USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 996 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 83 ASN : amide:sc= -0.469 K(o=1.5,f=-4.4!) USER MOD Set 1.2: B 122 LYS NZ :NH3+ 149:sc= 1.97 (180deg=1.63) USER MOD Set 2.1: B 114 THR OG1 : rot 78:sc= 1.91 USER MOD Set 2.2: B 117 LYS NZ :NH3+ 178:sc= 1.98 (180deg=0.873) USER MOD Set 3.1: A 122 LYS NZ :NH3+ -166:sc= 2.25 (180deg=-0.703) USER MOD Set 3.2: B 83 ASN : amide:sc= 0.666 K(o=2.9,f=-4.8) USER MOD Set 4.1: A 123 LYS NZ :NH3+ -171:sc= 2.71 (180deg=2.54) USER MOD Set 4.2: B 82 SER OG : rot 2:sc= 1.04 USER MOD Set 5.1: A 120 ASN : amide:sc= 0.0434 K(o=0.81,f=-5.4) USER MOD Set 5.2: B 120 ASN : amide:sc= 0.765 K(o=0.81,f=-5.4!) USER MOD Set 6.1: A 114 THR OG1 : rot 78:sc= 0.525 USER MOD Set 6.2: A 117 LYS NZ :NH3+ -152:sc= 0.127 (180deg=-1.45) USER MOD Set 7.1: A 108 TYR OH : rot -159:sc= 1.21 USER MOD Set 7.2: A 112 GLN : amide:sc= -0.531 K(o=0.68,f=-1.2) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 71 CYS SG : rot 57:sc= 1.18 USER MOD Single : A 79 TYR OH : rot 80:sc=-0.00583 USER MOD Single : A 81 GLN : amide:sc= 0.85 K(o=0.85,f=-0.6) USER MOD Single : A 82 SER OG : rot -18:sc= 0.849 USER MOD Single : A 88 SER OG : rot 82:sc= 0.776 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.141 F(o=-0.76,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= 0.996 K(o=1,f=-0.88) USER MOD Single : A 100 GLN : amide:sc= 0.339 K(o=0.34,f=-0.19) USER MOD Single : A 101 SER OG : rot -71:sc= 1.23 USER MOD Single : A 103 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.24) USER MOD Single : A 107 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.38) USER MOD Single : A 111 THR OG1 : rot 81:sc= 0.981 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 TYR OH : rot -164:sc= 0.597 USER MOD Single : B 69 SER OG : rot 180:sc= 0.273 USER MOD Single : B 71 CYS SG : rot -8:sc= 0.468 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 GLN : amide:sc= 1.22 K(o=1.2,f=-0.048) USER MOD Single : B 88 SER OG : rot -73:sc= 0.937 USER MOD Single : B 96 ASN : amide:sc= 0.531 K(o=0.53,f=-0.26) USER MOD Single : B 97 GLN : amide:sc= 1.15 K(o=1.2,f=-0.79) USER MOD Single : B 100 GLN : amide:sc= -0.575 X(o=-0.58,f=-0.85) USER MOD Single : B 101 SER OG : rot 44:sc= 1.55 USER MOD Single : B 103 GLN : amide:sc= -0.0909 X(o=-0.091,f=-0.045) USER MOD Single : B 107 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.43) USER MOD Single : B 108 TYR OH : rot -149:sc= 1.24 USER MOD Single : B 111 THR OG1 : rot 74:sc= 0.952 USER MOD Single : B 112 GLN : amide:sc= -0.0787 K(o=-0.079,f=-5.1!) USER MOD Single : B 115 TYR OH : rot 165:sc= -0.163 USER MOD Single : B 121 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : B 123 LYS NZ :NH3+ 137:sc= 0.641! (180deg=-1.48!) USER MOD Single : B 125 TYR OH : rot 150:sc= -0.0281 USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -6.614 8.105 -7.324 1.00 0.00 N ATOM 115 CA LEU A 68 -7.705 7.835 -6.388 1.00 0.00 C ATOM 116 C LEU A 68 -9.076 7.970 -7.075 1.00 0.00 C ATOM 117 O LEU A 68 -9.873 8.870 -6.815 1.00 0.00 O ATOM 118 CB LEU A 68 -7.522 8.614 -5.068 1.00 0.00 C ATOM 119 CG LEU A 68 -6.831 7.767 -3.979 1.00 0.00 C ATOM 120 CD1 LEU A 68 -5.421 7.335 -4.399 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.732 8.603 -2.698 1.00 0.00 C ATOM 0 HA LEU A 68 -7.670 6.791 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.932 9.511 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.496 8.944 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.425 6.867 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.970 6.741 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.479 6.738 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.809 8.218 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.245 8.017 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.148 9.502 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.732 8.885 -2.369 1.00 0.00 H new ATOM 133 N SER A 69 -9.340 7.033 -7.983 1.00 0.00 N ATOM 134 CA SER A 69 -10.652 6.782 -8.564 1.00 0.00 C ATOM 135 C SER A 69 -11.615 6.127 -7.561 1.00 0.00 C ATOM 136 O SER A 69 -11.213 5.635 -6.507 1.00 0.00 O ATOM 137 CB SER A 69 -10.491 5.873 -9.784 1.00 0.00 C ATOM 138 OG SER A 69 -11.686 5.873 -10.550 1.00 0.00 O ATOM 0 H SER A 69 -8.620 6.408 -8.345 1.00 0.00 H new ATOM 0 HA SER A 69 -11.081 7.742 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.657 6.216 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.255 4.858 -9.463 1.00 0.00 H new ATOM 0 HG SER A 69 -11.575 5.290 -11.330 1.00 0.00 H new ATOM 144 N ALA A 70 -12.898 6.091 -7.923 1.00 0.00 N ATOM 145 CA ALA A 70 -13.988 5.590 -7.086 1.00 0.00 C ATOM 146 C ALA A 70 -13.671 4.254 -6.394 1.00 0.00 C ATOM 147 O ALA A 70 -13.865 4.115 -5.194 1.00 0.00 O ATOM 148 CB ALA A 70 -15.256 5.487 -7.936 1.00 0.00 C ATOM 0 H ALA A 70 -13.217 6.420 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.135 6.302 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.076 5.114 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.513 6.472 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.083 4.802 -8.766 1.00 0.00 H new ATOM 154 N CYS A 71 -13.181 3.265 -7.144 1.00 0.00 N ATOM 155 CA CYS A 71 -12.829 1.959 -6.596 1.00 0.00 C ATOM 156 C CYS A 71 -11.773 2.016 -5.478 1.00 0.00 C ATOM 157 O CYS A 71 -12.087 1.694 -4.337 1.00 0.00 O ATOM 158 CB CYS A 71 -12.471 0.968 -7.717 1.00 0.00 C ATOM 159 SG CYS A 71 -11.332 1.626 -8.962 1.00 0.00 S ATOM 0 H CYS A 71 -13.018 3.349 -8.147 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.722 1.580 -6.099 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.027 0.078 -7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.389 0.652 -8.213 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.237 2.021 -8.383 1.00 0.00 H new ATOM 165 N GLU A 72 -10.528 2.408 -5.747 1.00 0.00 N ATOM 166 CA GLU A 72 -9.506 2.437 -4.704 1.00 0.00 C ATOM 167 C GLU A 72 -9.866 3.396 -3.564 1.00 0.00 C ATOM 168 O GLU A 72 -9.557 3.103 -2.418 1.00 0.00 O ATOM 169 CB GLU A 72 -8.103 2.668 -5.283 1.00 0.00 C ATOM 170 CG GLU A 72 -7.923 4.031 -5.973 1.00 0.00 C ATOM 171 CD GLU A 72 -8.280 4.049 -7.439 1.00 0.00 C ATOM 172 OE1 GLU A 72 -9.119 3.241 -7.887 1.00 0.00 O ATOM 173 OE2 GLU A 72 -7.700 4.875 -8.167 1.00 0.00 O ATOM 0 H GLU A 72 -10.206 2.707 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.479 1.447 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.372 2.581 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.884 1.878 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.536 4.769 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.885 4.345 -5.862 1.00 0.00 H new ATOM 180 N VAL A 73 -10.586 4.486 -3.837 1.00 0.00 N ATOM 181 CA VAL A 73 -11.127 5.348 -2.786 1.00 0.00 C ATOM 182 C VAL A 73 -12.119 4.578 -1.896 1.00 0.00 C ATOM 183 O VAL A 73 -11.996 4.572 -0.676 1.00 0.00 O ATOM 184 CB VAL A 73 -11.735 6.611 -3.414 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.454 7.472 -2.378 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.619 7.473 -4.004 1.00 0.00 C ATOM 0 H VAL A 73 -10.809 4.793 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.321 5.669 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.444 6.280 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.869 8.355 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.259 6.896 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.747 7.780 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.049 8.370 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.924 7.758 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.087 6.907 -4.769 1.00 0.00 H new ATOM 196 N ALA A 74 -13.067 3.862 -2.502 1.00 0.00 N ATOM 197 CA ALA A 74 -14.031 3.031 -1.778 1.00 0.00 C ATOM 198 C ALA A 74 -13.333 1.951 -0.935 1.00 0.00 C ATOM 199 O ALA A 74 -13.727 1.644 0.191 1.00 0.00 O ATOM 200 CB ALA A 74 -15.016 2.417 -2.778 1.00 0.00 C ATOM 0 H ALA A 74 -13.189 3.842 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.581 3.658 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.737 1.797 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.542 3.213 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.471 1.804 -3.496 1.00 0.00 H new ATOM 206 N VAL A 75 -12.258 1.365 -1.464 1.00 0.00 N ATOM 207 CA VAL A 75 -11.459 0.427 -0.684 1.00 0.00 C ATOM 208 C VAL A 75 -10.608 1.141 0.395 1.00 0.00 C ATOM 209 O VAL A 75 -10.457 0.598 1.483 1.00 0.00 O ATOM 210 CB VAL A 75 -10.686 -0.536 -1.607 1.00 0.00 C ATOM 211 CG1 VAL A 75 -10.121 -1.705 -0.792 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.610 -1.158 -2.660 1.00 0.00 C ATOM 0 H VAL A 75 -11.926 1.522 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.127 -0.210 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.897 0.047 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.577 -2.380 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.445 -1.322 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.939 -2.245 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.036 -1.832 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.404 -1.716 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.048 -0.369 -3.271 1.00 0.00 H new ATOM 222 N LEU A 76 -10.093 2.351 0.146 1.00 0.00 N ATOM 223 CA LEU A 76 -9.398 3.214 1.121 1.00 0.00 C ATOM 224 C LEU A 76 -10.271 3.627 2.310 1.00 0.00 C ATOM 225 O LEU A 76 -9.821 3.674 3.451 1.00 0.00 O ATOM 226 CB LEU A 76 -8.761 4.421 0.425 1.00 0.00 C ATOM 227 CG LEU A 76 -7.407 4.049 -0.206 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.050 5.057 -1.297 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.275 4.065 0.833 1.00 0.00 C ATOM 0 H LEU A 76 -10.149 2.778 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.600 2.610 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.434 4.796 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.620 5.227 1.145 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.507 3.044 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.091 4.789 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.821 5.048 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.983 6.055 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.335 3.797 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.191 5.063 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.495 3.346 1.622 1.00 0.00 H new ATOM 241 N ASP A 77 -11.545 3.866 2.043 1.00 0.00 N ATOM 242 CA ASP A 77 -12.539 4.108 3.079 1.00 0.00 C ATOM 243 C ASP A 77 -12.638 2.852 3.957 1.00 0.00 C ATOM 244 O ASP A 77 -12.348 2.868 5.154 1.00 0.00 O ATOM 245 CB ASP A 77 -13.858 4.484 2.372 1.00 0.00 C ATOM 246 CG ASP A 77 -15.089 4.235 3.220 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.056 4.603 4.413 1.00 0.00 O ATOM 248 OD2 ASP A 77 -16.041 3.629 2.683 1.00 0.00 O ATOM 0 H ASP A 77 -11.922 3.898 1.096 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.276 4.931 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.825 5.537 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.941 3.913 1.447 1.00 0.00 H new ATOM 253 N LEU A 78 -12.928 1.712 3.330 1.00 0.00 N ATOM 254 CA LEU A 78 -12.984 0.452 4.053 1.00 0.00 C ATOM 255 C LEU A 78 -11.662 0.092 4.760 1.00 0.00 C ATOM 256 O LEU A 78 -11.679 -0.485 5.846 1.00 0.00 O ATOM 257 CB LEU A 78 -13.552 -0.659 3.156 1.00 0.00 C ATOM 258 CG LEU A 78 -14.986 -0.977 3.595 1.00 0.00 C ATOM 259 CD1 LEU A 78 -15.745 -1.798 2.555 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.033 -1.730 4.931 1.00 0.00 C ATOM 0 H LEU A 78 -13.125 1.640 2.332 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.684 0.571 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.540 -0.343 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.931 -1.552 3.225 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.468 -0.006 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.755 -1.996 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.796 -1.242 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.227 -2.743 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.070 -1.932 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.493 -2.672 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.570 -1.122 5.708 1.00 0.00 H new ATOM 272 N TYR A 79 -10.508 0.454 4.192 1.00 0.00 N ATOM 273 CA TYR A 79 -9.225 0.340 4.873 1.00 0.00 C ATOM 274 C TYR A 79 -9.233 1.101 6.205 1.00 0.00 C ATOM 275 O TYR A 79 -8.946 0.500 7.236 1.00 0.00 O ATOM 276 CB TYR A 79 -8.055 0.807 3.989 1.00 0.00 C ATOM 277 CG TYR A 79 -7.551 -0.188 2.963 1.00 0.00 C ATOM 278 CD1 TYR A 79 -7.229 -1.500 3.353 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.373 0.181 1.618 1.00 0.00 C ATOM 280 CE1 TYR A 79 -7.013 -2.483 2.373 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.225 -0.806 0.640 1.00 0.00 C ATOM 282 CZ TYR A 79 -7.171 -2.145 1.023 1.00 0.00 C ATOM 283 OH TYR A 79 -7.086 -3.115 0.082 1.00 0.00 O ATOM 0 H TYR A 79 -10.442 0.834 3.248 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.074 -0.719 5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.362 1.713 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.223 1.080 4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.148 -1.751 4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.351 1.225 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.729 -3.486 2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.153 -0.534 -0.403 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.934 -3.604 0.039 1.00 0.00 H new ATOM 293 N GLU A 80 -9.585 2.383 6.234 1.00 0.00 N ATOM 294 CA GLU A 80 -9.582 3.119 7.498 1.00 0.00 C ATOM 295 C GLU A 80 -10.736 2.711 8.433 1.00 0.00 C ATOM 296 O GLU A 80 -10.566 2.665 9.651 1.00 0.00 O ATOM 297 CB GLU A 80 -9.451 4.622 7.237 1.00 0.00 C ATOM 298 CG GLU A 80 -8.016 4.965 6.769 1.00 0.00 C ATOM 299 CD GLU A 80 -6.895 4.807 7.810 1.00 0.00 C ATOM 300 OE1 GLU A 80 -7.185 4.415 8.964 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.734 5.081 7.431 1.00 0.00 O ATOM 0 H GLU A 80 -9.870 2.925 5.418 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.697 2.835 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.171 4.930 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.687 5.177 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.777 4.334 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.010 5.996 6.416 1.00 0.00 H new ATOM 308 N GLN A 81 -11.866 2.244 7.897 1.00 0.00 N ATOM 309 CA GLN A 81 -12.830 1.477 8.701 1.00 0.00 C ATOM 310 C GLN A 81 -12.180 0.234 9.350 1.00 0.00 C ATOM 311 O GLN A 81 -12.472 -0.098 10.496 1.00 0.00 O ATOM 312 CB GLN A 81 -14.041 1.052 7.867 1.00 0.00 C ATOM 313 CG GLN A 81 -14.884 2.215 7.321 1.00 0.00 C ATOM 314 CD GLN A 81 -16.024 1.710 6.440 1.00 0.00 C ATOM 315 OE1 GLN A 81 -16.537 0.611 6.626 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.432 2.481 5.458 1.00 0.00 N ATOM 0 H GLN A 81 -12.137 2.379 6.923 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.167 2.141 9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.694 0.448 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.680 0.413 8.477 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.292 2.792 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.249 2.889 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.999 3.393 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.182 2.168 4.842 1.00 0.00 H new ATOM 325 N SER A 82 -11.276 -0.457 8.641 1.00 0.00 N ATOM 326 CA SER A 82 -10.443 -1.524 9.219 1.00 0.00 C ATOM 327 C SER A 82 -9.207 -1.006 9.984 1.00 0.00 C ATOM 328 O SER A 82 -8.367 -1.790 10.428 1.00 0.00 O ATOM 329 CB SER A 82 -10.103 -2.594 8.179 1.00 0.00 C ATOM 330 OG SER A 82 -9.048 -2.249 7.310 1.00 0.00 O ATOM 0 H SER A 82 -11.101 -0.293 7.650 1.00 0.00 H new ATOM 0 HA SER A 82 -11.051 -2.005 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.843 -3.517 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.993 -2.802 7.585 1.00 0.00 H new ATOM 0 HG SER A 82 -8.904 -1.280 7.339 1.00 0.00 H new ATOM 336 N ASN A 83 -9.091 0.316 10.133 1.00 0.00 N ATOM 337 CA ASN A 83 -7.934 1.039 10.652 1.00 0.00 C ATOM 338 C ASN A 83 -6.615 0.573 10.015 1.00 0.00 C ATOM 339 O ASN A 83 -5.685 0.172 10.713 1.00 0.00 O ATOM 340 CB ASN A 83 -7.949 0.989 12.186 1.00 0.00 C ATOM 341 CG ASN A 83 -6.820 1.802 12.804 1.00 0.00 C ATOM 342 OD1 ASN A 83 -6.018 1.279 13.575 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.700 3.071 12.463 1.00 0.00 N ATOM 0 H ASN A 83 -9.851 0.946 9.878 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.004 2.088 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.905 1.365 12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.868 -0.047 12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.935 3.630 12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.372 3.493 11.822 1.00 0.00 H new ATOM 350 N ILE A 84 -6.553 0.594 8.686 1.00 0.00 N ATOM 351 CA ILE A 84 -5.374 0.286 7.875 1.00 0.00 C ATOM 352 C ILE A 84 -4.851 1.526 7.125 1.00 0.00 C ATOM 353 O ILE A 84 -5.399 1.896 6.092 1.00 0.00 O ATOM 354 CB ILE A 84 -5.731 -0.872 6.911 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.636 -2.183 7.705 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.848 -0.905 5.653 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.042 -3.426 6.908 1.00 0.00 C ATOM 0 H ILE A 84 -7.363 0.838 8.116 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.558 -0.027 8.526 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.743 -0.723 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.612 -2.309 8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.270 -2.107 8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.149 -1.739 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.963 0.029 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.805 -1.028 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.947 -4.310 7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.076 -3.325 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.392 -3.529 6.039 1.00 0.00 H new ATOM 369 N ARG A 85 -3.695 2.070 7.528 1.00 0.00 N ATOM 370 CA ARG A 85 -2.962 2.961 6.619 1.00 0.00 C ATOM 371 C ARG A 85 -2.423 2.126 5.446 1.00 0.00 C ATOM 372 O ARG A 85 -1.735 1.118 5.641 1.00 0.00 O ATOM 373 CB ARG A 85 -1.833 3.740 7.329 1.00 0.00 C ATOM 374 CG ARG A 85 -1.223 4.832 6.415 1.00 0.00 C ATOM 375 CD ARG A 85 0.031 5.494 7.018 1.00 0.00 C ATOM 376 NE ARG A 85 0.745 6.353 6.032 1.00 0.00 N ATOM 377 CZ ARG A 85 1.361 7.529 6.232 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.493 8.074 7.426 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.844 8.187 5.201 1.00 0.00 N ATOM 0 H ARG A 85 -3.261 1.918 8.439 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.649 3.722 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.225 4.202 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.051 3.046 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.966 4.390 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.974 5.598 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.257 6.096 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.708 4.721 7.381 1.00 0.00 H new ATOM 0 HE ARG A 85 0.769 6.000 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.119 7.599 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.969 8.970 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.749 7.803 4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.314 9.081 5.341 1.00 0.00 H new ATOM 393 N ILE A 86 -2.726 2.515 4.212 1.00 0.00 N ATOM 394 CA ILE A 86 -2.044 1.996 3.029 1.00 0.00 C ATOM 395 C ILE A 86 -0.758 2.802 2.796 1.00 0.00 C ATOM 396 O ILE A 86 -0.839 4.028 2.776 1.00 0.00 O ATOM 397 CB ILE A 86 -3.007 2.063 1.831 1.00 0.00 C ATOM 398 CG1 ILE A 86 -4.207 1.116 2.009 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.299 1.765 0.507 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.822 -0.351 2.235 1.00 0.00 C ATOM 0 H ILE A 86 -3.452 3.200 4.002 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.756 0.954 3.165 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.378 3.087 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.803 1.458 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.841 1.181 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.017 1.823 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.506 2.495 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.869 0.764 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.725 -0.950 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.253 -0.714 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.214 -0.433 3.136 1.00 0.00 H new ATOM 412 N PRO A 87 0.417 2.154 2.662 1.00 0.00 N ATOM 413 CA PRO A 87 1.622 2.857 2.263 1.00 0.00 C ATOM 414 C PRO A 87 1.396 3.667 0.981 1.00 0.00 C ATOM 415 O PRO A 87 0.855 3.153 0.002 1.00 0.00 O ATOM 416 CB PRO A 87 2.699 1.785 2.059 1.00 0.00 C ATOM 417 CG PRO A 87 2.214 0.597 2.887 1.00 0.00 C ATOM 418 CD PRO A 87 0.689 0.739 2.866 1.00 0.00 C ATOM 0 HA PRO A 87 1.924 3.576 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.802 1.520 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.675 2.133 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.534 -0.351 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.605 0.631 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.253 0.139 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.252 0.389 3.801 1.00 0.00 H new ATOM 426 N SER A 88 1.850 4.910 0.971 1.00 0.00 N ATOM 427 CA SER A 88 2.011 5.728 -0.223 1.00 0.00 C ATOM 428 C SER A 88 2.667 4.907 -1.345 1.00 0.00 C ATOM 429 O SER A 88 2.165 4.857 -2.467 1.00 0.00 O ATOM 430 CB SER A 88 2.836 6.953 0.175 1.00 0.00 C ATOM 431 OG SER A 88 2.141 7.675 1.182 1.00 0.00 O ATOM 0 H SER A 88 2.127 5.396 1.824 1.00 0.00 H new ATOM 0 HA SER A 88 1.050 6.059 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.815 6.644 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.007 7.589 -0.693 1.00 0.00 H new ATOM 0 HG SER A 88 2.306 7.261 2.055 1.00 0.00 H new ATOM 437 N ASP A 89 3.710 4.146 -1.008 1.00 0.00 N ATOM 438 CA ASP A 89 4.412 3.208 -1.877 1.00 0.00 C ATOM 439 C ASP A 89 3.591 1.960 -2.317 1.00 0.00 C ATOM 440 O ASP A 89 4.150 0.988 -2.825 1.00 0.00 O ATOM 441 CB ASP A 89 5.690 2.788 -1.137 1.00 0.00 C ATOM 442 CG ASP A 89 6.579 3.927 -0.674 1.00 0.00 C ATOM 443 OD1 ASP A 89 6.085 4.784 0.085 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.784 3.872 -0.990 1.00 0.00 O ATOM 0 H ASP A 89 4.107 4.171 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 89 4.620 3.719 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.408 2.194 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.272 2.139 -1.791 1.00 0.00 H new ATOM 449 N ILE A 90 2.273 1.940 -2.100 1.00 0.00 N ATOM 450 CA ILE A 90 1.305 1.113 -2.838 1.00 0.00 C ATOM 451 C ILE A 90 0.598 1.999 -3.870 1.00 0.00 C ATOM 452 O ILE A 90 0.535 1.694 -5.057 1.00 0.00 O ATOM 453 CB ILE A 90 0.234 0.552 -1.876 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.786 -0.401 -0.807 1.00 0.00 C ATOM 455 CG2 ILE A 90 -0.925 -0.107 -2.637 1.00 0.00 C ATOM 456 CD1 ILE A 90 1.117 -1.787 -1.341 1.00 0.00 C ATOM 0 H ILE A 90 1.833 2.517 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 90 1.832 0.288 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.144 1.423 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.685 0.036 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.056 -0.495 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.657 -0.489 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.399 0.629 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.543 -0.930 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.502 -2.407 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.216 -2.244 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.870 -1.705 -2.124 1.00 0.00 H new ATOM 468 N ILE A 91 0.025 3.101 -3.379 1.00 0.00 N ATOM 469 CA ILE A 91 -0.790 4.043 -4.141 1.00 0.00 C ATOM 470 C ILE A 91 -0.024 4.541 -5.377 1.00 0.00 C ATOM 471 O ILE A 91 -0.591 4.611 -6.470 1.00 0.00 O ATOM 472 CB ILE A 91 -1.244 5.167 -3.189 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.174 4.567 -2.114 1.00 0.00 C ATOM 474 CG2 ILE A 91 -1.959 6.291 -3.951 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.319 5.443 -0.865 1.00 0.00 C ATOM 0 H ILE A 91 0.122 3.370 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.686 3.563 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.365 5.605 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.160 4.404 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.791 3.590 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.266 7.067 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.281 6.717 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.838 5.888 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.987 4.956 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.341 5.585 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.732 6.412 -1.146 1.00 0.00 H new ATOM 487 N GLU A 92 1.273 4.805 -5.184 1.00 0.00 N ATOM 488 CA GLU A 92 2.298 4.980 -6.212 1.00 0.00 C ATOM 489 C GLU A 92 2.013 4.160 -7.488 1.00 0.00 C ATOM 490 O GLU A 92 1.679 4.721 -8.529 1.00 0.00 O ATOM 491 CB GLU A 92 3.641 4.609 -5.560 1.00 0.00 C ATOM 492 CG GLU A 92 4.851 4.769 -6.496 1.00 0.00 C ATOM 493 CD GLU A 92 6.119 4.218 -5.868 1.00 0.00 C ATOM 494 OE1 GLU A 92 6.789 4.962 -5.126 1.00 0.00 O ATOM 495 OE2 GLU A 92 6.408 3.026 -6.087 1.00 0.00 O ATOM 0 H GLU A 92 1.656 4.908 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 92 2.313 6.013 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.791 5.232 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.594 3.576 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.656 4.253 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.991 5.823 -6.734 1.00 0.00 H new ATOM 502 N ASP A 93 2.102 2.833 -7.398 1.00 0.00 N ATOM 503 CA ASP A 93 1.858 1.909 -8.496 1.00 0.00 C ATOM 504 C ASP A 93 0.356 1.783 -8.827 1.00 0.00 C ATOM 505 O ASP A 93 -0.051 1.921 -9.986 1.00 0.00 O ATOM 506 CB ASP A 93 2.474 0.562 -8.092 1.00 0.00 C ATOM 507 CG ASP A 93 2.082 -0.537 -9.053 1.00 0.00 C ATOM 508 OD1 ASP A 93 2.653 -0.580 -10.160 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.167 -1.304 -8.686 1.00 0.00 O ATOM 0 H ASP A 93 2.354 2.361 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 93 2.319 2.279 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.560 0.651 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.149 0.299 -7.085 1.00 0.00 H new ATOM 514 N LEU A 94 -0.468 1.520 -7.807 1.00 0.00 N ATOM 515 CA LEU A 94 -1.887 1.173 -7.942 1.00 0.00 C ATOM 516 C LEU A 94 -2.628 2.086 -8.933 1.00 0.00 C ATOM 517 O LEU A 94 -3.314 1.630 -9.852 1.00 0.00 O ATOM 518 CB LEU A 94 -2.562 1.209 -6.553 1.00 0.00 C ATOM 519 CG LEU A 94 -3.669 0.162 -6.346 1.00 0.00 C ATOM 520 CD1 LEU A 94 -4.661 0.042 -7.503 1.00 0.00 C ATOM 521 CD2 LEU A 94 -3.029 -1.191 -6.055 1.00 0.00 C ATOM 0 H LEU A 94 -0.157 1.543 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.944 0.165 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.798 1.065 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.986 2.201 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.262 0.507 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.404 -0.720 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.159 1.000 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.128 -0.239 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.809 -1.938 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.400 -1.484 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.420 -1.119 -5.154 1.00 0.00 H new ATOM 533 N VAL A 95 -2.464 3.399 -8.764 1.00 0.00 N ATOM 534 CA VAL A 95 -3.041 4.414 -9.643 1.00 0.00 C ATOM 535 C VAL A 95 -2.695 4.197 -11.133 1.00 0.00 C ATOM 536 O VAL A 95 -3.561 4.395 -11.990 1.00 0.00 O ATOM 537 CB VAL A 95 -2.626 5.803 -9.125 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.021 6.909 -10.106 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.291 6.089 -7.772 1.00 0.00 C ATOM 0 H VAL A 95 -1.917 3.792 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.127 4.332 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.541 5.795 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.713 7.876 -9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.530 6.738 -11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.102 6.902 -10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.988 7.075 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.375 6.062 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.983 5.334 -7.049 1.00 0.00 H new ATOM 549 N ASN A 96 -1.463 3.785 -11.452 1.00 0.00 N ATOM 550 CA ASN A 96 -1.006 3.507 -12.820 1.00 0.00 C ATOM 551 C ASN A 96 -1.500 2.153 -13.339 1.00 0.00 C ATOM 552 O ASN A 96 -2.043 2.068 -14.440 1.00 0.00 O ATOM 553 CB ASN A 96 0.524 3.542 -12.906 1.00 0.00 C ATOM 554 CG ASN A 96 1.095 4.838 -12.365 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.740 4.761 -11.220 1.00 0.00 O flip ATOM 556 ND2 ASN A 96 0.949 5.897 -12.961 1.00 0.00 N flip ATOM 0 H ASN A 96 -0.739 3.632 -10.751 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.432 4.291 -13.446 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.938 2.703 -12.347 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.832 3.416 -13.944 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.443 5.918 -13.846 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.333 6.758 -12.572 1.00 0.00 H new ATOM 563 N GLN A 97 -1.337 1.084 -12.552 1.00 0.00 N ATOM 564 CA GLN A 97 -1.874 -0.233 -12.915 1.00 0.00 C ATOM 565 C GLN A 97 -3.388 -0.170 -13.156 1.00 0.00 C ATOM 566 O GLN A 97 -3.934 -0.870 -14.012 1.00 0.00 O ATOM 567 CB GLN A 97 -1.539 -1.276 -11.843 1.00 0.00 C ATOM 568 CG GLN A 97 -0.034 -1.390 -11.569 1.00 0.00 C ATOM 569 CD GLN A 97 0.826 -1.767 -12.766 1.00 0.00 C ATOM 570 OE1 GLN A 97 0.352 -2.273 -13.777 1.00 0.00 O ATOM 571 NE2 GLN A 97 2.119 -1.528 -12.669 1.00 0.00 N ATOM 0 H GLN A 97 -0.839 1.104 -11.662 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.399 -0.537 -13.848 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.053 -1.016 -10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.920 -2.248 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.319 -0.436 -11.177 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.119 -2.133 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.497 -1.106 -11.821 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.741 -1.765 -13.442 1.00 0.00 H new ATOM 580 N ARG A 98 -4.065 0.723 -12.432 1.00 0.00 N ATOM 581 CA ARG A 98 -5.358 1.277 -12.798 1.00 0.00 C ATOM 582 C ARG A 98 -6.444 0.199 -12.923 1.00 0.00 C ATOM 583 O ARG A 98 -7.159 0.107 -13.920 1.00 0.00 