USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 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 82 SER OG : rot 54:sc= 1.87 USER MOD Set 1.2: B 123 LYS NZ :NH3+ -172:sc= 1.5 (180deg=0.536) USER MOD Set 1.3: B 125 TYR OH : rot -178:sc= 0.934 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.0381 K(o=1.8,f=-2.6!) USER MOD Set 2.2: B 122 LYS NZ :NH3+ 145:sc= 1.87 (180deg=0.829!) USER MOD Set 3.1: B 114 THR OG1 : rot 83:sc= 1.79 USER MOD Set 3.2: B 117 LYS NZ :NH3+ 124:sc= 0.507 (180deg=-0.374!) USER MOD Set 4.1: B 103 GLN : amide:sc= 0.224 K(o=0.86,f=-1.1) USER MOD Set 4.2: B 107 ASN : amide:sc= 0.634 K(o=0.86,f=-1.1) USER MOD Set 5.1: A 125 TYR OH : rot 28:sc= 0.0601 USER MOD Set 5.2: B 81 GLN : amide:sc= -0.185 K(o=-0.12,f=-0.73!) USER MOD Set 6.1: A 123 LYS NZ :NH3+ -168:sc= 0.798 (180deg=-0.717) USER MOD Set 6.2: B 82 SER OG : rot -110:sc= 0.783 USER MOD Set 7.1: A 122 LYS NZ :NH3+ 157:sc= 1.77 (180deg=-0.28!) USER MOD Set 7.2: B 83 ASN : amide:sc= 0.715 K(o=2.5,f=-5!) USER MOD Set 8.1: A 114 THR OG1 : rot 85:sc= 1.76 USER MOD Set 8.2: A 117 LYS NZ :NH3+ -135:sc= 2.2 (180deg=-0.204) USER MOD Set 9.1: A 103 GLN : amide:sc= 0.561 K(o=0.37,f=-0.19) USER MOD Set 9.2: A 107 ASN : amide:sc= -0.192 K(o=0.37,f=-0.76) USER MOD Set10.1: A 97 GLN : amide:sc= 1.1 K(o=2.1,f=0.55) USER MOD Set10.2: A 108 TYR OH : rot 15:sc= 1 USER MOD Single : A 69 SER OG : rot 180:sc= 0.151 USER MOD Single : A 71 CYS SG : rot -5:sc= 0.388 USER MOD Single : A 79 TYR OH : rot -5:sc= 0.934 USER MOD Single : A 81 GLN : amide:sc= 1.14 K(o=1.1,f=-0.056) USER MOD Single : A 88 SER OG : rot 73:sc= 1.03 USER MOD Single : A 96 ASN : amide:sc= 0.853 K(o=0.85,f=-0.047) USER MOD Single : A 100 GLN : amide:sc= 1.15 K(o=1.1,f=-0.0012) USER MOD Single : A 101 SER OG : rot -62:sc= 1.19 USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.883 USER MOD Single : A 112 GLN : amide:sc= 1.12 K(o=1.1,f=-0.61) USER MOD Single : A 115 TYR OH : rot -20:sc= 0.924 USER MOD Single : A 120 ASN : amide:sc= 0.603 K(o=0.6,f=-2.9) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0.156 USER MOD Single : B 71 CYS SG : rot -171:sc= -0.346 USER MOD Single : B 79 TYR OH : rot 90:sc= -0.0278 USER MOD Single : B 88 SER OG : rot -48:sc= 0.837 USER MOD Single : B 96 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.27) USER MOD Single : B 97 GLN : amide:sc= 0.947 K(o=0.95,f=-0.99) USER MOD Single : B 100 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : B 101 SER OG : rot -85:sc= 1.21 USER MOD Single : B 108 TYR OH : rot -41:sc= 1.21 USER MOD Single : B 111 THR OG1 : rot 76:sc= 0.985 USER MOD Single : B 112 GLN : amide:sc= 1.15 K(o=1.2,f=-0.39) USER MOD Single : B 115 TYR OH : rot -25:sc= 0.327 USER MOD Single : B 120 ASN : amide:sc= 0.124 K(o=0.12,f=-6.4!) USER MOD Single : B 121 GLN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -6.983 10.006 -4.897 1.00 0.00 N ATOM 115 CA LEU A 68 -7.930 9.031 -4.355 1.00 0.00 C ATOM 116 C LEU A 68 -9.341 9.255 -4.937 1.00 0.00 C ATOM 117 O LEU A 68 -10.069 10.150 -4.511 1.00 0.00 O ATOM 118 CB LEU A 68 -7.865 9.085 -2.819 1.00 0.00 C ATOM 119 CG LEU A 68 -6.494 8.709 -2.226 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.548 8.861 -0.703 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.091 7.269 -2.569 1.00 0.00 C ATOM 0 HA LEU A 68 -7.661 8.018 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.125 10.092 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.620 8.413 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.750 9.377 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.580 8.596 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.786 9.894 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.316 8.201 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.118 7.049 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.834 6.578 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.035 7.155 -3.652 1.00 0.00 H new ATOM 133 N SER A 69 -9.713 8.446 -5.934 1.00 0.00 N ATOM 134 CA SER A 69 -11.053 8.338 -6.514 1.00 0.00 C ATOM 135 C SER A 69 -11.847 7.143 -5.949 1.00 0.00 C ATOM 136 O SER A 69 -11.342 6.362 -5.151 1.00 0.00 O ATOM 137 CB SER A 69 -10.924 8.219 -8.034 1.00 0.00 C ATOM 138 OG SER A 69 -12.195 8.386 -8.649 1.00 0.00 O ATOM 0 H SER A 69 -9.049 7.814 -6.382 1.00 0.00 H new ATOM 0 HA SER A 69 -11.611 9.236 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.229 8.972 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.510 7.245 -8.296 1.00 0.00 H new ATOM 0 HG SER A 69 -12.100 8.310 -9.621 1.00 0.00 H new ATOM 144 N ALA A 70 -13.108 7.011 -6.362 1.00 0.00 N ATOM 145 CA ALA A 70 -14.122 6.134 -5.761 1.00 0.00 C ATOM 146 C ALA A 70 -13.618 4.777 -5.228 1.00 0.00 C ATOM 147 O ALA A 70 -13.664 4.519 -4.026 1.00 0.00 O ATOM 148 CB ALA A 70 -15.264 5.950 -6.765 1.00 0.00 C ATOM 0 H ALA A 70 -13.470 7.534 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.463 6.640 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.026 5.301 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.703 6.920 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.876 5.498 -7.678 1.00 0.00 H new ATOM 154 N CYS A 71 -13.175 3.883 -6.112 1.00 0.00 N ATOM 155 CA CYS A 71 -12.804 2.523 -5.735 1.00 0.00 C ATOM 156 C CYS A 71 -11.599 2.460 -4.781 1.00 0.00 C ATOM 157 O CYS A 71 -11.681 1.819 -3.734 1.00 0.00 O ATOM 158 CB CYS A 71 -12.642 1.664 -6.996 1.00 0.00 C ATOM 159 SG CYS A 71 -11.325 2.256 -8.085 1.00 0.00 S ATOM 0 H CYS A 71 -13.064 4.082 -7.106 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.617 2.099 -5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.431 0.635 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.583 1.653 -7.545 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.852 3.376 -7.625 1.00 0.00 H new ATOM 165 N GLU A 72 -10.489 3.138 -5.078 1.00 0.00 N ATOM 166 CA GLU A 72 -9.361 3.173 -4.157 1.00 0.00 C ATOM 167 C GLU A 72 -9.724 3.861 -2.826 1.00 0.00 C ATOM 168 O GLU A 72 -9.397 3.341 -1.766 1.00 0.00 O ATOM 169 CB GLU A 72 -8.097 3.716 -4.845 1.00 0.00 C ATOM 170 CG GLU A 72 -8.150 5.200 -5.253 1.00 0.00 C ATOM 171 CD GLU A 72 -8.745 5.480 -6.619 1.00 0.00 C ATOM 172 OE1 GLU A 72 -9.592 4.718 -7.122 1.00 0.00 O ATOM 173 OE2 GLU A 72 -8.322 6.477 -7.234 1.00 0.00 O ATOM 0 H GLU A 72 -10.351 3.664 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.113 2.151 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.249 3.571 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.905 3.119 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.728 5.744 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.137 5.602 -5.228 1.00 0.00 H new ATOM 180 N VAL A 73 -10.480 4.964 -2.849 1.00 0.00 N ATOM 181 CA VAL A 73 -10.978 5.628 -1.638 1.00 0.00 C ATOM 182 C VAL A 73 -11.749 4.637 -0.762 1.00 0.00 C ATOM 183 O VAL A 73 -11.495 4.523 0.433 1.00 0.00 O ATOM 184 CB VAL A 73 -11.884 6.819 -1.998 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.511 7.446 -0.755 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.120 7.952 -2.668 1.00 0.00 C ATOM 0 H VAL A 73 -10.766 5.424 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.118 6.000 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.634 6.399 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.144 8.283 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.114 6.701 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.724 7.802 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.806 8.766 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.342 8.314 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.663 7.588 -3.588 1.00 0.00 H new ATOM 196 N ALA A 74 -12.677 3.901 -1.372 1.00 0.00 N ATOM 197 CA ALA A 74 -13.506 2.943 -0.654 1.00 0.00 C ATOM 198 C ALA A 74 -12.637 1.911 0.073 1.00 0.00 C ATOM 199 O ALA A 74 -12.832 1.621 1.249 1.00 0.00 O ATOM 200 CB ALA A 74 -14.471 2.279 -1.641 1.00 0.00 C ATOM 0 H ALA A 74 -12.872 3.954 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.089 3.460 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.096 1.560 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.103 3.040 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.902 1.764 -2.415 1.00 0.00 H new ATOM 206 N VAL A 75 -11.648 1.354 -0.620 1.00 0.00 N ATOM 207 CA VAL A 75 -10.804 0.324 -0.013 1.00 0.00 C ATOM 208 C VAL A 75 -9.809 0.911 1.023 1.00 0.00 C ATOM 209 O VAL A 75 -9.583 0.307 2.071 1.00 0.00 O ATOM 210 CB VAL A 75 -10.212 -0.597 -1.097 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.494 -1.789 -0.460 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.359 -1.186 -1.928 1.00 0.00 C ATOM 0 H VAL A 75 -11.412 1.591 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.416 -0.336 0.602 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.521 -0.008 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.083 -2.427 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.686 -1.429 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.201 -2.361 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.951 -1.840 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.021 -1.759 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.920 -0.378 -2.397 1.00 0.00 H new ATOM 222 N LEU A 76 -9.263 2.108 0.779 1.00 0.00 N ATOM 223 CA LEU A 76 -8.553 2.941 1.768 1.00 0.00 C ATOM 224 C LEU A 76 -9.345 3.149 3.071 1.00 0.00 C ATOM 225 O LEU A 76 -8.822 3.009 4.178 1.00 0.00 O ATOM 226 CB LEU A 76 -8.172 4.278 1.120 1.00 0.00 C ATOM 227 CG LEU A 76 -6.827 4.271 0.366 1.00 0.00 C ATOM 228 CD1 LEU A 76 -5.688 4.667 1.313 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.435 2.963 -0.340 1.00 0.00 C ATOM 0 H LEU A 76 -9.302 2.542 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.650 2.407 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.961 4.567 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.134 5.044 1.895 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.982 4.996 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.743 4.659 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.872 5.667 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.638 3.957 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.470 3.090 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.365 2.160 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.191 2.710 -1.084 1.00 0.00 H new ATOM 241 N ASP A 77 -10.627 3.460 2.940 1.00 0.00 N ATOM 242 CA ASP A 77 -11.495 3.659 4.095 1.00 0.00 C ATOM 243 C ASP A 77 -11.653 2.332 4.838 1.00 0.00 C ATOM 244 O ASP A 77 -11.320 2.222 6.017 1.00 0.00 O ATOM 245 CB ASP A 77 -12.839 4.233 3.637 1.00 0.00 C ATOM 246 CG ASP A 77 -13.833 4.193 4.781 1.00 0.00 C ATOM 247 OD1 ASP A 77 -13.879 5.174 5.547 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.489 3.138 4.916 1.00 0.00 O ATOM 0 H ASP A 77 -11.092 3.581 2.040 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.055 4.378 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.708 5.259 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.220 3.660 2.792 1.00 0.00 H new ATOM 253 N LEU A 78 -12.050 1.279 4.119 1.00 0.00 N ATOM 254 CA LEU A 78 -12.150 -0.046 4.697 1.00 0.00 C ATOM 255 C LEU A 78 -10.858 -0.457 5.419 1.00 0.00 C ATOM 256 O LEU A 78 -10.937 -1.027 6.509 1.00 0.00 O ATOM 257 CB LEU A 78 -12.582 -1.061 3.639 1.00 0.00 C ATOM 258 CG LEU A 78 -14.002 -0.851 3.086 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.283 -1.919 2.024 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.091 -0.911 4.163 1.00 0.00 C ATOM 0 H LEU A 78 -12.306 1.328 3.133 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.925 -0.025 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.875 -1.024 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.518 -2.061 4.068 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.036 0.152 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.288 -1.780 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.556 -1.829 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.205 -2.909 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.067 -0.755 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.070 -1.887 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.912 -0.134 4.906 1.00 0.00 H new ATOM 272 N TYR A 79 -9.664 -0.171 4.879 1.00 0.00 N ATOM 273 CA TYR A 79 -8.413 -0.389 5.605 1.00 0.00 C ATOM 274 C TYR A 79 -8.419 0.237 7.003 1.00 0.00 C ATOM 275 O TYR A 79 -8.142 -0.474 7.972 1.00 0.00 O ATOM 276 CB TYR A 79 -7.201 0.150 4.837 1.00 0.00 C ATOM 277 CG TYR A 79 -6.683 -0.731 3.737 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.357 -2.068 3.995 1.00 0.00 C ATOM 279 CD2 TYR A 79 -6.571 -0.236 2.434 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.244 -2.957 2.920 1.00 0.00 C ATOM 281 CE2 TYR A 79 -6.476 -1.125 1.361 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.473 -2.495 1.612 1.00 0.00 C ATOM 283 OH TYR A 79 -6.481 -3.376 0.578 1.00 0.00 O ATOM 0 H TYR A 79 -9.543 0.212 3.941 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.332 -1.471 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.466 1.117 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.393 0.326 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.195 -2.408 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.558 0.829 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.983 -3.990 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.406 -0.755 0.349 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.233 -4.266 0.905 1.00 0.00 H new ATOM 293 N GLU A 80 -8.740 1.524 7.135 1.00 0.00 N ATOM 294 CA GLU A 80 -8.678 2.201 8.433 1.00 0.00 C ATOM 295 C GLU A 80 -9.893 1.937 9.338 1.00 0.00 C ATOM 296 O GLU A 80 -9.736 1.737 10.545 1.00 0.00 O ATOM 297 CB GLU A 80 -8.296 3.673 8.249 1.00 0.00 C ATOM 298 CG GLU A 80 -6.830 3.809 7.768 1.00 0.00 C ATOM 299 CD GLU A 80 -5.737 3.570 8.818 1.00 0.00 C ATOM 300 OE1 GLU A 80 -5.841 2.583 9.586 1.00 0.00 O ATOM 301 OE2 GLU A 80 -4.782 4.376 8.828 1.00 0.00 O ATOM 0 H GLU A 80 -9.044 2.118 6.363 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.872 1.748 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.965 4.138 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.425 4.206 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.674 3.108 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.697 4.811 7.360 1.00 0.00 H new ATOM 308 N GLN A 81 -11.076 1.706 8.770 1.00 0.00 N ATOM 309 CA GLN A 81 -12.139 0.964 9.462 1.00 0.00 C ATOM 310 C GLN A 81 -11.716 -0.479 9.833 1.00 0.00 C ATOM 311 O GLN A 81 -12.400 -1.181 10.581 1.00 0.00 O ATOM 312 CB GLN A 81 -13.431 0.975 8.637 1.00 0.00 C ATOM 313 CG GLN A 81 -13.985 2.397 8.432 1.00 0.00 C ATOM 314 CD GLN A 81 -15.503 2.390 8.287 1.00 0.00 C ATOM 315 OE1 GLN A 81 -16.219 2.128 9.246 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.033 2.648 7.110 1.00 0.00 N ATOM 0 H GLN A 81 -11.326 2.020 7.832 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.327 1.478 10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.242 0.518 7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.183 0.364 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.702 3.024 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.536 2.839 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.431 2.865 6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.046 2.631 6.992 1.00 0.00 H new ATOM 325 N SER A 82 -10.570 -0.946 9.331 1.00 0.00 N ATOM 326 CA SER A 82 -9.869 -2.148 9.771 1.00 0.00 C ATOM 327 C SER A 82 -8.596 -1.896 10.607 1.00 0.00 C ATOM 328 O SER A 82 -8.008 -2.883 11.062 1.00 0.00 O ATOM 329 CB SER A 82 -9.591 -3.059 8.571 1.00 0.00 C ATOM 330 OG SER A 82 -10.652 -4.001 8.502 1.00 0.00 O ATOM 0 H SER A 82 -10.085 -0.471 8.570 1.00 0.00 H new ATOM 0 HA SER A 82 -10.542 -2.650 10.466 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.534 -2.477 7.651 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.633 -3.566 8.687 1.00 0.00 H new ATOM 0 HG SER A 82 -11.509 -3.527 8.478 1.00 0.00 H new ATOM 336 N ASN A 83 -8.206 -0.636 10.824 1.00 0.00 N ATOM 337 CA ASN A 83 -6.936 -0.158 11.382 1.00 0.00 C ATOM 338 C ASN A 83 -5.696 -0.651 10.615 1.00 0.00 C ATOM 339 O ASN A 83 -4.927 -1.464 11.136 1.00 0.00 O ATOM 340 CB ASN A 83 -6.851 -0.450 12.889 1.00 0.00 C ATOM 341 CG ASN A 83 -5.558 0.101 13.482 1.00 0.00 C ATOM 342 OD1 ASN A 83 -4.664 -0.643 13.882 1.00 0.00 O ATOM 343 ND2 ASN A 83 -5.400 1.412 13.505 1.00 0.00 N ATOM 0 H ASN A 83 -8.823 0.143 10.594 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.930 0.924 11.251 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.707 -0.006 13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.903 -1.526 13.058 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.531 1.815 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.147 2.022 13.171 1.00 0.00 H new ATOM 350 N ILE A 84 -5.475 -0.178 9.393 1.00 0.00 N ATOM 351 CA ILE A 84 -4.289 -0.428 8.576 1.00 0.00 C ATOM 352 C ILE A 84 -3.922 0.851 7.822 1.00 0.00 C ATOM 353 O ILE A 84 -4.594 1.186 6.849 1.00 0.00 O ATOM 354 CB ILE A 84 -4.608 -1.523 7.547 1.00 0.00 C ATOM 355 CG1 ILE A 84 -4.767 -2.892 8.210 1.00 0.00 C ATOM 356 CG2 ILE A 84 -3.526 -1.637 6.455 1.00 0.00 C ATOM 357 CD1 ILE A 84 -5.655 -3.784 7.361 1.00 0.00 C ATOM 0 H ILE A 84 -6.152 0.421 8.920 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.464 -0.740 9.216 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.549 -1.224 7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.790 -3.357 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.200 -2.775 9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.799 -2.425 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.445 -0.689 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.568 -1.878 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.761 -4.756 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.637 -3.323 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.205 -3.914 6.377 1.00 0.00 H new ATOM 369 N ARG A 85 -2.796 1.480 8.146 1.00 0.00 N ATOM 370 CA ARG A 85 -2.315 2.513 7.230 1.00 0.00 C ATOM 371 C ARG A 85 -1.753 1.864 5.957 1.00 0.00 C ATOM 372 O ARG A 85 -1.180 0.770 5.981 1.00 0.00 O ATOM 373 CB ARG A 85 -1.338 3.506 7.883 1.00 0.00 C ATOM 374 CG ARG A 85 -1.228 4.779 7.017 1.00 0.00 C ATOM 375 CD ARG A 85 -0.644 5.993 7.751 1.00 0.00 C ATOM 376 NE ARG A 85 0.826 5.960 7.891 1.00 0.00 N ATOM 377 CZ ARG A 85 1.722 6.485 7.045 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.404 6.761 5.794 1.00 0.00 N ATOM 379 NH2 ARG A 85 2.953 6.717 7.459 1.00 0.00 N ATOM 0 H ARG A 85 -2.230 1.311 8.978 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.169 3.128 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.683 3.765 8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.357 3.045 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.607 4.561 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.219 5.037 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.928 6.899 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.092 6.055 8.743 1.00 0.00 H new ATOM 0 HE ARG A 85 1.197 5.489 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.460 6.575 5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.102 7.161 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.218 6.497 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.639 7.117 6.819 1.00 0.00 H new ATOM 393 N ILE A 86 -1.913 2.544 4.827 1.00 0.00 N ATOM 394 CA ILE A 86 -1.297 2.190 3.555 1.00 0.00 C ATOM 395 C ILE A 86 -0.041 3.060 3.336 1.00 0.00 C ATOM 396 O ILE A 86 -0.134 4.279 3.482 1.00 0.00 O ATOM 397 CB ILE A 86 -2.363 2.331 2.456 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.470 1.260 2.582 1.00 0.00 C ATOM 399 CG2 ILE A 86 -1.735 2.257 1.071 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.041 -0.188 2.279 1.00 0.00 C ATOM 0 H ILE A 86 -2.492 3.382 4.770 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.949 1.157 3.536 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.821 3.311 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.870 1.296 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.285 1.526 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.512 2.360 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.009 3.062 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.234 1.297 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.896 -0.853 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.672 -0.252 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.251 -0.485 2.969 1.00 0.00 H new ATOM 412 N PRO A 87 1.135 2.466 3.051 1.00 0.00 N ATOM 413 CA PRO A 87 2.329 3.233 2.726 1.00 0.00 C ATOM 414 C PRO A 87 2.180 3.871 1.344 1.00 0.00 C ATOM 415 O PRO A 87 1.787 3.185 0.399 1.00 0.00 O ATOM 416 CB PRO A 87 3.495 2.240 2.786 1.00 0.00 C ATOM 417 CG PRO A 87 2.856 0.869 2.562 1.00 0.00 C ATOM 418 CD PRO A 87 1.402 1.034 3.008 1.00 0.00 C ATOM 0 HA PRO A 87 2.499 4.055 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.240 2.459 2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.004 2.286 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.917 0.571 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.362 0.098 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.726 0.535 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.244 0.582 3.987 1.00 0.00 H new ATOM 426 N SER A 88 2.483 5.167 1.240 1.00 0.00 N ATOM 427 CA SER A 88 2.404 5.987 0.026 1.00 0.00 C ATOM 428 C SER A 88 2.698 5.231 -1.281 1.00 0.00 C ATOM 429 O SER A 88 1.872 5.265 -2.183 1.00 0.00 O ATOM 430 CB SER A 88 3.293 7.225 0.186 1.00 0.00 C ATOM 431 OG SER A 88 2.848 8.002 1.292 1.00 0.00 O ATOM 0 H SER A 88 2.808 5.703 2.044 1.00 0.00 H new ATOM 0 HA SER A 88 1.363 6.293 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.329 6.922 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.265 7.823 -0.725 1.00 0.00 H new ATOM 0 HG SER A 88 3.081 7.546 2.127 1.00 0.00 H new ATOM 437 N ASP A 89 3.792 4.467 -1.367 1.00 0.00 N ATOM 438 CA ASP A 89 4.116 3.624 -2.520 1.00 0.00 C ATOM 439 C ASP A 89 2.907 2.875 -3.127 1.00 0.00 C ATOM 440 O ASP A 89 2.720 2.851 -4.342 1.00 0.00 O ATOM 441 CB ASP A 89 5.189 2.611 -2.087 1.00 0.00 C ATOM 442 CG ASP A 89 6.438 3.241 -1.521 1.00 0.00 C ATOM 443 OD1 ASP A 89 6.343 3.812 -0.417 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.507 3.081 -2.146 1.00 0.00 O ATOM 0 H ASP A 89 4.489 4.417 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 89 4.472 4.286 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.762 1.942 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.462 1.997 -2.946 1.00 0.00 H new ATOM 449 N ILE A 90 2.087 2.237 -2.283 1.00 0.00 N ATOM 450 CA ILE A 90 0.834 1.618 -2.726 1.00 0.00 C ATOM 451 C ILE A 90 -0.040 2.633 -3.467 1.00 0.00 C ATOM 452 O ILE A 90 -0.531 2.358 -4.552 1.00 0.00 O ATOM 453 CB ILE A 90 0.040 1.072 -1.524 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.703 -0.118 -0.814 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.410 0.714 -1.908 