USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 944 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 118 MET CE :methyl -160:sc= -0.0372 (180deg=-0.00412) USER MOD Set 1.2: A 122 MET CE :methyl -111:sc=-0.00997 (180deg=-1.97) USER MOD Set 2.1: A 114 THR OG1 : rot -81:sc= 1.23 USER MOD Set 2.2: A 117 GLN : amide:sc= 3.12 K(o=4.4,f=2) USER MOD Set 3.1: A 76 THR OG1 : rot 139:sc= 1.4 USER MOD Set 3.2: A 79 TYR OH : rot 83:sc=-0.000916 USER MOD Set 4.1: A 74 THR OG1 : rot -56:sc= -2.99! USER MOD Set 4.2: A 81 GLN : amide:sc= 1.12 K(o=-1.9,f=-4.1) USER MOD Set 5.1: A 38 LYS NZ :NH3+ 165:sc= 1.27 (180deg=0.782) USER MOD Set 5.2: A 40 GLN : amide:sc= -0.177 X(o=1.1,f=1.1) USER MOD Set 6.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 8 LYS NZ :NH3+ -162:sc= 2.08 (180deg=1.37) USER MOD Set 7.2: A 23 TYR OH : rot 23:sc= -1.79! USER MOD Set 7.3: A 115 MET CE :methyl -139:sc= -0.11 (180deg=-0.515) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.18 USER MOD Single : A 13 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.227 X(o=0.23,f=-0.032) USER MOD Single : A 35 SER OG : rot 180:sc= -1.04 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= 0.00639 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.768) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -78:sc= 0.828 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc=-0.00403 (180deg=-0.154) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 78 THR OG1 : rot -79:sc= 0.954 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.167 F(o=-2.6!,f=-0.17) USER MOD Single : A 88 MET CE :methyl 147:sc= -0.0763 (180deg=-0.344) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0467 (180deg=-0.385) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0403) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 5 13.569 -1.266 13.633 1.00 0.00 N ATOM 62 CA GLU A 5 12.720 -1.267 12.445 1.00 0.00 C ATOM 63 C GLU A 5 12.738 0.085 11.725 1.00 0.00 C ATOM 64 O GLU A 5 12.483 1.135 12.324 1.00 0.00 O ATOM 65 CB GLU A 5 11.286 -1.661 12.814 1.00 0.00 C ATOM 66 CG GLU A 5 11.128 -3.114 13.256 1.00 0.00 C ATOM 67 CD GLU A 5 11.465 -3.352 14.719 1.00 0.00 C ATOM 68 OE1 GLU A 5 12.639 -3.192 15.103 1.00 0.00 O ATOM 69 OE2 GLU A 5 10.556 -3.735 15.485 1.00 0.00 O ATOM 0 HA GLU A 5 13.125 -2.007 11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.937 -1.010 13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.640 -1.483 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.101 -3.429 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.769 -3.743 12.638 1.00 0.00 H new ATOM 76 N GLU A 6 13.033 0.027 10.435 1.00 0.00 N ATOM 77 CA GLU A 6 13.267 1.206 9.611 1.00 0.00 C ATOM 78 C GLU A 6 12.022 1.527 8.783 1.00 0.00 C ATOM 79 O GLU A 6 11.470 0.652 8.122 1.00 0.00 O ATOM 80 CB GLU A 6 14.456 0.934 8.683 1.00 0.00 C ATOM 81 CG GLU A 6 15.672 0.362 9.406 1.00 0.00 C ATOM 82 CD GLU A 6 16.715 -0.207 8.460 1.00 0.00 C ATOM 83 OE1 GLU A 6 17.568 0.567 7.975 1.00 0.00 O ATOM 84 OE2 GLU A 6 16.691 -1.436 8.207 1.00 0.00 O ATOM 0 H GLU A 6 13.118 -0.851 9.923 1.00 0.00 H new ATOM 0 HA GLU A 6 13.486 2.061 10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.146 0.239 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.741 1.862 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.128 1.145 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.345 -0.421 10.090 1.00 0.00 H new ATOM 91 N SER A 7 11.579 2.774 8.820 1.00 0.00 N ATOM 92 CA SER A 7 10.354 3.163 8.131 1.00 0.00 C ATOM 93 C SER A 7 10.650 3.947 6.850 1.00 0.00 C ATOM 94 O SER A 7 11.444 4.889 6.856 1.00 0.00 O ATOM 95 CB SER A 7 9.489 3.997 9.072 1.00 0.00 C ATOM 96 OG SER A 7 9.309 3.325 10.309 1.00 0.00 O ATOM 0 H SER A 7 12.046 3.533 9.317 1.00 0.00 H new ATOM 0 HA SER A 7 9.820 2.257 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.958 4.966 9.243 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.520 4.188 8.611 1.00 0.00 H new ATOM 0 HG SER A 7 8.754 3.874 10.902 1.00 0.00 H new ATOM 102 N LYS A 8 10.008 3.547 5.758 1.00 0.00 N ATOM 103 CA LYS A 8 10.145 4.235 4.480 1.00 0.00 C ATOM 104 C LYS A 8 8.780 4.323 3.797 1.00 0.00 C ATOM 105 O LYS A 8 8.090 3.317 3.647 1.00 0.00 O ATOM 106 CB LYS A 8 11.124 3.479 3.577 1.00 0.00 C ATOM 107 CG LYS A 8 11.564 4.267 2.353 1.00 0.00 C ATOM 108 CD LYS A 8 12.295 3.381 1.358 1.00 0.00 C ATOM 109 CE LYS A 8 12.812 4.180 0.175 1.00 0.00 C ATOM 110 NZ LYS A 8 13.067 3.321 -1.014 1.00 0.00 N ATOM 0 H LYS A 8 9.382 2.742 5.733 1.00 0.00 H new ATOM 0 HA LYS A 8 10.529 5.240 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.005 3.208 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.659 2.549 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.693 4.714 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.214 5.086 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.128 2.885 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.623 2.599 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.087 4.952 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.733 4.690 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.689 3.824 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.525 2.438 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.165 3.101 -1.483 1.00 0.00 H new ATOM 124 N LYS A 9 8.385 5.522 3.398 1.00 0.00 N ATOM 125 CA LYS A 9 7.105 5.712 2.728 1.00 0.00 C ATOM 126 C LYS A 9 7.307 6.235 1.316 1.00 0.00 C ATOM 127 O LYS A 9 8.209 7.022 1.066 1.00 0.00 O ATOM 128 CB LYS A 9 6.216 6.682 3.518 1.00 0.00 C ATOM 129 CG LYS A 9 4.955 7.100 2.768 1.00 0.00 C ATOM 130 CD LYS A 9 4.019 7.939 3.625 1.00 0.00 C ATOM 131 CE LYS A 9 4.699 9.188 4.166 1.00 0.00 C ATOM 132 NZ LYS A 9 3.748 10.039 4.928 1.00 0.00 N ATOM 0 H LYS A 9 8.929 6.376 3.525 1.00 0.00 H new ATOM 0 HA LYS A 9 6.610 4.742 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.931 6.215 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.794 7.572 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.235 7.667 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.428 6.210 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.150 8.228 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.654 7.337 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.529 8.901 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.120 9.761 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.244 10.882 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.969 10.332 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.365 9.499 5.730 1.00 0.00 H new ATOM 146 N PHE A 10 6.479 5.776 0.394 1.00 0.00 N ATOM 147 CA PHE A 10 6.435 6.346 -0.940 1.00 0.00 C ATOM 148 C PHE A 10 4.988 6.651 -1.289 1.00 0.00 C ATOM 149 O PHE A 10 4.083 5.961 -0.824 1.00 0.00 O ATOM 150 CB PHE A 10 7.049 5.394 -1.976 1.00 0.00 C ATOM 151 CG PHE A 10 6.137 4.284 -2.421 1.00 0.00 C ATOM 152 CD1 PHE A 10 6.017 3.125 -1.677 1.00 0.00 C ATOM 153 CD2 PHE A 10 5.405 4.401 -3.594 1.00 0.00 C ATOM 154 CE1 PHE A 10 5.184 2.103 -2.090 1.00 0.00 C ATOM 155 CE2 PHE A 10 4.570 3.384 -4.011 1.00 0.00 C ATOM 156 CZ PHE A 10 4.459 2.234 -3.260 1.00 0.00 C ATOM 0 H PHE A 10 5.826 5.007 0.546 1.00 0.00 H new ATOM 0 HA PHE A 10 7.024 7.263 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.349 5.973 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.955 4.957 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.581 3.017 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.490 5.299 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.099 1.203 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.004 3.490 -4.925 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.807 1.437 -3.585 1.00 0.00 H new ATOM 166 N SER A 11 4.766 7.679 -2.084 1.00 0.00 N ATOM 167 CA SER A 11 3.415 8.046 -2.470 1.00 0.00 C ATOM 168 C SER A 11 3.364 8.405 -3.946 1.00 0.00 C ATOM 169 O SER A 11 3.989 9.370 -4.391 1.00 0.00 O ATOM 170 CB SER A 11 2.901 9.205 -1.607 1.00 0.00 C ATOM 171 OG SER A 11 1.591 9.591 -1.987 1.00 0.00 O ATOM 0 H SER A 11 5.498 8.273 -2.474 1.00 0.00 H new ATOM 0 HA SER A 11 2.763 7.188 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.905 8.909 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.575 10.057 -1.700 1.00 0.00 H new ATOM 0 HG SER A 11 1.290 10.330 -1.418 1.00 0.00 H new ATOM 177 N ALA A 12 2.634 7.608 -4.706 1.00 0.00 N ATOM 178 CA ALA A 12 2.497 7.827 -6.132 1.00 0.00 C ATOM 179 C ALA A 12 1.032 7.978 -6.510 1.00 0.00 C ATOM 180 O ALA A 12 0.247 7.036 -6.386 1.00 0.00 O ATOM 181 CB ALA A 12 3.139 6.687 -6.913 1.00 0.00 C ATOM 0 H ALA A 12 2.124 6.798 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 12 3.014 8.751 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.026 6.869 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.199 6.628 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.652 5.747 -6.652 1.00 0.00 H new ATOM 187 N ASN A 13 0.663 9.174 -6.939 1.00 0.00 N ATOM 188 CA ASN A 13 -0.697 9.440 -7.387 1.00 0.00 C ATOM 189 C ASN A 13 -0.819 9.095 -8.864 1.00 0.00 C ATOM 190 O ASN A 13 -0.249 9.776 -9.721 1.00 0.00 O ATOM 191 CB ASN A 13 -1.059 10.912 -7.148 1.00 0.00 C ATOM 192 CG ASN A 13 -2.528 11.220 -7.397 1.00 0.00 C ATOM 193 OD1 ASN A 13 -3.188 10.597 -8.231 1.00 0.00 O ATOM 194 ND2 ASN A 13 -3.051 12.197 -6.673 1.00 0.00 N ATOM 0 H ASN A 13 1.287 9.979 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.391 8.822 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.808 11.178 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.449 11.539 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.030 12.455 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.475 12.691 -5.992 1.00 0.00 H new ATOM 201 N LEU A 14 -1.536 8.024 -9.153 1.00 0.00 N ATOM 202 CA LEU A 14 -1.711 7.574 -10.521 1.00 0.00 C ATOM 203 C LEU A 14 -3.193 7.433 -10.859 1.00 0.00 C ATOM 204 O LEU A 14 -3.932 6.739 -10.163 1.00 0.00 O ATOM 205 CB LEU A 14 -0.942 6.260 -10.750 1.00 0.00 C ATOM 206 CG LEU A 14 -1.082 5.192 -9.655 1.00 0.00 C ATOM 207 CD1 LEU A 14 -2.239 4.248 -9.950 1.00 0.00 C ATOM 208 CD2 LEU A 14 0.218 4.414 -9.507 1.00 0.00 C ATOM 0 H LEU A 14 -2.008 7.448 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.298 8.323 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.275 5.828 -11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.116 6.498 -10.864 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.297 5.699 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.312 3.504 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.168 4.816 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.066 3.748 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.104 3.661 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.459 3.926 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.022 5.098 -9.236 1.00 0.00 H new ATOM 220 N ASN A 15 -3.623 8.153 -11.902 1.00 0.00 N ATOM 221 CA ASN A 15 -5.012 8.130 -12.391 1.00 0.00 C ATOM 222 C ASN A 15 -5.974 8.833 -11.428 1.00 0.00 C ATOM 223 O ASN A 15 -6.876 9.558 -11.852 1.00 0.00 O ATOM 224 CB ASN A 15 -5.487 6.692 -12.647 1.00 0.00 C ATOM 225 CG ASN A 15 -6.901 6.628 -13.200 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.876 6.579 -12.451 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.020 6.619 -14.519 1.00 0.00 N ATOM 0 H ASN A 15 -3.015 8.773 -12.436 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.019 8.678 -13.333 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.806 6.209 -13.347 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.440 6.128 -11.716 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.944 6.570 -14.947 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.187 6.661 -15.106 1.00 0.00 H new ATOM 234 N GLY A 16 -5.765 8.630 -10.141 1.00 0.00 N ATOM 235 CA GLY A 16 -6.652 9.171 -9.136 1.00 0.00 C ATOM 236 C GLY A 16 -6.549 8.417 -7.829 1.00 0.00 C ATOM 237 O GLY A 16 -7.063 8.866 -6.802 1.00 0.00 O ATOM 0 H GLY A 16 -4.983 8.091 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.414 10.221 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.679 9.131 -9.499 1.00 0.00 H new ATOM 241 N THR A 17 -5.919 7.249 -7.875 1.00 0.00 N ATOM 242 CA THR A 17 -5.624 6.493 -6.676 1.00 0.00 C ATOM 243 C THR A 17 -4.290 6.939 -6.087 1.00 0.00 C ATOM 244 O THR A 17 -3.227 6.683 -6.655 1.00 0.00 O ATOM 245 CB THR A 17 -5.597 4.979 -6.969 1.00 0.00 C ATOM 246 OG1 THR A 17 -5.265 4.753 -8.347 1.00 0.00 O ATOM 247 CG2 THR A 17 -6.939 4.342 -6.654 1.00 0.00 C ATOM 0 H THR A 17 -5.603 6.807 -8.738 1.00 0.00 H new ATOM 0 HA THR A 17 -6.415 6.685 -5.951 1.00 0.00 H new ATOM 0 HB THR A 17 -4.839 4.521 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.248 3.790 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.894 3.274 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.174 4.490 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.714 4.803 -7.267 1.00 0.00 H new ATOM 255 N GLU A 18 -4.358 7.640 -4.967 1.00 0.00 N ATOM 256 CA GLU A 18 -3.165 8.146 -4.312 1.00 0.00 C ATOM 257 C GLU A 18 -2.624 7.093 -3.361 1.00 0.00 C ATOM 258 O GLU A 18 -3.096 6.960 -2.231 1.00 0.00 O ATOM 259 CB GLU A 18 -3.493 9.431 -3.552 1.00 0.00 C ATOM 260 CG GLU A 18 -4.532 10.283 -4.257 1.00 0.00 C ATOM 261 CD GLU A 18 -4.878 11.542 -3.500 1.00 0.00 C ATOM 262 OE1 GLU A 18 -3.967 12.342 -3.212 1.00 0.00 O ATOM 263 OE2 GLU A 18 -6.069 11.737 -3.188 1.00 0.00 O ATOM 0 H GLU A 18 -5.230 7.872 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.407 8.370 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.854 9.176 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.581 10.013 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.162 10.551 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.437 9.694 -4.404 1.00 0.00 H new ATOM 270 N ILE A 19 -1.664 6.322 -3.834 1.00 0.00 N ATOM 271 CA ILE A 19 -1.131 5.222 -3.056 1.00 0.00 C ATOM 272 C ILE A 19 0.138 5.633 -2.325 1.00 0.00 C ATOM 273 O ILE A 19 1.193 5.814 -2.937 1.00 0.00 O ATOM 274 CB ILE A 19 -0.849 3.991 -3.944 1.00 0.00 C ATOM 275 CG1 ILE A 19 -2.134 