78 179.700 4.281 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 78 178.464 6.797 -5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.615 4.830 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.327 6.456 -2.563 1.00 0.00 H new ATOM 0 HG CYS A 78 177.158 4.080 -2.728 1.00 0.00 H new ATOM 1254 N TYR A 79 181.724 6.790 -4.557 1.00 0.00 N ATOM 1255 CA TYR A 79 182.907 7.650 -4.473 1.00 0.00 C ATOM 1256 C TYR A 79 183.023 8.543 -5.710 1.00 0.00 C ATOM 1257 O TYR A 79 183.482 9.682 -5.618 1.00 0.00 O ATOM 1258 CB TYR A 79 184.178 6.806 -4.316 1.00 0.00 C ATOM 1259 CG TYR A 79 185.437 7.626 -4.111 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.580 8.449 -3.000 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.480 7.577 -5.030 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.725 9.198 -2.811 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.628 8.324 -4.846 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.746 9.132 -3.735 1.00 0.00 C ATOM 1265 OH TYR A 79 188.888 9.878 -3.549 1.00 0.00 O ATOM 0 H TYR A 79 181.930 5.791 -4.573 1.00 0.00 H new ATOM 0 HA TYR A 79 182.796 8.287 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.053 6.132 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.301 6.184 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.783 8.504 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.391 6.945 -5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.820 9.833 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.429 8.275 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 79 189.509 9.716 -4.290 1.00 0.00 H new ATOM 1275 N LYS A 80 182.602 8.022 -6.864 1.00 0.00 N ATOM 1276 CA LYS A 80 182.657 8.778 -8.112 1.00 0.00 C ATOM 1277 C LYS A 80 181.699 9.967 -8.072 1.00 0.00 C ATOM 1278 O LYS A 80 182.073 11.085 -8.430 1.00 0.00 O ATOM 1279 CB LYS A 80 182.318 7.874 -9.301 1.00 0.00 C ATOM 1280 CG LYS A 80 183.021 8.272 -10.587 1.00 0.00 C ATOM 1281 CD LYS A 80 182.457 7.521 -11.783 1.00 0.00 C ATOM 1282 CE LYS A 80 182.874 8.166 -13.097 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.310 7.919 -13.412 1.00 0.00 N ATOM 0 H LYS A 80 182.220 7.081 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 80 183.672 9.156 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 80 182.585 6.847 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.241 7.892 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.913 9.345 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.088 8.069 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 80 182.801 6.487 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 80 181.369 7.497 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.254 7.776 -13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 80 182.694 9.240 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.551 8.376 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.904 8.313 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.478 6.895 -13.486 1.00 0.00 H new ATOM 1297 N TYR A 81 180.464 9.719 -7.637 1.00 0.00 N ATOM 1298 CA TYR A 81 179.454 10.774 -7.551 1.00 0.00 C ATOM 1299 C TYR A 81 179.786 11.770 -6.437 1.00 0.00 C ATOM 1300 O TYR A 81 179.588 12.975 -6.598 1.00 0.00 O ATOM 1301 CB TYR A 81 178.064 10.172 -7.323 1.00 0.00 C ATOM 1302 CG TYR A 81 176.956 10.915 -8.039 1.00 0.00 C ATOM 1303 CD1 TYR A 81 176.779 10.784 -9.412 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.087 11.749 -7.344 1.00 0.00 C ATOM 1305 CE1 TYR A 81 175.770 11.462 -10.070 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.076 12.429 -7.995 1.00 0.00 C ATOM 1307 CZ TYR A 81 174.922 12.283 -9.357 1.00 0.00 C ATOM 1308 OH TYR A 81 173.915 12.958 -10.010 1.00 0.00 O ATOM 0 H TYR A 81 180.139 8.799 -7.339 1.00 0.00 H new ATOM 0 HA TYR A 81 179.454 11.311 -8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.068 9.134 -7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 81 177.852 10.163 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.441 