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.680 -1.395 -1.650 1.00 0.00 C ATOM 0 H ILE A 90 2.271 2.136 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 90 1.094 0.799 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 90 0.032 1.895 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.736 0.136 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.194 -0.300 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.935 0.333 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.919 1.604 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.402 -0.049 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.162 -2.201 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.352 -1.670 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.214 -1.227 -2.585 1.00 0.00 H new ATOM 468 N ILE A 91 -0.287 3.785 -2.852 1.00 0.00 N ATOM 469 CA ILE A 91 -1.150 4.828 -3.390 1.00 0.00 C ATOM 470 C ILE A 91 -0.588 5.349 -4.724 1.00 0.00 C ATOM 471 O ILE A 91 -1.303 5.340 -5.727 1.00 0.00 O ATOM 472 CB ILE A 91 -1.338 5.911 -2.307 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.035 5.275 -1.087 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.140 7.100 -2.841 1.00 0.00 C ATOM 475 CD1 ILE A 91 -1.997 6.126 0.186 1.00 0.00 C ATOM 0 H ILE A 91 0.116 4.024 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.141 4.443 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.362 6.296 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.075 5.075 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.567 4.313 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.255 7.845 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.614 7.544 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.124 6.760 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.511 5.600 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.961 6.305 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.492 7.079 0.001 1.00 0.00 H new ATOM 487 N GLU A 92 0.699 5.709 -4.740 1.00 0.00 N ATOM 488 CA GLU A 92 1.463 6.064 -5.937 1.00 0.00 C ATOM 489 C GLU A 92 1.199 5.097 -7.110 1.00 0.00 C ATOM 490 O GLU A 92 0.823 5.505 -8.208 1.00 0.00 O ATOM 491 CB GLU A 92 2.960 6.099 -5.556 1.00 0.00 C ATOM 492 CG GLU A 92 3.569 7.508 -5.632 1.00 0.00 C ATOM 493 CD GLU A 92 2.917 8.518 -4.702 1.00 0.00 C ATOM 494 OE1 GLU A 92 2.984 8.315 -3.471 1.00 0.00 O ATOM 495 OE2 GLU A 92 2.384 9.507 -5.250 1.00 0.00 O ATOM 0 H GLU A 92 1.257 5.763 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 92 1.143 7.045 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.080 5.712 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.513 5.434 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.631 7.446 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.491 7.871 -6.657 1.00 0.00 H new ATOM 502 N ASP A 93 1.376 3.796 -6.870 1.00 0.00 N ATOM 503 CA ASP A 93 1.151 2.754 -7.859 1.00 0.00 C ATOM 504 C ASP A 93 -0.347 2.688 -8.228 1.00 0.00 C ATOM 505 O ASP A 93 -0.762 3.008 -9.344 1.00 0.00 O ATOM 506 CB ASP A 93 1.724 1.462 -7.245 1.00 0.00 C ATOM 507 CG ASP A 93 1.650 0.255 -8.151 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.276 0.419 -9.326 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.941 -0.859 -7.663 1.00 0.00 O ATOM 0 H ASP A 93 1.685 3.437 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 93 1.653 2.940 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.765 1.634 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.186 1.243 -6.323 1.00 0.00 H new ATOM 514 N LEU A 94 -1.181 2.320 -7.259 1.00 0.00 N ATOM 515 CA LEU A 94 -2.604 2.018 -7.440 1.00 0.00 C ATOM 516 C LEU A 94 -3.378 3.133 -8.166 1.00 0.00 C ATOM 517 O LEU A 94 -4.099 2.884 -9.137 1.00 0.00 O ATOM 518 CB LEU A 94 -3.246 1.703 -6.075 1.00 0.00 C ATOM 519 CG LEU A 94 -4.318 0.605 -6.092 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.389 0.798 -7.158 1.00 0.00 C ATOM 521 CD2 LEU A 94 -3.687 -0.768 -6.274 1.00 0.00 C ATOM 0 H LEU A 94 -0.877 2.219 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.666 1.143 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.459 1.408 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.692 2.617 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.810 0.677 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.108 -0.019 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.903 1.745 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.924 0.807 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.467 -1.529 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.142 -0.796 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.999 -0.964 -5.452 1.00 0.00 H new ATOM 533 N VAL A 95 -3.225 4.380 -7.710 1.00 0.00 N ATOM 534 CA VAL A 95 -3.878 5.533 -8.332 1.00 0.00 C ATOM 535 C VAL A 95 -3.588 5.603 -9.842 1.00 0.00 C ATOM 536 O VAL A 95 -4.509 5.870 -10.625 1.00 0.00 O ATOM 537 CB VAL A 95 -3.504 6.833 -7.597 1.00 0.00 C ATOM 538 CG1 VAL A 95 -4.028 8.071 -8.334 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.109 6.845 -6.186 1.00 0.00 C ATOM 0 H VAL A 95 -2.648 4.617 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.956 5.407 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.415 6.865 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.744 8.969 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.599 8.107 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.114 8.018 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.835 7.771 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.195 6.777 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.728 5.996 -5.619 1.00 0.00 H new ATOM 549 N ASN A 96 -2.338 5.323 -10.229 1.00 0.00 N ATOM 550 CA ASN A 96 -1.871 5.206 -11.613 1.00 0.00 C ATOM 551 C ASN A 96 -2.460 3.980 -12.341 1.00 0.00 C ATOM 552 O ASN A 96 -3.033 4.132 -13.418 1.00 0.00 O ATOM 553 CB ASN A 96 -0.327 5.284 -11.643 1.00 0.00 C ATOM 554 CG ASN A 96 0.362 4.157 -12.407 1.00 0.00 C ATOM 555 OD1 ASN A 96 0.601 4.258 -13.602 1.00 0.00 O ATOM 556 ND2 ASN A 96 0.695 3.071 -11.731 1.00 0.00 N ATOM 0 H ASN A 96 -1.591 5.165 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.250 6.050 -12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.035 6.235 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.042 5.285 -10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.160 2.297 -12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.487 3.007 -10.735 1.00 0.00 H new ATOM 563 N GLN A 97 -2.363 2.779 -11.757 1.00 0.00 N ATOM 564 CA GLN A 97 -2.859 1.534 -12.363 1.00 0.00 C ATOM 565 C GLN A 97 -4.324 1.636 -12.814 1.00 0.00 C ATOM 566 O GLN A 97 -4.708 1.123 -13.861 1.00 0.00 O ATOM 567 CB GLN A 97 -2.720 0.358 -11.386 1.00 0.00 C ATOM 568 CG GLN A 97 -1.271 0.058 -10.987 1.00 0.00 C ATOM 569 CD GLN A 97 -0.365 -0.384 -12.127 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.805 -0.845 -13.174 1.00 0.00 O ATOM 571 NE2 GLN A 97 0.934 -0.249 -11.945 1.00 0.00 N ATOM 0 H GLN A 97 -1.934 2.641 -10.842 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.244 1.362 -13.246 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.298 0.573 -10.487 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.155 -0.533 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.844 0.951 -10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.274 -0.720 -10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.289 0.136 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.584 -0.529 -12.680 1.00 0.00 H new ATOM 580 N ARG A 98 -5.148 2.305 -12.005 1.00 0.00 N ATOM 581 CA ARG A 98 -6.505 2.684 -12.375 1.00 0.00 C ATOM 582 C ARG A 98 -7.423 1.489 -12.685 1.00 0.00 C ATOM 583 O ARG A 98 -8.147 1.461 -13.678 1.00 0.00 O ATOM 584 CB ARG A 98 -6.432 3.743 -13.493 1.00 0.00 C ATOM 585 CG ARG A 98 -7.761 4.427 -13.845 1.00 0.00 C ATOM 586 CD ARG A 98 -8.597 4.787 -12.615 1.00 0.00 C ATOM 587 NE ARG A 98 -7.759 5.477 -11.615 1.00 0.00 N ATOM 588 CZ ARG A 98 -7.981 5.561 -10.305 1.00 0.00 C ATOM 589 NH1 ARG A 98 -9.083 5.067 -9.767 1.00 0.00 N ATOM 590 NH2 ARG A 98 -7.083 6.150 -9.550 1.00 0.00 N ATOM 0 H ARG A 98 -4.885 2.600 -11.065 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.996 3.133 -11.512 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.716 4.510 -13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.038 3.270 -14.392 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.556 5.333 -14.415 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.341 3.768 -14.491 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.430 5.427 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.026 3.884 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.920 5.939 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.779 4.613 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.237 5.140 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.235 6.532 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.233 6.225 -8.544 1.00 0.00 H new ATOM 604 N LEU A 99 -7.445 0.532 -11.761 1.00 0.00 N ATOM 605 CA LEU A 99 -8.403 -0.569 -11.773 1.00 0.00 C ATOM 606 C LEU A 99 -9.832 -0.061 -11.487 1.00 0.00 C ATOM 607 O LEU A 99 -10.017 1.059 -11.002 1.00 0.00 O ATOM 608 CB LEU A 99 -7.946 -1.645 -10.783 1.00 0.00 C ATOM 609 CG LEU A 99 -6.451 -2.006 -10.897 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.093 -3.078 -9.866 1.00 0.00 C ATOM 611 CD2 LEU A 99 -6.092 -2.514 -12.299 1.00 0.00 C ATOM 0 H LEU A 99 -6.793 0.499 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.437 -1.019 -12.765 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.150 -1.302 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.540 -2.545 -10.941 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.880 -1.097 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.036 -3.328 -9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.296 -2.701 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.692 -3.970 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.030 -2.757 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.677 -3.406 -12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.314 -1.740 -13.034 1.00 0.00 H new ATOM 623 N GLN A 100 -10.858 -0.836 -11.842 1.00 0.00 N ATOM 624 CA GLN A 100 -12.212 -0.305 -11.964 1.00 0.00 C ATOM 625 C GLN A 100 -12.924 -0.286 -10.605 1.00 0.00 C ATOM 626 O GLN A 100 -13.334 0.774 -10.133 1.00 0.00 O ATOM 627 CB GLN A 100 -12.996 -1.106 -13.015 1.00 0.00 C ATOM 628 CG GLN A 100 -12.282 -1.172 -14.377 1.00 0.00 C ATOM 629 CD GLN A 100 -12.701 -2.395 -15.178 1.00 0.00 C ATOM 630 OE1 GLN A 100 -13.351 -2.292 -16.212 1.00 0.00 O ATOM 631 NE2 GLN A 100 -12.325 -3.575 -14.721 1.00 0.00 N ATOM 0 H GLN A 100 -10.775 -1.831 -12.049 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.157 0.730 -12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.157 -2.119 -12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.979 -0.655 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.505 -0.270 -14.948 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.203 -1.192 -14.221 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.784 -3.639 -13.858 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.575 -4.423 -15.231 1.00 0.00 H new ATOM 640 N SER A 101 -13.075 -1.450 -9.974 1.00 0.00 N ATOM 641 CA SER A 101 -13.850 -1.622 -8.746 1.00 0.00 C ATOM 642 C SER A 101 -13.014 -1.950 -7.500 1.00 0.00 C ATOM 643 O SER A 101 -11.847 -2.349 -7.561 1.00 0.00 O ATOM 644 CB SER A 101 -14.931 -2.688 -8.967 1.00 0.00 C ATOM 645 OG SER A 101 -14.384 -3.987 -8.843 1.00 0.00 O ATOM 0 H SER A 101 -12.654 -2.317 -10.309 1.00 0.00 H new ATOM 0 HA SER A 101 -14.303 -0.653 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.734 -2.555 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.372 -2.566 -9.956 1.00 0.00 H new ATOM 0 HG SER A 101 -13.698 -4.120 -9.530 1.00 0.00 H new ATOM 651 N GLU A 102 -13.656 -1.824 -6.340 1.00 0.00 N ATOM 652 CA GLU A 102 -13.127 -2.145 -5.020 1.00 0.00 C ATOM 653 C GLU A 102 -12.514 -3.560 -4.978 1.00 0.00 C ATOM 654 O GLU A 102 -11.519 -3.819 -4.308 1.00 0.00 O ATOM 655 CB GLU A 102 -14.233 -1.984 -3.961 1.00 0.00 C ATOM 656 CG GLU A 102 -15.100 -0.721 -4.154 1.00 0.00 C ATOM 657 CD GLU A 102 -16.387 -1.021 -4.898 1.00 0.00 C ATOM 658 OE1 GLU A 102 -16.303 -1.505 -6.047 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.439 -1.098 -4.234 1.00 0.00 O ATOM 0 H GLU A 102 -14.613 -1.475 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.321 -1.447 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.877 -2.863 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -13.775 -1.952 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.336 -0.292 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.531 0.029 -4.703 1.00 0.00 H new ATOM 666 N GLN A 103 -13.104 -4.493 -5.726 1.00 0.00 N ATOM 667 CA GLN A 103 -12.583 -5.846 -5.870 1.00 0.00 C ATOM 668 C GLN A 103 -11.182 -5.869 -6.488 1.00 0.00 C ATOM 669 O GLN A 103 -10.305 -6.602 -6.030 1.00 0.00 O ATOM 670 CB GLN A 103 -13.581 -6.642 -6.721 1.00 0.00 C ATOM 671 CG GLN A 103 -13.114 -8.046 -7.129 1.00 0.00 C ATOM 672 CD GLN A 103 -12.996 -8.975 -5.937 1.00 0.00 C ATOM 673 OE1 GLN A 103 -13.930 -9.689 -5.601 1.00 0.00 O ATOM 674 NE2 GLN A 103 -11.864 -8.972 -5.270 1.00 0.00 N ATOM 0 H GLN A 103 -13.962 -4.327 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.476 -6.299 -4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.515 -6.733 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.800 -6.072 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.817 -8.467 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.149 -7.975 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.098 -8.368 -5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.751 -9.573 -4.454 1.00 0.00 H new ATOM 683 N GLU A 104 -10.978 -5.106 -7.551 1.00 0.00 N ATOM 684 CA GLU A 104 -9.713 -5.085 -8.259 1.00 0.00 C ATOM 685 C GLU A 104 -8.652 -4.343 -7.444 1.00 0.00 C ATOM 686 O GLU A 104 -7.525 -4.826 -7.309 1.00 0.00 O ATOM 687 CB GLU A 104 -9.923 -4.431 -9.617 1.00 0.00 C ATOM 688 CG GLU A 104 -10.943 -5.178 -10.485 1.00 0.00 C ATOM 689 CD GLU A 104 -11.676 -4.195 -11.370 1.00 0.00 C ATOM 690 OE1 GLU A 104 -11.029 -3.593 -12.253 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.860 -3.965 -11.059 1.00 0.00 O ATOM 0 H GLU A 104 -11.686 -4.486 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.354 -6.104 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.259 -3.404 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.970 -4.384 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.437 -5.925 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.652 -5.711 -9.852 1.00 0.00 H new ATOM 698 N VAL A 105 -9.008 -3.197 -6.847 1.00 0.00 N ATOM 699 CA VAL A 105 -8.047 -2.505 -6.001 1.00 0.00 C ATOM 700 C VAL A 105 -7.719 -3.380 -4.789 1.00 0.00 C ATOM 701 O VAL A 105 -6.550 -3.517 -4.463 1.00 0.00 O ATOM 702 CB VAL A 105 -8.452 -1.065 -5.642 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.976 -0.280 -6.849 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.483 -1.031 -4.527 1.00 0.00 C ATOM 0 H VAL A 105 -9.920 -2.749 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.131 -2.361 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.539 -0.581 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.247 0.729 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.201 -0.228 -7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.854 -0.782 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.743 0.004 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.377 -1.570 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.070 -1.503 -3.635 1.00 0.00 H new ATOM 714 N LEU A 106 -8.688 -4.064 -4.159 1.00 0.00 N ATOM 715 CA LEU A 106 -8.303 -4.958 -3.067 1.00 0.00 C ATOM 716 C LEU A 106 -7.413 -6.108 -3.563 1.00 0.00 C ATOM 717 O LEU A 106 -6.407 -6.403 -2.933 1.00 0.00 O ATOM 718 CB LEU A 106 -9.472 -5.338 -2.142 1.00 0.00 C ATOM 719 CG LEU A 106 -10.417 -6.458 -2.597 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.849 -7.864 -2.355 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.737 -6.326 -1.826 1.00 0.00 C ATOM 0 H LEU A 106 -9.684 -4.020 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.659 -4.400 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.054 -5.625 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.071 -4.443 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.558 -6.346 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.566 -8.610 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.915 -7.978 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.663 -8.003 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.421 -7.115 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.544 -6.414 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.185 -5.354 -2.035 1.00 0.00 H new ATOM 733 N ASN A 107 -7.693 -6.727 -4.715 1.00 0.00 N ATOM 734 CA ASN A 107 -6.790 -7.754 -5.257 1.00 0.00 C ATOM 735 C ASN A 107 -5.340 -7.246 -5.386 1.00 0.00 C ATOM 736 O ASN A 107 -4.401 -7.819 -4.819 1.00 0.00 O ATOM 737 CB ASN A 107 -7.299 -8.247 -6.621 1.00 0.00 C ATOM 738 CG ASN A 107 -8.622 -8.996 -6.547 1.00 0.00 C ATOM 739 OD1 ASN A 107 -9.002 -9.541 -5.519 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.349 -9.053 -7.651 1.00 0.00 N ATOM 0 H ASN A 107 -8.520 -6.542 -5.282 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.785 -8.583 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.413 -7.392 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.547 -8.899 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.237 -9.555 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.022 -8.595 -8.501 1.00 0.00 H new ATOM 747 N TYR A 108 -5.155 -6.157 -6.127 1.00 0.00 N ATOM 748 CA TYR A 108 -3.837 -5.587 -6.379 1.00 0.00 C ATOM 749 C TYR A 108 -3.189 -5.037 -5.095 1.00 0.00 C ATOM 750 O TYR A 108 -2.070 -5.421 -4.749 1.00 0.00 O ATOM 751 CB TYR A 108 -3.969 -4.548 -7.494 1.00 0.00 C ATOM 752 CG TYR A 108 -2.648 -4.048 -8.045 1.00 0.00 C ATOM 753 CD1 TYR A 108 -1.880 -3.141 -7.297 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.216 -4.428 -9.329 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.766 -2.520 -7.874 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.019 -3.901 -9.849 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.302 -2.936 -9.128 1.00 0.00 C ATOM 758 OH TYR A 108 0.881 -2.489 -9.614 1.00 0.00 O ATOM 0 H TYR A 108 -5.917 -5.645 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.151 -6.365 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.549 -4.980 -8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.536 -3.697 -7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.149 -2.922 -6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.801 -5.122 -9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.264 -1.719 -7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.652 -4.241 -10.806 1.00 0.00 H new ATOM 0 HH TYR A 108 1.399 -2.081 -8.889 1.00 0.00 H new ATOM 768 N ILE A 109 -3.885 -4.171 -4.349 1.00 0.00 N ATOM 769 CA ILE A 109 -3.401 -3.655 -3.066 1.00 0.00 C ATOM 770 C ILE A 109 -2.958 -4.804 -2.156 1.00 0.00 C ATOM 771 O ILE A 109 -1.851 -4.786 -1.642 1.00 0.00 O ATOM 772 CB ILE A 109 -4.439 -2.809 -2.303 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.806 -1.507 -3.021 1.00 0.00 C ATOM 774 CG2 ILE A 109 -3.869 -2.441 -0.923 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.011 -0.850 -2.339 1.00 0.00 C ATOM 0 H ILE A 109 -4.800 -3.809 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.563 -3.005 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.342 -3.415 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.956 -0.825 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.037 -1.712 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.597 -1.842 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.655 -3.351 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.950 -1.868 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.263 0.075 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.863 -1.529 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.765 -0.628 -1.301 1.00 0.00 H new ATOM 787 N GLU A 110 -3.799 -5.811 -1.915 1.00 0.00 N ATOM 788 CA GLU A 110 -3.459 -6.928 -1.035 1.00 0.00 C ATOM 789 C GLU A 110 -2.175 -7.657 -1.486 1.00 0.00 C ATOM 790 O GLU A 110 -1.349 -8.050 -0.650 1.00 0.00 O ATOM 791 CB GLU A 110 -4.673 -7.858 -0.922 1.00 0.00 C ATOM 792 CG GLU A 110 -5.857 -7.150 -0.235 1.00 0.00 C ATOM 793 CD GLU A 110 -5.699 -7.007 1.252 1.00 0.00 C ATOM 794 OE1 GLU A 110 -5.591 -8.052 1.927 1.00 0.00 O ATOM 795 OE2 GLU A 110 -5.777 -5.867 1.746 1.00 0.00 O ATOM 0 H GLU A 110 -4.732 -5.875 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.226 -6.547 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.972 -8.191 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.400 -8.749 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.981 -6.160 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.771 -7.707 -0.442 1.00 0.00 H new ATOM 802 N THR A 111 -1.978 -7.794 -2.800 1.00 0.00 N ATOM 803 CA THR A 111 -0.721 -8.273 -3.381 1.00 0.00 C ATOM 804 C THR A 111 0.465 -7.360 -3.022 1.00 0.00 C ATOM 805 O THR A 111 1.400 -7.798 -2.350 1.00 0.00 O ATOM 806 CB THR A 111 -0.864 -8.469 -4.900 1.00 0.00 C ATOM 807 OG1 THR A 111 -1.976 -9.302 -5.158 1.00 0.00 O ATOM 808 CG2 THR A 111 0.363 -9.161 -5.493 1.00 0.00 C ATOM 0 H THR A 111 -2.691 -7.574 -3.495 1.00 0.00 H new ATOM 0 HA THR A 111 -0.500 -9.246 -2.942 1.00 0.00 H new ATOM 0 HB THR A 111 -0.981 -7.483 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.802 -8.782 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.228 -9.283 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.249 -8.554 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.488 -10.139 -5.029 1.00 0.00 H new ATOM 816 N GLN A 112 0.423 -6.079 -3.393 1.00 0.00 N ATOM 817 CA GLN A 112 1.513 -5.139 -3.126 1.00 0.00 C ATOM 818 C GLN A 112 1.778 -4.933 -1.617 1.00 0.00 C ATOM 819 O GLN A 112 2.917 -4.807 -1.178 1.00 0.00 O ATOM 820 CB GLN A 112 1.224 -3.814 -3.841 1.00 0.00 C ATOM 821 CG GLN A 112 1.074 -3.902 -5.366 1.00 0.00 C ATOM 822 CD GLN A 112 2.382 -4.217 -6.065 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.891 -5.327 -5.979 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.965 -3.254 -6.747 1.00 0.00 N ATOM 0 H GLN A 112 -0.367 -5.664 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 112 2.433 -5.568 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.308 -3.391 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.029 -3.116 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.341 -4.671 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.683 -2.957 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.527 -2.335 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.855 -3.427 -7.214 1.00 0.00 H new ATOM 833 N ARG A 113 0.738 -4.962 -0.785 1.00 0.00 N ATOM 834 CA ARG A 113 0.846 -5.031 0.670 1.00 0.00 C ATOM 835 C ARG A 113 1.644 -6.276 