O ATOM 584 CB ARG A 98 -5.173 2.147 -14.055 1.00 0.00 C ATOM 585 CG ARG A 98 -6.399 2.899 -14.581 1.00 0.00 C ATOM 586 CD ARG A 98 -7.037 3.838 -13.557 1.00 0.00 C ATOM 587 NE ARG A 98 -7.767 3.087 -12.517 1.00 0.00 N ATOM 588 CZ ARG A 98 -7.820 3.391 -11.219 1.00 0.00 C ATOM 589 NH1 ARG A 98 -7.257 4.487 -10.754 1.00 0.00 N ATOM 590 NH2 ARG A 98 -8.444 2.586 -10.389 1.00 0.00 N ATOM 0 H ARG A 98 -3.712 1.088 -11.548 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.732 1.918 -11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.394 2.879 -13.845 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.802 1.507 -14.855 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.109 3.477 -15.458 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.144 2.174 -14.909 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.264 4.449 -13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.721 4.520 -14.063 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.279 2.258 -12.819 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.770 5.119 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.308 4.703 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.884 1.735 -10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.488 2.812 -9.395 1.00 0.00 H new ATOM 604 N LEU A 99 -6.586 -0.626 -11.891 1.00 0.00 N ATOM 605 CA LEU A 99 -7.632 -1.647 -11.850 1.00 0.00 C ATOM 606 C LEU A 99 -9.030 -1.003 -11.725 1.00 0.00 C ATOM 607 O LEU A 99 -9.124 0.212 -11.515 1.00 0.00 O ATOM 608 CB LEU A 99 -7.310 -2.673 -10.762 1.00 0.00 C ATOM 609 CG LEU A 99 -5.837 -3.133 -10.739 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.651 -4.247 -9.708 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.378 -3.664 -12.103 1.00 0.00 C ATOM 0 H LEU A 99 -5.987 -0.609 -11.066 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.657 -2.195 -12.792 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.560 -2.246 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.949 -3.545 -10.901 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.237 -2.260 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.608 -4.565 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.926 -3.878 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.286 -5.094 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.336 -3.976 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.995 -4.516 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.476 -2.878 -12.851 1.00 0.00 H new ATOM 623 N GLN A 100 -10.108 -1.756 -11.958 1.00 0.00 N ATOM 624 CA GLN A 100 -11.433 -1.187 -12.225 1.00 0.00 C ATOM 625 C GLN A 100 -12.406 -1.207 -11.035 1.00 0.00 C ATOM 626 O GLN A 100 -13.098 -0.214 -10.803 1.00 0.00 O ATOM 627 CB GLN A 100 -12.048 -1.881 -13.447 1.00 0.00 C ATOM 628 CG GLN A 100 -13.326 -1.188 -13.953 1.00 0.00 C ATOM 629 CD GLN A 100 -13.142 0.297 -14.257 1.00 0.00 C ATOM 630 OE1 GLN A 100 -12.783 0.690 -15.362 1.00 0.00 O ATOM 631 NE2 GLN A 100 -13.371 1.160 -13.284 1.00 0.00 N ATOM 0 H GLN A 100 -10.088 -2.776 -11.967 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.271 -0.127 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.313 -1.907 -14.251 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.279 -2.915 -13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.670 -1.694 -14.855 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.110 -1.302 -13.205 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.669 0.827 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.250 2.159 -13.449 1.00 0.00 H new ATOM 640 N SER A 101 -12.536 -2.337 -10.344 1.00 0.00 N ATOM 641 CA SER A 101 -13.482 -2.537 -9.249 1.00 0.00 C ATOM 642 C SER A 101 -12.808 -2.623 -7.874 1.00 0.00 C ATOM 643 O SER A 101 -11.606 -2.863 -7.745 1.00 0.00 O ATOM 644 CB SER A 101 -14.297 -3.810 -9.506 1.00 0.00 C ATOM 645 OG SER A 101 -13.533 -4.952 -9.170 1.00 0.00 O ATOM 0 H SER A 101 -11.969 -3.163 -10.536 1.00 0.00 H new ATOM 0 HA SER A 101 -14.131 -1.662 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.214 -3.790 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.593 -3.856 -10.554 1.00 0.00 H new ATOM 0 HG SER A 101 -12.820 -5.074 -9.831 1.00 0.00 H new ATOM 651 N GLU A 102 -13.618 -2.484 -6.822 1.00 0.00 N ATOM 652 CA GLU A 102 -13.189 -2.742 -5.454 1.00 0.00 C ATOM 653 C GLU A 102 -12.477 -4.094 -5.297 1.00 0.00 C ATOM 654 O GLU A 102 -11.487 -4.203 -4.584 1.00 0.00 O ATOM 655 CB GLU A 102 -14.390 -2.671 -4.510 1.00 0.00 C ATOM 656 CG GLU A 102 -14.909 -1.238 -4.329 1.00 0.00 C ATOM 657 CD GLU A 102 -15.865 -1.173 -3.165 1.00 0.00 C ATOM 658 OE1 GLU A 102 -17.021 -1.613 -3.323 1.00 0.00 O ATOM 659 OE2 GLU A 102 -15.397 -0.917 -2.040 1.00 0.00 O ATOM 0 H GLU A 102 -14.591 -2.189 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.464 -1.970 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.192 -3.298 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.110 -3.078 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.073 -0.559 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.410 -0.907 -5.239 1.00 0.00 H new ATOM 666 N GLN A 103 -12.980 -5.140 -5.951 1.00 0.00 N ATOM 667 CA GLN A 103 -12.390 -6.472 -5.839 1.00 0.00 C ATOM 668 C GLN A 103 -10.945 -6.511 -6.327 1.00 0.00 C ATOM 669 O GLN A 103 -10.085 -7.118 -5.693 1.00 0.00 O ATOM 670 CB GLN A 103 -13.238 -7.496 -6.607 1.00 0.00 C ATOM 671 CG GLN A 103 -14.596 -7.755 -5.940 1.00 0.00 C ATOM 672 CD GLN A 103 -14.449 -8.179 -4.486 1.00 0.00 C ATOM 673 OE1 GLN A 103 -15.025 -7.581 -3.581 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.624 -9.180 -4.232 1.00 0.00 N ATOM 0 H GLN A 103 -13.794 -5.090 -6.563 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.379 -6.731 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.399 -7.139 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.689 -8.435 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.204 -6.852 -5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.128 -8.531 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.156 -9.663 -4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.455 -9.470 -3.269 1.00 0.00 H new ATOM 683 N GLU A 104 -10.678 -5.864 -7.450 1.00 0.00 N ATOM 684 CA GLU A 104 -9.347 -5.846 -8.018 1.00 0.00 C ATOM 685 C GLU A 104 -8.391 -5.050 -7.139 1.00 0.00 C ATOM 686 O GLU A 104 -7.328 -5.541 -6.760 1.00 0.00 O ATOM 687 CB GLU A 104 -9.421 -5.218 -9.398 1.00 0.00 C ATOM 688 CG GLU A 104 -10.320 -5.989 -10.360 1.00 0.00 C ATOM 689 CD GLU A 104 -10.827 -5.056 -11.445 1.00 0.00 C ATOM 690 OE1 GLU A 104 -9.994 -4.498 -12.191 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.043 -4.785 -11.406 1.00 0.00 O ATOM 0 H GLU A 104 -11.372 -5.343 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.970 -6.867 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.789 -4.196 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.417 -5.158 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.767 -6.815 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.160 -6.424 -9.819 1.00 0.00 H new ATOM 698 N VAL A 105 -8.776 -3.817 -6.797 1.00 0.00 N ATOM 699 CA VAL A 105 -7.893 -2.981 -6.006 1.00 0.00 C ATOM 700 C VAL A 105 -7.705 -3.610 -4.625 1.00 0.00 C ATOM 701 O VAL A 105 -6.582 -3.666 -4.152 1.00 0.00 O ATOM 702 CB VAL A 105 -8.341 -1.510 -5.979 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.535 -0.937 -7.390 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.625 -1.340 -5.183 1.00 0.00 C ATOM 0 H VAL A 105 -9.668 -3.392 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.912 -2.942 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.540 -0.954 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.851 0.104 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.595 -0.994 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.297 -1.513 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.916 -0.290 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.417 -1.936 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.464 -1.673 -4.158 1.00 0.00 H new ATOM 714 N LEU A 106 -8.742 -4.185 -3.999 1.00 0.00 N ATOM 715 CA LEU A 106 -8.526 -4.828 -2.707 1.00 0.00 C ATOM 716 C LEU A 106 -7.585 -6.034 -2.823 1.00 0.00 C ATOM 717 O LEU A 106 -6.683 -6.166 -1.994 1.00 0.00 O ATOM 718 CB LEU A 106 -9.836 -5.098 -1.943 1.00 0.00 C ATOM 719 CG LEU A 106 -10.587 -6.382 -2.325 1.00 0.00 C ATOM 720 CD1 LEU A 106 -10.119 -7.603 -1.515 1.00 0.00 C ATOM 721 CD2 LEU A 106 -12.087 -6.222 -2.058 1.00 0.00 C ATOM 0 H LEU A 106 -9.698 -4.216 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.000 -4.116 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.610 -5.136 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.504 -4.251 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.380 -6.545 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.682 -8.483 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.057 -7.771 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.286 -7.421 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.606 -7.140 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.248 -6.018 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.476 -5.394 -2.651 1.00 0.00 H new ATOM 733 N ASN A 107 -7.749 -6.910 -3.831 1.00 0.00 N ATOM 734 CA ASN A 107 -6.886 -8.094 -3.862 1.00 0.00 C ATOM 735 C ASN A 107 -5.438 -7.739 -4.235 1.00 0.00 C ATOM 736 O ASN A 107 -4.493 -8.173 -3.570 1.00 0.00 O ATOM 737 CB ASN A 107 -7.507 -9.255 -4.651 1.00 0.00 C ATOM 738 CG ASN A 107 -7.361 -9.185 -6.161 1.00 0.00 C ATOM 739 OD1 ASN A 107 -6.283 -9.367 -6.706 1.00 0.00 O ATOM 740 ND2 ASN A 107 -8.459 -8.988 -6.860 1.00 0.00 N ATOM 0 H ASN A 107 -8.427 -6.828 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.815 -8.484 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.057 -10.186 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.569 -9.305 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.421 -8.985 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.348 -8.838 -6.382 1.00 0.00 H new ATOM 747 N TYR A 108 -5.256 -6.877 -5.238 1.00 0.00 N ATOM 748 CA TYR A 108 -3.935 -6.382 -5.600 1.00 0.00 C ATOM 749 C TYR A 108 -3.285 -5.608 -4.440 1.00 0.00 C ATOM 750 O TYR A 108 -2.179 -5.950 -4.028 1.00 0.00 O ATOM 751 CB TYR A 108 -4.020 -5.576 -6.901 1.00 0.00 C ATOM 752 CG TYR A 108 -2.684 -5.149 -7.490 1.00 0.00 C ATOM 753 CD1 TYR A 108 -1.628 -6.071 -7.628 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.526 -3.844 -7.994 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.397 -5.658 -8.170 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.292 -3.432 -8.523 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.221 -4.333 -8.591 1.00 0.00 C ATOM 758 OH TYR A 108 0.987 -3.953 -9.076 1.00 0.00 O ATOM 0 H TYR A 108 -6.013 -6.509 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.273 -7.227 -5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.552 -6.171 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.619 -4.684 -6.718 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.763 -7.096 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.358 -3.156 -7.974 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.415 -6.364 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.168 -2.419 -8.878 1.00 0.00 H new ATOM 0 HH TYR A 108 1.073 -2.979 -9.014 1.00 0.00 H new ATOM 768 N ILE A 109 -3.977 -4.632 -3.842 1.00 0.00 N ATOM 769 CA ILE A 109 -3.468 -3.901 -2.676 1.00 0.00 C ATOM 770 C ILE A 109 -3.054 -4.844 -1.544 1.00 0.00 C ATOM 771 O ILE A 109 -1.932 -4.746 -1.065 1.00 0.00 O ATOM 772 CB ILE A 109 -4.484 -2.868 -2.139 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.665 -1.691 -3.107 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.044 -2.308 -0.778 1.00 0.00 C ATOM 775 CD1 ILE A 109 -5.901 -0.855 -2.768 1.00 0.00 C ATOM 0 H ILE A 109 -4.900 -4.328 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.586 -3.365 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.430 -3.398 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.779 -1.057 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.751 -2.069 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.780 -1.584 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.965 -3.122 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.075 -1.819 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.990 -0.033 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.791 -1.482 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.803 -0.454 -1.759 1.00 0.00 H new ATOM 787 N GLU A 110 -3.913 -5.748 -1.063 1.00 0.00 N ATOM 788 CA GLU A 110 -3.510 -6.653 0.018 1.00 0.00 C ATOM 789 C GLU A 110 -2.294 -7.533 -0.362 1.00 0.00 C ATOM 790 O GLU A 110 -1.380 -7.734 0.453 1.00 0.00 O ATOM 791 CB GLU A 110 -4.711 -7.465 0.522 1.00 0.00 C ATOM 792 CG GLU A 110 -5.668 -6.639 1.406 1.00 0.00 C ATOM 793 CD GLU A 110 -6.597 -7.525 2.215 1.00 0.00 C ATOM 794 OE1 GLU A 110 -7.147 -8.495 1.658 1.00 0.00 O ATOM 795 OE2 GLU A 110 -6.774 -7.281 3.432 1.00 0.00 O ATOM 0 H GLU A 110 -4.869 -5.872 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.164 -6.042 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.262 -7.857 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.350 -8.323 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.087 -6.010 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.258 -5.972 0.778 1.00 0.00 H new ATOM 802 N THR A 111 -2.229 -8.008 -1.607 1.00 0.00 N ATOM 803 CA THR A 111 -1.043 -8.695 -2.138 1.00 0.00 C ATOM 804 C THR A 111 0.217 -7.816 -2.066 1.00 0.00 C ATOM 805 O THR A 111 1.185 -8.167 -1.389 1.00 0.00 O ATOM 806 CB THR A 111 -1.301 -9.208 -3.563 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.418 -10.071 -3.538 1.00 0.00 O ATOM 808 CG2 THR A 111 -0.124 -10.023 -4.096 1.00 0.00 C ATOM 0 H THR A 111 -2.994 -7.929 -2.277 1.00 0.00 H new ATOM 0 HA THR A 111 -0.852 -9.559 -1.501 1.00 0.00 H new ATOM 0 HB THR A 111 -1.459 -8.339 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.242 -9.540 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.347 -10.367 -5.106 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.771 -9.401 -4.114 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.045 -10.884 -3.449 1.00 0.00 H new ATOM 816 N GLN A 112 0.202 -6.637 -2.690 1.00 0.00 N ATOM 817 CA GLN A 112 1.289 -5.665 -2.623 1.00 0.00 C ATOM 818 C GLN A 112 1.648 -5.293 -1.172 1.00 0.00 C ATOM 819 O GLN A 112 2.808 -5.169 -0.804 1.00 0.00 O ATOM 820 CB GLN A 112 0.880 -4.410 -3.388 1.00 0.00 C ATOM 821 CG GLN A 112 0.760 -4.595 -4.901 1.00 0.00 C ATOM 822 CD GLN A 112 0.473 -3.256 -5.560 1.00 0.00 C ATOM 823 OE1 GLN A 112 -0.517 -2.617 -5.243 1.00 0.00 O ATOM 824 NE2 GLN A 112 1.344 -2.806 -6.442 1.00 0.00 N ATOM 0 H GLN A 112 -0.581 -6.328 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 112 2.174 -6.117 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.077 -4.061 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.610 -3.625 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.683 -5.017 -5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.038 -5.302 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.161 -3.367 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.201 -1.897 -6.882 1.00 0.00 H new ATOM 833 N ARG A 113 0.657 -5.146 -0.302 1.00 0.00 N ATOM 834 CA ARG A 113 0.843 -4.889 1.123 1.00 0.00 C ATOM 835 C ARG A 113 1.594 -6.043 1.811 