3.569 -4.661 1.00 0.00 C ATOM 276 CG2 ILE A 19 -0.300 2.840 -3.108 1.00 0.00 C ATOM 277 CD1 ILE A 19 -1.964 2.393 -5.595 1.00 0.00 C ATOM 0 H ILE A 19 -1.238 6.438 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.888 4.951 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.097 4.256 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.888 3.320 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.516 4.418 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.108 1.982 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.629 3.149 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.028 2.565 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.920 2.158 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.235 2.643 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.614 1.528 -5.031 1.00 0.00 H new ATOM 289 N ALA A 20 0.018 5.798 -1.018 1.00 0.00 N ATOM 290 CA ALA A 20 1.160 6.095 -0.176 1.00 0.00 C ATOM 291 C ALA A 20 1.386 4.945 0.790 1.00 0.00 C ATOM 292 O ALA A 20 0.645 4.770 1.760 1.00 0.00 O ATOM 293 CB ALA A 20 0.959 7.406 0.573 1.00 0.00 C ATOM 0 H ALA A 20 -0.867 5.730 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 20 2.044 6.211 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.830 7.606 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.832 8.218 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.071 7.334 1.201 1.00 0.00 H new ATOM 299 N ILE A 21 2.396 4.144 0.507 1.00 0.00 N ATOM 300 CA ILE A 21 2.687 2.980 1.318 1.00 0.00 C ATOM 301 C ILE A 21 3.834 3.268 2.273 1.00 0.00 C ATOM 302 O ILE A 21 4.970 3.492 1.849 1.00 0.00 O ATOM 303 CB ILE A 21 3.034 1.748 0.450 1.00 0.00 C ATOM 304 CG1 ILE A 21 1.855 1.393 -0.462 1.00 0.00 C ATOM 305 CG2 ILE A 21 3.409 0.561 1.329 1.00 0.00 C ATOM 306 CD1 ILE A 21 2.136 0.245 -1.410 1.00 0.00 C ATOM 0 H ILE A 21 3.029 4.280 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 21 1.787 2.752 1.889 1.00 0.00 H new ATOM 0 HB ILE A 21 3.893 1.994 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.994 1.138 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.581 2.273 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.650 -0.296 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.275 0.819 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.570 0.310 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.254 0.054 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.976 0.503 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.380 -0.649 -0.836 1.00 0.00 H new ATOM 318 N THR A 22 3.520 3.290 3.555 1.00 0.00 N ATOM 319 CA THR A 22 4.528 3.428 4.583 1.00 0.00 C ATOM 320 C THR A 22 4.972 2.040 5.029 1.00 0.00 C ATOM 321 O THR A 22 4.333 1.415 5.878 1.00 0.00 O ATOM 322 CB THR A 22 3.991 4.215 5.801 1.00 0.00 C ATOM 323 OG1 THR A 22 3.383 5.444 5.371 1.00 0.00 O ATOM 324 CG2 THR A 22 5.113 4.525 6.784 1.00 0.00 C ATOM 0 H THR A 22 2.566 3.213 3.908 1.00 0.00 H new ATOM 0 HA THR A 22 5.370 3.984 4.170 1.00 0.00 H new ATOM 0 HB THR A 22 3.246 3.595 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.045 5.932 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.711 5.079 7.632 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.556 3.593 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.876 5.125 6.288 1.00 0.00 H new ATOM 332 N TYR A 23 6.035 1.530 4.430 1.00 0.00 N ATOM 333 CA TYR A 23 6.482 0.189 4.750 1.00 0.00 C ATOM 334 C TYR A 23 7.696 0.223 5.662 1.00 0.00 C ATOM 335 O TYR A 23 8.618 1.020 5.481 1.00 0.00 O ATOM 336 CB TYR A 23 6.744 -0.651 3.487 1.00 0.00 C ATOM 337 CG TYR A 23 7.747 -0.080 2.504 1.00 0.00 C ATOM 338 CD1 TYR A 23 7.351 0.820 1.522 1.00 0.00 C ATOM 339 CD2 TYR A 23 9.082 -0.465 2.537 1.00 0.00 C ATOM 340 CE1 TYR A 23 8.255 1.321 0.605 1.00 0.00 C ATOM 341 CE2 TYR A 23 9.995 0.038 1.624 1.00 0.00 C ATOM 342 CZ TYR A 23 9.573 0.930 0.659 1.00 0.00 C ATOM 343 OH TYR A 23 10.475 1.429 -0.259 1.00 0.00 O ATOM 0 H TYR A 23 6.596 2.017 3.731 1.00 0.00 H new ATOM 0 HA TYR A 23 5.673 -0.303 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.090 -1.637 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.797 -0.794 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.319 1.133 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.413 -1.168 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.928 2.018 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.030 -0.266 1.667 1.00 0.00 H new ATOM 0 HH TYR A 23 10.143 2.280 -0.615 1.00 0.00 H new ATOM 353 N VAL A 24 7.659 -0.633 6.664 1.00 0.00 N ATOM 354 CA VAL A 24 8.725 -0.737 7.635 1.00 0.00 C ATOM 355 C VAL A 24 9.538 -1.991 7.375 1.00 0.00 C ATOM 356 O VAL A 24 9.017 -3.108 7.427 1.00 0.00 O ATOM 357 CB VAL A 24 8.171 -0.770 9.076 1.00 0.00 C ATOM 358 CG1 VAL A 24 9.286 -0.983 10.085 1.00 0.00 C ATOM 359 CG2 VAL A 24 7.417 0.512 9.386 1.00 0.00 C ATOM 0 H VAL A 24 6.885 -1.277 6.826 1.00 0.00 H new ATOM 0 HA VAL A 24 9.360 0.143 7.533 1.00 0.00 H new ATOM 0 HB VAL A 24 7.480 -1.610 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.867 -1.002 11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.785 -1.931 9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.007 -0.169 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.034 0.471 10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.090 1.363 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.586 0.622 8.690 1.00 0.00 H new ATOM 369 N TYR A 25 10.803 -1.801 7.076 1.00 0.00 N ATOM 370 CA TYR A 25 11.695 -2.909 6.814 1.00 0.00 C ATOM 371 C TYR A 25 12.724 -3.008 7.925 1.00 0.00 C ATOM 372 O TYR A 25 12.840 -2.110 8.749 1.00 0.00 O ATOM 373 CB TYR A 25 12.380 -2.741 5.451 1.00 0.00 C ATOM 374 CG TYR A 25 13.233 -1.494 5.326 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.655 -0.252 5.085 1.00 0.00 C ATOM 376 CD2 TYR A 25 14.615 -1.562 5.441 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.431 0.885 4.967 1.00 0.00 C ATOM 378 CE2 TYR A 25 15.397 -0.428 5.324 1.00 0.00 C ATOM 379 CZ TYR A 25 14.801 0.792 5.088 1.00 0.00 C ATOM 380 OH TYR A 25 15.577 1.924 4.966 1.00 0.00 O ATOM 0 H TYR A 25 11.241 -0.882 7.008 1.00 0.00 H new ATOM 0 HA TYR A 25 11.116 -3.832 6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.005 -3.614 5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.616 -2.723 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.582 -0.175 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 25 15.087 -2.516 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.966 1.842 4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 25 16.471 -0.498 5.417 1.00 0.00 H new ATOM 0 HH TYR A 25 16.521 1.687 5.078 1.00 0.00 H new ATOM 390 N LYS A 26 13.446 -4.106 7.958 1.00 0.00 N ATOM 391 CA LYS A 26 14.487 -4.292 8.946 1.00 0.00 C ATOM 392 C LYS A 26 15.639 -5.046 8.307 1.00 0.00 C ATOM 393 O LYS A 26 15.629 -6.278 8.238 1.00 0.00 O ATOM 394 CB LYS A 26 13.941 -5.056 10.151 1.00 0.00 C ATOM 395 CG LYS A 26 14.720 -4.834 11.434 1.00 0.00 C ATOM 396 CD LYS A 26 14.106 -5.613 12.583 1.00 0.00 C ATOM 397 CE LYS A 26 14.729 -5.240 13.915 1.00 0.00 C ATOM 398 NZ LYS A 26 14.218 -6.095 15.018 1.00 0.00 N ATOM 0 H LYS A 26 13.331 -4.886 7.311 1.00 0.00 H new ATOM 0 HA LYS A 26 14.842 -3.323 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.904 -4.762 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.938 -6.121 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.756 -5.142 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.734 -3.771 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.033 -5.423 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.235 -6.681 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.813 -5.338 13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.516 -4.194 14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.666 -5.811 15.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.187 -5.982 15.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.443 -7.091 14.818 1.00 0.00 H new ATOM 412 N GLY A 27 16.604 -4.304 7.799 1.00 0.00 N ATOM 413 CA GLY A 27 17.673 -4.922 7.058 1.00 0.00 C ATOM 414 C GLY A 27 17.281 -5.162 5.614 1.00 0.00 C ATOM 415 O GLY A 27 17.041 -4.212 4.868 1.00 0.00 O ATOM 0 H GLY A 27 16.666 -3.290 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.558 -4.286 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.941 -5.869 7.526 1.00 0.00 H new ATOM 419 N ASP A 28 17.210 -6.419 5.212 1.00 0.00 N ATOM 420 CA ASP A 28 16.885 -6.750 3.830 1.00 0.00 C ATOM 421 C ASP A 28 15.437 -7.221 3.687 1.00 0.00 C ATOM 422 O ASP A 28 14.954 -7.429 2.570 1.00 0.00 O ATOM 423 CB ASP A 28 17.834 -7.820 3.290 1.00 0.00 C ATOM 424 CG ASP A 28 17.609 -9.176 3.927 1.00 0.00 C ATOM 425 OD1 ASP A 28 18.004 -9.361 5.093 1.00 0.00 O ATOM 426 OD2 ASP A 28 17.036 -10.059 3.259 1.00 0.00 O ATOM 0 H ASP A 28 17.371 -7.225 5.816 1.00 0.00 H new ATOM 0 HA ASP A 28 17.005 -5.838 3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.704 -7.904 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.864 -7.508 3.464 1.00 0.00 H new ATOM 431 N LYS A 29 14.735 -7.387 4.801 1.00 0.00 N ATOM 432 CA LYS A 29 13.338 -7.802 4.741 1.00 0.00 C ATOM 433 C LYS A 29 12.420 -6.666 5.152 1.00 0.00 C ATOM 434 O LYS A 29 12.665 -5.989 6.149 1.00 0.00 O ATOM 435 CB LYS A 29 13.048 -9.010 5.642 1.00 0.00 C ATOM 436 CG LYS A 29 11.706 -9.657 5.313 1.00 0.00 C ATOM 437 CD LYS A 29 11.291 -10.717 6.320 1.00 0.00 C ATOM 438 CE LYS A 29 9.903 -11.258 5.990 1.00 0.00 C ATOM 439 NZ LYS A 29 9.349 -12.111 7.075 1.00 0.00 N ATOM 0 H LYS A 29 15.101 -7.244 5.742 1.00 0.00 H new ATOM 0 HA LYS A 29 13.149 -8.085 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.843 -9.747 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.053 -8.694 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.938 -8.885 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.760 -10.108 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.015 -11.532 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.292 -10.293 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.226 -10.424 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.952 -11.836 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.428 -12.494 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.004 -12.895 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.227 -11.541 7.936 1.00 0.00 H new ATOM 453 N VAL A 30 11.367 -6.457 4.377 1.00 0.00 N ATOM 454 CA VAL A 30 10.290 -5.575 4.790 1.00 0.00 C ATOM 455 C VAL A 30 9.391 -6.354 5.740 1.00 0.00 C ATOM 456 O VAL A 30 8.917 -7.432 5.392 1.00 0.00 O ATOM 457 CB VAL A 30 9.466 -5.066 3.588 1.00 0.00 C ATOM 458 CG1 VAL A 30 8.454 -4.023 4.034 1.00 0.00 C ATOM 459 CG2 VAL A 30 10.377 -4.498 2.511 1.00 0.00 C ATOM 0 H VAL A 30 11.237 -6.886 3.461 1.00 0.00 H new ATOM 0 HA VAL A 30 10.715 -4.698 5.278 1.00 0.00 H new ATOM 0 HB VAL A 30 8.924 -5.912 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.884 -3.677 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.776 -4.463 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.976 -3.179 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.775 -4.145 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.951 -3.667 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.060 -5.274 2.165 1.00 0.00 H new ATOM 469 N LEU A 31 9.184 -5.835 6.941 1.00 0.00 N ATOM 470 CA LEU A 31 8.495 -6.594 7.978 1.00 0.00 C ATOM 471 C LEU A 31 7.083 -6.084 8.230 1.00 0.00 C ATOM 472 O LEU A 31 6.274 -6.765 8.860 1.00 0.00 O ATOM 473 CB LEU A 31 9.314 -6.584 9.267 1.00 0.00 C ATOM 474 CG LEU A 31 10.592 -7.416 9.192 1.00 0.00 C ATOM 475 CD1 LEU A 31 11.407 -7.294 10.463 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.249 -8.869 8.931 1.00 0.00 C ATOM 0 H LEU A 31 9.480 -4.900 7.222 1.00 0.00 H new ATOM 0 HA LEU A 31 8.398 -7.620 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.576 -5.555 9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.695 -6.958 10.082 1.00 0.00 H new ATOM 0 HG LEU A 31 11.196 -7.033 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.310 -7.899 10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.683 -6.251 10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.816 -7.644 11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.166 -9.456 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.623 -9.246 9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.711 -8.952 7.987 1.00 0.00 H new ATOM 488 N LYS A 32 6.774 -4.904 7.727 1.00 0.00 N ATOM 489 CA LYS A 32 5.423 -4.384 7.830 1.00 0.00 C ATOM 490 C LYS A 32 5.131 -3.473 6.650 1.00 0.00 C ATOM 491 O LYS A 32 5.990 -2.706 6.230 1.00 0.00 O ATOM 492 CB LYS A 32 5.232 -3.630 9.148 1.00 0.00 C ATOM 493 CG LYS A 32 3.825 -3.758 9.709 1.00 0.00 C ATOM 494 CD LYS A 32 3.586 -2.796 10.866 1.00 0.00 C ATOM 495 CE LYS A 32 3.737 -1.345 10.431 1.00 0.00 C ATOM 496 NZ LYS A 32 3.415 -0.399 11.529 1.00 0.00 N ATOM 0 H LYS A 32 7.433 -4.292 7.247 1.00 0.00 H new ATOM 0 HA LYS A 32 4.724 -5.220 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.945 -4.006 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.461 -2.576 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.100 -3.563 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.661 -4.781 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.586 -2.953 11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.291 -3.010 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.758 -1.173 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.082 -1.151 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.530 0.578 11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.432 -0.545 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.057 -0.566 12.330 1.00 0.00 H new ATOM 510 N GLN A 33 3.930 -3.565 6.109 1.00 0.00 N ATOM 511 CA GLN A 33 3.552 -2.767 4.953 1.00 0.00 C ATOM 512 C GLN A 33 2.237 -2.041 5.210 1.00 0.00 C ATOM 513 O GLN A 33 1.170 -2.652 5.210 1.00 0.00 O ATOM 514 CB GLN A 33 3.420 -3.655 3.713 1.00 0.00 C ATOM 515 CG GLN A 33 3.238 -2.876 2.420 1.00 0.00 C ATOM 516 CD GLN A 33 2.934 -3.766 