1.083 1.00 0.00 C ATOM 836 O ARG A 113 2.516 -6.237 1.951 1.00 0.00 O ATOM 837 CB ARG A 113 -0.546 -5.086 1.335 1.00 0.00 C ATOM 838 CG ARG A 113 -1.310 -3.759 1.402 1.00 0.00 C ATOM 839 CD ARG A 113 -2.645 -3.959 2.144 1.00 0.00 C ATOM 840 NE ARG A 113 -2.449 -4.262 3.585 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.205 -5.079 4.339 1.00 0.00 C ATOM 842 NH1 ARG A 113 -4.209 -5.765 3.840 1.00 0.00 N ATOM 843 NH2 ARG A 113 -2.977 -5.250 5.630 1.00 0.00 N ATOM 0 H ARG A 113 -0.227 -4.937 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 113 1.360 -4.130 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.157 -5.808 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.428 -5.466 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.708 -3.008 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.496 -3.385 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.252 -3.059 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.200 -4.772 1.676 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.663 -3.805 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.437 -5.687 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.760 -6.375 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.209 -4.755 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.570 -5.877 6.174 1.00 0.00 H new ATOM 857 N THR A 114 1.319 -7.427 0.497 1.00 0.00 N ATOM 858 CA THR A 114 2.048 -8.674 0.740 1.00 0.00 C ATOM 859 C THR A 114 3.528 -8.617 0.349 1.00 0.00 C ATOM 860 O THR A 114 4.370 -9.000 1.163 1.00 0.00 O ATOM 861 CB THR A 114 1.260 -9.873 0.210 1.00 0.00 C ATOM 862 OG1 THR A 114 0.067 -9.904 0.980 1.00 0.00 O ATOM 863 CG2 THR A 114 1.999 -11.197 0.397 1.00 0.00 C ATOM 0 H THR A 114 0.544 -7.523 -0.159 1.00 0.00 H new ATOM 0 HA THR A 114 2.114 -8.821 1.818 1.00 0.00 H new ATOM 0 HB THR A 114 1.092 -9.762 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.596 -9.304 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.392 -12.012 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 114 2.949 -11.162 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.184 -11.364 1.458 1.00 0.00 H new ATOM 871 N TYR A 115 3.860 -8.040 -0.809 1.00 0.00 N ATOM 872 CA TYR A 115 5.230 -7.579 -1.051 1.00 0.00 C ATOM 873 C TYR A 115 5.742 -6.741 0.127 1.00 0.00 C ATOM 874 O TYR A 115 6.716 -7.123 0.768 1.00 0.00 O ATOM 875 CB TYR A 115 5.332 -6.820 -2.385 1.00 0.00 C ATOM 876 CG TYR A 115 6.586 -5.968 -2.526 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.835 -6.589 -2.696 1.00 0.00 C ATOM 878 CD2 TYR A 115 6.520 -4.565 -2.382 1.00 0.00 C ATOM 879 CE1 TYR A 115 9.009 -5.816 -2.720 1.00 0.00 C ATOM 880 CE2 TYR A 115 7.700 -3.796 -2.413 1.00 0.00 C ATOM 881 CZ TYR A 115 8.943 -4.420 -2.586 1.00 0.00 C ATOM 882 OH TYR A 115 10.091 -3.701 -2.542 1.00 0.00 O ATOM 0 H TYR A 115 3.212 -7.883 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 115 5.875 -8.454 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.302 -7.540 -3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.457 -6.179 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.893 -7.662 -2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.564 -4.081 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.967 -6.299 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.647 -2.723 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 115 10.836 -4.288 -2.295 1.00 0.00 H new ATOM 892 N TRP A 116 5.069 -5.644 0.476 1.00 0.00 N ATOM 893 CA TRP A 116 5.532 -4.755 1.534 1.00 0.00 C ATOM 894 C TRP A 116 5.848 -5.431 2.871 1.00 0.00 C ATOM 895 O TRP A 116 6.878 -5.127 3.479 1.00 0.00 O ATOM 896 CB TRP A 116 4.597 -3.555 1.711 1.00 0.00 C ATOM 897 CG TRP A 116 4.912 -2.430 0.785 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.059 -1.821 -0.066 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.208 -1.807 0.569 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.739 -0.874 -0.802 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.074 -0.839 -0.465 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.493 -1.983 1.132 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.162 -0.095 -0.926 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.596 -1.262 0.650 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.428 -0.302 -0.358 1.00 0.00 C ATOM 0 H TRP A 116 4.196 -5.351 0.036 1.00 0.00 H new ATOM 0 HA TRP A 116 6.499 -4.396 1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.568 -3.876 1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.661 -3.200 2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.006 -2.042 -0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.308 -0.275 -1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.627 -2.682 1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.030 0.633 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.579 -1.447 1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.273 0.278 -0.697 1.00 0.00 H new ATOM 916 N LYS A 117 5.014 -6.354 3.358 1.00 0.00 N ATOM 917 CA LYS A 117 5.422 -7.112 4.540 1.00 0.00 C ATOM 918 C LYS A 117 6.731 -7.895 4.319 1.00 0.00 C ATOM 919 O LYS A 117 7.647 -7.763 5.131 1.00 0.00 O ATOM 920 CB LYS A 117 4.292 -7.940 5.191 1.00 0.00 C ATOM 921 CG LYS A 117 3.404 -8.778 4.262 1.00 0.00 C ATOM 922 CD LYS A 117 2.470 -9.648 5.126 1.00 0.00 C ATOM 923 CE LYS A 117 1.438 -10.512 4.373 1.00 0.00 C ATOM 924 NZ LYS A 117 0.355 -9.737 3.713 1.00 0.00 N ATOM 0 H LYS A 117 4.098 -6.586 2.975 1.00 0.00 H new ATOM 0 HA LYS A 117 5.652 -6.362 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.744 -8.612 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.649 -7.255 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.820 -8.129 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.018 -9.407 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.087 -10.308 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.931 -8.993 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.958 -11.102 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.989 -11.215 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.562 -10.190 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.345 -8.767 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.522 -9.711 2.687 1.00 0.00 H new ATOM 938 N LEU A 118 6.875 -8.647 3.223 1.00 0.00 N ATOM 939 CA LEU A 118 8.122 -9.382 2.970 1.00 0.00 C ATOM 940 C LEU A 118 9.341 -8.450 2.790 1.00 0.00 C ATOM 941 O LEU A 118 10.409 -8.672 3.360 1.00 0.00 O ATOM 942 CB LEU A 118 7.943 -10.330 1.777 1.00 0.00 C ATOM 943 CG LEU A 118 6.876 -11.412 2.022 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.683 -12.214 0.729 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.253 -12.374 3.156 1.00 0.00 C ATOM 0 H LEU A 118 6.158 -8.763 2.507 1.00 0.00 H new ATOM 0 HA LEU A 118 8.338 -9.978 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.668 -9.749 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.896 -10.811 1.556 1.00 0.00 H new ATOM 0 HG LEU A 118 5.957 -10.907 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.929 -12.985 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.356 -11.546 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.626 -12.682 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.463 -13.115 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.187 -12.878 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.377 -11.813 4.083 1.00 0.00 H new ATOM 957 N GLU A 119 9.185 -7.357 2.048 1.00 0.00 N ATOM 958 CA GLU A 119 10.196 -6.317 1.911 1.00 0.00 C ATOM 959 C GLU A 119 10.637 -5.775 3.283 1.00 0.00 C ATOM 960 O GLU A 119 11.821 -5.729 3.612 1.00 0.00 O ATOM 961 CB GLU A 119 9.647 -5.224 0.987 1.00 0.00 C ATOM 962 CG GLU A 119 10.699 -4.152 0.653 1.00 0.00 C ATOM 963 CD GLU A 119 11.923 -4.687 -0.059 1.00 0.00 C ATOM 964 OE1 GLU A 119 11.785 -5.352 -1.108 1.00 0.00 O ATOM 965 OE2 GLU A 119 13.033 -4.523 0.478 1.00 0.00 O ATOM 0 H GLU A 119 8.336 -7.167 1.516 1.00 0.00 H new ATOM 0 HA GLU A 119 11.098 -6.731 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.291 -5.679 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.788 -4.750 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.236 -3.386 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.013 -3.666 1.577 1.00 0.00 H new ATOM 972 N ASN A 120 9.679 -5.447 4.153 1.00 0.00 N ATOM 973 CA ASN A 120 9.943 -5.022 5.528 1.00 0.00 C ATOM 974 C ASN A 120 10.426 -6.144 6.464 1.00 0.00 C ATOM 975 O ASN A 120 10.914 -5.866 7.567 1.00 0.00 O ATOM 976 CB ASN A 120 8.719 -4.297 6.081 1.00 0.00 C ATOM 977 CG ASN A 120 8.639 -2.905 5.486 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.451 -2.048 5.798 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.708 -2.671 4.587 1.00 0.00 N ATOM 0 H ASN A 120 8.687 -5.470 3.919 1.00 0.00 H new ATOM 0 HA ASN A 120 10.788 -4.334 5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.814 -4.857 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.780 -4.236 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.654 -1.758 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.040 -3.402 4.342 1.00 0.00 H new ATOM 986 N GLN A 121 10.308 -7.401 6.046 1.00 0.00 N ATOM 987 CA GLN A 121 10.847 -8.571 6.739 1.00 0.00 C ATOM 988 C GLN A 121 12.367 -8.717 6.541 1.00 0.00 C ATOM 989 O GLN A 121 13.067 -9.132 7.460 1.00 0.00 O ATOM 990 CB GLN A 121 10.066 -9.808 6.271 1.00 0.00 C ATOM 991 CG GLN A 121 10.147 -11.022 7.202 1.00 0.00 C ATOM 992 CD GLN A 121 9.065 -12.025 6.821 1.00 0.00 C ATOM 993 OE1 GLN A 121 7.985 -12.024 7.390 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.303 -12.850 5.817 1.00 0.00 N ATOM 0 H GLN A 121 9.817 -7.643 5.185 1.00 0.00 H new ATOM 0 HA GLN A 121 10.716 -8.452 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.018 -9.532 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.434 -10.100 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.131 -11.486 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.019 -10.709 8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.211 -12.839 5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 121 8.579 -13.498 5.507 1.00 0.00 H new ATOM 1003 N LYS A 122 12.906 -8.345 5.371 1.00 0.00 N ATOM 1004 CA LYS A 122 14.335 -8.472 5.084 1.00 0.00 C ATOM 1005 C LYS A 122 15.237 -7.759 6.123 1.00 0.00 C ATOM 1006 O LYS A 122 15.048 -6.575 6.421 1.00 0.00 O ATOM 1007 CB LYS A 122 14.619 -7.978 3.655 1.00 0.00 C ATOM 1008 CG LYS A 122 14.184 -8.986 2.574 1.00 0.00 C ATOM 1009 CD LYS A 122 14.595 -8.523 1.162 1.00 0.00 C ATOM 1010 CE LYS A 122 13.560 -7.550 0.580 1.00 0.00 C ATOM 1011 NZ LYS A 122 14.072 -6.761 -0.562 1.00 0.00 N ATOM 0 H LYS A 122 12.363 -7.950 4.603 1.00 0.00 H new ATOM 0 HA LYS A 122 14.591 -9.529 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.100 -7.033 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.685 -7.778 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.631 -9.958 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 122 13.103 -9.117 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.571 -8.040 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.695 -9.388 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.683 -8.113 0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.232 -6.868 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.274 -6.433 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.602 -5.940 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.700 -7.355 -1.140 1.00 0.00 H new ATOM 1025 N LYS A 123 16.228 -8.487 6.648 1.00 0.00 N ATOM 1026 CA