1.00 0.00 C ATOM 836 O ARG A 113 2.296 -5.856 2.805 1.00 0.00 O ATOM 837 CB ARG A 113 -0.533 -4.597 1.740 1.00 0.00 C ATOM 838 CG ARG A 113 -0.417 -3.929 3.108 1.00 0.00 C ATOM 839 CD ARG A 113 -1.749 -3.286 3.526 1.00 0.00 C ATOM 840 NE ARG A 113 -1.523 -2.323 4.627 1.00 0.00 N ATOM 841 CZ ARG A 113 -1.919 -2.369 5.900 1.00 0.00 C ATOM 842 NH1 ARG A 113 -2.590 -3.394 6.388 1.00 0.00 N ATOM 843 NH2 ARG A 113 -1.611 -1.372 6.702 1.00 0.00 N ATOM 0 H ARG A 113 -0.324 -5.203 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 113 1.478 -4.016 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.102 -3.953 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.091 -5.528 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.117 -4.667 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.364 -3.169 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.200 -2.777 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.450 -4.057 3.845 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.981 -1.497 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.822 -4.185 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.877 -3.396 7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.077 -0.579 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.907 -1.393 7.678 1.00 0.00 H new ATOM 857 N THR A 114 1.467 -7.257 1.276 1.00 0.00 N ATOM 858 CA THR A 114 2.294 -8.411 1.633 1.00 0.00 C ATOM 859 C THR A 114 3.698 -8.428 0.991 1.00 0.00 C ATOM 860 O THR A 114 4.650 -8.791 1.680 1.00 0.00 O ATOM 861 CB THR A 114 1.492 -9.710 1.506 1.00 0.00 C ATOM 862 OG1 THR A 114 0.426 -9.608 2.438 1.00 0.00 O ATOM 863 CG2 THR A 114 2.307 -10.949 1.873 1.00 0.00 C ATOM 0 H THR A 114 0.769 -7.471 0.564 1.00 0.00 H new ATOM 0 HA THR A 114 2.548 -8.311 2.688 1.00 0.00 H new ATOM 0 HB THR A 114 1.169 -9.825 0.471 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.276 -9.031 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.686 -11.838 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.170 -11.026 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.647 -10.868 2.905 1.00 0.00 H new ATOM 871 N TYR A 115 3.881 -7.951 -0.245 1.00 0.00 N ATOM 872 CA TYR A 115 5.219 -7.535 -0.717 1.00 0.00 C ATOM 873 C TYR A 115 5.868 -6.591 0.306 1.00 0.00 C ATOM 874 O TYR A 115 6.890 -6.909 0.916 1.00 0.00 O ATOM 875 CB TYR A 115 5.138 -6.911 -2.130 1.00 0.00 C ATOM 876 CG TYR A 115 6.073 -5.737 -2.425 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.439 -5.959 -2.681 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.572 -4.418 -2.476 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.289 -4.876 -2.977 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.437 -3.335 -2.715 1.00 0.00 C ATOM 881 CZ TYR A 115 7.798 -3.561 -2.959 1.00 0.00 C ATOM 882 OH TYR A 115 8.637 -2.514 -3.176 1.00 0.00 O ATOM 0 H TYR A 115 3.136 -7.842 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 115 5.857 -8.414 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.339 -7.696 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.113 -6.578 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.836 -6.963 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.517 -4.239 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.326 -5.058 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.051 -2.326 -2.710 1.00 0.00 H new ATOM 0 HH TYR A 115 8.132 -1.675 -3.130 1.00 0.00 H new ATOM 892 N TRP A 116 5.211 -5.466 0.580 1.00 0.00 N ATOM 893 CA TRP A 116 5.668 -4.485 1.546 1.00 0.00 C ATOM 894 C TRP A 116 5.972 -5.091 2.920 1.00 0.00 C ATOM 895 O TRP A 116 7.043 -4.868 3.469 1.00 0.00 O ATOM 896 CB TRP A 116 4.701 -3.293 1.600 1.00 0.00 C ATOM 897 CG TRP A 116 5.206 -2.115 0.830 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.603 -1.484 -0.203 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.512 -1.492 0.965 1.00 0.00 C ATOM 900 NE1 TRP A 116 5.435 -0.498 -0.692 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.638 -0.473 -0.019 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.618 -1.728 1.805 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.805 0.287 -0.143 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.818 -1.025 1.633 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.896 0.008 0.688 1.00 0.00 C ATOM 0 H TRP A 116 4.333 -5.212 0.127 1.00 0.00 H new ATOM 0 HA TRP A 116 6.630 -4.104 1.203 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.732 -3.596 1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.542 -3.004 2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.620 -1.716 -0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.191 0.133 -1.455 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.540 -2.462 2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.864 1.081 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.683 -1.279 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.801 0.590 0.601 1.00 0.00 H new ATOM 916 N LYS A 117 5.084 -5.918 3.470 1.00 0.00 N ATOM 917 CA LYS A 117 5.375 -6.715 4.666 1.00 0.00 C ATOM 918 C LYS A 117 6.760 -7.401 4.607 1.00 0.00 C ATOM 919 O LYS A 117 7.541 -7.279 5.552 1.00 0.00 O ATOM 920 CB LYS A 117 4.219 -7.711 4.859 1.00 0.00 C ATOM 921 CG LYS A 117 4.264 -8.600 6.107 1.00 0.00 C ATOM 922 CD LYS A 117 3.319 -9.817 5.976 1.00 0.00 C ATOM 923 CE LYS A 117 1.816 -9.529 6.151 1.00 0.00 C ATOM 924 NZ LYS A 117 1.164 -8.878 4.985 1.00 0.00 N ATOM 0 H LYS A 117 4.143 -6.056 3.101 1.00 0.00 H new ATOM 0 HA LYS A 117 5.440 -6.061 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.286 -7.147 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.181 -8.359 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.284 -8.947 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.983 -8.014 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.471 -10.265 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.614 -10.562 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.303 -10.468 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.682 -8.893 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.357 -8.310 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.849 -8.261 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.829 -9.607 4.323 1.00 0.00 H new ATOM 938 N LEU A 118 7.104 -8.079 3.507 1.00 0.00 N ATOM 939 CA LEU A 118 8.440 -8.663 3.334 1.00 0.00 C ATOM 940 C LEU A 118 9.549 -7.597 3.208 1.00 0.00 C ATOM 941 O LEU A 118 10.592 -7.698 3.858 1.00 0.00 O ATOM 942 CB LEU A 118 8.457 -9.646 2.157 1.00 0.00 C ATOM 943 CG LEU A 118 7.516 -10.849 2.356 1.00 0.00 C ATOM 944 CD1 LEU A 118 7.507 -11.680 1.068 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.932 -11.743 3.529 1.00 0.00 C ATOM 0 H LEU A 118 6.474 -8.238 2.720 1.00 0.00 H new ATOM 0 HA LEU A 118 8.664 -9.220 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 118 8.173 -9.118 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.474 -10.009 2.010 1.00 0.00 H new ATOM 0 HG LEU A 118 6.525 -10.459 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.845 -12.537 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.153 -11.065 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.517 -12.030 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.232 -12.573 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.935 -12.132 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.926 -11.161 4.450 1.00 0.00 H new ATOM 957 N GLU A 119 9.337 -6.523 2.451 1.00 0.00 N ATOM 958 CA GLU A 119 10.274 -5.393 2.425 1.00 0.00 C ATOM 959 C GLU A 119 10.368 -4.641 3.769 1.00 0.00 C ATOM 960 O GLU A 119 11.347 -3.951 4.053 1.00 0.00 O ATOM 961 CB GLU A 119 9.951 -4.467 1.249 1.00 0.00 C ATOM 962 CG GLU A 119 9.986 -5.196 -0.106 1.00 0.00 C ATOM 963 CD GLU A 119 11.247 -6.001 -0.351 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.344 -5.521 0.006 1.00 0.00 O ATOM 965 OE2 GLU A 119 11.147 -7.145 -0.842 1.00 0.00 O ATOM 0 H GLU A 119 8.525 -6.408 1.845 1.00 0.00 H new ATOM 0 HA GLU A 119 11.273 -5.802 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.964 -4.030 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.665 -3.644 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.126 -5.863 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.878 -4.461 -0.903 1.00 0.00 H new ATOM 972 N ASN A 120 9.425 -4.850 4.685 1.00 0.00 N ATOM 973 CA ASN A 120 9.515 -4.418 6.078 1.00 0.00 C ATOM 974 C ASN A 120 10.273 -5.422 6.980 1.00 0.00 C ATOM 975 O ASN A 120 10.471 -5.173 8.174 1.00 0.00 O ATOM 976 CB ASN A 120 8.115 -4.154 6.638 1.00 0.00 C ATOM 977 CG ASN A 120 7.213 -3.248 5.823 1.00 0.00 C ATOM 978 OD1 ASN A 120 6.004 -3.421 5.832 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.756 -2.253 5.149 1.00 0.00 N ATOM 0 H ASN A 120 8.554 -5.337 4.473 1.00 0.00 H new ATOM 0 HA ASN A 120 10.096 -3.496 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.612 -5.113 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.223 -3.721 7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.164 -1.611 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.768 -2.126 5.154 1.00 0.00 H new ATOM 986 N GLN A 121 10.693 -6.560 6.424 1.00 0.00 N ATOM 987 CA GLN A 121 11.263 -7.712 7.124 1.00 0.00 C ATOM 988 C GLN A 121 12.721 -7.987 6.707 1.00 0.00 C ATOM 989 O GLN A 121 13.580 -8.201 7.552 1.00 0.00 O ATOM 990 CB GLN A 121 10.338 -8.897 6.823 1.00 0.00 C ATOM 991 CG GLN A 121 10.543 -10.149 7.680 1.00 0.00 C ATOM 992 CD GLN A 121 9.424 -11.140 7.381 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.353 -11.064 7.961 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.621 -12.036 6.428 1.00 0.00 N ATOM 0 H GLN A 121 10.641 -6.710 5.416 1.00 0.00 H new ATOM 0 HA GLN A 121 11.316 -7.526 8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.307 -8.565 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.465 -9.174 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.512 -10.599 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.541 -9.886 8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.522 -12.086 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 121 8.871 -12.677 6.168 1.00 0.00 H new ATOM 1003 N LYS A 122 13.016 -7.964 5.403 1.00 0.00 N ATOM 1004 CA LYS A 122 14.308 -8.365 4.843 1.00 0.00 C ATOM 1005 C LYS A 122 15.547 -7.688 5.480 1.00 0.00 C ATOM 1006 O LYS A 122 15.510 -6.526 5.894 1.00 0.00 O ATOM 1007 CB LYS A 122 14.269 -8.115 3.327 1.00 0.00 C ATOM 1008 CG LYS A 122 13.411 -9.137 2.563 1.00 0.00 C ATOM 1009 CD LYS A 122 12.978 -8.570 1.203 1.00 0.00 C ATOM 1010 CE LYS A 122 14.113 -8.437 0.173 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.718 -7.538 -0.932 1.00 0.00 N ATOM 0 H LYS A 122 12.349 -7.660 4.694 1.00 0.00 H new ATOM 0 HA LYS A 122 14.439 -9.422 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.880 -7.114 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.286 -8.140 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 122 13.977 -10.057 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.531 -9.394 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.201 -9.212 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.530 -7.589 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.008 -8.050 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 122 14.366 -9.420 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.386 -7.645 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.760 -7.783 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.730 -6.553 -0.599 1.00 0.00 H new ATOM 1025 N LYS A 123 16.658 -8.432 5.492 1.00 0.00 N ATOM 1026 CA LYS A 123 18.028 -8.049 5.859 1.00 0.00 C ATOM 1027 C LYS A 123 18.484 -6.677 5.324 1.00 0.00 C ATOM 1028 O LYS A 123 19.011 -6.648 4.218 1.00 0.00 O ATOM 1029 CB LYS A 123 18.937 -9.149 5.248 1.00 0.00 C ATOM 1030 CG LYS A 123 20.468 -8.920 5.293 1.00 0.00 C ATOM 1031 CD LYS A 123 21.231 -9.536 4.095 1.00 0.00 C ATOM 1032 CE LYS A 123 20.841 -9.077 2.669 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.857 -7.608 2.475 1.00 0.00 N ATOM 0 H LYS A 123 16.618 -9.414 5.218 1.00 0.00 H new ATOM 0 HA LYS A 123 18.084 -7.962 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.722 -10.086 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.648 -9.283 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 123 20.664 -7.848 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 123 20.861 -9.343 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.292 -9.329 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.108 -10.618 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.525 -9.534 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 123 19.843 -9.451 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.441 -7.375 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.303 -7.152 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.838 -7.264 2.510 1.00 0.00 H new ATOM 1047 N LEU A 124 18.476 -5.594 6.115 1.00 0.00 N ATOM 1048 CA LEU A 124 19.579 -4.619 6.009 1.00 0.00 C ATOM 1049 C LEU A 124 20.762 -5.183 6.811 1.00 0.00 C ATOM 1050 O LEU A 124 20.629 -5.395 8.018 1.00 0.00 O ATOM 1051 CB LEU A 124 19.186 -3.188 6.436 1.00 0.00 C ATOM 1052 CG LEU A 124 20.186 -2.115 5.922 1.00 0.00 C ATOM 1053 CD1 LEU A 124 19.752 -0.686 6.230 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.600 -2.244 6.480 1.00 0.00 C ATOM 0 H LEU A 124 17.757 -5.374 6.804 1.00 0.00 H new ATOM 0 HA LEU A 124 19.858 -4.498 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.189 -2.961 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.133 -3.139 7.524 1.00 0.00 H new ATOM 0 HG LEU A 124 20.187 -2.309 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.495 0.011 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 124 18.789 -0.488 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 124 19.661 -0.558 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.228 -1.454 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 124 21.572 -2.154 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 124 22.012 -3.215 6.206 1.00 0.00 H new ATOM 1066 N TYR A 125 21.899 -5.489 6.182 1.00 0.00 N ATOM 1067 CA TYR A 125 23.062 -6.113 6.850 1.00 0.00 C ATOM 1068 C TYR A 125 23.848 -5.175 7.807 1.00 0.00 C ATOM 1069 O TYR A 125 25.066 -5.246 7.913 1.00 0.00 O ATOM 1070 CB TYR A 125 23.950 -6.787 5.785 1.00 0.00 C ATOM 1071 CG TYR A 125 24.199 -6.001 4.506 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.528 -4.631 4.548 1.00 0.00 C ATOM 1073 CD2 TYR A 125 24.089 -6.647 3.259 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.650 -3.903 3.355 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.175 -5.906 2.067 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.470 -4.535 2.119 1.00 0.00 C ATOM 1077 OH TYR A 125 24.580 -3.808 0.983 1.00 0.00 O ATOM 0 H TYR A 125 22.048 -5.313 5.188 1.00 0.00 H new ATOM 0 HA TYR A 125 22.680 -6.874 7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.915 -7.012 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.494 -7.740 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 125 24.686 -4.142 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.938 -7.716 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 125 24.884 -2.849 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.015 -6.390 1.115 1.00 0.00 H new ATOM 0 HH TYR A 125 24.184 -4.305 0.237 1.00 0.00 H new ATOM 1087 N ARG A 126 23.139 -4.296 8.516 1.00 0.00 N ATOM 1088 CA ARG A 