10.142 -9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.205 11.867 -6.277 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.646 11.349 -11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.409 13.072 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 81 173.407 13.492 -9.364 1.00 0.00 H new ATOM 1318 N ASN A 82 180.292 11.262 -5.311 1.00 0.00 N ATOM 1319 CA ASN A 82 180.652 12.115 -4.176 1.00 0.00 C ATOM 1320 C ASN A 82 181.915 12.922 -4.483 1.00 0.00 C ATOM 1321 O ASN A 82 182.938 12.358 -4.872 1.00 0.00 O ATOM 1322 CB ASN A 82 180.869 11.271 -2.914 1.00 0.00 C ATOM 1323 CG ASN A 82 179.591 10.620 -2.408 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.524 10.772 -3.003 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.693 9.890 -1.301 1.00 0.00 N ATOM 0 H ASN A 82 180.461 10.267 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 82 179.828 12.807 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.606 10.496 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.285 11.902 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.868 9.431 -0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.596 9.789 -0.838 1.00 0.00 H new ATOM 1332 N PRO A 83 181.860 14.260 -4.310 1.00 0.00 N ATOM 1333 CA PRO A 83 183.008 15.143 -4.572 1.00 0.00 C ATOM 1334 C PRO A 83 184.168 14.894 -3.606 1.00 0.00 C ATOM 1335 O PRO A 83 183.981 14.308 -2.541 1.00 0.00 O ATOM 1336 CB PRO A 83 182.433 16.550 -4.373 1.00 0.00 C ATOM 1337 CG PRO A 83 181.249 16.359 -3.490 1.00 0.00 C ATOM 1338 CD PRO A 83 180.680 15.015 -3.847 1.00 0.00 C ATOM 0 HA PRO A 83 183.427 14.979 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 83 183.165 17.215 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.148 16.998 -5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.536 16.395 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.514 17.148 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.208 14.537 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.921 15.093 -4.626 1.00 0.00 H new ATOM 1346 N PRO A 84 185.389 15.337 -3.967 1.00 0.00 N ATOM 1347 CA PRO A 84 186.577 15.153 -3.124 1.00 0.00 C ATOM 1348 C PRO A 84 186.547 16.026 -1.870 1.00 0.00 C ATOM 1349 O PRO A 84 186.353 17.241 -1.955 1.00 0.00 O ATOM 1350 CB PRO A 84 187.731 15.565 -4.041 1.00 0.00 C ATOM 1351 CG PRO A 84 187.121 16.515 -5.013 1.00 0.00 C ATOM 1352 CD PRO A 84 185.706 16.047 -5.221 1.00 0.00 C ATOM 0 HA PRO A 84 186.656 14.132 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.535 16.037 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.161 14.702 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.142 17.534 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.673 16.519 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.028 16.883 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.624 15.389 -6.086 1.00 0.00 H new ATOM 1360 N ASP A 85 186.739 15.394 -0.708 1.00 0.00 N ATOM 1361 CA ASP A 85 186.737 16.098 0.575 1.00 0.00 C ATOM 1362 C ASP A 85 185.392 16.790 0.817 1.00 0.00 C ATOM 1363 O ASP A 85 185.302 18.020 0.816 1.00 0.00 O ATOM 1364 CB ASP A 85 187.883 17.116 0.632 1.00 0.00 C ATOM 1365 CG ASP A 85 188.418 17.309 2.039 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.981 16.343 2.598 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.275 18.424 2.581 1.00 0.00 O ATOM 0 H ASP A 85 186.899 14.389 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 85 186.887 15.362 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.692 16.785 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 85 187.534 18.073 0.245 1.00 0.00 H new ATOM 1372 N HIS A 86 184.348 15.986 1.015 1.00 0.00 N ATOM 1373 CA HIS A 86 183.006 16.510 1.248 1.00 0.00 C ATOM 1374 C HIS A 86 182.329 15.802 2.422 1.00 0.00 C ATOM 1375 O HIS A 86 182.779 14.743 2.864 1.00 0.00 O ATOM 1376 CB HIS A 86 182.158 16.348 -0.013 1.00 0.00 C ATOM 1377 CG HIS A 86 181.120 17.415 -0.180 