1.227 1.00 0.00 C ATOM 517 OE1 GLN A 33 2.279 -3.341 0.278 1.00 0.00 O ATOM 518 NE2 GLN A 33 3.399 -5.005 1.267 1.00 0.00 N ATOM 0 H GLN A 33 3.197 -4.186 6.451 1.00 0.00 H new ATOM 0 HA GLN A 33 4.334 -2.027 4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.309 -4.280 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.571 -4.325 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.428 -2.158 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.143 -2.303 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.939 -5.321 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.217 -5.643 0.492 1.00 0.00 H new ATOM 527 N SER A 34 2.315 -0.745 5.450 1.00 0.00 N ATOM 528 CA SER A 34 1.118 0.056 5.606 1.00 0.00 C ATOM 529 C SER A 34 0.758 0.677 4.264 1.00 0.00 C ATOM 530 O SER A 34 1.304 1.705 3.873 1.00 0.00 O ATOM 531 CB SER A 34 1.324 1.140 6.672 1.00 0.00 C ATOM 532 OG SER A 34 0.103 1.785 6.997 1.00 0.00 O ATOM 0 H SER A 34 3.190 -0.228 5.540 1.00 0.00 H new ATOM 0 HA SER A 34 0.298 -0.580 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.751 0.693 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.041 1.877 6.310 1.00 0.00 H new ATOM 0 HG SER A 34 0.266 2.469 7.680 1.00 0.00 H new ATOM 538 N SER A 35 -0.148 0.033 3.551 1.00 0.00 N ATOM 539 CA SER A 35 -0.515 0.468 2.220 1.00 0.00 C ATOM 540 C SER A 35 -1.782 1.313 2.266 1.00 0.00 C ATOM 541 O SER A 35 -2.897 0.796 2.281 1.00 0.00 O ATOM 542 CB SER A 35 -0.693 -0.750 1.310 1.00 0.00 C ATOM 543 OG SER A 35 -1.446 -1.763 1.960 1.00 0.00 O ATOM 0 H SER A 35 -0.644 -0.797 3.875 1.00 0.00 H new ATOM 0 HA SER A 35 0.282 1.090 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.196 -0.451 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.283 -1.143 1.026 1.00 0.00 H new ATOM 0 HG SER A 35 -1.549 -2.531 1.359 1.00 0.00 H new ATOM 549 N GLU A 36 -1.596 2.616 2.328 1.00 0.00 N ATOM 550 CA GLU A 36 -2.702 3.546 2.406 1.00 0.00 C ATOM 551 C GLU A 36 -3.049 4.066 1.015 1.00 0.00 C ATOM 552 O GLU A 36 -2.266 4.791 0.396 1.00 0.00 O ATOM 553 CB GLU A 36 -2.319 4.695 3.333 1.00 0.00 C ATOM 554 CG GLU A 36 -3.308 5.845 3.353 1.00 0.00 C ATOM 555 CD GLU A 36 -2.682 7.132 3.852 1.00 0.00 C ATOM 556 OE1 GLU A 36 -1.588 7.079 4.455 1.00 0.00 O ATOM 557 OE2 GLU A 36 -3.278 8.206 3.624 1.00 0.00 O ATOM 0 H GLU A 36 -0.677 3.058 2.326 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.582 3.042 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.212 4.307 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.343 5.077 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.702 6.000 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.153 5.584 3.990 1.00 0.00 H new ATOM 564 N THR A 37 -4.210 3.678 0.518 1.00 0.00 N ATOM 565 CA THR A 37 -4.647 4.109 -0.793 1.00 0.00 C ATOM 566 C THR A 37 -5.801 5.104 -0.674 1.00 0.00 C ATOM 567 O THR A 37 -6.889 4.766 -0.210 1.00 0.00 O ATOM 568 CB THR A 37 -5.069 2.905 -1.660 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.006 1.943 -1.705 1.00 0.00 O ATOM 570 CG2 THR A 37 -5.416 3.346 -3.073 1.00 0.00 C ATOM 0 H THR A 37 -4.865 3.066 1.004 1.00 0.00 H new ATOM 0 HA THR A 37 -3.807 4.603 -1.280 1.00 0.00 H new ATOM 0 HB THR A 37 -5.954 2.455 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.279 1.179 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.710 2.478 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.240 4.058 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.547 3.818 -3.531 1.00 0.00 H new ATOM 578 N LYS A 38 -5.541 6.340 -1.066 1.00 0.00 N ATOM 579 CA LYS A 38 -6.547 7.387 -1.029 1.00 0.00 C ATOM 580 C LYS A 38 -7.225 7.502 -2.387 1.00 0.00 C ATOM 581 O LYS A 38 -6.689 8.100 -3.319 1.00 0.00 O ATOM 582 CB LYS A 38 -5.900 8.710 -0.599 1.00 0.00 C ATOM 583 CG LYS A 38 -6.841 9.904 -0.561 1.00 0.00 C ATOM 584 CD LYS A 38 -6.259 11.021 0.294 1.00 0.00 C ATOM 585 CE LYS A 38 -7.055 12.310 0.184 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.764 13.043 -1.073 1.00 0.00 N ATOM 0 H LYS A 38 -4.633 6.644 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.315 7.138 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.464 8.579 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.080 8.934 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.016 10.268 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.808 9.599 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.233 10.701 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.228 11.207 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.120 12.083 0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.827 12.950 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.495 13.766 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.833 13.502 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.760 12.376 -1.871 1.00 0.00 H new ATOM 600 N ILE A 39 -8.393 6.885 -2.506 1.00 0.00 N ATOM 601 CA ILE A 39 -9.110 6.854 -3.767 1.00 0.00 C ATOM 602 C ILE A 39 -10.124 7.984 -3.831 1.00 0.00 C ATOM 603 O ILE A 39 -11.074 8.020 -3.051 1.00 0.00 O ATOM 604 CB ILE A 39 -9.862 5.516 -3.992 1.00 0.00 C ATOM 605 CG1 ILE A 39 -8.957 4.307 -3.742 1.00 0.00 C ATOM 606 CG2 ILE A 39 -10.423 5.457 -5.405 1.00 0.00 C ATOM 607 CD1 ILE A 39 -9.020 3.776 -2.326 1.00 0.00 C ATOM 0 H ILE A 39 -8.862 6.399 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.357 6.966 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.681 5.477 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.234 3.509 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.928 4.583 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.948 4.513 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.116 6.284 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.607 5.532 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.352 2.920 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.713 4.557 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.040 3.467 -2.098 1.00 0.00 H new ATOM 619 N GLN A 40 -9.915 8.915 -4.746 1.00 0.00 N ATOM 620 CA GLN A 40 -10.899 9.956 -5.001 1.00 0.00 C ATOM 621 C GLN A 40 -12.153 9.326 -5.603 1.00 0.00 C ATOM 622 O GLN A 40 -12.062 8.337 -6.330 1.00 0.00 O ATOM 623 CB GLN A 40 -10.333 11.000 -5.966 1.00 0.00 C ATOM 624 CG GLN A 40 -9.088 11.719 -5.460 1.00 0.00 C ATOM 625 CD GLN A 40 -9.353 12.564 -4.229 1.00 0.00 C ATOM 626 OE1 GLN A 40 -9.779 13.710 -4.336 1.00 0.00 O ATOM 627 NE2 GLN A 40 -9.060 12.026 -3.056 1.00 0.00 N ATOM 0 H GLN A 40 -9.076 8.973 -5.324 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.148 10.449 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.096 10.512 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.105 11.740 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.318 10.983 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.694 12.355 -6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.708 11.070 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.186 12.567 -2.201 1.00 0.00 H new ATOM 636 N PHE A 41 -13.321 9.886 -5.315 1.00 0.00 N ATOM 637 CA PHE A 41 -14.562 9.348 -5.873 1.00 0.00 C ATOM 638 C PHE A 41 -14.580 9.480 -7.394 1.00 0.00 C ATOM 639 O PHE A 41 -15.298 8.753 -8.079 1.00 0.00 O ATOM 640 CB PHE A 41 -15.790 10.031 -5.266 1.00 0.00 C ATOM 641 CG PHE A 41 -16.179 9.495 -3.914 1.00 0.00 C ATOM 642 CD1 PHE A 41 -15.481 8.445 -3.337 1.00 0.00 C ATOM 643 CD2 PHE A 41 -17.251 10.040 -3.225 1.00 0.00 C ATOM 644 CE1 PHE A 41 -15.845 7.951 -2.098 1.00 0.00 C ATOM 645 CE2 PHE A 41 -17.618 9.548 -1.986 1.00 0.00 C ATOM 646 CZ PHE A 41 -16.914 8.503 -1.423 1.00 0.00 C ATOM 0 H PHE A 41 -13.439 10.698 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -14.602 8.289 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.594 11.100 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -16.632 9.916 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -14.644 8.008 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -17.806 10.858 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.293 7.133 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -18.455 9.981 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 41 -17.200 8.118 -0.455 1.00 0.00 H new ATOM 656 N ALA A 42 -13.761 10.386 -7.912 1.00 0.00 N ATOM 657 CA ALA A 42 -13.678 10.616 -9.347 1.00 0.00 C ATOM 658 C ALA A 42 -12.924 9.493 -10.054 1.00 0.00 C ATOM 659 O ALA A 42 -13.176 9.209 -11.223 1.00 0.00 O ATOM 660 CB ALA A 42 -13.010 11.954 -9.627 1.00 0.00 C ATOM 0 H ALA A 42 -13.142 10.976 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.695 10.633 -9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.954 12.114 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.593 12.754 -9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.004 11.953 -9.207 1.00 0.00 H new ATOM 666 N SER A 43 -12.007 8.847 -9.343 1.00 0.00 N ATOM 667 CA SER A 43 -11.191 7.800 -9.940 1.00 0.00 C ATOM 668 C SER A 43 -11.832 6.425 -9.769 1.00 0.00 C ATOM 669 O SER A 43 -11.669 5.547 -10.618 1.00 0.00 O ATOM 670 CB SER A 43 -9.784 7.820 -9.340 1.00 0.00 C ATOM 671 OG SER A 43 -9.828 7.911 -7.926 1.00 0.00 O ATOM 0 H SER A 43 -11.812 9.029 -8.359 1.00 0.00 H new ATOM 0 HA SER A 43 -11.120 7.997 -11.010 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.249 6.916 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.226 8.665 -9.744 1.00 0.00 H new ATOM 0 HG SER A 43 -9.045 7.461 -7.545 1.00 0.00 H new ATOM 677 N ILE A 44 -12.564 6.239 -8.677 1.00 0.00 N ATOM 678 CA ILE A 44 -13.260 4.979 -8.442 1.00 0.00 C ATOM 679 C ILE A 44 -14.580 4.940 -9.215 1.00 0.00 C ATOM 680 O ILE A 44 -15.026 3.877 -9.651 1.00 0.00 O ATOM 681 CB ILE A 44 -13.517 4.738 -6.929 1.00 0.00 C ATOM 682 CG1 ILE A 44 -14.286 3.431 -6.706 1.00 0.00 C ATOM 683 CG2 ILE A 44 -14.257 5.914 -6.310 1.00 0.00 C ATOM 684 CD1 ILE A 44 -14.567 3.127 -5.248 1.00 0.00 C ATOM 0 H ILE A 44 -12.691 6.938 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.614 4.178 -8.803 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.550 4.649 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.232 3.480 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.716 2.607 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.425 5.721 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.661 6.820 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.216 6.045 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.114 2.187 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.625 3.044 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.164 3.931 -4.817 1.00 0.00 H new ATOM 696 N GLY A 45 -15.185 6.107 -9.409 1.00 0.00 N ATOM 697 CA GLY A 45 -16.463 6.173 -10.088 1.00 0.00 C ATOM 698 C GLY A 45 -17.616 6.067 -9.118 1.00 0.00 C ATOM 699 O GLY A 45 -18.706 5.623 -9.477 1.00 0.00 O ATOM 0 H GLY A 45 -14.812 7.007 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.535 7.111 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.528 5.368 -10.820 1.00 0.00 H new ATOM 703 N ALA A 46 -17.374 6.476 -7.882 1.00 0.00 N ATOM 704 CA ALA A 46 -18.394 6.429 -6.852 1.00 0.00 C ATOM 705 C ALA A 46 -19.160 7.739 -6.815 1.00 0.00 C ATOM 706 O ALA A 46 -18.572 8.818 -6.892 1.00 0.00 O ATOM 707 CB ALA A 46 -17.781 6.134 -5.494 1.00 0.00 C ATOM 0 H ALA A 46 -16.476 6.845 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 46 -19.087 5.622 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.567 6.104 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.272 5.171 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.064 6.915 -5.241 1.00 0.00 H new ATOM 713 N THR A 47 -20.471 7.637 -6.710 1.00 0.00 N ATOM 714 CA THR A 47 -21.329 8.808 -6.729 1.00 0.00 C ATOM 715 C THR A 47 -21.802 9.152 -5.313 1.00 0.00 C ATOM 716 O THR A 47 -22.364 10.223 -5.068 1.00 0.00 O ATOM 717 CB THR A 47 -22.545 8.560 -7.645 1.00 0.00 C ATOM 718 OG1 THR A 47 -22.134 7.817 -8.805 1.00 0.00 O ATOM 719 CG2 THR A 47 -23.170 9.873 -8.090 1.00 0.00 C ATOM 0 H THR A 47 -20.968 6.752 -6.610 1.00 0.00 H new ATOM 0 HA THR A 47 -20.756 9.649 -7.118 1.00 0.00 H new ATOM 0 HB THR A 47 -23.286 7.994 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.909 7.660 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 47 -24.025 9.669 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 47 -23.500 10.433 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 47 -22.433 10.459 -8.639 1.00 0.00 H new ATOM 727 N THR A 48 -21.568 8.235 -4.381 1.00 0.00 N ATOM 728 CA THR A 48 -21.999 8.400 -2.997 1.00 0.00 C ATOM 729 C THR A 48 -21.117 7.547 -2.078 1.00 0.00 C ATOM 730 O THR A 48 -20.465 6.614 -2.544 1.00 0.00 O ATOM 731 CB THR A 48 -23.484 7.987 -2.832 1.00 0.00 C ATOM 732 OG1 THR A 48 -24.285 8.620 -3.837 1.00 0.00 O ATOM 733 CG2 THR A 48 -24.027 8.372 -1.464 1.00 0.00 C ATOM 0 H THR A 48 -21.076 7.360 -4.562 1.00 0.00 H new ATOM 0 HA THR A 48 -21.901 9.451 -2.724 1.00 0.00 H new ATOM 0 HB THR A 48 -23.531 6.903 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 48 -25.221 8.352 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 48 -25.070 8.066 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 48 -23.445 7.875 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 48 -23.955 9.452 -1.335 1.00 0.00 H new ATOM 741 N LYS A 49 -21.079 7.884 -0.791 1.00 0.00 N ATOM 742 CA LYS A 49 -20.331 7.108 0.198 1.00 0.00 C ATOM 743 C LYS A 49 -20.746 5.634 0.181 1.00 0.00 C ATOM 744 O LYS A 49 -19.910 4.749 -0.005 1.00 0.00 O ATOM 745 CB LYS A 49 -20.540 7.702 1.595 1.00 0.00 C ATOM 746 CG LYS A 49 -19.995 6.836 2.718 1.00 0.00 C ATOM 747 CD LYS A 49 -20.170 7.497 4.076 1.00 0.00 C ATOM 748 CE LYS A 49 -21.635 7.734 4.408 1.00 0.00 C ATOM 749 NZ LYS A 49 -21.803 8.360 5.745 1.00 0.00 N ATOM 0 H LYS A 49 -21.561 8.696 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.273 7.159 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.062 8.680 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.606 7.861 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.505 5.873 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.937 6.638 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.721 