126 23.656 -3.163 9.286 1.00 0.00 C ATOM 1089 C ARG A 126 24.538 -2.206 8.461 1.00 0.00 C ATOM 1090 O ARG A 126 24.103 -1.096 8.175 1.00 0.00 O ATOM 1091 CB ARG A 126 24.307 -3.598 10.609 1.00 0.00 C ATOM 1092 CG ARG A 126 23.395 -4.397 11.559 1.00 0.00 C ATOM 1093 CD ARG A 126 22.040 -3.735 11.868 1.00 0.00 C ATOM 1094 NE ARG A 126 21.031 -4.134 10.866 1.00 0.00 N ATOM 1095 CZ ARG A 126 19.701 -4.002 10.910 1.00 0.00 C ATOM 1096 NH1 ARG A 126 19.067 -3.339 11.856 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.974 -4.567 9.974 1.00 0.00 N ATOM 0 H ARG A 126 22.123 -4.360 8.572 1.00 0.00 H new ATOM 0 HA ARG A 126 22.782 -2.571 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 126 25.185 -4.202 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.659 -2.709 11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 126 23.212 -5.379 11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.926 -4.559 12.497 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.706 -4.024 12.865 1.00 0.00 H new ATOM 0 HD3 ARG A 126 22.150 -2.651 11.871 1.00 0.00 H new ATOM 0 HE ARG A 126 21.400 -4.572 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.594 -2.893 12.607 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.049 -3.272 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.425 -5.097 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.958 -4.476 9.993 1.00 0.00 H new ATOM 1284 N LEU B 68 16.773 14.759 4.097 1.00 0.00 N ATOM 1285 CA LEU B 68 17.714 13.733 3.641 1.00 0.00 C ATOM 1286 C LEU B 68 19.178 14.205 3.778 1.00 0.00 C ATOM 1287 O LEU B 68 19.913 14.411 2.812 1.00 0.00 O ATOM 1288 CB LEU B 68 17.311 13.161 2.263 1.00 0.00 C ATOM 1289 CG LEU B 68 16.742 11.722 2.344 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.416 11.673 3.110 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.505 11.196 0.925 1.00 0.00 C ATOM 0 HA LEU B 68 17.653 12.872 4.307 1.00 0.00 H new ATOM 0 HB2 LEU B 68 16.566 13.815 1.809 1.00 0.00 H new ATOM 0 HB3 LEU B 68 18.181 13.165 1.606 1.00 0.00 H new ATOM 0 HG LEU B 68 17.468 11.107 2.876 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.053 10.646 3.143 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.569 12.036 4.126 1.00 0.00 H new ATOM 0 HD13 LEU B 68 14.682 12.302 2.607 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.105 10.183 0.974 1.00 0.00 H new ATOM 0 HD22 LEU B 68 15.794 11.843 0.411 1.00 0.00 H new ATOM 0 HD23 LEU B 68 17.448 11.187 0.378 1.00 0.00 H new ATOM 1303 N SER B 69 19.606 14.383 5.026 1.00 0.00 N ATOM 1304 CA SER B 69 21.000 14.609 5.391 1.00 0.00 C ATOM 1305 C SER B 69 21.827 13.306 5.395 1.00 0.00 C ATOM 1306 O SER B 69 21.359 12.228 5.037 1.00 0.00 O ATOM 1307 CB SER B 69 21.023 15.298 6.756 1.00 0.00 C ATOM 1308 OG SER B 69 22.333 15.678 7.168 1.00 0.00 O ATOM 0 H SER B 69 18.977 14.374 5.829 1.00 0.00 H new ATOM 0 HA SER B 69 21.470 15.246 4.642 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.389 16.184 6.720 1.00 0.00 H new ATOM 0 HB3 SER B 69 20.594 14.629 7.502 1.00 0.00 H new ATOM 0 HG SER B 69 22.287 16.114 8.044 1.00 0.00 H new ATOM 1314 N ALA B 70 23.094 13.423 5.789 1.00 0.00 N ATOM 1315 CA ALA B 70 24.111 12.382 5.651 1.00 0.00 C ATOM 1316 C ALA B 70 23.709 11.019 6.241 1.00 0.00 C ATOM 1317 O ALA B 70 23.725 10.016 5.536 1.00 0.00 O ATOM 1318 CB ALA B 70 25.423 12.886 6.256 1.00 0.00 C ATOM 0 H ALA B 70 23.452 14.272 6.227 1.00 0.00 H new ATOM 0 HA ALA B 70 24.233 12.192 4.585 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.188 12.116 6.158 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.744 13.786 5.731 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.273 13.116 7.311 1.00 0.00 H new ATOM 1324 N CYS B 71 23.394 10.966 7.534 1.00 0.00 N ATOM 1325 CA CYS B 71 23.103 9.707 8.216 1.00 0.00 C ATOM 1326 C CYS B 71 21.869 8.988 7.647 1.00 0.00 C ATOM 1327 O CYS B 71 21.951 7.806 7.315 1.00 0.00 O ATOM 1328 CB CYS B 71 23.020 9.942 9.729 1.00 0.00 C ATOM 1329 SG CYS B 71 21.702 11.080 10.203 1.00 0.00 S ATOM 0 H CYS B 71 23.334 11.788 8.134 1.00 0.00 H new ATOM 0 HA CYS B 71 23.928 9.020 8.028 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.863 8.987 10.230 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.974 10.334 10.082 1.00 0.00 H new ATOM 0 HG CYS B 71 21.188 11.617 9.137 1.00 0.00 H new ATOM 1335 N GLU B 72 20.732 9.672 7.490 1.00 0.00 N ATOM 1336 CA GLU B 72 19.549 9.051 6.913 1.00 0.00 C ATOM 1337 C GLU B 72 19.780 8.632 5.454 1.00 0.00 C ATOM 1338 O GLU B 72 19.414 7.525 5.079 1.00 0.00 O ATOM 1339 CB GLU B 72 18.292 9.906 7.147 1.00 0.00 C ATOM 1340 CG GLU B 72 18.275 11.288 6.470 1.00 0.00 C ATOM 1341 CD GLU B 72 18.870 12.415 7.289 1.00 0.00 C ATOM 1342 OE1 GLU B 72 19.937 12.235 7.905 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.273 13.510 7.291 1.00 0.00 O ATOM 0 H GLU B 72 20.611 10.650 7.754 1.00 0.00 H new ATOM 0 HA GLU B 72 19.357 8.117 7.441 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.425 9.344 6.799 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.170 10.049 8.221 1.00 0.00 H new ATOM 0 HG2 GLU B 72 18.818 11.220 5.527 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.244 11.543 6.226 1.00 0.00 H new ATOM 1350 N VAL B 73 20.446 9.451 4.636 1.00 0.00 N ATOM 1351 CA VAL B 73 20.775 9.074 3.258 1.00 0.00 C ATOM 1352 C VAL B 73 21.701 7.849 3.215 1.00 0.00 C ATOM 1353 O VAL B 73 21.463 6.912 2.460 1.00 0.00 O ATOM 1354 CB VAL B 73 21.362 10.277 2.503 1.00 0.00 C ATOM 1355 CG1 VAL B 73 21.887 9.887 1.121 1.00 0.00 C ATOM 1356 CG2 VAL B 73 20.275 11.325 2.265 1.00 0.00 C ATOM 0 H VAL B 73 20.769 10.381 4.904 1.00 0.00 H new ATOM 0 HA VAL B 73 19.856 8.781 2.750 1.00 0.00 H new ATOM 0 HB VAL B 73 22.175 10.659 3.120 1.00 0.00 H new ATOM 0 HG11 VAL B 73 22.292 10.768 0.624 1.00 0.00 H new ATOM 0 HG12 VAL B 73 22.671 9.138 1.228 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.072 9.477 0.525 1.00 0.00 H new ATOM 0 HG21 VAL B 73 20.699 12.174 1.729 1.00 0.00 H new ATOM 0 HG22 VAL B 73 19.471 10.887 1.673 1.00 0.00 H new ATOM 0 HG23 VAL B 73 19.878 11.662 3.223 1.00 0.00 H new ATOM 1366 N ALA B 74 22.742 7.831 4.051 1.00 0.00 N ATOM 1367 CA ALA B 74 23.658 6.695 4.131 1.00 0.00 C ATOM 1368 C ALA B 74 22.907 5.410 4.504 1.00 0.00 C ATOM 1369 O ALA B 74 23.081 4.354 3.904 1.00 0.00 O ATOM 1370 CB ALA B 74 24.760 7.009 5.150 1.00 0.00 C ATOM 0 H ALA B 74 22.971 8.596 4.685 1.00 0.00 H new ATOM 0 HA ALA B 74 24.113 6.529 3.155 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.447 6.165 5.215 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.306 7.898 4.833 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.312 7.187 6.127 1.00 0.00 H new ATOM 1376 N VAL B 75 22.033 5.504 5.503 1.00 0.00 N ATOM 1377 CA VAL B 75 21.245 4.356 5.932 1.00 0.00 C ATOM 1378 C VAL B 75 20.197 3.947 4.869 1.00 0.00 C ATOM 1379 O VAL B 75 19.951 2.758 4.655 1.00 0.00 O ATOM 1380 CB VAL B 75 20.699 4.616 7.345 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.670 3.566 7.763 1.00 0.00 C ATOM 1382 CG2 VAL B 75 21.880 4.559 8.324 1.00 0.00 C ATOM 0 H VAL B 75 21.854 6.360 6.028 1.00 0.00 H new ATOM 0 HA VAL B 75 21.874 3.469 6.011 1.00 0.00 H new ATOM 0 HB VAL B 75 20.207 5.589 7.354 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.311 3.788 8.768 1.00 0.00 H new ATOM 0 HG12 VAL B 75 18.832 3.581 7.066 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.133 2.579 7.753 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.522 4.740 9.337 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.346 3.575 8.275 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.612 5.321 8.056 1.00 0.00 H new ATOM 1392 N LEU B 76 19.607 4.919 4.163 1.00 0.00 N ATOM 1393 CA LEU B 76 18.725 4.693 3.015 1.00 0.00 C ATOM 1394 C LEU B 76 19.409 3.863 1.914 1.00 0.00 C ATOM 1395 O LEU B 76 18.874 2.867 1.419 1.00 0.00 O ATOM 1396 CB LEU B 76 18.163 6.009 2.467 1.00 0.00 C ATOM 1397 CG LEU B 76 17.046 6.692 3.293 1.00 0.00 C ATOM 1398 CD1 LEU B 76 15.837 6.972 2.395 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.550 5.960 4.549 1.00 0.00 C ATOM 0 H LEU B 76 19.734 5.907 4.380 1.00 0.00 H new ATOM 0 HA LEU B 76 17.881 4.104 3.375 1.00 0.00 H new ATOM 0 HB2 LEU B 76 18.988 6.714 2.365 1.00 0.00 H new ATOM 0 HB3 LEU B 76 17.777 5.822 1.465 1.00 0.00 H new ATOM 0 HG LEU B 76 17.527 7.597 3.665 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.053 7.453 2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.135 7.629 1.578 1.00 0.00 H new ATOM 0 HD13 LEU B 76 15.462 6.033 1.987 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.769 6.550 5.030 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.148 4.987 4.268 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.380 5.823 5.242 1.00 0.00 H new ATOM 1411 N ASP B 77 20.629 4.257 1.565 1.00 0.00 N ATOM 1412 CA ASP B 77 21.438 3.547 0.586 1.00 0.00 C ATOM 1413 C ASP B 77 21.665 2.103 1.052 1.00 0.00 C ATOM 1414 O ASP B 77 21.385 1.147 0.330 1.00 0.00 O ATOM 1415 CB ASP B 77 22.749 4.315 0.373 1.00 0.00 C ATOM 1416 CG ASP B 77 23.727 3.483 -0.431 1.00 0.00 C ATOM 1417 OD1 ASP B 77 24.447 2.688 0.207 1.00 0.00 O ATOM 1418 OD2 ASP B 77 23.712 3.604 -1.671 1.00 0.00 O ATOM 0 H ASP B 77 21.085 5.082 1.956 1.00 0.00 H new ATOM 0 HA ASP B 77 20.926 3.493 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP B 77 22.548 5.252 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP B 77 23.188 4.572 1.337 1.00 0.00 H new ATOM 1423 N LEU B 78 22.067 1.923 2.312 1.00 0.00 N ATOM 1424 CA LEU B 78 22.295 0.600 2.850 1.00 0.00 C ATOM 1425 C LEU B 78 21.039 -0.283 2.812 1.00 0.00 C ATOM 1426 O LEU B 78 21.183 -1.498 2.656 1.00 0.00 O ATOM 1427 CB LEU B 78 22.922 0.708 4.240 1.00 0.00 C ATOM 1428 CG LEU B 78 24.339 1.306 4.217 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.742 1.675 5.644 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.374 0.329 3.647 1.00 0.00 C ATOM 0 H LEU B 78 22.239 2.683 2.971 1.00 0.00 H new ATOM 0 HA LEU B 78 23.006 0.084 2.205 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.284 1.325 4.873 1.00 0.00 H new ATOM 0 HB3 LEU B 78 22.959 -0.283 4.693 1.00 0.00 H new ATOM 0 HG LEU B 78 24.319 2.184 3.571 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.746 2.100 5.640 1.00 0.00 H new ATOM 0 HD12 LEU B 78 24.039 2.407 6.043 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.729 0.782 6.268 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.358 0.798 3.652 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.399 -0.573 4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.102 0.067 2.625 1.00 0.00 H new ATOM 1442 N TYR B 79 19.811 0.262 2.896 1.00 0.00 N ATOM 1443 CA TYR B 79 18.611 -0.502 2.556 1.00 0.00 C ATOM 1444 C TYR B 79 18.644 -1.027 1.110 1.00 0.00 C ATOM 1445 O TYR B 79 18.537 -2.240 0.910 1.00 0.00 O ATOM 1446 CB TYR B 79 17.319 0.295 2.781 1.00 0.00 C ATOM 1447 CG TYR B 79 16.943 0.607 4.203 1.00 0.00 C ATOM 1448 CD1 TYR B 79 16.627 -0.420 5.110 1.00 0.00 C ATOM 1449 CD2 TYR B 79 16.826 1.934 4.609 1.00 0.00 C ATOM 1450 CE1 TYR B 79 16.584 -0.120 6.485 1.00 0.00 C ATOM 1451 CE2 TYR B 79 16.799 2.239 5.973 1.00 0.00 C ATOM 1452 CZ TYR B 79 16.840 1.199 6.904 1.00 0.00 C ATOM 1453 OH TYR B 79 16.915 1.478 8.232 1.00 0.00 O ATOM 0 H TYR B 79 19.631 1.221 3.194 1.00 0.00 H new ATOM 0 HA TYR B 79 18.611 -1.353 3.237 1.00 0.00 H new ATOM 0 HB2 TYR B 79 17.405 1.237 2.240 1.00 0.00 H new ATOM 0 HB3 TYR B 79 16.497 -0.259 2.328 1.00 0.00 H new ATOM 0 HD1 TYR B 79 16.421 -1.420 4.759 1.00 0.00 H new ATOM 0 HD2 TYR B 79 16.757 2.723 3.874 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.358 -0.890 7.207 1.00 0.00 H new ATOM 0 HE2 TYR B 79 16.747 3.266 6.303 1.00 0.00 H new ATOM 0 HH TYR B 79 17.098 2.433 8.356 1.00 0.00 H new ATOM 1463 N GLU B 80 18.801 -0.171 0.100 1.00 0.00 N ATOM 1464 CA GLU B 80 18.694 -0.639 -1.290 1.00 0.00 C ATOM 1465 C GLU B 80 19.907 -1.463 -1.747 1.00 0.00 C ATOM 1466 O GLU B 80 19.763 -2.542 -2.319 1.00 0.00 O ATOM 1467 CB GLU B 80 18.342 0.509 -2.244 1.00 0.00 C ATOM 1468 CG GLU B 80 16.852 0.892 -2.128 1.00 0.00 C ATOM 1469 CD GLU B 80 15.845 -0.115 -2.704 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.211 -1.296 -2.913 1.00 0.00 O ATOM 1471 OE2 GLU B 80 14.692 0.315 -2.915 1.00 0.00 O ATOM 0 H GLU B 80 18.997 0.824 0.208 1.00 0.00 H new ATOM 0 HA GLU B 80 17.859 -1.339 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU B 80 18.962 1.376 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU B 80 18.566 0.215 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU B 80 16.619 1.045 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU B 80 16.704 1.849 -2.629 1.00 0.00 H new ATOM 1478 N GLN B 81 21.117 -1.072 -1.355 1.00 0.00 N ATOM 1479 CA GLN B 81 22.281 -1.960 -1.445 1.00 0.00 C ATOM 1480 C GLN B 81 22.084 -3.276 -0.659 1.00 0.00 C ATOM 1481 O GLN B 81 22.697 -4.305 -0.963 1.00 0.00 O ATOM 1482 CB GLN B 81 23.559 -1.226 -1.022 1.00 0.00 C ATOM 1483 CG GLN B 81 23.902 -0.069 -1.975 1.00 0.00 C ATOM 1484 CD GLN B 81 25.408 0.132 -2.093 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.080 -0.586 -2.826 1.00 0.00 O ATOM 1486 NE2 GLN B 81 25.983 1.073 -1.374 1.00 0.00 N ATOM 0 H GLN B 81 21.320 -0.149 -0.972 1.00 0.00 H new ATOM 0 HA GLN B 81 22.389 -2.248 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.436 -0.838 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.390 -1.931 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN B 81 23.483 -0.272 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN B 81 23.439 0.850 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN B 81 25.419 1.667 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN B 81 26.993 1.208 -1.425 1.00 0.00 H new ATOM 1495 N SER B 82 21.212 -3.290 0.354 1.00 0.00 N ATOM 1496 CA SER B 82 20.738 -4.521 0.982 1.00 0.00 C ATOM 1497 C SER B 82 19.584 -5.237 0.248 1.00 0.00 C ATOM 1498 O SER B 82 19.336 -6.401 0.582 1.00 0.00 O ATOM 1499 CB SER B 82 20.359 -4.278 2.441 1.00 0.00 C ATOM 1500 OG SER B 82 21.518 -4.301 3.260 1.00 0.00 O ATOM 0 H SER B 82 20.815 -2.443 0.761 1.00 0.00 H new ATOM 0 HA SER B 82 21.587 -5.201 0.918 1.00 0.00 H new ATOM 0 HB2 SER B 82 19.856 -3.316 2.538 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.655 -5.041 2.773 1.00 0.00 H new ATOM 0 HG SER B 82 22.311 -4.443 2.701 1.00 0.00 H new ATOM 1506 N ASN B 83 18.895 -4.567 -0.680 1.00 0.00 N ATOM 1507 CA ASN B 83 17.687 -4.942 -1.427 1.00 0.00 C ATOM 1508 C ASN B 83 16.384 -4.735 -0.627 1.00 0.00 C ATOM 1509 O ASN B 83 15.530 -5.618 -0.580 1.00 0.00 O ATOM 1510 CB ASN B 83 17.816 -6.347 -2.043 1.00 0.00 C ATOM 1511 CG ASN B 83 16.659 -6.674 -2.979 1.00 0.00 C ATOM 1512 OD1 ASN B 83 15.844 -7.551 -2.703 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.545 -5.973 -4.093 1.00 0.00 N ATOM 0 H ASN B 83 19.207 -3.637 -0.960 1.00 0.00 H new ATOM 0 HA ASN B 83 17.605 -4.246 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN B 83 18.755 -6.416 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN B 83 17.857 -7.089 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN B 83 15.774 -6.157 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.228 -5.247 -4.311 1.00 0.00 H new ATOM 1520 N ILE B 84 16.251 -3.598 0.054 1.00 0.00 N ATOM 1521 CA ILE B 84 15.054 -3.150 0.769 1.00 0.00 C ATOM 1522 C ILE B 84 14.691 -1.734 0.281 1.00 0.00 C ATOM 1523 O ILE B 84 15.504 -0.836 0.453 1.00 0.00 O ATOM 