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.792 17.139 -0.426 1.00 0.00 N ATOM 1379 CD2 HIS A 86 181.220 18.765 -0.136 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.120 18.272 -0.527 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.963 19.273 -0.354 1.00 0.00 N ATOM 0 H HIS A 86 184.408 14.968 1.018 1.00 0.00 H new ATOM 0 HA HIS A 86 183.095 17.568 1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.813 16.351 -0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.666 15.376 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 86 182.120 19.335 0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 86 178.061 18.364 -0.719 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.720 20.263 -0.378 1.00 0.00 H new ATOM 1390 N GLU A 87 181.241 16.396 2.918 1.00 0.00 N ATOM 1391 CA GLU A 87 180.493 15.827 4.039 1.00 0.00 C ATOM 1392 C GLU A 87 179.905 14.462 3.679 1.00 0.00 C ATOM 1393 O GLU A 87 179.977 13.521 4.471 1.00 0.00 O ATOM 1394 CB GLU A 87 179.371 16.772 4.474 1.00 0.00 C ATOM 1395 CG GLU A 87 179.865 18.036 5.163 1.00 0.00 C ATOM 1396 CD GLU A 87 179.022 18.415 6.367 1.00 0.00 C ATOM 1397 OE1 GLU A 87 177.780 18.462 6.233 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.603 18.666 7.443 1.00 0.00 O ATOM 0 H GLU A 87 180.859 17.271 2.560 1.00 0.00 H new ATOM 0 HA GLU A 87 181.192 15.696 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.785 17.052 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.701 16.239 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 87 180.898 17.892 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.862 18.859 4.449 1.00 0.00 H new ATOM 1405 N VAL A 88 179.325 14.360 2.481 1.00 0.00 N ATOM 1406 CA VAL A 88 178.727 13.103 2.024 1.00 0.00 C ATOM 1407 C VAL A 88 179.774 11.995 1.912 1.00 0.00 C ATOM 1408 O VAL A 88 179.469 10.820 2.116 1.00 0.00 O ATOM 1409 CB VAL A 88 178.015 13.261 0.661 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.850 14.235 0.772 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.994 13.702 -0.421 1.00 0.00 C ATOM 0 H VAL A 88 179.257 15.128 1.813 1.00 0.00 H new ATOM 0 HA VAL A 88 177.987 12.828 2.776 1.00 0.00 H new ATOM 0 HB VAL A 88 177.618 12.288 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.363 14.332 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.132 13.862 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 88 177.220 15.210 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.466 13.805 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.434 14.660 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.782 12.956 -0.524 1.00 0.00 H new ATOM 1421 N VAL A 89 181.011 12.378 1.591 1.00 0.00 N ATOM 1422 CA VAL A 89 182.103 11.419 1.458 1.00 0.00 C ATOM 1423 C VAL A 89 182.411 10.755 2.799 1.00 0.00 C ATOM 1424 O VAL A 89 182.625 9.543 2.866 1.00 0.00 O ATOM 1425 CB VAL A 89 183.382 12.090 0.917 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.466 11.057 0.664 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.081 12.875 -0.353 1.00 0.00 C ATOM 0 H VAL A 89 181.279 13.347 1.419 1.00 0.00 H new ATOM 0 HA VAL A 89 181.777 10.661 0.746 1.00 0.00 H new ATOM 0 HB VAL A 89 183.746 12.787 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.359 11.552 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.705 10.545 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.113 10.331 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.996 13.341 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.689 12.200 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.342 13.647 -0.137 1.00 0.00 H new ATOM 1437 N ALA A 90 182.421 11.556 3.865 1.00 0.00 N ATOM 1438 CA ALA A 90 182.691 11.046 5.207 1.00 0.00 C ATOM 1439 C ALA A 90 181.650 10.004 5.617 1.00 0.00 C ATOM 1440 O ALA A 90 181.971 9.035 6.306 1.00 0.00 O ATOM 1441 CB ALA A 90 182.721 12.187 6.214 1.00 0.00 C ATOM 0 H ALA A 90 182.245 12.560 3.824 1.00 0.00 H new ATOM 0 HA ALA A 90 183.669 10.564 