6.869 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.637 8.448 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.081 8.375 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.172 6.786 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.815 8.506 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.400 7.737 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.312 9.277 5.763 1.00 0.00 H new ATOM 763 N GLU A 50 -22.038 5.378 0.374 1.00 0.00 N ATOM 764 CA GLU A 50 -22.567 4.013 0.351 1.00 0.00 C ATOM 765 C GLU A 50 -22.365 3.387 -1.029 1.00 0.00 C ATOM 766 O GLU A 50 -22.153 2.180 -1.158 1.00 0.00 O ATOM 767 CB GLU A 50 -24.052 4.020 0.736 1.00 0.00 C ATOM 768 CG GLU A 50 -24.671 2.637 0.873 1.00 0.00 C ATOM 769 CD GLU A 50 -25.624 2.308 -0.259 1.00 0.00 C ATOM 770 OE1 GLU A 50 -26.818 2.660 -0.154 1.00 0.00 O ATOM 771 OE2 GLU A 50 -25.191 1.692 -1.253 1.00 0.00 O ATOM 0 H GLU A 50 -22.740 6.097 0.548 1.00 0.00 H new ATOM 0 HA GLU A 50 -22.024 3.410 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.168 4.552 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.607 4.581 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.878 1.890 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.205 2.575 1.821 1.00 0.00 H new ATOM 778 N ASP A 51 -22.405 4.226 -2.053 1.00 0.00 N ATOM 779 CA ASP A 51 -22.175 3.786 -3.424 1.00 0.00 C ATOM 780 C ASP A 51 -20.747 3.268 -3.587 1.00 0.00 C ATOM 781 O ASP A 51 -20.514 2.240 -4.224 1.00 0.00 O ATOM 782 CB ASP A 51 -22.446 4.941 -4.387 1.00 0.00 C ATOM 783 CG ASP A 51 -22.227 4.566 -5.834 1.00 0.00 C ATOM 784 OD1 ASP A 51 -22.993 3.733 -6.358 1.00 0.00 O ATOM 785 OD2 ASP A 51 -21.301 5.120 -6.455 1.00 0.00 O ATOM 0 H ASP A 51 -22.596 5.224 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.857 2.968 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.473 5.282 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -21.797 5.779 -4.132 1.00 0.00 H new ATOM 790 N ALA A 52 -19.800 3.976 -2.985 1.00 0.00 N ATOM 791 CA ALA A 52 -18.408 3.551 -2.978 1.00 0.00 C ATOM 792 C ALA A 52 -18.256 2.254 -2.199 1.00 0.00 C ATOM 793 O ALA A 52 -17.487 1.371 -2.583 1.00 0.00 O ATOM 794 CB ALA A 52 -17.523 4.630 -2.374 1.00 0.00 C ATOM 0 H ALA A 52 -19.973 4.852 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.095 3.382 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.486 4.294 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.610 5.544 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.837 4.827 -1.349 1.00 0.00 H new ATOM 800 N ALA A 53 -19.006 2.143 -1.108 1.00 0.00 N ATOM 801 CA ALA A 53 -18.982 0.948 -0.277 1.00 0.00 C ATOM 802 C ALA A 53 -19.373 -0.285 -1.086 1.00 0.00 C ATOM 803 O ALA A 53 -18.743 -1.329 -0.965 1.00 0.00 O ATOM 804 CB ALA A 53 -19.900 1.109 0.925 1.00 0.00 C ATOM 0 H ALA A 53 -19.640 2.871 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.963 0.810 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.867 0.204 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.571 1.959 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.921 1.279 0.583 1.00 0.00 H new ATOM 810 N LYS A 54 -20.391 -0.152 -1.936 1.00 0.00 N ATOM 811 CA LYS A 54 -20.839 -1.266 -2.776 1.00 0.00 C ATOM 812 C LYS A 54 -19.719 -1.772 -3.686 1.00 0.00 C ATOM 813 O LYS A 54 -19.765 -2.902 -4.171 1.00 0.00 O ATOM 814 CB LYS A 54 -22.045 -0.863 -3.632 1.00 0.00 C ATOM 815 CG LYS A 54 -23.342 -0.707 -2.853 1.00 0.00 C ATOM 816 CD LYS A 54 -24.545 -0.661 -3.788 1.00 0.00 C ATOM 817 CE LYS A 54 -24.590 0.622 -4.606 1.00 0.00 C ATOM 818 NZ LYS A 54 -25.262 1.727 -3.873 1.00 0.00 N ATOM 0 H LYS A 54 -20.920 0.711 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.131 -2.071 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.821 0.078 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.190 -1.613 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.452 -1.537 -2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.305 0.206 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.513 -1.518 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.461 -0.749 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.575 0.923 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.115 0.436 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.039 2.634 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.291 1.576 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.927 1.745 -2.889 1.00 0.00 H new ATOM 832 N THR A 55 -18.716 -0.939 -3.912 1.00 0.00 N ATOM 833 CA THR A 55 -17.604 -1.302 -4.773 1.00 0.00 C ATOM 834 C THR A 55 -16.399 -1.772 -3.953 1.00 0.00 C ATOM 835 O THR A 55 -15.665 -2.670 -4.367 1.00 0.00 O ATOM 836 CB THR A 55 -17.200 -0.107 -5.663 1.00 0.00 C ATOM 837 OG1 THR A 55 -18.350 0.371 -6.379 1.00 0.00 O ATOM 838 CG2 THR A 55 -16.109 -0.495 -6.653 1.00 0.00 C ATOM 0 H THR A 55 -18.650 -0.004 -3.509 1.00 0.00 H new ATOM 0 HA THR A 55 -17.929 -2.127 -5.407 1.00 0.00 H new ATOM 0 HB THR A 55 -16.809 0.679 -5.017 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.092 1.131 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.848 0.369 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.228 -0.834 -6.109 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.470 -1.298 -7.296 1.00 0.00 H new ATOM 846 N LEU A 56 -16.215 -1.182 -2.778 1.00 0.00 N ATOM 847 CA LEU A 56 -15.045 -1.469 -1.953 1.00 0.00 C ATOM 848 C LEU A 56 -15.260 -2.674 -1.038 1.00 0.00 C ATOM 849 O LEU A 56 -14.329 -3.430 -0.778 1.00 0.00 O ATOM 850 CB LEU A 56 -14.673 -0.236 -1.125 1.00 0.00 C ATOM 851 CG LEU A 56 -14.219 0.976 -1.943 1.00 0.00 C ATOM 852 CD1 LEU A 56 -13.934 2.160 -1.033 1.00 0.00 C ATOM 853 CD2 LEU A 56 -12.988 0.629 -2.770 1.00 0.00 C ATOM 0 H LEU A 56 -16.860 -0.502 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.225 -1.719 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.534 0.053 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.876 -0.508 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.025 1.253 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.613 3.011 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.838 2.423 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.146 1.895 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.678 1.501 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.178 0.326 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.225 -0.189 -3.450 1.00 0.00 H new ATOM 865 N GLU A 57 -16.488 -2.862 -0.571 1.00 0.00 N ATOM 866 CA GLU A 57 -16.810 -3.951 0.355 1.00 0.00 C ATOM 867 C GLU A 57 -16.374 -5.329 -0.172 1.00 0.00 C ATOM 868 O GLU A 57 -15.681 -6.058 0.535 1.00 0.00 O ATOM 869 CB GLU A 57 -18.303 -3.952 0.684 1.00 0.00 C ATOM 870 CG GLU A 57 -18.700 -2.874 1.677 1.00 0.00 C ATOM 871 CD GLU A 57 -18.320 -3.231 3.095 1.00 0.00 C ATOM 872 OE1 GLU A 57 -17.194 -2.904 3.516 1.00 0.00 O ATOM 873 OE2 GLU A 57 -19.152 -3.849 3.795 1.00 0.00 O ATOM 0 H GLU A 57 -17.284 -2.273 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.242 -3.767 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.871 -3.815 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.579 -4.927 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.221 -1.935 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.776 -2.711 1.622 1.00 0.00 H new ATOM 880 N PRO A 58 -16.764 -5.723 -1.407 1.00 0.00 N ATOM 881 CA PRO A 58 -16.357 -7.018 -1.970 1.00 0.00 C ATOM 882 C PRO A 58 -14.879 -7.050 -2.357 1.00 0.00 C ATOM 883 O PRO A 58 -14.333 -8.104 -2.688 1.00 0.00 O ATOM 884 CB PRO A 58 -17.241 -7.163 -3.211 1.00 0.00 C ATOM 885 CG PRO A 58 -17.560 -5.766 -3.613 1.00 0.00 C ATOM 886 CD PRO A 58 -17.635 -4.972 -2.339 1.00 0.00 C ATOM 0 HA PRO A 58 -16.476 -7.828 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.721 -7.695 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.146 -7.728 -2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -16.793 -5.367 -4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.505 -5.723 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.282 -3.951 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.658 -4.907 -1.967 1.00 0.00 H new ATOM 894 N LEU A 59 -14.238 -5.890 -2.302 1.00 0.00 N ATOM 895 CA LEU A 59 -12.832 -5.766 -2.649 1.00 0.00 C ATOM 896 C LEU A 59 -11.975 -5.969 -1.401 1.00 0.00 C ATOM 897 O LEU A 59 -11.101 -6.832 -1.372 1.00 0.00 O ATOM 898 CB LEU A 59 -12.576 -4.389 -3.286 1.00 0.00 C ATOM 899 CG LEU A 59 -11.218 -4.198 -3.980 1.00 0.00 C ATOM 900 CD1 LEU A 59 -11.284 -3.019 -4.937 1.00 0.00 C ATOM 901 CD2 LEU A 59 -10.103 -3.972 -2.968 1.00 0.00 C ATOM 0 H LEU A 59 -14.677 -5.014 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 59 -12.560 -6.532 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.362 -4.199 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.672 -3.630 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.996 -5.110 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.317 -2.891 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.049 -3.205 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.533 -2.114 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.157 -3.841 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.320 -3.079 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.034 -4.834 -2.305 1.00 0.00 H new ATOM 913 N SER A 60 -12.249 -5.188 -0.364 1.00 0.00 N ATOM 914 CA SER A 60 -11.499 -5.275 0.883 1.00 0.00 C ATOM 915 C SER A 60 -11.720 -6.632 1.558 1.00 0.00 C ATOM 916 O SER A 60 -10.869 -7.113 2.305 1.00 0.00 O ATOM 917 CB SER A 60 -11.915 -4.142 1.818 1.00 0.00 C ATOM 918 OG SER A 60 -12.010 -2.914 1.112 1.00 0.00 O ATOM 0 H SER A 60 -12.988 -4.485 -0.362 1.00 0.00 H new ATOM 0 HA SER A 60 -10.437 -5.179 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.875 -4.378 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.190 -4.047 2.626 1.00 0.00 H new ATOM 0 HG SER A 60 -11.112 -2.548 0.969 1.00 0.00 H new ATOM 924 N ALA A 61 -12.858 -7.259 1.261 1.00 0.00 N ATOM 925 CA ALA A 61 -13.191 -8.570 1.818 1.00 0.00 C ATOM 926 C ALA A 61 -12.266 -9.661 1.280 1.00 0.00 C ATOM 927 O ALA A 61 -12.276 -10.789 1.769 1.00 0.00 O ATOM 928 CB ALA A 61 -14.640 -8.917 1.520 1.00 0.00 C ATOM 0 H ALA A 61 -13.568 -6.878 0.635 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.051 -8.516 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.874 -9.895 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.293 -8.166 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.794 -8.939 0.441 1.00 0.00 H new ATOM 934 N LYS A 62 -11.470 -9.325 0.271 1.00 0.00 N ATOM 935 CA LYS A 62 -10.489 -10.262 -0.257 1.00 0.00 C ATOM 936 C LYS A 62 -9.347 -10.434 0.736 1.00 0.00 C ATOM 937 O LYS A 62 -8.680 -11.465 0.757 1.00 0.00 O ATOM 938 CB LYS A 62 -9.959 -9.785 -1.609 1.00 0.00 C ATOM 939 CG LYS A 62 -11.035 -9.700 -2.680 1.00 0.00 C ATOM 940 CD LYS A 62 -10.477 -9.188 -3.998 1.00 0.00 C ATOM 941 CE LYS A 62 -11.564 -9.098 -5.058 1.00 0.00 C ATOM 942 NZ LYS A 62 -11.029 -8.659 -6.372 1.00 0.00 N ATOM 0 H LYS A 62 -11.485 -8.417 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.973 -11.227 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.500 -8.804 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.175 -10.464 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.478 -10.685 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.834 -9.040 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.029 -8.206 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.684 -9.852 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.043 -10.071 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.334 -8.400 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.804 -8.612 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.595 -7.719 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.313 -9.338 -6.700 1.00 0.00 H new ATOM 956 N TYR A 63 -9.165 -9.431 1.590 1.00 0.00 N ATOM 957 CA TYR A 63 -8.145 -9.466 2.635 1.00 0.00 C ATOM 958 C TYR A 63 -8.645 -10.237 3.848 1.00 0.00 C ATOM 959 O TYR A 63 -8.144 -10.048 4.954 1.00 0.00 O ATOM 960 CB TYR A 63 -7.750 -8.049 3.056 1.00 0.00 C ATOM 961 CG TYR A 63 -7.040 -7.261 1.983 1.00 0.00 C ATOM 962 CD1 TYR A 63 -5.661 -7.313 1.866 1.00 0.00 C ATOM 963 CD2 TYR A 63 -7.748 -6.462 1.092 1.00 0.00 C ATOM 964 CE1 TYR A 63 -5.001 -6.593 0.892 1.00 0.00 C ATOM 965 CE2 TYR A 63 -7.096 -5.737 0.115 1.00 0.00 C ATOM 966 CZ TYR A 63 -5.723 -5.803 0.018 1.00 0.00 C ATOM 967 OH TYR A 63 -5.071 -5.077 -0.951 1.00 0.00 O ATOM 0 H TYR A 63 -9.718 -8.574 1.578 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.269 -9.971 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.647 -7.507 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.106 -8.109 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.093 -7.927 2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.824 -6.408 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.925 -6.646 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.659 -5.121 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.726 -4.577 -1.481 1.00 0.00 H new ATOM 977 N LYS A 64 -9.631 -11.100 3.621 1.00 0.00 N ATOM 978 CA LYS A 64 -10.276 -11.881 4.675 1.00 0.00 C ATOM 979 C LYS A 64 -9.257 -12.686 5.492 1.00 0.00 C ATOM 980 O LYS A 64 -8.920 -13.820 5.144 1.00 0.00 O ATOM 981 CB LYS A 64 -11.315 -12.810 4.040 1.00 0.00 C ATOM 982 CG LYS A 64 -12.152 -13.599 5.032 1.00 0.00 C ATOM 983 CD LYS A 64 -13.162 -14.489 4.318 1.00 0.00 C ATOM 984 CE LYS A 64 -12.493 -15.374 3.272 1.00 0.00 C ATOM 985 NZ LYS A 64 -13.476 -16.190 2.512 1.00 0.00 N ATOM 0 H LYS A 64 -10.009 -11.280 2.691 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.766 -11.196 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.981 -12.215 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.802 -13.510 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.500 -14.212 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.675 -12.912 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.677 -15.114 