1524 CB ILE B 84 15.348 -3.106 2.292 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.411 -4.481 2.969 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.271 -2.307 3.046 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.613 -5.348 2.608 1.00 0.00 C ATOM 0 H ILE B 84 17.016 -2.927 0.127 1.00 0.00 H new ATOM 0 HA ILE B 84 14.229 -3.836 0.580 1.00 0.00 H new ATOM 0 HB ILE B 84 16.330 -2.637 2.350 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.406 -4.333 4.049 1.00 0.00 H new ATOM 0 HG13 ILE B 84 14.503 -5.030 2.718 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.506 -2.295 4.110 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.245 -1.285 2.668 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.298 -2.775 2.894 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.553 -6.295 3.144 1.00 0.00 H new ATOM 0 HD12 ILE B 84 16.615 -5.538 1.535 1.00 0.00 H new ATOM 0 HD13 ILE B 84 17.531 -4.831 2.886 1.00 0.00 H new ATOM 1539 N ARG B 85 13.462 -1.483 -0.183 1.00 0.00 N ATOM 1540 CA ARG B 85 12.963 -0.101 -0.260 1.00 0.00 C ATOM 1541 C ARG B 85 12.400 0.328 1.111 1.00 0.00 C ATOM 1542 O ARG B 85 11.983 -0.518 1.908 1.00 0.00 O ATOM 1543 CB ARG B 85 11.942 0.057 -1.410 1.00 0.00 C ATOM 1544 CG ARG B 85 11.856 1.510 -1.935 1.00 0.00 C ATOM 1545 CD ARG B 85 10.466 2.174 -1.928 1.00 0.00 C ATOM 1546 NE ARG B 85 9.523 1.518 -2.863 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.620 2.134 -3.645 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.352 3.416 -3.511 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.987 1.463 -4.585 1.00 0.00 N ATOM 0 H ARG B 85 12.807 -2.196 -0.504 1.00 0.00 H new ATOM 0 HA ARG B 85 13.788 0.571 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.219 -0.606 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG B 85 10.958 -0.259 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG B 85 12.529 2.126 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.233 1.524 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.055 2.141 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG B 85 10.567 3.226 -2.196 1.00 0.00 H new ATOM 0 HE ARG B 85 9.563 0.500 -2.919 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.834 3.966 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.662 3.859 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.181 0.471 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.303 1.935 -5.176 1.00 0.00 H new ATOM 1563 N ILE B 86 12.365 1.626 1.415 1.00 0.00 N ATOM 1564 CA ILE B 86 11.686 2.187 2.591 1.00 0.00 C ATOM 1565 C ILE B 86 10.386 2.891 2.172 1.00 0.00 C ATOM 1566 O ILE B 86 10.445 3.708 1.258 1.00 0.00 O ATOM 1567 CB ILE B 86 12.633 3.144 3.337 1.00 0.00 C ATOM 1568 CG1 ILE B 86 13.660 2.380 4.189 1.00 0.00 C ATOM 1569 CG2 ILE B 86 11.880 4.140 4.225 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.098 1.685 5.440 1.00 0.00 C ATOM 0 H ILE B 86 12.818 2.336 0.839 1.00 0.00 H new ATOM 0 HA ILE B 86 11.418 1.379 3.272 1.00 0.00 H new ATOM 0 HB ILE B 86 13.157 3.703 2.562 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.139 1.628 3.562 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.438 3.077 4.501 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.595 4.791 4.728 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.211 4.742 3.610 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.298 3.596 4.969 1.00 0.00 H new ATOM 0 HD11 ILE B 86 13.905 1.177 5.967 1.00 0.00 H new ATOM 0 HD12 ILE B 86 12.647 2.428 6.097 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.343 0.957 5.143 1.00 0.00 H new ATOM 1582 N PRO B 87 9.236 2.609 2.821 1.00 0.00 N ATOM 1583 CA PRO B 87 8.023 3.378 2.599 1.00 0.00 C ATOM 1584 C PRO B 87 8.258 4.866 2.869 1.00 0.00 C ATOM 1585 O PRO B 87 8.720 5.240 3.954 1.00 0.00 O ATOM 1586 CB PRO B 87 6.961 2.804 3.546 1.00 0.00 C ATOM 1587 CG PRO B 87 7.472 1.394 3.833 1.00 0.00 C ATOM 1588 CD PRO B 87 8.990 1.577 3.814 1.00 0.00 C ATOM 0 HA PRO B 87 7.698 3.302 1.561 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.874 3.394 4.458 1.00 0.00 H new ATOM 0 HB3 PRO B 87 5.975 2.788 3.082 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.121 1.024 4.796 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.140 0.681 3.078 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.363 1.876 4.794 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.496 0.648 3.550 1.00 0.00 H new ATOM 1596 N SER B 88 7.919 5.720 1.911 1.00 0.00 N ATOM 1597 CA SER B 88 7.924 7.164 2.091 1.00 0.00 C ATOM 1598 C SER B 88 7.174 7.566 3.366 1.00 0.00 C ATOM 1599 O SER B 88 7.639 8.433 4.099 1.00 0.00 O ATOM 1600 CB SER B 88 7.381 7.842 0.832 1.00 0.00 C ATOM 1601 OG SER B 88 6.049 7.452 0.585 1.00 0.00 O ATOM 0 H SER B 88 7.630 5.425 0.978 1.00 0.00 H new ATOM 0 HA SER B 88 8.948 7.510 2.230 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.432 8.925 0.947 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.005 7.582 -0.023 1.00 0.00 H new ATOM 0 HG SER B 88 6.034 6.528 0.258 1.00 0.00 H new ATOM 1607 N ASP B 89 6.096 6.859 3.709 1.00 0.00 N ATOM 1608 CA ASP B 89 5.298 7.030 4.921 1.00 0.00 C ATOM 1609 C ASP B 89 6.063 7.016 6.265 1.00 0.00 C ATOM 1610 O ASP B 89 5.516 7.425 7.285 1.00 0.00 O ATOM 1611 CB ASP B 89 4.266 5.896 4.937 1.00 0.00 C ATOM 1612 CG ASP B 89 3.491 5.712 3.655 1.00 0.00 C ATOM 1613 OD1 ASP B 89 4.033 5.017 2.778 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.335 6.177 3.581 1.00 0.00 O ATOM 0 H ASP B 89 5.738 6.111 3.115 1.00 0.00 H new ATOM 0 HA ASP B 89 4.872 8.032 4.863 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.779 4.963 5.169 1.00 0.00 H new ATOM 0 HB3 ASP B 89 3.560 6.081 5.746 1.00 0.00 H new ATOM 1619 N ILE B 90 7.290 6.490 6.321 1.00 0.00 N ATOM 1620 CA ILE B 90 8.134 6.569 7.528 1.00 0.00 C ATOM 1621 C ILE B 90 9.278 7.582 7.378 1.00 0.00 C ATOM 1622 O ILE B 90 9.720 8.183 8.357 1.00 0.00 O ATOM 1623 CB ILE B 90 8.560 5.164 7.992 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.141 4.269 6.894 1.00 0.00 C ATOM 1625 CG2 ILE B 90 7.320 4.538 8.652 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.889 3.076 7.509 1.00 0.00 C ATOM 0 H ILE B 90 7.728 6.000 5.541 1.00 0.00 H new ATOM 0 HA ILE B 90 7.537 6.976 8.344 1.00 0.00 H new ATOM 0 HB ILE B 90 9.392 5.258 8.689 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.340 3.909 6.248 1.00 0.00 H new ATOM 0 HG13 ILE B 90 9.820 4.847 6.267 1.00 0.00 H new ATOM 0 HG21 ILE B 90 7.562 3.535 9.003 1.00 0.00 H new ATOM 0 HG22 ILE B 90 7.008 5.152 9.496 1.00 0.00 H new ATOM 0 HG23 ILE B 90 6.510 4.482 7.925 1.00 0.00 H new ATOM 0 HD11 ILE B 90 10.295 2.451 6.713 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.703 3.441 8.135 1.00 0.00 H new ATOM 0 HD13 ILE B 90 9.200 2.488 8.116 1.00 0.00 H new ATOM 1638 N ILE B 91 9.698 7.872 6.145 1.00 0.00 N ATOM 1639 CA ILE B 91 10.524 9.048 5.880 1.00 0.00 C ATOM 1640 C ILE B 91 9.744 10.337 6.219 1.00 0.00 C ATOM 1641 O ILE B 91 10.317 11.262 6.796 1.00 0.00 O ATOM 1642 CB ILE B 91 11.037 9.005 4.424 1.00 0.00 C ATOM 1643 CG1 ILE B 91 11.835 7.704 4.196 1.00 0.00 C ATOM 1644 CG2 ILE B 91 11.916 10.228 4.121 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.186 7.422 2.731 1.00 0.00 C ATOM 0 H ILE B 91 9.481 7.312 5.320 1.00 0.00 H new ATOM 0 HA ILE B 91 11.403 9.046 6.525 1.00 0.00 H new ATOM 0 HB ILE B 91 10.182 9.027 3.749 1.00 0.00 H new ATOM 0 HG12 ILE B 91 12.758 7.752 4.775 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.258 6.866 4.586 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.267 10.178 3.090 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.334 11.139 4.262 1.00 0.00 H new ATOM 0 HG23 ILE B 91 12.772 10.237 4.796 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.746 6.489 2.664 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.270 7.338 2.147 1.00 0.00 H new ATOM 0 HD13 ILE B 91 12.792 8.238 2.339 1.00 0.00 H new ATOM 1657 N GLU B 92 8.434 10.356 5.918 1.00 0.00 N ATOM 1658 CA GLU B 92 7.428 11.355 6.292 1.00 0.00 C ATOM 1659 C GLU B 92 7.661 11.932 7.696 1.00 0.00 C ATOM 1660 O GLU B 92 7.754 13.145 7.864 1.00 0.00 O ATOM 1661 CB GLU B 92 6.056 10.664 6.177 1.00 0.00 C ATOM 1662 CG GLU B 92 4.843 11.538 6.547 1.00 0.00 C ATOM 1663 CD GLU B 92 3.531 10.783 6.377 1.00 0.00 C ATOM 1664 OE1 GLU B 92 3.134 10.563 5.216 1.00 0.00 O ATOM 1665 OE2 GLU B 92 2.928 10.368 7.388 1.00 0.00 O ATOM 0 H GLU B 92 8.021 9.609 5.360 1.00 0.00 H new ATOM 0 HA GLU B 92 7.488 12.215 5.625 1.00 0.00 H new ATOM 0 HB2 GLU B 92 5.930 10.312 5.153 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.057 9.783 6.819 1.00 0.00 H new ATOM 0 HG2 GLU B 92 4.938 11.874 7.580 1.00 0.00 H new ATOM 0 HG3 GLU B 92 4.833 12.430 5.921 1.00 0.00 H new ATOM 1672 N ASP B 93 7.803 11.038 8.677 1.00 0.00 N ATOM 1673 CA ASP B 93 8.141 11.312 10.067 1.00 0.00 C ATOM 1674 C ASP B 93 9.656 11.570 10.232 1.00 0.00 C ATOM 1675 O ASP B 93 10.104 12.672 10.576 1.00 0.00 O ATOM 1676 CB ASP B 93 7.634 10.086 10.853 1.00 0.00 C ATOM 1677 CG ASP B 93 8.226 9.949 12.238 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.462 10.986 12.888 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.496 8.794 12.627 1.00 0.00 O ATOM 0 H ASP B 93 7.676 10.041 8.506 1.00 0.00 H new ATOM 0 HA ASP B 93 7.674 12.222 10.444 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.549 10.146 10.938 1.00 0.00 H new ATOM 0 HB3 ASP B 93 7.859 9.185 10.283 1.00 0.00 H new ATOM 1684 N LEU B 94 10.462 10.537 9.971 1.00 0.00 N ATOM 1685 CA LEU B 94 11.880 10.473 10.339 1.00 0.00 C ATOM 1686 C LEU B 94 12.687 11.692 9.876 1.00 0.00 C ATOM 1687 O LEU B 94 13.490 12.255 10.623 1.00 0.00 O ATOM 1688 CB LEU B 94 12.476 9.172 9.785 1.00 0.00 C ATOM 1689 CG LEU B 94 13.891 8.791 10.267 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.955 9.234 9.268 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.316 9.289 11.656 1.00 0.00 C ATOM 0 H LEU B 94 10.138 9.700 9.485 1.00 0.00 H new ATOM 0 HA LEU B 94 11.942 10.484 11.427 1.00 0.00 H new ATOM 0 HB2 LEU B 94 11.800 8.355 10.038 1.00 0.00 H new ATOM 0 HB3 LEU B 94 12.496 9.244 8.698 1.00 0.00 H new ATOM 0 HG LEU B 94 13.819 7.706 10.346 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.941 8.951 9.637 1.00 0.00 H new ATOM 0 HD12 LEU B 94 14.775 8.752 8.307 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.911 10.316 9.145 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.330 8.951 11.869 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.285 10.378 11.677 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.635 8.892 12.409 1.00 0.00 H new ATOM 1703 N VAL B 95 12.472 12.133 8.639 1.00 0.00 N ATOM 1704 CA VAL B 95 13.228 13.250 8.083 1.00 0.00 C ATOM 1705 C VAL B 95 12.968 14.604 8.784 1.00 0.00 C ATOM 1706 O VAL B 95 13.750 15.539 8.619 1.00 0.00 O ATOM 1707 CB VAL B 95 13.059 13.266 6.556 1.00 0.00 C ATOM 1708 CG1 VAL B 95 11.870 14.102 6.090 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.332 13.791 5.902 1.00 0.00 C ATOM 0 H VAL B 95 11.781 11.734 8.004 1.00 0.00 H new ATOM 0 HA VAL B 95 14.285 13.090 8.295 1.00 0.00 H new ATOM 0 HB VAL B 95 12.865 12.237 6.253 1.00 0.00 H new ATOM 0 HG11 VAL B 95 11.808 14.071 5.002 1.00 0.00 H new ATOM 0 HG12 VAL B 95 10.952 13.699 6.518 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.000 15.134 6.417 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.207 13.801 4.819 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.531 14.804 6.253 1.00 0.00 H new ATOM 0 HG23 VAL B 95 15.169 13.145 6.165 1.00 0.00 H new ATOM 1719 N ASN B 96 11.930 14.707 9.626 1.00 0.00 N ATOM 1720 CA ASN B 96 11.797 15.787 10.613 1.00 0.00 C ATOM 1721 C ASN B 96 12.540 15.441 11.909 1.00 0.00 C ATOM 1722 O ASN B 96 13.273 16.263 12.456 1.00 0.00 O ATOM 1723 CB ASN B 96 10.327 16.071 10.949 1.00 0.00 C ATOM 1724 CG ASN B 96 9.450 16.118 9.715 1.00 0.00 C ATOM 1725 OD1 ASN B 96 9.310 17.143 9.063 1.00 0.00 O ATOM 1726 ND2 ASN B 96 8.859 14.987 9.398 1.00 0.00 N ATOM 0 H ASN B 96 11.157 14.042 9.641 1.00 0.00 H new ATOM 0 HA ASN B 96 12.236 16.677 10.163 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.957 15.301 11.625 1.00 0.00 H new ATOM 0 HB3 ASN B 96 10.255 17.021 11.478 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.254 14.940 8.578 1.00 0.00 H new ATOM 0 HD22 ASN B 96 9.005 14.157 9.972 1.00 0.00 H new ATOM 1733 N GLN B 97 12.341 14.216 12.413 1.00 0.00 N ATOM 1734 CA GLN B 97 12.959 13.724 13.647 1.00 0.00 C ATOM 1735 C GLN B 97 14.471 13.973 13.684 1.00 0.00 C ATOM 1736 O GLN B 97 14.998 14.430 14.699 1.00 0.00 O ATOM 1737 CB GLN B 97 12.673 12.228 13.841 1.00 0.00 C ATOM 1738 CG GLN B 97 11.178 11.890 13.902 1.00 0.00 C ATOM 1739 CD GLN B 97 10.484 12.347 15.177 1.00 0.00 C ATOM 1740 OE1 GLN B 97 11.112 12.814 16.125 1.00 0.00 O ATOM 1741 NE2 GLN B 97 9.174 12.227 15.215 1.00 0.00 N ATOM 0 H GLN B 97 11.735 13.529 11.965 1.00 0.00 H new ATOM 0 HA GLN B 97 12.511 14.287 14.466 1.00 0.00 H new ATOM 0 HB2 GLN B 97 13.130 11.671 13.023 1.00 0.00 H new ATOM 0 HB3 GLN B 97 13.151 11.892 14.761 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.679 12.346 13.047 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.057 10.811 13.803 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.674 11.837 14.416 1.00 0.00 H new ATOM 0 HE22 GLN B 97 8.658 12.524 16.043 1.00 0.00 H new ATOM 1750 N ARG B 98 15.170 13.664 12.588 1.00 0.00 N ATOM 1751 CA ARG B 98 16.574 14.032 12.369 1.00 0.00 C ATOM 1752 C ARG B 98 17.479 13.641 13.550 1.00 0.00 C ATOM 1753 O ARG B 98 17.853 14.473 14.379 1.00 0.00 O ATOM 1754 CB ARG B 98 16.653 15.531 12.034 1.00 0.00 C ATOM 1755 CG ARG B 98 16.077 15.798 10.636 1.00 0.00 C ATOM 1756 CD ARG B 98 17.150 16.095 9.581 1.00 0.00 C ATOM 1757 NE ARG B 98 18.165 15.020 9.495 1.00 0.00 N ATOM 1758 CZ ARG B 98 19.405 15.022 9.991 1.00 0.00 C ATOM 1759 NH1 ARG B 98 19.919 16.083 10.572 1.00 0.00 N ATOM 1760 NH2 ARG B 98 20.203 13.983 9.887 1.00 0.00 N ATOM 0 H ARG B 98 14.768 13.140 11.811 1.00 0.00 H new ATOM 0 HA ARG B 98 16.958 13.463 11.522 1.00 0.00 H new ATOM 0 HB2 ARG B 98 16.101 16.106 12.778 1.00 0.00 H new ATOM 0 HB3 ARG B 98 17.689 15.866 12.077 1.00 0.00 H new ATOM 0 HG2 ARG B 98 15.496 14.932 10.319 1.00 0.00 H new ATOM 0 HG3 ARG B 98 15.388 16.641 10.690 1.00 0.00 H new ATOM 0 HD2 ARG B 98 16.675 16.222 8.608 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.642 17.038 9.821 1.00 0.00 H new ATOM 0 HE ARG B 98 17.883 14.176 8.997 1.00 0.00 H new ATOM 0 HH11 ARG B 98 19.367 16.937 10.654 1.00 0.00 H new ATOM 0 HH12 ARG B 98 20.869 16.052 10.941 1.00 0.00 H new ATOM 0 HH21 ARG B 98 19.881 13.138 9.415 1.00 0.00 H new ATOM 0 HH22 ARG B 98 21.144 14.022 10.278 1.00 0.00 H new ATOM 1774 N LEU B 99 17.794 12.353 13.649 1.00 0.00 N ATOM 1775 CA LEU B 99 18.684 11.799 14.670 1.00 0.00 C ATOM 1776 C LEU B 99 20.157 12.016 14.267 1.00 0.00 C ATOM 1777 O LEU B 99 20.423 12.384 13.123 1.00 0.00 O ATOM 1778 CB LEU B 99 18.311 10.329 14.907 1.00 0.00 C ATOM 1779 CG LEU B 99 16.792 10.066 14.955 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.513 8.606 15.309 1.00 0.00 C ATOM 1781 CD2 LEU B 99 16.084 10.951 15.982 1.00 0.00 C ATOM 0 H LEU B 99 17.430 11.648 13.008 1.00 0.00 H new ATOM 0 HA LEU B 99 18.561 12.317 15.621 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.749 9.722 14.115 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.756 9.999 15.846 1.00 