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.923 11.789 7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.504 12.894 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.757 12.696 6.216 1.00 0.00 H new ATOM 1447 N MET A 91 180.404 10.209 5.183 1.00 0.00 N ATOM 1448 CA MET A 91 179.317 9.285 5.499 1.00 0.00 C ATOM 1449 C MET A 91 179.586 7.903 4.908 1.00 0.00 C ATOM 1450 O MET A 91 179.422 6.889 5.588 1.00 0.00 O ATOM 1451 CB MET A 91 177.981 9.824 4.976 1.00 0.00 C ATOM 1452 CG MET A 91 177.266 10.741 5.956 1.00 0.00 C ATOM 1453 SD MET A 91 176.455 12.131 5.143 1.00 0.00 S ATOM 1454 CE MET A 91 174.765 11.911 5.697 1.00 0.00 C ATOM 0 H MET A 91 180.125 11.007 4.612 1.00 0.00 H new ATOM 0 HA MET A 91 179.261 9.194 6.584 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.157 10.366 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.329 8.984 4.736 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.524 10.166 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 91 177.984 11.119 6.683 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.189 12.809 5.474 1.00 0.00 H new ATOM 0 HE2 MET A 91 174.322 11.058 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.755 11.731 6.772 1.00 0.00 H new ATOM 1464 N ALA A 92 180.003 7.870 3.641 1.00 0.00 N ATOM 1465 CA ALA A 92 180.299 6.610 2.961 1.00 0.00 C ATOM 1466 C ALA A 92 181.449 5.877 3.647 1.00 0.00 C ATOM 1467 O ALA A 92 181.365 4.674 3.899 1.00 0.00 O ATOM 1468 CB ALA A 92 180.626 6.859 1.495 1.00 0.00 C ATOM 0 H ALA A 92 180.143 8.701 3.066 1.00 0.00 H new ATOM 0 HA ALA A 92 179.412 5.979 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.844 5.910 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.774 7.332 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.495 7.513 1.422 1.00 0.00 H new ATOM 1474 N ARG A 93 182.519 6.612 3.955 1.00 0.00 N ATOM 1475 CA ARG A 93 183.682 6.030 4.621 1.00 0.00 C ATOM 1476 C ARG A 93 183.303 5.492 6.000 1.00 0.00 C ATOM 1477 O ARG A 93 183.686 4.380 6.365 1.00 0.00 O ATOM 1478 CB ARG A 93 184.806 7.065 4.745 1.00 0.00 C ATOM 1479 CG ARG A 93 185.843 6.968 3.637 1.00 0.00 C ATOM 1480 CD ARG A 93 186.182 8.337 3.062 1.00 0.00 C ATOM 1481 NE ARG A 93 187.118 9.075 3.908 1.00 0.00 N ATOM 1482 CZ ARG A 93 188.403 8.743 4.070 1.00 0.00 C ATOM 1483 NH1 ARG A 93 188.911 7.680 3.448 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.183 9.475 4.856 1.00 0.00 N ATOM 0 H ARG A 93 182.603 7.608 3.754 1.00 0.00 H new ATOM 0 HA ARG A 93 184.040 5.199 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.371 8.065 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.301 6.939 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.748 6.502 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.468 6.322 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.612 8.215 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.266 8.917 2.945 1.00 0.00 H new ATOM 0 HE ARG A 93 186.769 9.894 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 93 188.319 7.112 2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 93 189.892 7.434 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.802 10.290 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 93 190.163 9.222 4.980 1.00 0.00 H new ATOM 1498 N LYS A 94 182.536 6.282 6.756 1.00 0.00 N ATOM 1499 CA LYS A 94 182.094 5.876 8.090 1.00 0.00 C ATOM 1500 C LYS A 94 181.181 4.650 8.010 1.00 0.00 C ATOM 1501 O LYS A 94 181.242 3.768 8.867 1.00 0.00 O ATOM 1502 CB LYS A 94 181.361 7.027 8.788 1.00 0.00 C ATOM 1503 CG LYS A 94 181.487 7.003 10.305 1.00 0.00 C ATOM 1504 CD LYS A 94 180.194 7.437 10.982 1.00 0.00 C ATOM 1505 CE LYS A 94 180.167 7.036 12.452 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.520 8.171 13.352 1.00 0.00 N ATOM 0 H LYS A 94 182.210 7.204 6.467 1.00 0.00 H new ATOM 0 HA LYS A 94 182.978 5.616 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.751 7.974 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.305 