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.919 -13.868 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.929 -14.750 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.777 -16.034 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.975 -16.775 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.998 -16.805 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.144 -15.561 2.022 1.00 0.00 H new ATOM 999 N ASN A 65 -8.760 -12.054 6.555 1.00 0.00 N ATOM 1000 CA ASN A 65 -7.813 -12.655 7.500 1.00 0.00 C ATOM 1001 C ASN A 65 -6.643 -13.345 6.788 1.00 0.00 C ATOM 1002 O ASN A 65 -6.284 -14.476 7.116 1.00 0.00 O ATOM 1003 CB ASN A 65 -8.533 -13.640 8.433 1.00 0.00 C ATOM 1004 CG ASN A 65 -7.784 -13.851 9.741 1.00 0.00 C ATOM 1005 OD1 ASN A 65 -6.978 -14.772 9.879 1.00 0.00 O ATOM 1006 ND2 ASN A 65 -8.040 -12.987 10.711 1.00 0.00 N ATOM 0 H ASN A 65 -9.007 -11.093 6.790 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.395 -11.844 8.096 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.535 -13.268 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.650 -14.598 7.926 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.563 -13.072 11.609 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.714 -12.236 10.561 1.00 0.00 H new ATOM 1013 N ILE A 66 -6.047 -12.659 5.812 1.00 0.00 N ATOM 1014 CA ILE A 66 -4.853 -13.180 5.145 1.00 0.00 C ATOM 1015 C ILE A 66 -3.708 -13.235 6.146 1.00 0.00 C ATOM 1016 O ILE A 66 -3.012 -14.241 6.288 1.00 0.00 O ATOM 1017 CB ILE A 66 -4.411 -12.293 3.960 1.00 0.00 C ATOM 1018 CG1 ILE A 66 -5.570 -12.045 2.994 1.00 0.00 C ATOM 1019 CG2 ILE A 66 -3.234 -12.930 3.231 1.00 0.00 C ATOM 1020 CD1 ILE A 66 -5.178 -11.216 1.786 1.00 0.00 C ATOM 0 H ILE A 66 -6.366 -11.753 5.469 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.100 -14.170 4.761 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.095 -11.329 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.963 -13.004 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.376 -11.540 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.934 -12.293 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.398 -13.044 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.528 -13.909 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.047 -11.078 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.812 -10.244 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.393 -11.730 1.231 1.00 0.00 H new ATOM 1032 N ALA A 67 -3.549 -12.128 6.844 1.00 0.00 N ATOM 1033 CA ALA A 67 -2.523 -11.960 7.849 1.00 0.00 C ATOM 1034 C ALA A 67 -3.035 -10.958 8.870 1.00 0.00 C ATOM 1035 O ALA A 67 -4.250 -10.825 9.037 1.00 0.00 O ATOM 1036 CB ALA A 67 -1.236 -11.469 7.198 1.00 0.00 C ATOM 0 H ALA A 67 -4.141 -11.306 6.725 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.302 -12.907 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.467 -11.344 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.901 -12.198 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.418 -10.513 6.707 1.00 0.00 H new ATOM 1042 N GLY A 68 -2.139 -10.247 9.532 1.00 0.00 N ATOM 1043 CA GLY A 68 -2.557 -9.154 10.386 1.00 0.00 C ATOM 1044 C GLY A 68 -2.930 -7.945 9.553 1.00 0.00 C ATOM 1045 O GLY A 68 -2.421 -6.847 9.767 1.00 0.00 O ATOM 0 H GLY A 68 -1.132 -10.405 9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.409 -9.463 10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.753 -8.895 11.075 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.821 -8.166 8.595 1.00 0.00 N ATOM 1050 CA VAL A 69 -4.184 -7.155 7.622 1.00 0.00 C ATOM 1051 C VAL A 69 -5.351 -6.306 8.121 1.00 0.00 C ATOM 1052 O VAL A 69 -6.485 -6.770 8.220 1.00 0.00 O ATOM 1053 CB VAL A 69 -4.517 -7.791 6.242 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -3.263 -8.366 5.600 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -5.574 -8.877 6.363 1.00 0.00 C ATOM 0 H VAL A 69 -4.310 -9.053 8.474 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.321 -6.502 7.490 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.915 -6.998 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.517 -8.806 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.531 -7.571 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.841 -9.133 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.779 -9.297 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.213 -9.664 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.489 -8.450 6.773 1.00 0.00 H new ATOM 1065 N GLU A 70 -5.049 -5.069 8.474 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.066 -4.128 8.913 1.00 0.00 C ATOM 1067 C GLU A 70 -6.552 -3.291 7.739 1.00 0.00 C ATOM 1068 O GLU A 70 -5.777 -2.543 7.139 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.508 -3.220 10.011 1.00 0.00 C ATOM 1070 CG GLU A 70 -5.356 -3.907 11.359 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.686 -4.102 12.056 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -7.394 -5.084 11.747 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -7.040 -3.261 12.908 1.00 0.00 O ATOM 0 H GLU A 70 -4.102 -4.690 8.465 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.909 -4.689 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.536 -2.840 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.165 -2.358 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.876 -4.876 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.698 -3.314 11.995 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.822 -3.437 7.399 1.00 0.00 N ATOM 1081 CA GLU A 71 -8.423 -2.655 6.332 1.00 0.00 C ATOM 1082 C GLU A 71 -9.352 -1.589 6.903 1.00 0.00 C ATOM 1083 O GLU A 71 -10.352 -1.898 7.545 1.00 0.00 O ATOM 1084 CB GLU A 71 -9.169 -3.563 5.337 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.660 -4.889 5.917 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.708 -4.731 7.000 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -11.902 -4.564 6.665 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.341 -4.775 8.194 1.00 0.00 O ATOM 0 H GLU A 71 -8.459 -4.094 7.849 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.624 -2.151 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.026 -3.017 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.509 -3.774 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.072 -5.497 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.809 -5.434 6.325 1.00 0.00 H new ATOM 1095 N LYS A 72 -9.005 -0.331 6.701 1.00 0.00 N ATOM 1096 CA LYS A 72 -9.838 0.764 7.174 1.00 0.00 C ATOM 1097 C LYS A 72 -10.391 1.570 6.012 1.00 0.00 C ATOM 1098 O LYS A 72 -9.696 2.402 5.430 1.00 0.00 O ATOM 1099 CB LYS A 72 -9.078 1.681 8.137 1.00 0.00 C ATOM 1100 CG LYS A 72 -8.980 1.152 9.562 1.00 0.00 C ATOM 1101 CD LYS A 72 -8.035 -0.032 9.667 1.00 0.00 C ATOM 1102 CE LYS A 72 -8.022 -0.616 11.070 1.00 0.00 C ATOM 1103 NZ LYS A 72 -9.322 -1.241 11.431 1.00 0.00 N ATOM 0 H LYS A 72 -8.156 -0.041 6.215 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.670 0.319 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.071 1.839 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.568 2.654 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.637 1.949 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.971 0.857 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.334 -0.801 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.027 0.281 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.230 -1.361 11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.788 0.171 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.209 -1.798 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.033 -0.498 11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.634 -1.864 10.659 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.641 1.293 5.669 1.00 0.00 N ATOM 1118 CA LEU A 73 -12.345 2.033 4.638 1.00 0.00 C ATOM 1119 C LEU A 73 -12.942 3.298 5.233 1.00 0.00 C ATOM 1120 O LEU A 73 -13.994 3.259 5.867 1.00 0.00 O ATOM 1121 CB LEU A 73 -13.464 1.170 4.045 1.00 0.00 C ATOM 1122 CG LEU A 73 -13.006 -0.072 3.278 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -14.166 -1.032 3.081 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -12.422 0.324 1.933 1.00 0.00 C ATOM 0 H LEU A 73 -12.193 0.550 6.098 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.641 2.299 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.121 0.853 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.060 1.790 3.375 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.234 -0.573 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.823 -1.910 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.554 -1.339 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.955 -0.537 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.100 -0.570 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.179 0.845 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.567 0.982 2.087 1.00 0.00 H new ATOM 1136 N THR A 74 -12.263 4.419 5.052 1.00 0.00 N ATOM 1137 CA THR A 74 -12.750 5.675 5.588 1.00 0.00 C ATOM 1138 C THR A 74 -13.376 6.522 4.485 1.00 0.00 C ATOM 1139 O THR A 74 -12.722 6.866 3.498 1.00 0.00 O ATOM 1140 CB THR A 74 -11.632 6.464 6.299 1.00 0.00 C ATOM 1141 OG1 THR A 74 -10.572 6.765 5.387 1.00 0.00 O ATOM 1142 CG2 THR A 74 -11.066 5.676 7.468 1.00 0.00 C ATOM 0 H THR A 74 -11.382 4.483 4.543 1.00 0.00 H new ATOM 0 HA THR A 74 -13.513 5.439 6.330 1.00 0.00 H new ATOM 0 HB THR A 74 -12.071 7.390 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.241 5.935 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.280 6.256 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.859 5.471 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.652 4.735 7.106 1.00 0.00 H new ATOM 1150 N TYR A 75 -14.649 6.832 4.645 1.00 0.00 N ATOM 1151 CA TYR A 75 -15.373 7.610 3.655 1.00 0.00 C ATOM 1152 C TYR A 75 -15.620 9.017 4.183 1.00 0.00 C ATOM 1153 O TYR A 75 -16.493 9.226 5.025 1.00 0.00 O ATOM 1154 CB TYR A 75 -16.706 6.940 3.317 1.00 0.00 C ATOM 1155 CG TYR A 75 -16.597 5.468 2.977 1.00 0.00 C ATOM 1156 CD1 TYR A 75 -16.217 5.049 1.708 1.00 0.00 C ATOM 1157 CD2 TYR A 75 -16.886 4.495 3.928 1.00 0.00 C ATOM 1158 CE1 TYR A 75 -16.128 3.704 1.397 1.00 0.00 C ATOM 1159 CE2 TYR A 75 -16.797 3.151 3.626 1.00 0.00 C ATOM 1160 CZ TYR A 75 -16.418 2.759 2.359 1.00 0.00 C ATOM 1161 OH TYR A 75 -16.330 1.419 2.056 1.00 0.00 O ATOM 0 H TYR A 75 -15.205 6.556 5.454 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.772 7.666 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -17.382 7.056 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -17.158 7.463 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.987 5.785 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -17.186 4.797 4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -15.833 3.395 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -17.023 2.410 4.378 1.00 0.00 H new ATOM 0 HH TYR A 75 -16.566 0.889 2.846 1.00 0.00 H new ATOM 1171 N THR A 76 -14.842 9.972 3.701 1.00 0.00 N ATOM 1172 CA THR A 76 -14.936 11.339 4.184 1.00 0.00 C ATOM 1173 C THR A 76 -16.116 12.072 3.559 1.00 0.00 C ATOM 1174 O THR A 76 -17.106 12.366 4.231 1.00 0.00 O ATOM 1175 CB THR A 76 -13.634 12.108 3.900 1.00 0.00 C ATOM 1176 OG1 THR A 76 -12.514 11.306 4.293 1.00 0.00 O ATOM 1177 CG2 THR A 76 -13.604 13.428 4.657 1.00 0.00 C ATOM 0 H THR A 76 -14.139 9.826 2.976 1.00 0.00 H new ATOM 0 HA THR A 76 -15.094 11.292 5.261 1.00 0.00 H new ATOM 0 HB THR A 76 -13.584 12.323 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.805 11.383 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.673 13.952 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.448 14.044 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.669 13.235 5.728 1.00 0.00 H new ATOM 1185 N ASP A 77 -16.004 12.351 2.276 1.00 0.00 N ATOM 1186 CA ASP A 77 -17.048 13.071 1.551 1.00 0.00 C ATOM 1187 C ASP A 77 -16.904 12.871 0.044 1.00 0.00 C ATOM 1188 O ASP A 77 -17.849 12.463 -0.626 1.00 0.00 O ATOM 1189 CB ASP A 77 -17.022 14.573 1.896 1.00 0.00 C ATOM 1190 CG ASP A 77 -15.778 15.288 1.394 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -14.670 14.972 1.869 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -15.904 16.155 0.502 1.00 0.00 O ATOM 0 H ASP A 77 -15.199 12.091 1.706 1.00 0.00 H new ATOM 0 HA ASP A 77 -18.010 12.663 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.904 15.051 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.088 14.691 2.978 1.00 0.00 H new ATOM 1197 N THR A 78 -15.719 13.150 -0.483 1.00 0.00 N ATOM 1198 CA THR A 78 -15.479 13.044 -1.913 1.00 0.00 C ATOM 1199 C THR A 78 -14.360 12.058 -2.219 1.00 0.00 C ATOM 1200 O THR A 78 -13.902 11.948 -3.360 1.00 0.00 O ATOM 1201 CB THR A 78 -15.140 14.422 -2.513 1.00 0.00 C ATOM 1202 OG1 THR A 78 -14.324 15.164 -1.592 1.00 0.00 O ATOM 1203 CG2 THR A 78 -16.405 15.205 -2.829 1.00 0.00 C ATOM 0 H THR A 78 -14.910 13.451 0.060 1.00 0.00 H new ATOM 0 HA THR A 78 -16.396 12.673 -2.370 1.00 0.00 H new ATOM 0 HB THR A 78 -14.593 14.267 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.890 15.548 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.137 16.174 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.007 14.649 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.979 15.354 -1.914 1.00 0.00 H new ATOM 1211 N TYR A 79 -13.930 11.323 -1.203 1.00 0.00 N ATOM 1212 CA TYR A 79 -12.887 10.331 -1.383 1.00 0.00 C ATOM 1213 C TYR A 79 -12.996 9.234 -0.336 1.00 0.00 C ATOM 1214 O TYR A 79 -13.540 9.446 0.752 1.00 0.00 O ATOM 1215 CB TYR A 79 -11.498 10.980 -1.330 1.00 0.00 C ATOM 1216 CG TYR A 79 -11.070 11.476 0.038 1.00 0.00 C ATOM 1217 CD1 TYR A 79 -11.429 12.739 0.493 1.00 0.00 C ATOM 1218 CD2 TYR A 79 -10.287 10.679 0.867 1.00 0.00 C ATOM 1219 CE1 TYR A 79 -11.022 13.193 1.734 1.00 0.00 C ATOM 1220 CE2 TYR A 79 -9.875 11.127 2.106 1.00 0.00 C ATOM 1221 CZ TYR A 79 -10.244 12.382 2.536 1.00 0.00 C ATOM 1222 OH TYR A 79 -9.832 12.829 3.773 1.00 0.00 O ATOM 0 H TYR A 79 -14.287 11.396 