LYS A 123 17.277 -8.022 7.565 1.00 0.00 C ATOM 1027 C LYS A 123 18.084 -6.825 7.045 1.00 0.00 C ATOM 1028 O LYS A 123 18.478 -6.837 5.877 1.00 0.00 O ATOM 1029 CB LYS A 123 18.254 -9.190 7.823 1.00 0.00 C ATOM 1030 CG LYS A 123 18.923 -9.765 6.553 1.00 0.00 C ATOM 1031 CD LYS A 123 20.351 -9.239 6.298 1.00 0.00 C ATOM 1032 CE LYS A 123 20.698 -9.302 4.799 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.105 -8.162 4.067 1.00 0.00 N ATOM 0 H LYS A 123 16.326 -9.479 6.431 1.00 0.00 H new ATOM 0 HA LYS A 123 16.771 -7.689 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.033 -8.850 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.715 -9.992 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.957 -10.851 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.301 -9.529 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.433 -8.211 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.068 -9.831 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.781 -9.296 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.333 -10.238 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.177 -8.331 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.104 -8.062 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.616 -7.290 4.310 1.00 0.00 H new ATOM 1047 N LEU A 124 18.416 -5.871 7.925 1.00 0.00 N ATOM 1048 CA LEU A 124 19.643 -5.069 7.840 1.00 0.00 C ATOM 1049 C LEU A 124 20.627 -5.562 8.914 1.00 0.00 C ATOM 1050 O LEU A 124 20.234 -5.788 10.053 1.00 0.00 O ATOM 1051 CB LEU A 124 19.360 -3.564 8.012 1.00 0.00 C ATOM 1052 CG LEU A 124 20.135 -2.634 7.048 1.00 0.00 C ATOM 1053 CD1 LEU A 124 20.057 -1.192 7.541 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.631 -2.899 6.865 1.00 0.00 C ATOM 0 H LEU A 124 17.832 -5.632 8.726 1.00 0.00 H new ATOM 0 HA LEU A 124 20.077 -5.195 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.292 -3.393 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.600 -3.280 9.037 1.00 0.00 H new ATOM 0 HG LEU A 124 19.644 -2.831 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.605 -0.544 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 124 19.014 -0.877 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 124 20.496 -1.123 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.046 -2.174 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 124 22.137 -2.806 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 124 21.777 -3.906 6.474 1.00 0.00 H new ATOM 1066 N TYR A 125 21.900 -5.735 8.563 1.00 0.00 N ATOM 1067 CA TYR A 125 22.970 -6.098 9.504 1.00 0.00 C ATOM 1068 C TYR A 125 23.398 -4.942 10.437 1.00 0.00 C ATOM 1069 O TYR A 125 24.273 -5.107 11.281 1.00 0.00 O ATOM 1070 CB TYR A 125 24.157 -6.682 8.718 1.00 0.00 C ATOM 1071 CG TYR A 125 24.403 -6.030 7.371 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.848 -4.696 7.299 1.00 0.00 C ATOM 1073 CD2 TYR A 125 23.988 -6.694 6.199 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.863 -4.028 6.062 1.00 0.00 C ATOM 1075 CE2 TYR A 125 23.988 -6.016 4.970 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.444 -4.693 4.903 1.00 0.00 C ATOM 1077 OH TYR A 125 24.488 -4.073 3.699 1.00 0.00 O ATOM 0 H TYR A 125 22.227 -5.626 7.603 1.00 0.00 H new ATOM 0 HA TYR A 125 22.575 -6.857 10.179 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.059 -6.587 9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.986 -7.748 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.177 -4.187 8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.670 -7.725 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.197 -3.003 6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.637 -6.513 4.078 1.00 0.00 H new ATOM 0 HH TYR A 125 25.200 -3.400 3.703 1.00 0.00 H new ATOM 1087 N ARG A 126 22.779 -3.767 10.298 1.00 0.00 N ATOM 1088 CA ARG A 126 22.999 -2.577 11.121 1.00 0.00 C ATOM 1089 C ARG A 126 24.383 -1.935 10.940 1.00 0.00 C ATOM 1090 O ARG A 126 24.470 -0.834 10.406 1.00 0.00 O ATOM 1091 CB ARG A 126 22.656 -2.844 12.599 1.00 0.00 C ATOM 1092 CG ARG A 126 21.246 -3.415 12.811 1.00 0.00 C ATOM 1093 CD ARG A 126 20.179 -2.477 12.238 1.00 0.00 C ATOM 1094 NE ARG A 126 18.817 -2.927 12.574 1.00 0.00 N ATOM 1095 CZ ARG A 126 18.126 -2.699 13.692 1.00 0.00 C ATOM 1096 NH1 ARG A 126 18.655 -2.051 14.717 1.00 0.00 N ATOM 1097 NH2 ARG A 126 16.881 -3.124 13.763 1.00 0.00 N ATOM 0 H ARG A 126 22.077 -3.613 9.574 1.00 0.00 H new ATOM 0 HA ARG A 126 22.301 -1.825 10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 126 23.386 -3.540 13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 126 22.750 -1.913 13.159 1.00 0.00 H new ATOM 0 HG2 ARG A 126 21.170 -4.392 12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 126 21.068 -3.566 13.876 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.335 -1.470 12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.287 -2.423 11.155 1.00 0.00 H new ATOM 0 HE ARG A 126 18.343 -3.483 11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.615 -1.711 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.103 -1.891 15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.464 -3.616 12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.334 -2.961 14.608 1.00 0.00 H new ATOM 1284 N LEU B 68 16.830 14.008 2.161 1.00 0.00 N ATOM 1285 CA LEU B 68 18.074 13.225 2.239 1.00 0.00 C ATOM 1286 C LEU B 68 19.323 14.012 2.707 1.00 0.00 C ATOM 1287 O LEU B 68 20.207 14.362 1.931 1.00 0.00 O ATOM 1288 CB LEU B 68 18.263 12.471 0.909 1.00 0.00 C ATOM 1289 CG LEU B 68 17.667 11.048 0.932 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.162 11.046 1.215 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.910 10.388 -0.431 1.00 0.00 C ATOM 0 HA LEU B 68 17.963 12.501 3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.797 13.041 0.105 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.327 12.410 0.681 1.00 0.00 H new ATOM 0 HG LEU B 68 18.157 10.499 1.736 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.794 10.020 1.220 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.974 11.504 2.186 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.645 11.613 0.441 1.00 0.00 H new ATOM 0 HD21 LEU B 68 17.493 9.381 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.429 10.977 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU B 68 18.981 10.336 -0.624 1.00 0.00 H new ATOM 1303 N SER B 69 19.393 14.259 4.016 1.00 0.00 N ATOM 1304 CA SER B 69 20.587 14.697 4.733 1.00 0.00 C ATOM 1305 C SER B 69 21.536 13.518 5.028 1.00 0.00 C ATOM 1306 O SER B 69 21.289 12.377 4.643 1.00 0.00 O ATOM 1307 CB SER B 69 20.151 15.410 6.021 1.00 0.00 C ATOM 1308 OG SER B 69 21.242 16.051 6.673 1.00 0.00 O ATOM 0 H SER B 69 18.585 14.154 4.629 1.00 0.00 H new ATOM 0 HA SER B 69 21.150 15.392 4.109 1.00 0.00 H new ATOM 0 HB2 SER B 69 19.386 16.149 5.785 1.00 0.00 H new ATOM 0 HB3 SER B 69 19.698 14.687 6.699 1.00 0.00 H new ATOM 0 HG SER B 69 20.922 16.494 7.487 1.00 0.00 H new ATOM 1314 N ALA B 70 22.654 13.805 5.690 1.00 0.00 N ATOM 1315 CA ALA B 70 23.787 12.885 5.808 1.00 0.00 C ATOM 1316 C ALA B 70 23.428 11.500 6.379 1.00 0.00 C ATOM 1317 O ALA B 70 23.692 10.473 5.756 1.00 0.00 O ATOM 1318 CB ALA B 70 24.884 13.560 6.636 1.00 0.00 C ATOM 0 H ALA B 70 22.803 14.694 6.167 1.00 0.00 H new ATOM 0 HA ALA B 70 24.140 12.678 4.798 1.00 0.00 H new ATOM 0 HB1 ALA B 70 25.735 12.885 6.732 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.202 14.477 6.140 1.00 0.00 H new ATOM 0 HB3 ALA B 70 24.497 13.799 7.627 1.00 0.00 H new ATOM 1324 N CYS B 71 22.875 11.459 7.592 1.00 0.00 N ATOM 1325 CA CYS B 71 22.652 10.204 8.297 1.00 0.00 C ATOM 1326 C CYS B 71 21.668 9.269 7.578 1.00 0.00 C ATOM 1327 O CYS B 71 21.990 8.104 7.346 1.00 0.00 O ATOM 1328 CB CYS B 71 22.273 10.463 9.759 1.00 0.00 C ATOM 1329 SG CYS B 71 20.743 11.400 9.940 1.00 0.00 S ATOM 0 H CYS B 71 22.573 12.287 8.106 1.00 0.00 H new ATOM 0 HA CYS B 71 23.597 9.661 8.294 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.170 9.509 10.276 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.083 11.004 10.247 1.00 0.00 H new ATOM 0 HG CYS B 71 20.583 11.733 11.186 1.00 0.00 H new ATOM 1335 N GLU B 72 20.487 9.739 7.183 1.00 0.00 N ATOM 1336 CA GLU B 72 19.551 8.884 6.472 1.00 0.00 C ATOM 1337 C GLU B 72 20.115 8.421 5.120 1.00 0.00 C ATOM 1338 O GLU B 72 19.958 7.261 4.765 1.00 0.00 O ATOM 1339 CB GLU B 72 18.168 9.539 6.390 1.00 0.00 C ATOM 1340 CG GLU B 72 18.112 10.799 5.514 1.00 0.00 C ATOM 1341 CD GLU B 72 18.424 12.106 6.209 1.00 0.00 C ATOM 1342 OE1 GLU B 72 19.313 12.200 7.081 1.00 0.00 O ATOM 1343 OE2 GLU B 72 17.755 13.074 5.802 1.00 0.00 O ATOM 0 H GLU B 72 20.162 10.693 7.342 1.00 0.00 H new ATOM 0 HA GLU B 72 19.411 7.966 7.043 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.457 8.810 6.002 1.00 0.00 H new ATOM 0 HB3 GLU B 72 17.842 9.797 7.397 1.00 0.00 H new ATOM 0 HG2 GLU B 72 18.812 10.674 4.688 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.115 10.871 5.079 1.00 0.00 H new ATOM 1350 N VAL B 73 20.849 9.275 4.399 1.00 0.00 N ATOM 1351 CA VAL B 73 21.529 8.881 3.162 1.00 0.00 C ATOM 1352 C VAL B 73 22.524 7.739 3.409 1.00 0.00 C ATOM 1353 O VAL B 73 22.550 6.764 2.665 1.00 0.00 O ATOM 1354 CB VAL B 73 22.198 10.107 2.519 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.136 9.728 1.371 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.125 11.023 1.932 1.00 0.00 C ATOM 0 H VAL B 73 20.988 10.253 4.655 1.00 0.00 H new ATOM 0 HA VAL B 73 20.789 8.496 2.461 1.00 0.00 H new ATOM 0 HB VAL B 73 22.773 10.596 3.305 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.582 10.630 0.952 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.924 9.074 1.745 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.572 9.209 0.596 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.599 11.892 1.476 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.557 10.481 1.176 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.453 11.350 2.725 1.00 0.00 H new ATOM 1366 N ALA B 74 23.319 7.836 4.474 1.00 0.00 N ATOM 1367 CA ALA B 74 24.250 6.767 4.834 1.00 0.00 C ATOM 1368 C ALA B 74 23.507 5.446 5.093 1.00 0.00 C ATOM 1369 O ALA B 74 23.891 4.373 4.632 1.00 0.00 O ATOM 1370 CB ALA B 74 25.067 7.207 6.052 1.00 0.00 C ATOM 0 H ALA B 74 23.337 8.641 5.101 1.00 0.00 H new ATOM 0 HA ALA B 74 24.930 6.583 4.002 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.764 6.416 6.328 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.623 8.112 5.809 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.396 7.407 6.887 1.00 0.00 H new ATOM 1376 N VAL B 75 22.408 5.510 5.841 1.00 0.00 N ATOM 1377 CA VAL B 75 21.659 4.296 6.150 1.00 0.00 C ATOM 1378 C VAL B 75 20.840 3.785 4.934 1.00 0.00 C ATOM 1379 O VAL B 75 20.659 2.581 4.787 1.00 0.00 O ATOM 1380 CB VAL B 75 20.899 4.452 7.477 1.00 0.00 C ATOM 1381 CG1 VAL B 75 20.352 3.101 7.951 1.00 0.00 C ATOM 1382 CG2 VAL B 75 21.871 4.906 8.577 1.00 0.00 C ATOM 0 H VAL B 75 22.024 6.368 6.236 1.00 0.00 H new ATOM 0 HA VAL B 75 22.352 3.474 6.329 1.00 0.00 H new ATOM 0 HB VAL B 75 20.096 5.169 7.308 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.818 3.235 8.892 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.671 2.701 7.200 1.00 0.00 H new ATOM 0 HG13 VAL B 75 21.178 2.405 8.099 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.331 5.016 9.517 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.659 4.162 8.696 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.314 5.862 8.299 1.00 0.00 H new ATOM 1392 N LEU B 76 20.401 