6.990 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 94 181.750 5.997 10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.299 7.662 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.084 8.518 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.345 6.989 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.174 6.667 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.864 6.214 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.737 7.807 14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.351 8.669 12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 179.718 8.831 13.410 1.00 0.00 H new ATOM 1520 N LEU A 95 180.339 4.603 6.973 1.00 0.00 N ATOM 1521 CA LEU A 95 179.417 3.483 6.777 1.00 0.00 C ATOM 1522 C LEU A 95 180.176 2.205 6.423 1.00 0.00 C ATOM 1523 O LEU A 95 179.815 1.117 6.872 1.00 0.00 O ATOM 1524 CB LEU A 95 178.401 3.807 5.674 1.00 0.00 C ATOM 1525 CG LEU A 95 176.944 3.900 6.138 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.217 5.019 5.406 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.230 2.570 5.932 1.00 0.00 C ATOM 0 H LEU A 95 180.278 5.327 6.258 1.00 0.00 H new ATOM 0 HA LEU A 95 178.884 3.322 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.680 4.754 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.471 3.042 4.901 1.00 0.00 H new ATOM 0 HG LEU A 95 176.938 4.130 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.184 5.068 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.712 5.968 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.233 4.823 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.196 2.656 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.247 2.308 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.735 1.793 6.507 1.00 0.00 H new ATOM 1539 N GLN A 96 181.228 2.343 5.615 1.00 0.00 N ATOM 1540 CA GLN A 96 182.035 1.197 5.206 1.00 0.00 C ATOM 1541 C GLN A 96 182.832 0.638 6.383 1.00 0.00 C ATOM 1542 O GLN A 96 182.922 -0.578 6.555 1.00 0.00 O ATOM 1543 CB GLN A 96 182.988 1.583 4.071 1.00 0.00 C ATOM 1544 CG GLN A 96 183.343 0.422 3.154 1.00 0.00 C ATOM 1545 CD GLN A 96 184.820 0.374 2.809 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.277 1.059 1.895 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.575 -0.440 3.540 1.00 0.00 N ATOM 0 H GLN A 96 181.539 3.236 5.232 1.00 0.00 H new ATOM 0 HA GLN A 96 181.354 0.424 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.532 2.377 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.904 1.990 4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.056 -0.514 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.762 0.501 2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.155 -0.990 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.575 -0.514 3.352 1.00 0.00 H new ATOM 1556 N ASP A 97 183.410 1.530 7.190 1.00 0.00 N ATOM 1557 CA ASP A 97 184.203 1.119 8.349 1.00 0.00 C ATOM 1558 C ASP A 97 183.354 0.336 9.350 1.00 0.00 C ATOM 1559 O ASP A 97 183.770 -0.718 9.831 1.00 0.00 O ATOM 1560 CB ASP A 97 184.823 2.341 9.036 1.00 0.00 C ATOM 1561 CG ASP A 97 185.890 1.959 10.046 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.533 1.660 11.205 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.083 1.958 9.676 1.00 0.00 O ATOM 0 H ASP A 97 183.344 2.540 7.062 1.00 0.00 H new ATOM 0 HA ASP A 97 185.001 0.468 7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.259 2.996 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.039 2.909 9.537 1.00 0.00 H new ATOM 1568 N VAL A 98 182.165 0.856 9.659 1.00 0.00 N ATOM 1569 CA VAL A 98 181.264 0.200 10.604 1.00 0.00 C ATOM 1570 C VAL A 98 180.745 -1.128 10.045 1.00 0.00 C ATOM 1571 O VAL A 98 180.690 -2.130 10.761 1.00 0.00 O ATOM 1572 CB VAL A 98 180.072 1.110 10.994 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.229 1.469 9.778 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.217 0.447 12.066 1.00 0.00 C ATOM 0 H VAL A 98 181.805 1.727 9.269 1.00 0.00 H