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.020 9.883 -2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.763 10.257 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.480 11.819 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.036 13.376 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.997 9.693 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.311 14.176 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.266 10.496 2.736 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.545 12.679 4.429 1.00 0.00 H new ATOM 1232 N ALA A 80 -12.487 8.066 -0.686 1.00 0.00 N ATOM 1233 CA ALA A 80 -12.437 6.939 0.222 1.00 0.00 C ATOM 1234 C ALA A 80 -10.989 6.570 0.493 1.00 0.00 C ATOM 1235 O ALA A 80 -10.245 6.215 -0.424 1.00 0.00 O ATOM 1236 CB ALA A 80 -13.192 5.753 -0.359 1.00 0.00 C ATOM 0 H ALA A 80 -12.097 7.874 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.915 7.215 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.144 4.915 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.234 6.030 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.740 5.463 -1.308 1.00 0.00 H new ATOM 1242 N GLN A 81 -10.582 6.671 1.740 1.00 0.00 N ATOM 1243 CA GLN A 81 -9.214 6.380 2.125 1.00 0.00 C ATOM 1244 C GLN A 81 -9.127 4.968 2.676 1.00 0.00 C ATOM 1245 O GLN A 81 -9.506 4.725 3.826 1.00 0.00 O ATOM 1246 CB GLN A 81 -8.741 7.382 3.178 1.00 0.00 C ATOM 1247 CG GLN A 81 -7.268 7.270 3.550 1.00 0.00 C ATOM 1248 CD GLN A 81 -6.918 8.137 4.747 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -7.753 8.371 5.621 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -5.687 8.615 4.805 1.00 0.00 N ATOM 0 H GLN A 81 -11.184 6.955 2.513 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.572 6.462 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.933 8.390 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.340 7.251 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.028 6.230 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.655 7.563 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.021 8.401 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.403 9.198 5.592 1.00 0.00 H new ATOM 1259 N GLU A 82 -8.669 4.033 1.860 1.00 0.00 N ATOM 1260 CA GLU A 82 -8.479 2.669 2.313 1.00 0.00 C ATOM 1261 C GLU A 82 -7.100 2.544 2.939 1.00 0.00 C ATOM 1262 O GLU A 82 -6.098 2.339 2.248 1.00 0.00 O ATOM 1263 CB GLU A 82 -8.652 1.658 1.171 1.00 0.00 C ATOM 1264 CG GLU A 82 -8.551 0.208 1.631 1.00 0.00 C ATOM 1265 CD GLU A 82 -8.785 -0.795 0.515 1.00 0.00 C ATOM 1266 OE1 GLU A 82 -7.932 -0.888 -0.393 1.00 0.00 O ATOM 1267 OE2 GLU A 82 -9.819 -1.500 0.556 1.00 0.00 O ATOM 0 H GLU A 82 -8.423 4.195 0.883 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.243 2.439 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.622 1.816 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.893 1.845 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.564 0.039 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.278 0.034 2.424 1.00 0.00 H new ATOM 1274 N ASN A 83 -7.050 2.734 4.244 1.00 0.00 N ATOM 1275 CA ASN A 83 -5.801 2.643 4.975 1.00 0.00 C ATOM 1276 C ASN A 83 -5.555 1.193 5.347 1.00 0.00 C ATOM 1277 O ASN A 83 -6.178 0.664 6.268 1.00 0.00 O ATOM 1278 CB ASN A 83 -5.850 3.518 6.232 1.00 0.00 C ATOM 1279 CG ASN A 83 -4.480 3.794 6.845 1.00 0.00 C ATOM 1280 OD1 ASN A 83 -3.542 2.863 6.713 1.00 0.00 O flip ATOM 1281 ND2 ASN A 83 -4.267 4.849 7.439 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.862 2.953 4.821 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.985 3.002 4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.324 4.467 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.480 3.032 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.008 5.545 7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.349 5.028 7.847 1.00 0.00 H new ATOM 1288 N VAL A 84 -4.666 0.544 4.618 1.00 0.00 N ATOM 1289 CA VAL A 84 -4.391 -0.863 4.852 1.00 0.00 C ATOM 1290 C VAL A 84 -3.114 -1.017 5.668 1.00 0.00 C ATOM 1291 O VAL A 84 -2.164 -0.253 5.504 1.00 0.00 O ATOM 1292 CB VAL A 84 -4.261 -1.650 3.527 1.00 0.00 C ATOM 1293 CG1 VAL A 84 -4.168 -3.146 3.789 1.00 0.00 C ATOM 1294 CG2 VAL A 84 -5.426 -1.341 2.597 1.00 0.00 C ATOM 0 H VAL A 84 -4.124 0.965 3.863 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.234 -1.275 5.406 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.340 -1.333 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.077 -3.676 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.294 -3.354 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.066 -3.481 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.313 -1.906 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.362 -1.621 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.439 -0.275 2.372 1.00 0.00 H new ATOM 1304 N THR A 85 -3.113 -1.978 6.573 1.00 0.00 N ATOM 1305 CA THR A 85 -1.940 -2.268 7.372 1.00 0.00 C ATOM 1306 C THR A 85 -1.670 -3.764 7.352 1.00 0.00 C ATOM 1307 O THR A 85 -2.334 -4.535 8.041 1.00 0.00 O ATOM 1308 CB THR A 85 -2.113 -1.788 8.827 1.00 0.00 C ATOM 1309 OG1 THR A 85 -2.574 -0.431 8.838 1.00 0.00 O ATOM 1310 CG2 THR A 85 -0.799 -1.886 9.589 1.00 0.00 C ATOM 0 H THR A 85 -3.917 -2.573 6.773 1.00 0.00 H new ATOM 0 HA THR A 85 -1.095 -1.731 6.942 1.00 0.00 H new ATOM 0 HB THR A 85 -2.847 -2.429 9.316 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.684 -0.130 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.946 -1.542 10.613 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.461 -2.922 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.048 -1.264 9.101 1.00 0.00 H new ATOM 1318 N ILE A 86 -0.725 -4.165 6.524 1.00 0.00 N ATOM 1319 CA ILE A 86 -0.383 -5.565 6.366 1.00 0.00 C ATOM 1320 C ILE A 86 0.898 -5.878 7.124 1.00 0.00 C ATOM 1321 O ILE A 86 1.850 -5.099 7.088 1.00 0.00 O ATOM 1322 CB ILE A 86 -0.184 -5.913 4.873 1.00 0.00 C ATOM 1323 CG1 ILE A 86 -1.436 -5.549 4.069 1.00 0.00 C ATOM 1324 CG2 ILE A 86 0.155 -7.388 4.700 1.00 0.00 C ATOM 1325 CD1 ILE A 86 -1.289 -5.770 2.577 1.00 0.00 C ATOM 0 H ILE A 86 -0.174 -3.532 5.944 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.203 -6.162 6.766 1.00 0.00 H new ATOM 0 HB ILE A 86 0.654 -5.328 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.276 -6.141 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.681 -4.502 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.290 -7.608 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.075 -7.615 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.657 -7.997 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.215 -5.490 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.471 -5.158 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.075 -6.821 2.384 1.00 0.00 H new ATOM 1337 N ASP A 87 0.924 -6.994 7.831 1.00 0.00 N ATOM 1338 CA ASP A 87 2.157 -7.449 8.441 1.00 0.00 C ATOM 1339 C ASP A 87 2.872 -8.360 7.454 1.00 0.00 C ATOM 1340 O ASP A 87 2.247 -9.197 6.804 1.00 0.00 O ATOM 1341 CB ASP A 87 1.902 -8.167 9.777 1.00 0.00 C ATOM 1342 CG ASP A 87 1.634 -9.649 9.628 1.00 0.00 C ATOM 1343 OD1 ASP A 87 0.471 -10.034 9.420 1.00 0.00 O ATOM 1344 OD2 ASP A 87 2.594 -10.434 9.740 1.00 0.00 O ATOM 0 H ASP A 87 0.116 -7.594 7.995 1.00 0.00 H new ATOM 0 HA ASP A 87 2.784 -6.588 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.766 -8.026 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.051 -7.701 10.274 1.00 0.00 H new ATOM 1349 N MET A 88 4.171 -8.180 7.321 1.00 0.00 N ATOM 1350 CA MET A 88 4.938 -8.908 6.320 1.00 0.00 C ATOM 1351 C MET A 88 5.579 -10.136 6.948 1.00 0.00 C ATOM 1352 O MET A 88 6.579 -10.660 6.456 1.00 0.00 O ATOM 1353 CB MET A 88 6.000 -7.992 5.713 1.00 0.00 C ATOM 1354 CG MET A 88 5.429 -6.718 5.109 1.00 0.00 C ATOM 1355 SD MET A 88 4.784 -6.940 3.442 1.00 0.00 S ATOM 1356 CE MET A 88 6.308 -6.962 2.502 1.00 0.00 C ATOM 0 H MET A 88 4.721 -7.537 7.891 1.00 0.00 H new ATOM 0 HA MET A 88 4.271 -9.238 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.723 -7.727 6.484 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.542 -8.539 4.942 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.631 -6.346 5.752 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.206 -5.954 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.198 -7.628 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.534 -5.955 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.121 -7.317 3.135 1.00 0.00 H new ATOM 1366 N GLU A 89 4.978 -10.591 8.033 1.00 0.00 N ATOM 1367 CA GLU A 89 5.435 -11.774 8.734 1.00 0.00 C ATOM 1368 C GLU A 89 4.498 -12.940 8.451 1.00 0.00 C ATOM 1369 O GLU A 89 4.940 -14.050 8.150 1.00 0.00 O ATOM 1370 CB GLU A 89 5.495 -11.490 10.236 1.00 0.00 C ATOM 1371 CG GLU A 89 6.552 -10.468 10.619 1.00 0.00 C ATOM 1372 CD GLU A 89 7.948 -11.048 10.558 1.00 0.00 C ATOM 1373 OE1 GLU A 89 8.455 -11.290 9.443 1.00 0.00 O ATOM 1374 OE2 GLU A 89 8.542 -11.278 11.632 1.00 0.00 O ATOM 0 H GLU A 89 4.159 -10.150 8.452 1.00 0.00 H new ATOM 0 HA GLU A 89 6.433 -12.038 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.520 -11.135 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.693 -12.422 10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.486 -9.610 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.355 -10.102 11.627 1.00 0.00 H new ATOM 1381 N LYS A 90 3.200 -12.673 8.532 1.00 0.00 N ATOM 1382 CA LYS A 90 2.187 -13.694 8.316 1.00 0.00 C ATOM 1383 C LYS A 90 1.639 -13.637 6.884 1.00 0.00 C ATOM 1384 O LYS A 90 0.721 -14.382 6.538 1.00 0.00 O ATOM 1385 CB LYS A 90 1.038 -13.520 9.322 1.00 0.00 C ATOM 1386 CG LYS A 90 0.056 -14.684 9.322 1.00 0.00 C ATOM 1387 CD LYS A 90 -1.196 -14.387 10.131 1.00 0.00 C ATOM 1388 CE LYS A 90 -2.287 -15.397 9.812 1.00 0.00 C ATOM 1389 NZ LYS A 90 -3.532 -15.155 10.587 1.00 0.00 N ATOM 0 H LYS A 90 2.824 -11.750 8.748 1.00 0.00 H new ATOM 0 HA LYS A 90 2.653 -14.668 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.455 -13.405 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.500 -12.600 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.225 -14.918 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.546 -15.569 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.964 -14.417 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.549 -13.380 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.513 -15.358 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.921 -16.402 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.243 -15.870 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.325 -15.218 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.899 -14.207 10.367 1.00 0.00 H new ATOM 1403 N VAL A 91 2.205 -12.755 6.057 1.00 0.00 N ATOM 1404 CA VAL A 91 1.752 -12.597 4.669 1.00 0.00 C ATOM 1405 C VAL A 91 1.625 -13.927 3.953 1.00 0.00 C ATOM 1406 O VAL A 91 2.623 -14.592 3.661 1.00 0.00 O ATOM 1407 CB VAL A 91 2.681 -11.702 3.825 1.00 0.00 C ATOM 1408 CG1 VAL A 91 2.200 -10.267 3.837 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.121 -11.802 4.303 1.00 0.00 C ATOM 0 H VAL A 91 2.975 -12.140 6.321 1.00 0.00 H new ATOM 0 HA VAL A 91 0.776 -12.120 4.757 1.00 0.00 H new ATOM 0 HB VAL A 91 2.650 -12.059 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.870 -9.653 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.193 -10.217 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.190 -9.895 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.753 -11.160 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.182 -11.483 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.461 -12.834 4.219 1.00 0.00 H new ATOM 1419 N ASP A 92 0.393 -14.315 3.675 1.00 0.00 N ATOM 1420 CA ASP A 92 0.154 -15.509 2.890 1.00 0.00 C ATOM 1421 C ASP A 92 0.157 -15.139 1.419 1.00 0.00 C ATOM 1422 O ASP A 92 -0.832 -14.623 0.893 1.00 0.00 O ATOM 1423 CB ASP A 92 -1.166 -16.179 3.271 1.00 0.00 C ATOM 1424 CG ASP A 92 -1.327 -17.536 2.613 1.00 0.00 C ATOM 1425 OD1 ASP A 92 -1.832 -17.601 1.478 1.00 0.00 O ATOM 1426 OD2 ASP A 92 -0.948 -18.550 3.234 1.00 0.00 O ATOM 0 H ASP A 92 -0.449 -13.825 3.978 1.00 0.00 H new ATOM 0 HA ASP A 92 0.948 -16.227 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.215 -16.293 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.996 -15.535 2.981 1.00 0.00 H new ATOM 1431 N PHE A 93 1.285 -15.372 0.768 1.00 0.00 N ATOM 1432 CA PHE A 93 1.465 -14.970 -0.619 1.00 0.00 C ATOM 1433 C PHE A 93 0.639 -15.840 -1.561 1.00 0.00 C ATOM 1434 O PHE A 93 0.431 -15.486 -2.718 1.00 0.00 O ATOM 1435 CB PHE A 93 2.945 -15.025 -1.010 1.00 0.00 C ATOM 1436 CG PHE A 93 3.758 -13.881 -0.474 1.00 0.00 C ATOM 1437 CD1 PHE A 93 3.734 -12.647 -1.106 1.00 0.00 C ATOM 1438 CD2 PHE A 93 4.545 -14.037 0.654 1.00 0.00 C ATOM 1439 CE1 PHE A 93 4.481 -11.591 -0.621 1.00 0.00 C ATOM 1440 CE2 PHE A 93 5.295 -12.984 1.143 1.00 0.00 C ATOM 1441 CZ PHE A 93 5.262 -11.759 0.506 1.00 0.00 C ATOM 0 H PHE A 93 2.093 -15.839 1.179 1.00 0.00 H new ATOM 0 HA PHE A 93 1.114 -13.942 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.371 -15.961 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.024 -15.036 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.125 -12.510 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.573 -14.992 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.454 -10.635 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.907 -13.119 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.845 -10.934 0.888 1.00 0.00 H new ATOM 1451 N LYS A 94 0.164 -16.976 -1.061 1.00 0.00 N ATOM 1452 CA LYS A 94 -0.666 -17.860 -1.867 1.00 0.00 C ATOM 1453 C LYS A 94 -2.053 -17.246 -2.024 1.00 0.00 C ATOM 1454 O LYS A 94 -2.616 -17.224 -3.117 1.00 0.00 O ATOM 1455 CB LYS A 94 -0.744 -19.260 -1.233 1.00 0.00 C ATOM 1456 CG LYS A 94 -1.242 -20.347 -2.182 1.00 0.00 C ATOM 1457 CD LYS A 94 -2.747 -20.283 -2.393 1.00 0.00 C ATOM 1458 CE LYS A 94 -3.182 -21.135 -3.573 1.00 0.00 C ATOM 1459 NZ LYS A 94 -2.662 -20.608 -4.862 1.00 0.00 N ATOM 0 H LYS A 94 0.338 -17.303 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.219 -17.974 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.245 -19.537 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.404 -19.219 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.738 -20.246 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.974 -21.325 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.256 -20.622 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.048 -19.249 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.831 -22.157 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.271 -21.174 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.241 -20.973 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.704 -19.569 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.676 -20.913 -4.989 1.00 0.00 H new ATOM 1473 N ALA A 95 -2.595 -16.740 -0.926 1.00 0.00 N ATOM 1474 CA ALA A 95 -3.855 -16.015 -0.963 1.00 0.00 C ATOM 1475 C ALA A 95 -3.673 -14.691 -1.692 1.00 0.00 C ATOM 1476 O ALA A 95 -4.533 -14.273 -2.468 1.00 0.00 O ATOM 1477 CB ALA A 95 -4.376 -15.780 0.446 1.00 0.00 C ATOM 0 H ALA A 95 -2.181 -16.819 0.003 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.588 -16.614 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.319 -15.236 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.534 -16.739 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.649 -15.196 1.010 1.00 0.00 H new ATOM 1483 N LEU A 96 -2.533 -14.048 -1.451 1.00 0.00 N ATOM 1484 CA LEU A 96 -2.209 -12.778 -2.094 1.00 0.00 C ATOM 1485 C LEU A 96 -2.061 -12.940 -3.604 1.00 0.00 C ATOM 1486 O LEU A 96 -2.222 -11.976 -4.349 1.00 0.00 O ATOM 1487 CB LEU A 96 -0.919 -12.192 -1.516 1.00 0.00 C ATOM 1488 CG LEU A 96 -1.083 -10.901 -0.708 1.00 0.00 C ATOM 1489 CD1 LEU A 96 0.273 -10.378 -0.258 1.00 0.00 C ATOM 1490 CD2 LEU A 96 -1.815 -9.845 -1.525 1.00 0.00 C ATOM 0 H LEU A 96 -1.815 -14.388 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.035 -12.095 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.454 -12.943 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.228 -12.000 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.679 -11.125 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.137 -9.460 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.763 -11.126 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.892 -10.172 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.921 -8.936 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.246 -9.625 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.802 -10.217 -1.799 1.00 0.00 H new ATOM 1502 N GLN A 97 -1.766 -14.158 -4.044 1.00 0.00 N ATOM 1503 CA GLN A 97 -1.557 -14.457 -5.462 1.00 0.00 C ATOM 1504 C GLN A 97 -2.709 -13.937 -6.323 1.00 0.00 C ATOM 1505 O GLN A 97 -2.493 -13.392 -7.407 1.00 0.00 O ATOM 1506 CB GLN A 97 -1.402 -15.966 -5.659 1.00 0.00 C ATOM 1507 CG GLN A 97 -1.198 -16.384 -7.107 1.00 0.00 C ATOM 1508 CD GLN A 97 -1.188 -17.889 -7.287 1.00 0.00 C ATOM 1509 OE1 GLN A 97 -0.782 -18.635 -6.395 1.00 0.00 O ATOM 1510 NE2 GLN A 97 -1.643 -18.348 -8.440 1.00 0.00 N ATOM 0 H GLN A 97 -1.664 -14.967 -3.431 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.646 -13.950 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.554 -16.314 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.289 -16.466 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.991 -15.954 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.256 -15.973 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.971 -17.698 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.666 -19.353 -8.616 1.00 0.00 H new ATOM 1519 N GLY A 98 -3.931 -14.089 -5.829 1.00 0.00 N ATOM 1520 CA GLY A 98 -5.092 -13.668 -6.589 1.00 0.00 C ATOM 1521 C GLY A 98 -5.550 -12.264 -6.241 1.00 0.00 C ATOM 1522 O GLY A 98 -6.563 -11.789 -6.758 1.00 0.00 O ATOM 0 H GLY A 98 -4.139 -14.496 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.860 -13.715 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.910 -14.366 -6.410 1.00 0.00 H new ATOM 1526 N ILE A 99 -4.802 -11.592 -5.371 1.00 0.00 N ATOM 1527 CA ILE A 99 -5.182 -10.262 -4.898 1.00 0.00 C ATOM 1528 C ILE A 99 -4.031 -9.269 -5.093 1.00 0.00 C ATOM 1529 O ILE A 99 -4.081 -8.131 -4.626 1.00 0.00 O ATOM 1530 CB ILE A 99 -5.582 -10.301 -3.400 1.00 0.00 C ATOM 1531 CG1 ILE A 99 -6.418 -11.550 -3.108 1.00 0.00 C ATOM 1532 CG2 ILE A 99 -6.371 -9.052 -3.019 1.00 0.00 C ATOM 1533 CD1 ILE A 99 -6.690 -11.774 -1.638 1.00 0.00 C ATOM 0 H ILE A 99 -3.929 -11.945 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.040 -9.935 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.670 -10.333 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.369 -11.471 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.902 -12.423 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.641 -9.100 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.760 -8.167 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.276 -8.995 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.287 -12.677 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.745 -11.887 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.234 -10.920 -1.234 1.00 0.00 H new ATOM 1648 N ASP A 108 7.086 -10.844 -9.334 1.00 0.00 N ATOM 1649 CA ASP A 108 7.863 -10.377 -8.197 1.00 0.00 C ATOM 1650 C ASP A 108 7.176 -10.795 -6.909 1.00 0.00 C ATOM 1651 O ASP A 108 7.820 -11.262 -5.974 1.00 0.00 O ATOM 1652 CB ASP A 108 8.025 -8.855 -8.243 1.00 0.00 C ATOM 1653 CG ASP A 108 9.464 -8.434 -8.457 1.00 0.00 C ATOM 1654 OD1 ASP A 108 9.934 -8.465 -9.617 1.00 0.00 O ATOM 1655 OD2 ASP A 108 10.133 -8.066 -7.473 1.00 0.00 O ATOM 0 HA ASP A 108 8.856 -10.825 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.408 -8.451 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.658 -8.425 -7.311 1.00 0.00 H new ATOM 1660 N ALA A 109 5.855 -10.649 -6.884 1.00 0.00 N ATOM 1661 CA ALA A 109 5.057 -11.066 -5.738 1.00 0.00 C ATOM 1662 C ALA A 109 5.096 -12.584 -5.586 1.00 0.00 C ATOM 1663 O ALA A 109 5.141 -13.107 -4.472 1.00 0.00 O ATOM 1664 CB ALA A 109 3.623 -10.578 -5.887 1.00 0.00 C ATOM 0 H ALA A 109 5.314 -10.244 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 109 5.480 -10.621 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.039 -10.897 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.614 -9.490 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.188 -10.997 -6.794 1.00 0.00 H new ATOM 1670 N LYS A 110 5.094 -13.281 -6.719 1.00 0.00 N ATOM 1671 CA LYS A 110 5.194 -14.740 -6.734 1.00 0.00 C ATOM 1672 C LYS A 110 6.502 -15.197 -6.097 1.00 0.00 C ATOM 1673 O LYS A 110 6.571 -16.254 -5.467 1.00 0.00 O ATOM 1674 CB LYS A 110 5.136 -15.264 -8.171 1.00 0.00 C ATOM 1675 CG LYS A 110 3.831 -14.979 -8.895 1.00 0.00 C ATOM 1676 CD LYS A 110 3.950 -15.313 -10.374 1.00 0.00 C ATOM 1677 CE LYS A 110 2.649 -15.076 -11.117 1.00 0.00 C ATOM 1678 NZ LYS A 110 2.801 -15.298 -12.579 1.00 0.00 N ATOM 0 H LYS A 110 5.024 -12.857 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 110 4.355 -15.137 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.955 -14.822 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.302 -16.341 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.027 -15.564 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.565 -13.929 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.738 -14.706 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.247 -16.355 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.880 -15.743 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.308 -14.056 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.891 -15.126 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.517 -14.645 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.102 -16.278 -12.752 1.00 0.00 H new ATOM 1692 N LYS A 111 7.537 -14.385 -6.260 1.00 0.00 N ATOM 1693 CA LYS A 111 8.864 -14.725 -5.776 1.00 0.00 C ATOM 1694 C LYS A 111 9.085 -14.160 -4.370 1.00 0.00 C ATOM 1695 O LYS A 111 10.192 -14.216 -3.825 1.00 0.00 O ATOM 1696 CB LYS A 111 9.919 -14.185 -6.753 1.00 0.00 C ATOM 1697 CG LYS A 111 11.327 -14.705 -6.500 1.00 0.00 C ATOM 1698 CD LYS A 111 11.374 -16.222 -6.542 1.00 0.00 C ATOM 1699 CE LYS A 111 12.752 -16.745 -6.184 1.00 0.00 C ATOM 1700 NZ LYS A 111 12.784 -18.229 -6.142 1.00 0.00 N ATOM 0 H LYS A 111 7.480 -13.480 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 111 8.957 -15.809 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.624 -14.446 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.929 -13.097 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.007 -14.298 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 111 11.676 -14.356 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 111 10.638 -16.629 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.100 -16.568 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.478 -16.386 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.051 -16.347 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.742 -18.549 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.109 -18.571 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.523 -18.608 -7.074 1.00 0.00 H new ATOM 1714 N GLY A 112 8.021 -13.636 -3.776 1.00 0.00 N ATOM 1715 CA GLY A 112 8.125 -13.041 -2.459 1.00 0.00 C ATOM 1716 C GLY A 112 8.623 -11.618 -2.534 1.00 0.00 C ATOM 1717 O GLY A 112 9.259 -11.236 -3.510 1.00 0.00 O ATOM 0 H GLY A 112 7.086 -13.613 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.151 -13.062 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.802 -13.633 -1.843 1.00 0.00 H new ATOM 1721 N ILE A 113 8.339 -10.827 -1.513 1.00 0.00 N ATOM 1722 CA ILE A 113 8.725 -9.426 -1.523 1.00 0.00 C ATOM 1723 C ILE A 113 9.838 -9.153 -0.516 1.00 0.00 C ATOM 1724 O ILE A 113 9.751 -9.541 0.652 1.00 0.00 O ATOM 1725 CB ILE A 113 7.516 -8.511 -1.238 1.00 0.00 C ATOM 1726 CG1 ILE A 113 6.474 -8.639 -2.361 1.00 0.00 C ATOM 1727 CG2 ILE A 113 7.955 -7.062 -1.068 1.00 0.00 C ATOM 1728 CD1 ILE A 113 7.018 -8.350 -3.753 1.00 0.00 C ATOM 0 H ILE A 113 7.846 -11.128 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 113 9.100 -9.201 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 113 7.057 -8.831 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.063 -9.648 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.650 -7.956 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.083 -6.439 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.653 -6.989 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.444 -6.720 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.219 -8.462 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.403 -7.331 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.822 -9.050 -3.982 1.00 0.00 H new ATOM 1740 N THR A 114 10.884 -8.491 -0.982 1.00 0.00 N ATOM 1741 CA THR A 114 12.031 -8.158 -0.150 1.00 0.00 C ATOM 1742 C THR A 114 12.323 -6.669 -0.252 1.00 0.00 C ATOM 1743 O THR A 114 11.730 -5.976 -1.083 1.00 0.00 O ATOM 1744 CB THR A 114 13.286 -8.948 -0.575 1.00 0.00 C ATOM 1745 OG1 THR A 114 13.619 -8.638 -1.936 1.00 0.00 O ATOM 1746 CG2 THR A 114 13.067 -10.446 -0.438 1.00 0.00 C ATOM 0 H THR A 114 10.963 -8.169 -1.947 1.00 0.00 H new ATOM 0 HA THR A 114 11.786 -8.426 0.878 1.00 0.00 H new ATOM 0 HB THR A 114 14.105 -8.658 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 114 13.055 -9.166 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.969 -10.975 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.841 -10.687 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 114 12.234 -10.751 -1.071 1.00 0.00 H new ATOM 1754 N MET A 115 13.238 -6.170 0.571 1.00 0.00 N ATOM 1755 CA MET A 115 13.610 -4.762 0.508 1.00 0.00 C ATOM 1756 C MET A 115 14.441 -4.497 -0.741 1.00 0.00 C ATOM 1757 O MET A 115 14.356 -3.428 -1.342 1.00 0.00 O ATOM 1758 CB MET A 115 14.384 -4.334 1.757 1.00 0.00 C ATOM 1759 CG MET A 115 14.662 -2.841 1.797 1.00 0.00 C ATOM 1760 SD MET A 115 13.144 -1.870 1.727 1.00 0.00 S ATOM 1761 CE MET A 115 13.806 -0.221 1.521 1.00 0.00 C ATOM 0 H MET A 115 13.731 -6.712 1.281 1.00 0.00 H new ATOM 0 HA MET A 115 12.694 -4.173 0.463 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.817 -4.617 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 115 15.329 -4.876 1.796 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.206 -2.598 2.709 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.305 -2.569 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 115 13.239 0.478 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.852 -0.208 1.828 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.732 0.073 0.474 1.00 0.00 H new ATOM 1771 N ALA A 116 15.230 -5.492 -1.134 1.00 0.00 N ATOM 1772 CA ALA A 116 16.041 -5.399 -2.340 1.00 0.00 C ATOM 1773 C ALA A 116 15.156 -5.156 -3.555 1.00 0.00 C ATOM 1774 O ALA A 116 15.479 -4.346 -4.432 1.00 0.00 O ATOM 1775 CB ALA A 116 16.856 -6.669 -2.525 1.00 0.00 C ATOM 0 H ALA A 116 15.324 -6.375 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 116 16.726 -4.558 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.458 -6.587 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.511 -6.809 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.184 -7.523 -2.613 1.00 0.00 H new ATOM 1781 N GLN A 117 14.030 -5.861 -3.585 1.00 0.00 N ATOM 1782 CA GLN A 117 13.037 -5.685 -4.631 1.00 0.00 C ATOM 1783 C GLN A 117 12.442 -4.294 -4.575 1.00 0.00 C ATOM 1784 O GLN A 117 12.602 -3.539 -5.505 1.00 0.00 O ATOM 1785 CB GLN A 117 11.944 -6.738 -4.506 1.00 0.00 C ATOM 1786 CG GLN A 117 12.367 -8.093 -5.034 1.00 0.00 C ATOM 1787 CD GLN A 117 11.485 -9.209 -4.529 1.00 0.00 C ATOM 1788 OE1 GLN A 117 11.769 -9.813 -3.496 1.00 0.00 O ATOM 1789 NE2 GLN A 117 10.411 -9.485 -5.242 1.00 0.00 N ATOM 0 H GLN A 117 13.784 -6.565 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 117 13.529 -5.807 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 117 11.658 -6.835 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.060 -6.403 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.342 -8.079 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 117 13.399 -8.288 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.214 -8.958 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.777 -10.226 -4.943 1.00 0.00 H new ATOM 1798 N MET A 118 11.779 -3.958 -3.479 1.00 0.00 N ATOM 1799 CA MET A 118 11.147 -2.645 -3.322 1.00 0.00 C ATOM 1800 C MET A 118 12.071 -1.487 -3.712 1.00 0.00 C ATOM 1801 O MET A 118 11.615 -0.505 -4.282 1.00 0.00 O ATOM 1802 CB MET A 118 10.632 -2.473 -1.893 1.00 0.00 C ATOM 1803 CG MET A 118 9.135 -2.689 -1.784 1.00 0.00 C ATOM 1804 SD MET A 118 8.613 -4.223 -2.571 1.00 0.00 S ATOM 1805 CE MET A 118 6.836 -4.085 -2.451 1.00 0.00 C ATOM 0 H MET A 118 11.661 -4.577 -2.677 1.00 0.00 H new ATOM 0 HA MET A 118 10.305 -2.612 -4.014 1.00 0.00 H new ATOM 0 HB2 MET A 118 11.146 -3.177 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.878 -1.471 -1.540 1.00 0.00 H new ATOM 0 HG2 MET A 118 8.847 -2.705 -0.733 1.00 0.00 H new ATOM 0 HG3 MET A 118 8.614 -1.850 -2.245 1.00 0.00 H new ATOM 0 HE1 MET A 118 6.386 -5.072 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 118 6.568 -3.667 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 118 6.468 -3.431 -3.242 1.00 0.00 H new ATOM 1815 N GLU A 119 13.361 -1.604 -3.429 1.00 0.00 N ATOM 1816 CA GLU A 119 14.322 -0.595 -3.867 1.00 0.00 C ATOM 1817 C GLU A 119 14.367 -0.492 -5.395 1.00 0.00 C ATOM 1818 O GLU A 119 13.981 0.525 -5.969 1.00 0.00 O ATOM 1819 CB GLU A 119 15.715 -0.912 -3.322 1.00 0.00 C ATOM 1820 CG GLU A 119 15.908 -0.527 -1.865 1.00 0.00 C ATOM 1821 CD GLU A 119 15.966 0.974 -1.660 1.00 0.00 C ATOM 1822 OE1 GLU A 119 16.948 1.601 -2.114 1.00 0.00 O ATOM 1823 OE2 GLU A 119 15.044 1.538 -1.031 1.00 0.00 O ATOM 0 H GLU A 119 13.766 -2.379 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 119 13.995 0.367 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.904 -1.980 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.458 -0.392 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.091 -0.939 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.829 -0.976 -1.493 1.00 0.00 H new ATOM 1830 N LEU A 120 14.821 -1.557 -6.050 1.00 0.00 N ATOM 1831 CA LEU A 120 14.982 -1.559 -7.506 1.00 0.00 C ATOM 1832 C LEU A 120 13.641 -1.361 -8.214 1.00 0.00 C ATOM 1833 O LEU A 120 13.488 -0.492 -9.066 1.00 0.00 O ATOM 1834 CB LEU A 120 15.599 -2.885 -7.956 1.00 0.00 C ATOM 1835 CG LEU A 120 16.983 -3.191 -7.385 1.00 0.00 C ATOM 1836 CD1 LEU A 120 17.440 -4.574 -7.820 1.00 0.00 C ATOM 1837 CD2 LEU A 120 17.987 -2.137 -7.826 1.00 0.00 C ATOM 0 H LEU A 120 15.085 -2.432 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 120 15.639 -0.731 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 120 14.923 -3.694 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 120 15.665 -2.885 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 120 16.920 -3.172 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.427 -4.778 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 120 16.733 -5.321 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 120 17.487 -4.616 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 120 18.967 -2.371 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 120 18.048 -2.126 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 120 17.666 -1.158 -7.470 1.00 0.00 H new ATOM 1849 N VAL A 121 12.693 -2.185 -7.821 1.00 0.00 N ATOM 1850 CA VAL A 121 11.352 -2.229 -8.384 1.00 0.00 C ATOM 1851 C VAL A 121 10.638 -0.876 -8.329 1.00 0.00 C ATOM 1852 O VAL A 121 10.016 -0.468 -9.307 1.00 0.00 O ATOM 1853 CB VAL A 121 10.528 -3.312 -7.642 1.00 0.00 C ATOM 1854 CG1 VAL A 121 9.038 -3.139 -7.836 1.00 0.00 C ATOM 1855 CG2 VAL A 121 10.953 -4.696 -8.103 1.00 0.00 C ATOM 0 H VAL A 121 12.835 -2.867 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 121 11.442 -2.481 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 121 10.731 -3.198 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.507 -3.923 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.732 -2.165 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.799 -3.204 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.369 -5.450 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.784 -4.790 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.012 -4.842 -7.888 1.00 0.00 H new ATOM 1865 N MET A 122 10.726 -0.174 -7.209 1.00 0.00 N ATOM 1866 CA MET A 122 10.069 1.126 -7.086 1.00 0.00 C ATOM 1867 C MET A 122 10.745 2.166 -7.968 1.00 0.00 C ATOM 1868 O MET A 122 10.079 3.010 -8.570 1.00 0.00 O ATOM 1869 CB MET A 122 10.034 1.586 -5.630 1.00 0.00 C ATOM 1870 CG MET A 122 8.763 1.166 -4.905 1.00 0.00 C ATOM 1871 SD MET A 122 8.417 -0.600 -5.063 1.00 0.00 S ATOM 1872 CE MET A 122 6.689 -0.655 -4.601 1.00 0.00 C ATOM 0 H MET A 122 11.238 -0.475 -6.380 1.00 0.00 H new ATOM 0 HA MET A 122 9.040 1.014 -7.428 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.897 1.178 -5.105 1.00 0.00 H new ATOM 0 HB3 MET A 122 10.124 2.672 -5.595 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.852 1.421 -3.849 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.920 1.733 -5.300 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.585 -1.162 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.302 0.361 -4.519 1.00 0.00 H new ATOM 0 HE3 MET A 122 6.126 -1.198 -5.361 1.00 0.00 H new ATOM 1882 N LYS A 123 12.060 2.082 -8.067 1.00 0.00 N ATOM 1883 CA LYS A 123 12.817 2.969 -8.942 1.00 0.00 C ATOM 1884 C LYS A 123 12.583 2.592 -10.407 1.00 0.00 C ATOM 1885 O LYS A 123 12.748 3.411 -11.310 1.00 0.00 O ATOM 1886 CB LYS A 123 14.303 2.904 -8.585 1.00 0.00 C ATOM 1887 CG LYS A 123 14.584 3.363 -7.162 1.00 0.00 C ATOM 1888 CD LYS A 123 15.977 2.974 -6.691 1.00 0.00 C ATOM 1889 CE LYS A 123 17.066 3.732 -7.427 1.00 0.00 C ATOM 1890 NZ LYS A 123 18.406 3.467 -6.839 1.00 0.00 N ATOM 0 H LYS A 123 12.629 1.409 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 123 12.475 3.994 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.658 1.881 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 123 14.867 3.524 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.473 4.446 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.842 2.930 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.063 3.166 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.121 1.903 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 123 17.065 3.443 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.856 4.801 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.128 4.000 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.413 3.765 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.616 2.450 -6.897 1.00 0.00 H new ATOM 1904 N ALA A 124 12.190 1.342 -10.624 1.00 0.00 N ATOM 1905 CA ALA A 124 11.816 0.861 -11.946 1.00 0.00 C ATOM 1906 C ALA A 124 10.404 1.319 -12.298 1.00 0.00 C ATOM 1907 O ALA A 124 10.148 1.796 -13.403 1.00 0.00 O ATOM 1908 CB ALA A 124 11.903 -0.659 -11.985 1.00 0.00 C ATOM 0 H ALA A 124 12.122 0.637 -9.890 1.00 0.00 H new ATOM 0 HA ALA A 124 12.506 1.275 -12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 124 11.622 -1.014 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 124 12.924 -0.971 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.226 -1.081 -11.243 1.00 0.00 H new ATOM 1914 N ALA A 125 9.496 1.176 -11.338 1.00 0.00 N ATOM 1915 CA ALA A 125 8.098 1.556 -11.516 1.00 0.00 C ATOM 1916 C ALA A 125 7.952 3.065 -11.652 1.00 0.00 C ATOM 1917 O ALA A 125 6.993 3.556 -12.247 1.00 0.00 O ATOM 1918 CB ALA A 125 7.272 1.058 -10.338 1.00 0.00 C ATOM 0 H ALA A 125 9.707 0.794 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 125 7.734 1.096 -12.435 1.00 0.00 H new ATOM 0 HB1 ALA A 125 6.230 1.345 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.344 -0.028 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.650 1.500 -9.416 1.00 0.00 H new ATOM 1924 N GLY A 126 8.908 3.791 -11.097 1.00 0.00 N ATOM 1925 CA GLY A 126 8.844 5.235 -11.122 1.00 0.00 C ATOM 1926 C GLY A 126 8.071 5.770 -9.941 1.00 0.00 C ATOM 1927 O GLY A 126 7.462 6.837 -10.014 1.00 0.00 O ATOM 0 H GLY A 126 9.728 3.405 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.853 5.646 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.372 5.564 -12.048 1.00 0.00 H new ATOM 1931 N PHE A 127 8.089 5.018 -8.850 1.00 0.00 N ATOM 1932 CA PHE A 127 7.406 5.427 -7.639 1.00 0.00 C ATOM 1933 C PHE A 127 8.190 6.528 -6.943 1.00 0.00 C ATOM 1934 O PHE A 127 9.417 6.599 -7.049 1.00 0.00 O ATOM 1935 CB PHE A 127 7.191 4.238 -6.700 1.00 0.00 C ATOM 1936 CG PHE A 127 6.091 3.309 -7.142 1.00 0.00 C ATOM 1937 CD1 PHE A 127 4.923 3.810 -7.695 1.00 0.00 C ATOM 1938 CD2 PHE A 127 6.219 1.939 -6.992 1.00 0.00 C ATOM 1939 CE1 PHE A 127 3.907 2.962 -8.093 1.00 0.00 C ATOM 1940 CE2 PHE A 127 5.204 1.086 -7.386 1.00 0.00 C ATOM 1941 CZ PHE A 127 4.047 1.599 -7.937 1.00 0.00 C ATOM 0 H PHE A 127 8.570 4.121 -8.782 1.00 0.00 H new ATOM 0 HA PHE A 127 6.425 5.815 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 127 8.121 3.675 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.960 4.611 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.805 4.877 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.122 1.531 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.004 3.366 -8.526 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.317 0.019 -7.263 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.253 0.935 -8.245 1.00 0.00 H new ATOM 1951 N LYS A 128 7.474 7.389 -6.243 1.00 0.00 N ATOM 1952 CA LYS A 128 8.078 8.555 -5.632 1.00 0.00 C ATOM 1953 C LYS A 128 8.360 8.279 -4.161 1.00 0.00 C ATOM 1954 O LYS A 128 7.474 8.419 -3.315 1.00 0.00 O ATOM 1955 CB LYS A 128 7.137 9.756 -5.785 1.00 0.00 C ATOM 1956 CG LYS A 128 6.433 9.791 -7.136 1.00 0.00 C ATOM 1957 CD LYS A 128 5.449 10.944 -7.237 1.00 0.00 C ATOM 1958 CE LYS A 128 4.482 10.751 -8.398 1.00 0.00 C ATOM 1959 NZ LYS A 128 5.179 10.598 -9.706 1.00 0.00 N ATOM 0 H LYS A 128 6.470 7.301 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 128 9.022 8.782 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.389 9.728 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.707 10.676 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.176 9.878 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.906 8.850 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.889 11.029 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.994 11.879 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 128 3.869 9.869 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.806 11.605 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.479 10.606 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.847 11.384 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 5.698 9.697 -9.719 1.00 0.00 H new ATOM 1973 N GLU A 129 9.588 7.864 -3.873 1.00 0.00 N ATOM 1974 CA GLU A 129 9.991 7.534 -2.513 1.00 0.00 C ATOM 1975 C GLU A 129 10.051 8.792 -1.654 1.00 0.00 C ATOM 1976 O GLU A 129 10.753 9.750 -1.984 1.00 0.00 O ATOM 1977 CB GLU A 129 11.356 6.840 -2.507 1.00 0.00 C ATOM 1978 CG GLU A 129 11.430 5.598 -3.388 1.00 0.00 C ATOM 1979 CD GLU A 129 10.422 4.535 -2.999 1.00 0.00 C ATOM 1980 OE1 GLU A 129 10.605 3.891 -1.940 1.00 0.00 O ATOM 1981 OE2 GLU A 129 9.459 4.334 -3.760 1.00 0.00 O ATOM 0 H GLU A 129 10.325 7.748 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 129 9.248 6.854 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.114 7.551 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.604 6.561 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.264 5.885 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.434 5.177 -3.330 1.00 0.00 H new ATOM 1988 N VAL A 130 9.318 8.782 -0.552 1.00 0.00 N ATOM 1989 CA VAL A 130 9.270 9.917 0.356 1.00 0.00 C ATOM 1990 C VAL A 130 10.045 9.605 1.631 1.00 0.00 C ATOM 1991 O VAL A 130 9.496 9.060 2.592 1.00 0.00 O ATOM 1992 CB VAL A 130 7.816 10.286 0.736 1.00 0.00 C ATOM 1993 CG1 VAL A 130 7.770 11.609 1.488 1.00 0.00 C ATOM 1994 CG2 VAL A 130 6.926 10.327 -0.498 1.00 0.00 C ATOM 0 H VAL A 130 8.742 7.991 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 130 9.721 10.763 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 130 7.433 9.510 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 130 6.737 11.846 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 130 8.361 11.530 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 130 8.179 12.400 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.909 10.588 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.306 11.073 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.925 9.349 -0.978 1.00 0.00 H new ATOM 2004 N LYS A 131 11.328 9.925 1.634 1.00 0.00 N ATOM 2005 CA LYS A 131 12.148 9.692 2.810 1.00 0.00 C ATOM 2006 C LYS A 131 11.944 10.806 3.832 1.00 0.00 C ATOM 2007 O LYS A 131 12.444 11.923 3.676 1.00 0.00 O ATOM 2008 CB LYS A 131 13.631 9.562 2.441 1.00 0.00 C ATOM 2009 CG LYS A 131 14.161 10.679 1.551 1.00 0.00 C ATOM 2010 CD LYS A 131 15.683 10.728 1.572 1.00 0.00 C ATOM 2011 CE LYS A 131 16.300 9.411 1.126 1.00 0.00 C ATOM 2012 NZ LYS A 131 17.757 9.364 1.406 1.00 0.00 N ATOM 0 H LYS A 131 11.820 10.343 0.844 1.00 0.00 H new ATOM 0 HA LYS A 131 11.833 8.748 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 131 14.220 9.535 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.784 8.608 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.814 10.528 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 131 13.760 11.635 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 131 16.029 11.530 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 131 16.025 10.966 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 131 15.805 8.586 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 131 16.130 9.273 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 18.142 8.452 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 18.233 10.137 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 17.918 9.471 2.428 1.00 0.00 H new