4.657 4.016 1.00 0.00 N ATOM 1393 CA LEU B 76 19.835 4.278 2.711 1.00 0.00 C ATOM 1394 C LEU B 76 20.764 3.347 1.911 1.00 0.00 C ATOM 1395 O LEU B 76 20.311 2.406 1.261 1.00 0.00 O ATOM 1396 CB LEU B 76 19.440 5.515 1.893 1.00 0.00 C ATOM 1397 CG LEU B 76 18.185 6.294 2.356 1.00 0.00 C ATOM 1398 CD1 LEU B 76 17.274 6.540 1.150 1.00 0.00 C ATOM 1399 CD2 LEU B 76 17.330 5.638 3.449 1.00 0.00 C ATOM 0 H LEU B 76 20.429 5.666 4.161 1.00 0.00 H new ATOM 0 HA LEU B 76 18.929 3.709 2.917 1.00 0.00 H new ATOM 0 HB2 LEU B 76 20.285 6.204 1.892 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.282 5.202 0.861 1.00 0.00 H new ATOM 0 HG LEU B 76 18.589 7.205 2.799 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.388 7.088 1.469 1.00 0.00 H new ATOM 0 HD12 LEU B 76 17.811 7.122 0.401 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.974 5.585 0.720 1.00 0.00 H new ATOM 0 HD21 LEU B 76 16.483 6.282 3.684 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.965 4.673 3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.934 5.492 4.345 1.00 0.00 H new ATOM 1411 N ASP B 77 22.067 3.585 1.999 1.00 0.00 N ATOM 1412 CA ASP B 77 23.073 2.752 1.353 1.00 0.00 C ATOM 1413 C ASP B 77 23.121 1.380 2.050 1.00 0.00 C ATOM 1414 O ASP B 77 22.891 0.339 1.432 1.00 0.00 O ATOM 1415 CB ASP B 77 24.403 3.523 1.377 1.00 0.00 C ATOM 1416 CG ASP B 77 25.593 2.708 0.910 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.400 1.780 0.101 1.00 0.00 O ATOM 1418 OD2 ASP B 77 26.700 2.969 1.422 1.00 0.00 O ATOM 0 H ASP B 77 22.458 4.367 2.524 1.00 0.00 H new ATOM 0 HA ASP B 77 22.837 2.544 0.309 1.00 0.00 H new ATOM 0 HB2 ASP B 77 24.311 4.407 0.747 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.591 3.873 2.392 1.00 0.00 H new ATOM 1423 N LEU B 78 23.273 1.366 3.381 1.00 0.00 N ATOM 1424 CA LEU B 78 23.163 0.142 4.160 1.00 0.00 C ATOM 1425 C LEU B 78 21.878 -0.642 3.823 1.00 0.00 C ATOM 1426 O LEU B 78 21.924 -1.861 3.665 1.00 0.00 O ATOM 1427 CB LEU B 78 23.281 0.469 5.657 1.00 0.00 C ATOM 1428 CG LEU B 78 24.566 1.210 6.058 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.571 1.418 7.576 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.834 0.450 5.650 1.00 0.00 C ATOM 0 H LEU B 78 23.473 2.198 3.936 1.00 0.00 H new ATOM 0 HA LEU B 78 23.988 -0.519 3.893 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.423 1.074 5.950 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.224 -0.461 6.223 1.00 0.00 H new ATOM 0 HG LEU B 78 24.573 2.165 5.532 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.480 1.943 7.868 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.702 2.009 7.865 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.535 0.450 8.076 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.713 1.017 5.957 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.845 -0.526 6.135 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.847 0.318 4.568 1.00 0.00 H new ATOM 1442 N TYR B 79 20.727 0.021 3.674 1.00 0.00 N ATOM 1443 CA TYR B 79 19.506 -0.619 3.198 1.00 0.00 C ATOM 1444 C TYR B 79 19.676 -1.327 1.846 1.00 0.00 C ATOM 1445 O TYR B 79 19.419 -2.530 1.772 1.00 0.00 O ATOM 1446 CB TYR B 79 18.335 0.373 3.182 1.00 0.00 C ATOM 1447 CG TYR B 79 17.775 0.714 4.546 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.374 -0.308 5.426 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.715 2.047 4.980 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.093 -0.005 6.765 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.551 2.332 6.338 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.372 1.283 7.239 1.00 0.00 C ATOM 1453 OH TYR B 79 17.341 1.522 8.573 1.00 0.00 O ATOM 0 H TYR B 79 20.620 1.014 3.881 1.00 0.00 H new ATOM 0 HA TYR B 79 19.272 -1.409 3.912 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.663 1.293 2.699 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.534 -0.041 2.569 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.283 -1.324 5.070 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.796 2.852 4.265 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.669 -0.752 7.420 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.563 3.354 6.686 1.00 0.00 H new ATOM 0 HH TYR B 79 18.229 1.363 8.955 1.00 0.00 H new ATOM 1463 N GLU B 80 20.094 -0.645 0.783 1.00 0.00 N ATOM 1464 CA GLU B 80 20.089 -1.261 -0.545 1.00 0.00 C ATOM 1465 C GLU B 80 21.255 -2.232 -0.779 1.00 0.00 C ATOM 1466 O GLU B 80 21.062 -3.294 -1.373 1.00 0.00 O ATOM 1467 CB GLU B 80 19.899 -0.191 -1.623 1.00 0.00 C ATOM 1468 CG GLU B 80 18.470 0.393 -1.556 1.00 0.00 C ATOM 1469 CD GLU B 80 17.351 -0.481 -2.142 1.00 0.00 C ATOM 1470 OE1 GLU B 80 17.287 -1.691 -1.821 1.00 0.00 O ATOM 1471 OE2 GLU B 80 16.540 0.088 -2.902 1.00 0.00 O ATOM 0 H GLU B 80 20.435 0.316 0.810 1.00 0.00 H new ATOM 0 HA GLU B 80 19.224 -1.921 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU B 80 20.631 0.605 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU B 80 20.077 -0.623 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU B 80 18.233 0.599 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU B 80 18.466 1.350 -2.078 1.00 0.00 H new ATOM 1478 N GLN B 81 22.422 -1.989 -0.175 1.00 0.00 N ATOM 1479 CA GLN B 81 23.416 -3.053 0.037 1.00 0.00 C ATOM 1480 C GLN B 81 22.765 -4.311 0.639 1.00 0.00 C ATOM 1481 O GLN B 81 22.997 -5.447 0.227 1.00 0.00 O ATOM 1482 CB GLN B 81 24.461 -2.595 1.051 1.00 0.00 C ATOM 1483 CG GLN B 81 25.408 -1.480 0.616 1.00 0.00 C ATOM 1484 CD GLN B 81 26.269 -1.056 1.801 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.351 -1.757 2.812 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.923 0.078 1.702 1.00 0.00 N ATOM 0 H GLN B 81 22.703 -1.073 0.175 1.00 0.00 H new ATOM 0 HA GLN B 81 23.858 -3.273 -0.935 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.939 -2.265 1.949 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.062 -3.460 1.331 1.00 0.00 H new ATOM 0 HG2 GLN B 81 26.040 -1.824 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.838 -0.629 0.243 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.841 0.642 0.856 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.514 0.395 2.471 1.00 0.00 H new ATOM 1495 N SER B 82 21.925 -4.098 1.653 1.00 0.00 N ATOM 1496 CA SER B 82 21.193 -5.146 2.345 1.00 0.00 C ATOM 1497 C SER B 82 19.998 -5.697 1.540 1.00 0.00 C ATOM 1498 O SER B 82 19.359 -6.661 1.982 1.00 0.00 O ATOM 1499 CB SER B 82 20.780 -4.601 3.710 1.00 0.00 C ATOM 1500 OG SER B 82 20.406 -5.648 4.577 1.00 0.00 O ATOM 0 H SER B 82 21.734 -3.166 2.021 1.00 0.00 H new ATOM 0 HA SER B 82 21.844 -6.012 2.470 1.00 0.00 H new ATOM 0 HB2 SER B 82 21.606 -4.039 4.147 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.948 -3.906 3.592 1.00 0.00 H new ATOM 0 HG SER B 82 19.439 -5.613 4.734 1.00 0.00 H new ATOM 1506 N ASN B 83 19.696 -5.094 0.387 1.00 0.00 N ATOM 1507 CA ASN B 83 18.490 -5.257 -0.421 1.00 0.00 C ATOM 1508 C ASN B 83 17.207 -4.940 0.361 1.00 0.00 C ATOM 1509 O ASN B 83 16.320 -5.786 0.478 1.00 0.00 O ATOM 1510 CB ASN B 83 18.455 -6.633 -1.105 1.00 0.00 C ATOM 1511 CG ASN B 83 17.281 -6.744 -2.073 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.340 -7.508 -1.868 1.00 0.00 O ATOM 1513 ND2 ASN B 83 17.284 -5.959 -3.136 1.00 0.00 N ATOM 0 H ASN B 83 20.341 -4.427 -0.037 1.00 0.00 H new ATOM 0 HA ASN B 83 18.532 -4.513 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN B 83 19.389 -6.797 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.381 -7.415 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN B 83 16.503 -5.985 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN B 83 18.067 -5.327 -3.301 1.00 0.00 H new ATOM 1520 N ILE B 84 17.100 -3.735 0.908 1.00 0.00 N ATOM 1521 CA ILE B 84 15.870 -3.203 1.492 1.00 0.00 C ATOM 1522 C ILE B 84 15.369 -1.978 0.713 1.00 0.00 C ATOM 1523 O ILE B 84 15.788 -0.852 0.973 1.00 0.00 O ATOM 1524 CB ILE B 84 16.064 -2.919 2.985 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.295 -4.253 3.709 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.821 -2.222 3.572 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.852 -4.042 5.111 1.00 0.00 C ATOM 0 H ILE B 84 17.883 -3.084 0.960 1.00 0.00 H new ATOM 0 HA ILE B 84 15.088 -3.958 1.409 1.00 0.00 H new ATOM 0 HB ILE B 84 16.921 -2.259 3.119 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.355 -4.802 3.769 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.986 -4.866 3.131 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.979 -2.029 4.633 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.654 -1.278 3.053 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.950 -2.865 3.446 1.00 0.00 H new ATOM 0 HD11 ILE B 84 17.002 -5.008 5.592 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.804 -3.516 5.049 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.148 -3.451 5.697 1.00 0.00 H new ATOM 1539 N ARG B 85 14.370 -2.185 -0.141 1.00 0.00 N ATOM 1540 CA ARG B 85 13.747 -1.101 -0.897 1.00 0.00 C ATOM 1541 C ARG B 85 12.778 -0.322 0.005 1.00 0.00 C ATOM 1542 O ARG B 85 11.562 -0.462 -0.089 1.00 0.00 O ATOM 1543 CB ARG B 85 13.097 -1.645 -2.182 1.00 0.00 C ATOM 1544 CG ARG B 85 13.121 -0.622 -3.330 1.00 0.00 C ATOM 1545 CD ARG B 85 12.303 0.657 -3.095 1.00 0.00 C ATOM 1546 NE ARG B 85 10.855 0.404 -3.228 1.00 0.00 N ATOM 1547 CZ ARG B 85 9.885 1.302 -3.019 1.00 0.00 C ATOM 1548 NH1 ARG B 85 10.069 2.382 -2.288 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.692 1.151 -3.556 1.00 0.00 N ATOM 0 H ARG B 85 13.971 -3.105 -0.328 1.00 0.00 H new ATOM 0 HA ARG B 85 14.505 -0.389 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG B 85 13.618 -2.550 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG B 85 12.065 -1.928 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG B 85 14.157 -0.340 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.752 -1.107 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG B 85 12.515 1.048 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG B 85 12.607 1.421 -3.810 1.00 0.00 H new ATOM 0 HE ARG B 85 10.569 -0.536 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG B 85 10.977 2.558 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG B 85 9.304 3.043 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.495 0.340 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.965 1.845 -3.386 1.00 0.00 H new ATOM 1563 N ILE B 86 13.322 0.502 0.897 1.00 0.00 N ATOM 1564 CA ILE B 86 12.594 1.424 1.776 1.00 0.00 C ATOM 1565 C ILE B 86 11.366 2.089 1.093 1.00 0.00 C ATOM 1566 O ILE B 86 11.506 2.632 -0.006 1.00 0.00 O ATOM 1567 CB ILE B 86 13.609 2.451 2.315 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.653 1.833 3.264 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.908 3.596 3.034 1.00 0.00 C ATOM 1570 CD1 ILE B 86 14.088 1.275 4.581 1.00 0.00 C ATOM 0 H ILE B 86 14.331 0.550 1.036 1.00 0.00 H new ATOM 0 HA ILE B 86 12.156 0.865 2.603 1.00 0.00 H new ATOM 0 HB ILE B 86 14.134 2.827 1.436 1.00 0.00 H new ATOM 0 HG12 ILE B 86 15.168 1.029 2.738 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.401 2.590 3.499 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.651 4.303 3.402 1.00 0.00 H new ATOM 0 HG22 ILE B 86 12.236 4.103 2.342 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.335 3.202 3.873 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.900 0.862 5.179 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.599 2.076 5.136 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.363 0.491 4.363 1.00 0.00 H new ATOM 1582 