new ATOM 0 HA VAL A 98 181.846 -0.000 11.504 1.00 0.00 H new ATOM 0 HB VAL A 98 180.479 2.035 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.401 2.108 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.845 1.998 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.836 0.558 9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.386 1.103 12.325 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.829 -0.499 11.688 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.824 0.262 12.953 1.00 0.00 H new ATOM 1584 N PHE A 99 180.372 -1.132 8.762 1.00 0.00 N ATOM 1585 CA PHE A 99 179.864 -2.341 8.115 1.00 0.00 C ATOM 1586 C PHE A 99 180.946 -3.418 8.044 1.00 0.00 C ATOM 1587 O PHE A 99 180.722 -4.555 8.457 1.00 0.00 O ATOM 1588 CB PHE A 99 179.350 -2.022 6.706 1.00 0.00 C ATOM 1589 CG PHE A 99 178.184 -2.874 6.282 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.017 -2.898 7.029 1.00 0.00 C ATOM 1591 CD2 PHE A 99 178.258 -3.651 5.136 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.945 -3.679 6.641 1.00 0.00 C ATOM 1593 CE2 PHE A 99 177.189 -4.434 4.744 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.031 -4.448 5.498 1.00 0.00 C ATOM 0 H PHE A 99 180.413 -0.314 8.154 1.00 0.00 H new ATOM 0 HA PHE A 99 179.037 -2.720 8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.057 -0.973 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.164 -2.154 5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 99 176.944 -2.299 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 99 179.161 -3.644 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.041 -3.688 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 99 177.258 -5.035 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.195 -5.060 5.193 1.00 0.00 H new ATOM 1604 N GLU A 100 182.122 -3.052 7.525 1.00 0.00 N ATOM 1605 CA GLU A 100 183.238 -3.991 7.408 1.00 0.00 C ATOM 1606 C GLU A 100 183.641 -4.532 8.778 1.00 0.00 C ATOM 1607 O GLU A 100 183.881 -5.730 8.933 1.00 0.00 O ATOM 1608 CB GLU A 100 184.442 -3.321 6.738 1.00 0.00 C ATOM 1609 CG GLU A 100 185.192 -4.233 5.780 1.00 0.00 C ATOM 1610 CD GLU A 100 186.026 -5.278 6.497 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.002 -4.895 7.176 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.701 -6.478 6.380 1.00 0.00 O ATOM 0 H GLU A 100 182.324 -2.114 7.180 1.00 0.00 H new ATOM 0 HA GLU A 100 182.908 -4.824 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.101 -2.440 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.130 -2.974 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.477 -4.731 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.841 -3.630 5.144 1.00 0.00 H new ATOM 1619 N MET A 101 183.711 -3.643 9.769 1.00 0.00 N ATOM 1620 CA MET A 101 184.082 -4.032 11.127 1.00 0.00 C ATOM 1621 C MET A 101 183.096 -5.055 11.692 1.00 0.00 C ATOM 1622 O MET A 101 183.502 -6.072 12.254 1.00 0.00 O ATOM 1623 CB MET A 101 184.142 -2.802 12.040 1.00 0.00 C ATOM 1624 CG MET A 101 185.514 -2.147 12.097 1.00 0.00 C ATOM 1625 SD MET A 101 185.826 -1.328 13.673 1.00 0.00 S ATOM 1626 CE MET A 101 187.519 -0.789 13.447 1.00 0.00 C ATOM 0 H MET A 101 183.515 -2.648 9.655 1.00 0.00 H new ATOM 0 HA MET A 101 185.070 -4.491 11.086 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.413 -2.069 11.694 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.847 -3.094 13.048 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.281 -2.903 11.926 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.599 -1.419 11.290 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.856 -0.264 14.341 1.00 0.00 H new ATOM 0 HE2 MET A 101 188.157 -1.656 13.273 1.00 0.00 H new ATOM 0 HE3 MET A 101 187.576 -0.119 12.589 1.00 0.00 H new ATOM 1636 N ARG A 102 181.800 -4.780 11.538 1.00 0.00 N ATOM 1637 CA ARG A 102 180.759 -5.680 12.032 1.00 0.00 C ATOM 1638 C ARG A 102 180.745 -6.991 11.247 1.00 0.00 C ATOM 1639 O ARG A 102 180.643 -8.070 11.834 1.00 0.00 O ATOM 1640 