0.00 H new ATOM 0 HG LEU B 99 16.406 10.301 13.963 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.436 8.438 15.339 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.961 7.957 14.556 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.942 8.380 16.285 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.017 10.729 15.979 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.492 10.756 16.974 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.238 11.999 15.726 1.00 0.00 H new ATOM 1793 N GLN B 100 21.120 11.878 15.184 1.00 0.00 N ATOM 1794 CA GLN B 100 22.503 12.248 14.860 1.00 0.00 C ATOM 1795 C GLN B 100 23.149 11.192 13.957 1.00 0.00 C ATOM 1796 O GLN B 100 23.545 11.475 12.828 1.00 0.00 O ATOM 1797 CB GLN B 100 23.326 12.494 16.137 1.00 0.00 C ATOM 1798 CG GLN B 100 24.488 13.476 15.922 1.00 0.00 C ATOM 1799 CD GLN B 100 25.521 13.074 14.872 1.00 0.00 C ATOM 1800 OE1 GLN B 100 25.993 11.947 14.820 1.00 0.00 O ATOM 1801 NE2 GLN B 100 25.923 14.012 14.033 1.00 0.00 N ATOM 0 H GLN B 100 20.976 11.524 16.130 1.00 0.00 H new ATOM 0 HA GLN B 100 22.486 13.187 14.306 1.00 0.00 H new ATOM 0 HB2 GLN B 100 22.670 12.881 16.917 1.00 0.00 H new ATOM 0 HB3 GLN B 100 23.722 11.544 16.496 1.00 0.00 H new ATOM 0 HG2 GLN B 100 24.072 14.444 15.641 1.00 0.00 H new ATOM 0 HG3 GLN B 100 25.002 13.614 16.874 1.00 0.00 H new ATOM 0 HE21 GLN B 100 25.523 14.949 14.085 1.00 0.00 H new ATOM 0 HE22 GLN B 100 26.634 13.800 13.333 1.00 0.00 H new ATOM 1810 N SER B 101 23.268 9.973 14.470 1.00 0.00 N ATOM 1811 CA SER B 101 24.020 8.907 13.827 1.00 0.00 C ATOM 1812 C SER B 101 23.177 8.002 12.919 1.00 0.00 C ATOM 1813 O SER B 101 22.003 7.727 13.166 1.00 0.00 O ATOM 1814 CB SER B 101 24.723 8.066 14.895 1.00 0.00 C ATOM 1815 OG SER B 101 25.452 7.009 14.282 1.00 0.00 O ATOM 0 H SER B 101 22.840 9.696 15.353 1.00 0.00 H new ATOM 0 HA SER B 101 24.745 9.392 13.173 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.397 8.693 15.478 1.00 0.00 H new ATOM 0 HB3 SER B 101 23.989 7.657 15.589 1.00 0.00 H new ATOM 0 HG SER B 101 25.938 7.355 13.504 1.00 0.00 H new ATOM 1821 N GLU B 102 23.858 7.456 11.917 1.00 0.00 N ATOM 1822 CA GLU B 102 23.550 6.240 11.184 1.00 0.00 C ATOM 1823 C GLU B 102 22.913 5.179 12.095 1.00 0.00 C ATOM 1824 O GLU B 102 21.886 4.585 11.778 1.00 0.00 O ATOM 1825 CB GLU B 102 24.848 5.711 10.544 1.00 0.00 C ATOM 1826 CG GLU B 102 25.716 6.801 9.875 1.00 0.00 C ATOM 1827 CD GLU B 102 26.810 7.372 10.776 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.498 7.858 11.886 1.00 0.00 O ATOM 1829 OE2 GLU B 102 28.003 7.353 10.406 1.00 0.00 O ATOM 0 H GLU B 102 24.712 7.893 11.570 1.00 0.00 H new ATOM 0 HA GLU B 102 22.820 6.464 10.406 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.440 5.211 11.311 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.591 4.959 9.798 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.179 6.383 8.981 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.069 7.615 9.548 1.00 0.00 H new ATOM 1836 N GLN B 103 23.498 4.971 13.276 1.00 0.00 N ATOM 1837 CA GLN B 103 22.953 4.026 14.243 1.00 0.00 C ATOM 1838 C GLN B 103 21.539 4.419 14.674 1.00 0.00 C ATOM 1839 O GLN B 103 20.620 3.612 14.664 1.00 0.00 O ATOM 1840 CB GLN B 103 23.878 3.910 15.466 1.00 0.00 C ATOM 1841 CG GLN B 103 25.351 3.640 15.117 1.00 0.00 C ATOM 1842 CD GLN B 103 25.530 2.582 14.042 1.00 0.00 C ATOM 1843 OE1 GLN B 103 26.218 2.798 13.053 1.00 0.00 O ATOM 1844 NE2 GLN B 103 24.923 1.423 14.210 1.00 0.00 N ATOM 0 H GLN B 103 24.348 5.445 13.582 1.00 0.00 H new ATOM 0 HA GLN B 103 22.893 3.052 13.757 1.00 0.00 H new ATOM 0 HB2 GLN B 103 23.816 4.832 16.044 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.515 3.107 16.108 1.00 0.00 H new ATOM 0 HG2 GLN B 103 25.814 4.569 14.784 1.00 0.00 H new ATOM 0 HG3 GLN B 103 25.879 3.326 16.017 1.00 0.00 H new ATOM 0 HE21 GLN B 103 24.354 1.261 15.041 1.00 0.00 H new ATOM 0 HE22 GLN B 103 25.023 0.689 13.509 1.00 0.00 H new ATOM 1853 N GLU B 104 21.344 5.677 15.042 1.00 0.00 N ATOM 1854 CA GLU B 104 20.052 6.150 15.510 1.00 0.00 C ATOM 1855 C GLU B 104 18.996 6.044 14.412 1.00 0.00 C ATOM 1856 O GLU B 104 17.909 5.522 14.647 1.00 0.00 O ATOM 1857 CB GLU B 104 20.181 7.591 15.975 1.00 0.00 C ATOM 1858 CG GLU B 104 21.177 7.731 17.126 1.00 0.00 C ATOM 1859 CD GLU B 104 21.613 9.185 17.261 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.741 10.081 17.323 1.00 0.00 O ATOM 1861 OE2 GLU B 104 22.835 9.393 17.146 1.00 0.00 O ATOM 0 H GLU B 104 22.071 6.392 15.025 1.00 0.00 H new ATOM 0 HA GLU B 104 19.732 5.523 16.342 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.501 8.215 15.140 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.205 7.959 16.292 1.00 0.00 H new ATOM 0 HG2 GLU B 104 20.721 7.391 18.056 1.00 0.00 H new ATOM 0 HG3 GLU B 104 22.045 7.097 16.946 1.00 0.00 H new ATOM 1868 N VAL B 105 19.313 6.518 13.205 1.00 0.00 N ATOM 1869 CA VAL B 105 18.350 6.440 12.115 1.00 0.00 C ATOM 1870 C VAL B 105 18.091 4.984 11.721 1.00 0.00 C ATOM 1871 O VAL B 105 16.938 4.634 11.525 1.00 0.00 O ATOM 1872 CB VAL B 105 18.696 7.359 10.934 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.794 8.824 11.373 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.993 6.947 10.255 1.00 0.00 C ATOM 0 H VAL B 105 20.206 6.948 12.965 1.00 0.00 H new ATOM 0 HA VAL B 105 17.403 6.835 12.482 1.00 0.00 H new ATOM 0 HB VAL B 105 17.882 7.257 10.217 1.00 0.00 H new ATOM 0 HG11 VAL B 105 19.040 9.446 10.512 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.839 9.143 11.790 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.573 8.926 12.129 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.200 7.623 9.426 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.811 6.994 10.974 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.899 5.929 9.878 1.00 0.00 H new ATOM 1884 N LEU B 106 19.088 4.091 11.695 1.00 0.00 N ATOM 1885 CA LEU B 106 18.772 2.688 11.421 1.00 0.00 C ATOM 1886 C LEU B 106 17.946 2.064 12.556 1.00 0.00 C ATOM 1887 O LEU B 106 17.007 1.320 12.280 1.00 0.00 O ATOM 1888 CB LEU B 106 20.000 1.872 10.977 1.00 0.00 C ATOM 1889 CG LEU B 106 20.872 1.298 12.101 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.379 -0.066 12.605 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.298 1.103 11.582 1.00 0.00 C ATOM 0 H LEU B 106 20.074 4.301 11.852 1.00 0.00 H new ATOM 0 HA LEU B 106 18.121 2.658 10.548 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.656 1.046 10.354 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.625 2.507 10.349 1.00 0.00 H new ATOM 0 HG LEU B 106 20.825 2.009 12.926 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.036 -0.420 13.399 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.365 0.034 12.991 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.385 -0.782 11.783 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.922 0.695 12.377 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.287 0.412 10.739 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.702 2.063 11.260 1.00 0.00 H new ATOM 1903 N ASN B 107 18.235 2.378 13.827 1.00 0.00 N ATOM 1904 CA ASN B 107 17.424 1.895 14.950 1.00 0.00 C ATOM 1905 C ASN B 107 15.960 2.345 14.786 1.00 0.00 C ATOM 1906 O ASN B 107 15.024 1.541 14.794 1.00 0.00 O ATOM 1907 CB ASN B 107 17.993 2.425 16.280 1.00 0.00 C ATOM 1908 CG ASN B 107 19.341 1.830 16.678 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.583 0.638 16.526 1.00 0.00 O ATOM 1910 ND2 ASN B 107 20.228 2.638 17.240 1.00 0.00 N ATOM 0 H ASN B 107 19.024 2.964 14.101 1.00 0.00 H new ATOM 0 HA ASN B 107 17.456 0.806 14.960 1.00 0.00 H new ATOM 0 HB2 ASN B 107 18.095 3.508 16.210 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.273 2.223 17.074 1.00 0.00 H new ATOM 0 HD21 ASN B 107 21.127 2.270 17.553 1.00 0.00 H new ATOM 0 HD22 ASN B 107 20.012 3.628 17.360 1.00 0.00 H new ATOM 1917 N TYR B 108 15.765 3.650 14.625 1.00 0.00 N ATOM 1918 CA TYR B 108 14.460 4.268 14.459 1.00 0.00 C ATOM 1919 C TYR B 108 13.726 3.740 13.220 1.00 0.00 C ATOM 1920 O TYR B 108 12.625 3.212 13.332 1.00 0.00 O ATOM 1921 CB TYR B 108 14.644 5.784 14.407 1.00 0.00 C ATOM 1922 CG TYR B 108 13.344 6.551 14.512 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.834 6.876 15.782 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.656 6.962 13.356 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.660 7.636 15.888 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.516 7.778 13.473 1.00 0.00 C ATOM 1927 CZ TYR B 108 11.004 8.088 14.736 1.00 0.00 C ATOM 1928 OH TYR B 108 9.873 8.816 14.896 1.00 0.00 O ATOM 0 H TYR B 108 16.532 4.322 14.606 1.00 0.00 H new ATOM 0 HA TYR B 108 13.829 4.008 15.309 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.305 6.090 15.218 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.140 6.051 13.474 1.00 0.00 H new ATOM 0 HD1 TYR B 108 13.345 6.541 16.673 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.002 6.652 12.381 1.00 0.00 H new ATOM 0 HE1 TYR B 108 11.260 7.874 16.863 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.036 8.165 12.586 1.00 0.00 H new ATOM 0 HH TYR B 108 9.273 8.659 14.138 1.00 0.00 H new ATOM 1938 N ILE B 109 14.342 3.826 12.044 1.00 0.00 N ATOM 1939 CA ILE B 109 13.786 3.310 10.797 1.00 0.00 C ATOM 1940 C ILE B 109 13.407 1.830 10.914 1.00 0.00 C ATOM 1941 O ILE B 109 12.303 1.454 10.542 1.00 0.00 O ATOM 1942 CB ILE B 109 14.733 3.548 9.612 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.924 5.046 9.326 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.146 2.893 8.358 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.120 5.264 8.392 1.00 0.00 C ATOM 0 H ILE B 109 15.256 4.263 11.929 1.00 0.00 H new ATOM 0 HA ILE B 109 12.870 3.868 10.603 1.00 0.00 H new ATOM 0 HB ILE B 109 15.700 3.115 9.869 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.021 5.454 8.872 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.082 5.584 10.261 1.00 0.00 H new ATOM 0 HG21 ILE B 109 14.815 3.059 7.514 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.033 1.822 8.526 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.172 3.331 8.141 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.242 6.330 8.199 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.024 4.875 8.861 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.946 4.743 7.451 1.00 0.00 H new ATOM 1957 N GLU B 110 14.268 0.964 11.447 1.00 0.00 N ATOM 1958 CA GLU B 110 13.900 -0.432 11.686 1.00 0.00 C ATOM 1959 C GLU B 110 12.676 -0.560 12.632 1.00 0.00 C ATOM 1960 O GLU B 110 11.797 -1.407 12.419 1.00 0.00 O ATOM 1961 CB GLU B 110 15.145 -1.204 12.142 1.00 0.00 C ATOM 1962 CG GLU B 110 16.165 -1.351 10.992 1.00 0.00 C ATOM 1963 CD GLU B 110 16.039 -2.642 10.208 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.630 -3.640 10.672 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.426 -2.637 9.119 1.00 0.00 O ATOM 0 H GLU B 110 15.221 1.202 11.721 1.00 0.00 H new ATOM 0 HA GLU B 110 13.558 -0.891 10.759 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.611 -0.685 12.980 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.853 -2.191 12.500 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.047 -0.511 10.308 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.172 -1.287 11.405 1.00 0.00 H new ATOM 1972 N THR B 111 12.565 0.308 13.641 1.00 0.00 N ATOM 1973 CA THR B 111 11.379 0.401 14.509 1.00 0.00 C ATOM 1974 C THR B 111 10.114 0.833 13.740 1.00 0.00 C ATOM 1975 O THR B 111 9.125 0.102 13.722 1.00 0.00 O ATOM 1976 CB THR B 111 11.652 1.289 15.732 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.800 0.808 16.397 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.502 1.229 16.737 1.00 0.00 C ATOM 0 H THR B 111 13.299 0.973 13.884 1.00 0.00 H new ATOM 0 HA THR B 111 11.173 -0.604 14.878 1.00 0.00 H new ATOM 0 HB THR B 111 11.777 2.312 15.377 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.599 1.037 15.878 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.730 1.869 17.589 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.584 1.572 16.260 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.371 0.202 17.079 1.00 0.00 H new ATOM 1986 N GLN B 112 10.132 1.963 13.034 1.00 0.00 N ATOM 1987 CA GLN B 112 9.059 2.389 12.129 1.00 0.00 C ATOM 1988 C GLN B 112 8.681 1.285 11.113 1.00 0.00 C ATOM 1989 O GLN B 112 7.527 0.958 10.875 1.00 0.00 O ATOM 1990 CB GLN B 112 9.550 3.606 11.344 1.00 0.00 C ATOM 1991 CG GLN B 112 9.833 4.907 12.110 1.00 0.00 C ATOM 1992 CD GLN B 112 10.297 5.945 11.095 1.00 0.00 C ATOM 1993 OE1 GLN B 112 11.280 5.735 10.395 1.00 0.00 O ATOM 1994 NE2 GLN B 112 9.572 7.026 10.908 1.00 0.00 N ATOM 0 H GLN B 112 10.908 2.623 13.074 1.00 0.00 H new ATOM 0 HA GLN B 112 8.179 2.616 12.731 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.466 3.320 10.827 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.808 3.828 10.577 1.00 0.00 H new ATOM 0 HG2 GLN B 112 8.937 5.250 12.627 1.00 0.00 H new ATOM 0 HG3 GLN B 112 10.597 4.746 12.870 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.754 7.199 11.492 1.00 0.00 H new ATOM 0 HE22 GLN B 112 9.828 7.692 10.179 1.00 0.00 H new ATOM 2003 N ARG B 113 9.678 0.652 10.513 1.00 0.00 N ATOM 2004 CA ARG B 113 9.550 -0.498 9.624 1.00 0.00 C ATOM 2005 C ARG B 113 8.939 -1.718 10.353 1.00 0.00 C ATOM 2006 O ARG B 113 8.417 -2.657 9.749 1.00 0.00 O ATOM 2007 CB ARG B 113 10.955 -0.755 9.070 1.00 0.00 C ATOM 2008 CG ARG B 113 11.033 -1.786 7.952 1.00 0.00 C ATOM 2009 CD ARG B 113 12.503 -1.935 7.533 1.00 0.00 C ATOM 2010 NE ARG B 113 12.663 -2.920 6.442 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.468 -3.991 6.417 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.315 -4.299 7.375 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.434 -4.816 5.396 1.00 0.00 N ATOM 0 H ARG B 113 10.649 0.940 10.638 1.00 0.00 H new ATOM 0 HA ARG B 113 8.856 -0.306 8.806 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.361 0.187 8.702 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.597 -1.081 9.888 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.636 -2.743 8.290 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.426 -1.471 7.103 1.00 0.00 H new ATOM 0 HD2 ARG B 113 12.889 -0.968 7.210 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.097 -2.245 8.393 1.00 0.00 H new ATOM 0 HE ARG B 113 12.093 -2.766 5.610 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.388 -3.706 8.202 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.899 -5.131 7.291 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.794 -4.642 4.621 1.00 0.00 H new ATOM 0 HH22 ARG B 113 14.047 -5.631 5.378 1.00 0.00 H new ATOM 2027 N THR B 114 9.014 -1.758 11.679 1.00 0.00 N ATOM 2028 CA THR B 114 8.242 -2.667 12.535 1.00 0.00 C ATOM 2029 C THR B 114 6.801 -2.203 12.805 1.00 0.00 C ATOM 2030 O THR B 114 5.895 -3.031 12.696 1.00 0.00 O ATOM 2031 CB THR B 114 9.072 -3.072 13.758 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.266 -3.641 13.239 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.367 -4.109 14.633 1.00 0.00 C ATOM 0 H THR B 114 9.631 -1.142 12.209 1.00 0.00 H new ATOM 0 HA THR B 114 8.059 -3.591 11.986 1.00 0.00 H new ATOM 0 HB THR B 114 9.246 -2.201 14.390 1.00 0.00 H new ATOM 0 HG1 THR B 114 10.867 -2.926 12.942 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.001 -4.358 15.484 