CB ARG A 102 179.384 -5.006 11.952 1.00 0.00 C ATOM 1641 CG ARG A 102 178.716 -4.816 13.306 1.00 0.00 C ATOM 1642 CD ARG A 102 179.208 -3.555 14.002 1.00 0.00 C ATOM 1643 NE ARG A 102 178.975 -3.601 15.445 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.748 -4.272 16.304 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.806 -4.955 15.871 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.463 -4.259 17.602 1.00 0.00 N ATOM 0 H ARG A 102 181.447 -3.942 11.076 1.00 0.00 H new ATOM 0 HA ARG A 102 180.983 -5.907 13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.493 -4.034 11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.732 -5.605 11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.635 -4.762 13.175 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.917 -5.682 13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 102 180.273 -3.427 13.810 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.702 -2.687 13.580 1.00 0.00 H new ATOM 0 HE ARG A 102 178.175 -3.090 15.818 1.00 0.00 H new ATOM 0 HH11 ARG A 102 181.032 -4.969 14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 102 181.390 -5.464 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 102 178.655 -3.737 17.942 1.00 0.00 H new ATOM 0 HH22 ARG A 102 180.052 -4.771 18.259 1.00 0.00 H new ATOM 1660 N PHE A 103 180.850 -6.892 9.920 1.00 0.00 N ATOM 1661 CA PHE A 103 180.851 -8.073 9.055 1.00 0.00 C ATOM 1662 C PHE A 103 182.058 -8.965 9.347 1.00 0.00 C ATOM 1663 O PHE A 103 181.928 -10.186 9.442 1.00 0.00 O ATOM 1664 CB PHE A 103 180.854 -7.659 7.580 1.00 0.00 C ATOM 1665 CG PHE A 103 179.690 -8.203 6.799 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.477 -7.531 6.777 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.807 -9.387 6.087 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.405 -8.030 6.061 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.739 -9.890 5.370 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.536 -9.211 5.357 1.00 0.00 C ATOM 0 H PHE A 103 180.935 -6.006 9.421 1.00 0.00 H new ATOM 0 HA PHE A 103 179.943 -8.640 9.263 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.846 -6.571 7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.781 -7.998 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.369 -6.607 7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 103 180.745 -9.923 6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.466 -7.497 6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 103 178.844 -10.813 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.700 -9.603 4.797 1.00 0.00 H new ATOM 1680 N ALA A 104 183.231 -8.346 9.492 1.00 0.00 N ATOM 1681 CA ALA A 104 184.460 -9.080 9.778 1.00 0.00 C ATOM 1682 C ALA A 104 184.411 -9.714 11.167 1.00 0.00 C ATOM 1683 O ALA A 104 184.978 -10.782 11.384 1.00 0.00 O ATOM 1684 CB ALA A 104 185.671 -8.164 9.658 1.00 0.00 C ATOM 0 H ALA A 104 183.353 -7.336 9.415 1.00 0.00 H new ATOM 0 HA ALA A 104 184.551 -9.879 9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.578 -8.729 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.726 -7.764 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.577 -7.342 10.368 1.00 0.00 H new ATOM 1690 N LYS A 105 183.730 -9.052 12.105 1.00 0.00 N ATOM 1691 CA LYS A 105 183.611 -9.561 13.471 1.00 0.00 C ATOM 1692 C LYS A 105 182.701 -10.791 13.523 1.00 0.00 C ATOM 1693 O LYS A 105 183.022 -11.778 14.184 1.00 0.00 O ATOM 1694 CB LYS A 105 183.072 -8.474 14.406 1.00 0.00 C ATOM 1695 CG LYS A 105 183.675 -8.517 15.803 1.00 0.00 C ATOM 1696 CD LYS A 105 183.926 -7.118 16.347 1.00 0.00 C ATOM 1697 CE LYS A 105 183.615 -7.034 17.834 1.00 0.00 C ATOM 1698 NZ LYS A 105 184.393 -5.955 18.508 1.00 0.00 N ATOM 0 H LYS A 105 183.254 -8.165 11.943 1.00 0.00 H new ATOM 0 HA LYS A 105 184.607 -9.854 13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.268 -7.497 13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.990 -8.577 14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 105 183.004 -9.054 16.473 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.613 -9.072 15.779 1.00 0.00 H new ATOM 0 HD2 LYS A 105 184.966 -6.841 16.176 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.311 -6.400 15.804 1.00 0.00 H new ATOM 0 HE2 LYS A 105 182.549 -6.852 17.972 1.00 0.00 H new ATOM 0 HE3 LYS A 105 183.839 -7.991 18.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 184.151 -5.932 19.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 185.410 -6.141 18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 184.161 -5.038 18.076 1.00 0.00 H new ATOM 1712 N MET A 106 181.565 -10.726 12.824 1.00 0.00 N ATOM 1713 CA MET A 106 180.616 -11.841 12.796 1.00 0.00 C ATOM 1714 C MET A 106 181.185 -13.035 12.025 1.00 0.00 C ATOM 1715 O MET A 106 180.917 -14.187 12.369 1.00 0.00 O ATOM 1716 CB MET A 106 179.276 -11.409 12.185 1.00 0.00 C ATOM 1717 CG MET A 106 179.381 -10.887 10.759 1.00 0.00 C ATOM 1718 SD MET A 106 177.806 -10.942 9.882 1.00 0.00 S ATOM 1719 CE MET A 106 177.837 -12.611 9.234 1.00 0.00 C ATOM 0 H MET A 106 181.281 -9.917 12.272 1.00 0.00 H new ATOM 0 HA MET A 106 180.445 -12.148 13.828 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.592 -12.258 12.200 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.836 -10.634 12.813 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.746 -9.860 10.778 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.117 -11.477 10.213 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.980 -12.763 8.578 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.757 -12.765 8.670 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.794 -13.322 10.059 1.00 0.00 H new ATOM 1729 N LEU A 107 181.971 -12.756 10.982 1.00 0.00 N ATOM 1730 CA LEU A 107 182.573 -13.813 10.172 1.00 0.00 C ATOM 1731 C LEU A 107 183.868 -14.318 10.806 1.00 0.00 C ATOM 1732 O LEU A 107 184.119 -15.523 10.842 1.00 0.00 O ATOM 1733 CB LEU A 107 182.850 -13.310 8.751 1.00 0.00 C ATOM 1734 CG LEU A 107 181.779 -13.663 7.715 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.819 -12.680 6.553 1.00 0.00 C ATOM 1736 CD2 LEU A 107 181.964 -15.090 7.217 1.00 0.00 C ATOM 0 H LEU A 107 182.204 -11.810 10.681 1.00 0.00 H new ATOM 0 HA LEU A 107 181.865 -14.641 10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.960 -12.226 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.804 -13.718 8.418 1.00 0.00 H new ATOM 0 HG LEU A 107 180.802 -13.593 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.052 -12.945 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.635 -11.671 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.799 -12.719 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.193 -15.322 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.947 -15.190 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 107 181.884 -15.781 8.056 1.00 0.00 H new ATOM 1748 N GLN A 108 184.685 -13.392 11.307 1.00 0.00 N ATOM 1749 CA GLN A 108 185.953 -13.745 11.941 1.00 0.00 C ATOM 1750 C GLN A 108 185.880 -13.538 13.453 1.00 0.00 C ATOM 1751 O GLN A 108 185.866 -12.368 13.895 1.00 0.00 O ATOM 1752 CB GLN A 108 187.095 -12.913 11.351 1.00 0.00 C ATOM 1753 CG GLN A 108 188.111 -13.735 10.573 1.00 0.00 C ATOM 1754 CD GLN A 108 189.534 -13.244 10.768 1.00 0.00 C ATOM 1755 OE1 GLN A 108 190.428 -14.020 11.104 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.752 -11.951 10.555 1.00 0.00 N ATOM 0 H GLN A 108 184.490 -12.391 11.286 1.00 0.00 H new ATOM 0 HA GLN A 108 186.148 -14.800 11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.676 -12.152 10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.606 -12.389 12.159 1.00 0.00 H new ATOM 0 HG2 GLN A 108 188.045 -14.777 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.862 -13.703 9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 108 188.982 -11.343 10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.690 -11.566 10.669 1.00 0.00 H new TER 1765 GLN A 108