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.422 -3.701 14.992 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.175 -5.008 14.048 1.00 0.00 H new ATOM 2041 N TYR B 115 6.546 -0.903 12.997 1.00 0.00 N ATOM 2042 CA TYR B 115 5.201 -0.335 12.796 1.00 0.00 C ATOM 2043 C TYR B 115 4.592 -0.842 11.477 1.00 0.00 C ATOM 2044 O TYR B 115 3.569 -1.523 11.488 1.00 0.00 O ATOM 2045 CB TYR B 115 5.218 1.210 12.901 1.00 0.00 C ATOM 2046 CG TYR B 115 4.271 1.971 11.974 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.880 1.932 12.192 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.776 2.753 10.913 1.00 0.00 C ATOM 2049 CE1 TYR B 115 2.012 2.679 11.371 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.902 3.472 10.075 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.522 3.454 10.317 1.00 0.00 C ATOM 2052 OH TYR B 115 1.675 4.180 9.546 1.00 0.00 O ATOM 0 H TYR B 115 7.248 -0.224 13.290 1.00 0.00 H new ATOM 0 HA TYR B 115 4.552 -0.683 13.599 1.00 0.00 H new ATOM 0 HB2 TYR B 115 4.981 1.484 13.929 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.234 1.553 12.706 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.477 1.327 12.991 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.841 2.800 10.742 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.948 2.655 11.554 1.00 0.00 H new ATOM 0 HE2 TYR B 115 4.296 4.038 9.244 1.00 0.00 H new ATOM 0 HH TYR B 115 2.186 4.836 9.027 1.00 0.00 H new ATOM 2062 N TRP B 116 5.263 -0.617 10.347 1.00 0.00 N ATOM 2063 CA TRP B 116 4.786 -1.092 9.055 1.00 0.00 C ATOM 2064 C TRP B 116 4.571 -2.609 8.976 1.00 0.00 C ATOM 2065 O TRP B 116 3.580 -3.055 8.400 1.00 0.00 O ATOM 2066 CB TRP B 116 5.643 -0.556 7.907 1.00 0.00 C ATOM 2067 CG TRP B 116 5.138 0.729 7.334 1.00 0.00 C ATOM 2068 CD1 TRP B 116 5.856 1.853 7.141 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.782 1.037 6.886 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.036 2.837 6.632 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.744 2.393 6.458 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.578 0.305 6.801 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.570 2.994 5.984 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.392 0.908 6.359 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.388 2.244 5.937 1.00 0.00 C ATOM 0 H TRP B 116 6.144 -0.105 10.304 1.00 0.00 H new ATOM 0 HA TRP B 116 3.786 -0.674 8.942 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.663 -0.410 8.263 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.686 -1.305 7.116 1.00 0.00 H new ATOM 0 HD1 TRP B 116 6.909 1.965 7.352 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.349 3.782 6.410 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.570 -0.738 7.081 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 2.577 4.024 5.659 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.475 0.338 6.344 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.475 2.695 5.576 1.00 0.00 H new ATOM 2086 N LYS B 117 5.436 -3.435 9.574 1.00 0.00 N ATOM 2087 CA LYS B 117 5.104 -4.858 9.685 1.00 0.00 C ATOM 2088 C LYS B 117 3.752 -5.098 10.387 1.00 0.00 C ATOM 2089 O LYS B 117 2.932 -5.860 9.876 1.00 0.00 O ATOM 2090 CB LYS B 117 6.207 -5.665 10.395 1.00 0.00 C ATOM 2091 CG LYS B 117 7.390 -5.972 9.474 1.00 0.00 C ATOM 2092 CD LYS B 117 8.460 -6.861 10.129 1.00 0.00 C ATOM 2093 CE LYS B 117 9.239 -6.178 11.263 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.908 -4.928 10.831 1.00 0.00 N ATOM 0 H LYS B 117 6.333 -3.159 9.973 1.00 0.00 H new ATOM 0 HA LYS B 117 5.023 -5.214 8.658 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.560 -5.107 11.262 1.00 0.00 H new ATOM 0 HB3 LYS B 117 5.787 -6.600 10.767 1.00 0.00 H new ATOM 0 HG2 LYS B 117 7.022 -6.463 8.573 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.849 -5.035 9.160 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.981 -7.758 10.522 1.00 0.00 H new ATOM 0 HD3 LYS B 117 9.165 -7.186 9.364 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.556 -5.954 12.083 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.987 -6.869 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.389 -4.493 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.606 -5.146 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.199 -4.267 10.455 1.00 0.00 H new ATOM 2108 N LEU B 118 3.508 -4.499 11.556 1.00 0.00 N ATOM 2109 CA LEU B 118 2.236 -4.652 12.277 1.00 0.00 C ATOM 2110 C LEU B 118 1.054 -4.119 11.453 1.00 0.00 C ATOM 2111 O LEU B 118 0.067 -4.819 11.226 1.00 0.00 O ATOM 2112 CB LEU B 118 2.327 -3.943 13.638 1.00 0.00 C ATOM 2113 CG LEU B 118 3.385 -4.547 14.578 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.628 -3.586 15.747 1.00 0.00 C ATOM 2115 CD2 LEU B 118 2.942 -5.907 15.128 1.00 0.00 C ATOM 0 H LEU B 118 4.181 -3.897 12.029 1.00 0.00 H new ATOM 0 HA LEU B 118 2.055 -5.714 12.442 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.557 -2.890 13.475 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.353 -3.985 14.126 1.00 0.00 H new ATOM 0 HG LEU B 118 4.301 -4.695 14.006 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.377 -4.009 16.416 1.00 0.00 H new ATOM 0 HD12 LEU B 118 3.983 -2.629 15.364 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.697 -3.435 16.293 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.715 -6.302 15.788 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.014 -5.789 15.687 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.782 -6.599 14.301 1.00 0.00 H new ATOM 2127 N GLU B 119 1.163 -2.903 10.923 1.00 0.00 N ATOM 2128 CA GLU B 119 0.159 -2.355 10.016 1.00 0.00 C ATOM 2129 C GLU B 119 -0.153 -3.308 8.854 1.00 0.00 C ATOM 2130 O GLU B 119 -1.289 -3.729 8.657 1.00 0.00 O ATOM 2131 CB GLU B 119 0.622 -0.982 9.498 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.106 0.169 10.204 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.615 0.044 10.151 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -2.118 -0.481 9.134 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.237 0.369 11.180 1.00 0.00 O ATOM 0 H GLU B 119 1.944 -2.274 11.109 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.769 -2.232 10.574 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.697 -0.880 9.650 1.00 0.00 H new ATOM 0 HB3 GLU B 119 0.445 -0.920 8.424 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.212 0.207 11.246 1.00 0.00 H new ATOM 0 HG3 GLU B 119 0.190 1.113 9.746 1.00 0.00 H new ATOM 2142 N ASN B 120 0.864 -3.717 8.098 1.00 0.00 N ATOM 2143 CA ASN B 120 0.726 -4.621 6.954 1.00 0.00 C ATOM 2144 C ASN B 120 0.381 -6.068 7.345 1.00 0.00 C ATOM 2145 O ASN B 120 0.149 -6.906 6.468 1.00 0.00 O ATOM 2146 CB ASN B 120 1.975 -4.518 6.072 1.00 0.00 C ATOM 2147 CG ASN B 120 2.160 -3.098 5.545 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.205 -2.365 5.320 1.00 0.00 O ATOM 2149 ND2 ASN B 120 3.388 -2.667 5.354 1.00 0.00 N ATOM 0 H ASN B 120 1.827 -3.424 8.265 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.138 -4.298 6.374 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.854 -4.814 6.645 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.891 -5.212 5.235 1.00 0.00 H new ATOM 0 HD21 ASN B 120 3.549 -1.718 5.017 1.00 0.00 H new ATOM 0 HD22 ASN B 120 4.180 -3.282 5.543 1.00 0.00 H new ATOM 2156 N GLN B 121 0.333 -6.358 8.644 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.285 -7.545 9.231 1.00 0.00 C ATOM 2158 C GLN B 121 -1.804 -7.379 9.464 1.00 0.00 C ATOM 2159 O GLN B 121 -2.525 -8.370 9.400 1.00 0.00 O ATOM 2160 CB GLN B 121 0.496 -7.934 10.499 1.00 0.00 C ATOM 2161 CG GLN B 121 1.653 -8.881 10.143 1.00 0.00 C ATOM 2162 CD GLN B 121 2.597 -9.120 11.310 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.744 -10.223 11.806 1.00 0.00 O ATOM 2164 NE2 GLN B 121 3.283 -8.082 11.750 1.00 0.00 N ATOM 0 H GLN B 121 0.743 -5.744 9.348 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.220 -8.370 8.522 1.00 0.00 H new ATOM 0 HB2 GLN B 121 0.886 -7.039 10.983 1.00 0.00 H new ATOM 0 HB3 GLN B 121 -0.172 -8.417 11.212 1.00 0.00 H new ATOM 0 HG2 GLN B 121 1.246 -9.835 9.809 1.00 0.00 H new ATOM 0 HG3 GLN B 121 2.214 -8.464 9.307 1.00 0.00 H new ATOM 0 HE21 GLN B 121 3.149 -7.165 11.325 1.00 0.00 H new ATOM 0 HE22 GLN B 121 3.947 -8.197 12.515 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.331 -6.161 9.653 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.778 -5.951 9.623 1.00 0.00 C ATOM 2175 C LYS B 122 -4.366 -6.292 8.237 1.00 0.00 C ATOM 2176 O LYS B 122 -3.773 -5.968 7.202 1.00 0.00 O ATOM 2177 CB LYS B 122 -4.114 -4.496 9.963 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.724 -4.019 11.367 1.00 0.00 C ATOM 2179 CD LYS B 122 -4.120 -2.535 11.447 1.00 0.00 C ATOM 2180 CE LYS B 122 -3.937 -1.925 12.841 1.00 0.00 C ATOM 2181 NZ LYS B 122 -4.156 -0.463 12.781 1.00 0.00 N ATOM 0 H LYS B 122 -1.782 -5.319 9.826 1.00 0.00 H new ATOM 0 HA LYS B 122 -4.219 -6.615 10.366 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.622 -3.852 9.234 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -5.188 -4.355 9.840 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -4.239 -4.600 12.132 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.655 -4.145 11.537 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.524 -1.969 10.731 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -5.163 -2.429 11.147 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -4.638 -2.379 13.541 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.934 -2.137 13.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -4.547 -0.133 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.251 0.016 12.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -4.824 -0.243 12.015 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.544 -6.921 8.229 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.245 -7.422 7.047 1.00 0.00 C ATOM 2197 C LYS B 123 -7.590 -6.699 6.848 1.00 0.00 C ATOM 2198 O LYS B 123 -8.423 -6.682 7.755 1.00 0.00 O ATOM 2199 CB LYS B 123 -6.431 -8.936 7.258 1.00 0.00 C ATOM 2200 CG LYS B 123 -6.948 -9.692 6.028 1.00 0.00 C ATOM 2201 CD LYS B 123 -8.487 -9.701 5.918 1.00 0.00 C ATOM 2202 CE LYS B 123 -8.885 -10.237 4.536 1.00 0.00 C ATOM 2203 NZ LYS B 123 -8.682 -9.191 3.512 1.00 0.00 N ATOM 0 H LYS B 123 -6.059 -7.103 9.090 1.00 0.00 H new ATOM 0 HA LYS B 123 -5.672 -7.232 6.139 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -5.477 -9.368 7.559 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.126 -9.092 8.083 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -6.529 -9.239 5.129 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -6.587 -10.720 6.064 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -8.917 -10.324 6.702 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -8.881 -8.694 6.059 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -8.289 -11.117 4.292 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.929 -10.551 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -8.242 -9.612 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -9.600 -8.776 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -8.061 -8.449 3.892 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.869 -6.167 5.656 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.169 -5.559 5.363 1.00 0.00 C ATOM 2219 C LEU B 124 -10.227 -6.644 5.107 1.00 0.00 C ATOM 2220 O LEU B 124 -10.371 -7.166 4.001 1.00 0.00 O ATOM 2221 CB LEU B 124 -9.056 -4.565 4.200 1.00 0.00 C ATOM 2222 CG LEU B 124 -10.414 -3.996 3.750 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -11.239 -3.437 4.897 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -10.237 -2.851 2.763 1.00 0.00 C ATOM 0 H LEU B 124 -7.211 -6.145 4.877 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.497 -4.991 6.233 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.406 -3.742 4.497 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.579 -5.059 3.354 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.929 -4.845 3.299 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -12.183 -3.052 4.512 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.437 -4.227 5.621 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.689 -2.630 5.382 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.215 -2.472 2.466 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.666 -2.051 3.233 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -9.703 -3.209 1.882 1.00 0.00 H new ATOM 2236 N TYR B 125 -10.956 -7.045 6.144 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.014 -8.064 6.064 1.00 0.00 C ATOM 2238 C TYR B 125 -13.249 -7.623 5.247 1.00 0.00 C ATOM 2239 O TYR B 125 -14.106 -8.444 4.932 1.00 0.00 O ATOM 2240 CB TYR B 125 -12.393 -8.509 7.483 1.00 0.00 C ATOM 2241 CG TYR B 125 -12.689 -7.347 8.405 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -13.874 -6.608 8.231 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -11.660 -6.845 9.225 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -13.980 -5.321 8.780 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -11.775 -5.562 9.777 1.00 0.00 C ATOM 2246 CZ TYR B 125 -12.924 -4.799 9.539 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.022 -3.562 10.083 1.00 0.00 O ATOM 0 H TYR B 125 -10.831 -6.668 7.083 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.611 -8.912 5.509 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -13.267 -9.159 7.433 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -11.579 -9.101 7.902 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.699 -7.030 7.677 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -10.786 -7.446 9.428 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.872 -4.735 8.618 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -10.977 -5.162 10.386 1.00 0.00 H new ATOM 0 HH TYR B 125 -12.500 -3.527 10.911 1.00 0.00 H new ATOM 2257 N ARG B 126 -13.346 -6.338 4.890 1.00 0.00 N ATOM 2258 CA ARG B 126 -14.346 -5.752 3.994 1.00 0.00 C ATOM 2259 C ARG B 126 -15.775 -5.678 4.546 1.00 0.00 C ATOM 2260 O ARG B 126 -16.376 -4.607 4.559 1.00 0.00 O ATOM 2261 CB ARG B 126 -14.344 -6.431 2.611 1.00 0.00 C ATOM 2262 CG ARG B 126 -13.114 -6.096 1.755 1.00 0.00 C ATOM 2263 CD ARG B 126 -13.092 -4.638 1.260 1.00 0.00 C ATOM 2264 NE ARG B 126 -14.298 -4.357 0.459 1.00 0.00 N ATOM 2265 CZ ARG B 126 -14.640 -3.237 -0.181 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -13.875 -2.169 -0.229 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -15.810 -3.178 -0.769 1.00 0.00 N ATOM 0 H ARG B 126 -12.690 -5.639 5.240 1.00 0.00 H new ATOM 0 HA ARG B 126 -14.022 -4.716 3.897 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.396 -7.511 2.747 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -15.243 -6.134 2.070 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -12.212 -6.288 2.337 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -13.086 -6.764 0.895 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -13.044 -3.958 2.110 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -12.199 -4.463 0.661 1.00 0.00 H new ATOM 0 HE ARG B 126 -14.964 -5.126 0.384 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -12.968 -2.170 0.238 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -14.188 -1.340 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -16.440 -3.979 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -16.090 -2.331 -1.263 1.00 0.00 H new