N PRO B 87 10.163 2.030 1.708 1.00 0.00 N ATOM 1583 CA PRO B 87 9.005 2.812 1.281 1.00 0.00 C ATOM 1584 C PRO B 87 9.309 4.313 1.178 1.00 0.00 C ATOM 1585 O PRO B 87 10.028 4.858 2.012 1.00 0.00 O ATOM 1586 CB PRO B 87 7.921 2.572 2.342 1.00 0.00 C ATOM 1587 CG PRO B 87 8.304 1.254 3.007 1.00 0.00 C ATOM 1588 CD PRO B 87 9.826 1.210 2.864 1.00 0.00 C ATOM 0 HA PRO B 87 8.695 2.500 0.284 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.891 3.386 3.067 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.931 2.512 1.889 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.998 1.229 4.053 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.830 0.404 2.516 1.00 0.00 H new ATOM 0 HD2 PRO B 87 10.310 1.591 3.763 1.00 0.00 H new ATOM 0 HD3 PRO B 87 10.172 0.186 2.726 1.00 0.00 H new ATOM 1596 N SER B 88 8.703 5.003 0.216 1.00 0.00 N ATOM 1597 CA SER B 88 8.685 6.466 0.181 1.00 0.00 C ATOM 1598 C SER B 88 8.209 7.045 1.523 1.00 0.00 C ATOM 1599 O SER B 88 8.835 7.944 2.070 1.00 0.00 O ATOM 1600 CB SER B 88 7.778 6.932 -0.963 1.00 0.00 C ATOM 1601 OG SER B 88 6.452 6.495 -0.743 1.00 0.00 O ATOM 0 H SER B 88 8.210 4.566 -0.562 1.00 0.00 H new ATOM 0 HA SER B 88 9.698 6.829 0.010 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.803 8.019 -1.037 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.145 6.540 -1.911 1.00 0.00 H new ATOM 0 HG SER B 88 6.456 5.545 -0.504 1.00 0.00 H new ATOM 1607 N ASP B 89 7.142 6.484 2.092 1.00 0.00 N ATOM 1608 CA ASP B 89 6.535 6.920 3.341 1.00 0.00 C ATOM 1609 C ASP B 89 7.539 6.942 4.522 1.00 0.00 C ATOM 1610 O ASP B 89 7.612 7.897 5.289 1.00 0.00 O ATOM 1611 CB ASP B 89 5.342 5.976 3.554 1.00 0.00 C ATOM 1612 CG ASP B 89 4.180 6.687 4.192 1.00 0.00 C ATOM 1613 OD1 ASP B 89 4.358 7.241 5.289 1.00 0.00 O ATOM 1614 OD2 ASP B 89 3.067 6.605 3.635 1.00 0.00 O ATOM 0 H ASP B 89 6.662 5.685 1.678 1.00 0.00 H new ATOM 0 HA ASP B 89 6.203 7.957 3.292 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.032 5.558 2.596 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.647 5.139 4.183 1.00 0.00 H new ATOM 1619 N ILE B 90 8.396 5.917 4.628 1.00 0.00 N ATOM 1620 CA ILE B 90 9.536 5.946 5.556 1.00 0.00 C ATOM 1621 C ILE B 90 10.409 7.186 5.331 1.00 0.00 C ATOM 1622 O ILE B 90 10.727 7.908 6.268 1.00 0.00 O ATOM 1623 CB ILE B 90 10.403 4.676 5.413 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.766 3.395 5.970 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.804 4.862 6.023 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.606 3.415 7.488 1.00 0.00 C ATOM 0 H ILE B 90 8.322 5.058 4.083 1.00 0.00 H new ATOM 0 HA ILE B 90 9.124 5.985 6.564 1.00 0.00 H new ATOM 0 HB ILE B 90 10.487 4.538 4.335 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.788 3.253 5.510 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.379 2.539 5.687 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.379 3.944 5.900 1.00 0.00 H new ATOM 0 HG22 ILE B 90 12.315 5.681 5.517 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.711 5.092 7.084 1.00 0.00 H new ATOM 0 HD11 ILE B 90 9.150 2.482 7.818 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.584 3.526 7.956 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.969 4.251 7.776 1.00 0.00 H new ATOM 1638 N ILE B 91 10.849 7.412 4.094 1.00 0.00 N ATOM 1639 CA ILE B 91 11.748 8.507 3.741 1.00 0.00 C ATOM 1640 C ILE B 91 11.102 9.856 4.078 1.00 0.00 C ATOM 1641 O ILE B 91 11.710 10.686 4.750 1.00 0.00 O ATOM 1642 CB ILE B 91 12.144 8.354 2.259 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.997 7.080 2.129 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.903 9.580 1.746 1.00 0.00 C ATOM 1645 CD1 ILE B 91 13.139 6.556 0.696 1.00 0.00 C ATOM 0 H ILE B 91 10.586 6.830 3.298 1.00 0.00 H new ATOM 0 HA ILE B 91 12.665 8.471 4.329 1.00 0.00 H new ATOM 0 HB ILE B 91 11.246 8.272 1.646 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.991 7.280 2.530 1.00 0.00 H new ATOM 0 HG13 ILE B 91 12.556 6.298 2.747 1.00 0.00 H new ATOM 0 HG21 ILE B 91 13.165 9.434 0.698 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.273 10.464 1.843 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.812 9.716 2.331 1.00 0.00 H new ATOM 0 HD11 ILE B 91 13.755 5.657 0.697 1.00 0.00 H new ATOM 0 HD12 ILE B 91 12.153 6.320 0.296 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.610 7.318 0.075 1.00 0.00 H new ATOM 1657 N GLU B 92 9.850 10.038 3.673 1.00 0.00 N ATOM 1658 CA GLU B 92 8.988 11.150 4.062 1.00 0.00 C ATOM 1659 C GLU B 92 9.012 11.397 5.588 1.00 0.00 C ATOM 1660 O GLU B 92 9.399 12.474 6.046 1.00 0.00 O ATOM 1661 CB GLU B 92 7.582 10.827 3.527 1.00 0.00 C ATOM 1662 CG GLU B 92 7.487 11.048 2.006 1.00 0.00 C ATOM 1663 CD GLU B 92 7.327 12.506 1.630 1.00 0.00 C ATOM 1664 OE1 GLU B 92 6.198 13.009 1.805 1.00 0.00 O ATOM 1665 OE2 GLU B 92 8.298 13.114 1.134 1.00 0.00 O ATOM 0 H GLU B 92 9.388 9.388 3.038 1.00 0.00 H new ATOM 0 HA GLU B 92 9.343 12.087 3.632 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.333 9.792 3.761 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.847 11.454 4.032 1.00 0.00 H new ATOM 0 HG2 GLU B 92 8.384 10.652 1.530 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.642 10.482 1.614 1.00 0.00 H new ATOM 1672 N ASP B 93 8.633 10.394 6.385 1.00 0.00 N ATOM 1673 CA ASP B 93 8.607 10.459 7.843 1.00 0.00 C ATOM 1674 C ASP B 93 9.987 10.877 8.391 1.00 0.00 C ATOM 1675 O ASP B 93 10.132 11.879 9.090 1.00 0.00 O ATOM 1676 CB ASP B 93 8.120 9.081 8.331 1.00 0.00 C ATOM 1677 CG ASP B 93 8.038 8.921 9.834 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.294 9.906 10.556 1.00 0.00 O ATOM 1679 OD2 ASP B 93 7.740 7.792 10.272 1.00 0.00 O ATOM 0 H ASP B 93 8.328 9.491 6.021 1.00 0.00 H new ATOM 0 HA ASP B 93 7.925 11.223 8.217 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.134 8.891 7.907 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.789 8.316 7.936 1.00 0.00 H new ATOM 1684 N LEU B 94 11.031 10.156 7.991 1.00 0.00 N ATOM 1685 CA LEU B 94 12.405 10.429 8.424 1.00 0.00 C ATOM 1686 C LEU B 94 12.856 11.867 8.115 1.00 0.00 C ATOM 1687 O LEU B 94 13.334 12.585 8.994 1.00 0.00 O ATOM 1688 CB LEU B 94 13.377 9.397 7.811 1.00 0.00 C ATOM 1689 CG LEU B 94 14.075 8.519 8.855 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.947 9.320 9.826 1.00 0.00 C ATOM 1691 CD2 LEU B 94 13.060 7.674 9.623 1.00 0.00 C ATOM 0 H LEU B 94 10.951 9.362 7.355 1.00 0.00 H new ATOM 0 HA LEU B 94 12.423 10.331 9.509 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.827 8.758 7.120 1.00 0.00 H new ATOM 0 HB3 LEU B 94 14.132 9.923 7.227 1.00 0.00 H new ATOM 0 HG LEU B 94 14.744 7.859 8.302 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.414 8.642 10.540 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.720 9.849 9.269 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.328 10.041 10.361 1.00 0.00 H new ATOM 0 HD21 LEU B 94 13.580 7.060 10.358 1.00 0.00 H new ATOM 0 HD22 LEU B 94 12.353 8.329 10.132 1.00 0.00 H new ATOM 0 HD23 LEU B 94 12.522 7.030 8.927 1.00 0.00 H new ATOM 1703 N VAL B 95 12.682 12.299 6.865 1.00 0.00 N ATOM 1704 CA VAL B 95 12.935 13.666 6.407 1.00 0.00 C ATOM 1705 C VAL B 95 12.133 14.702 7.220 1.00 0.00 C ATOM 1706 O VAL B 95 12.660 15.768 7.551 1.00 0.00 O ATOM 1707 CB VAL B 95 12.670 13.756 4.889 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.713 15.200 4.375 1.00 0.00 C ATOM 1709 CG2 VAL B 95 13.701 12.939 4.094 1.00 0.00 C ATOM 0 H VAL B 95 12.350 11.687 6.119 1.00 0.00 H new ATOM 0 HA VAL B 95 13.982 13.913 6.581 1.00 0.00 H new ATOM 0 HB VAL B 95 11.669 13.351 4.738 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.521 15.210 3.302 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.952 15.791 4.886 1.00 0.00 H new ATOM 0 HG13 VAL B 95 13.696 15.627 4.571 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.488 13.022 3.028 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.702 13.322 4.295 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.646 11.893 4.394 1.00 0.00 H new ATOM 1719 N ASN B 96 10.882 14.402 7.587 1.00 0.00 N ATOM 1720 CA ASN B 96 10.130 15.232 8.531 1.00 0.00 C ATOM 1721 C ASN B 96 10.813 15.292 9.908 1.00 0.00 C ATOM 1722 O ASN B 96 11.162 16.376 10.382 1.00 0.00 O ATOM 1723 CB ASN B 96 8.672 14.768 8.668 1.00 0.00 C ATOM 1724 CG ASN B 96 7.884 14.877 7.372 1.00 0.00 C ATOM 1725 OD1 ASN B 96 7.968 15.870 6.661 1.00 0.00 O ATOM 1726 ND2 ASN B 96 7.072 13.882 7.065 1.00 0.00 N ATOM 0 H ASN B 96 10.370 13.590 7.243 1.00 0.00 H new ATOM 0 HA ASN B 96 10.120 16.241 8.118 1.00 0.00 H new ATOM 0 HB2 ASN B 96 8.658 13.733 9.008 1.00 0.00 H new ATOM 0 HB3 ASN B 96 8.179 15.363 9.437 1.00 0.00 H new ATOM 0 HD21 ASN B 96 6.500 13.932 6.222 1.00 0.00 H new ATOM 0 HD22 ASN B 96 7.017 13.063 7.671 1.00 0.00 H new ATOM 1733 N GLN B 97 11.014 14.156 10.579 1.00 0.00 N ATOM 1734 CA GLN B 97 11.570 14.156 11.932 1.00 0.00 C ATOM 1735 C GLN B 97 12.984 14.753 11.980 1.00 0.00 C ATOM 1736 O GLN B 97 13.192 15.810 12.584 1.00 0.00 O ATOM 1737 CB GLN B 97 11.532 12.760 12.578 1.00 0.00 C ATOM 1738 CG GLN B 97 10.224 11.962 12.426 1.00 0.00 C ATOM 1739 CD GLN B 97 8.933 12.772 12.480 1.00 0.00 C ATOM 1740 OE1 GLN B 97 8.820 13.762 13.190 1.00 0.00 O ATOM 1741 NE2 GLN B 97 7.932 12.368 11.722 1.00 0.00 N ATOM 0 H GLN B 97 10.801 13.229 10.209 1.00 0.00 H new ATOM 0 HA GLN B 97 10.925 14.804 12.525 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.343 12.167 12.155 1.00 0.00 H new ATOM 0 HB3 GLN B 97 11.740 12.872 13.642 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.255 11.430 11.475 1.00 0.00 H new ATOM 0 HG3 GLN B 97 10.189 11.208 13.212 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.039 11.541 11.134 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.051 12.883 11.723 1.00 0.00 H new ATOM 1750 N ARG B 98 13.930 14.083 11.319 1.00 0.00 N ATOM 1751 CA ARG B 98 15.372 14.340 11.320 1.00 0.00 C ATOM 1752 C ARG B 98 16.066 14.008 12.650 1.00 0.00 C ATOM 1753 O ARG B 98 16.317 14.877 13.482 1.00 0.00 O ATOM 1754 CB ARG B 98 15.693 15.749 10.801 1.00 0.00 C ATOM 1755 CG ARG B 98 15.614 15.743 9.274 1.00 0.00 C ATOM 1756 CD ARG B 98 17.006 15.427 8.732 1.00 0.00 C ATOM 1757 NE ARG B 98 16.934 15.044 7.321 1.00 0.00 N ATOM 1758 CZ ARG B 98 16.423 15.717 6.292 1.00 0.00 C ATOM 1759 NH1 ARG B 98 16.045 16.974 6.356 1.00 0.00 N ATOM 1760 NH2 ARG B 98 16.312 15.118 5.133 1.00 0.00 N ATOM 0 H ARG B 98 13.691 13.289 10.726 1.00 0.00 H new ATOM 0 HA ARG B 98 15.807 13.634 10.613 1.00 0.00 H new ATOM 0 HB2 ARG B 98 14.989 16.472 11.212 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.688 16.053 11.126 1.00 0.00 H new ATOM 0 HG2 ARG B 98 14.894 14.999 8.932 1.00 0.00 H new ATOM 0 HG3 ARG B 98 15.272 16.710 8.906 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.653 16.297 8.846 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.453 14.619 9.311 1.00 0.00 H new ATOM 0 HE ARG B 98 17.332 14.133 7.094 1.00 0.00 H new ATOM 0 HH11 ARG B 98 16.136 17.490 7.231 1.00 0.00 H new ATOM 0 HH12 ARG B 98 15.660 17.434 5.531 1.00 0.00 H new ATOM 0 HH21 ARG B 98 16.615 14.150 5.028 1.00 0.00 H new ATOM 0 HH22 ARG B 98 15.923 15.620 4.335 1.00 0.00 H new ATOM 1774 N LEU B 99 16.422 12.734 12.821 1.00 0.00 N ATOM 1775 CA LEU B 99 17.275 12.267 13.913 1.00 0.00 C ATOM 1776 C LEU B 99 18.756 12.546 13.615 1.00 0.00 C ATOM 1777 O LEU B 99 19.129 12.891 12.489 1.00 0.00 O ATOM 1778 CB LEU B 99 16.992 10.789 14.196 1.00 0.00 C ATOM 1779 CG LEU B 99 15.490 10.460 14.243 1.00 0.00 C ATOM 1780 CD1 LEU B 99 15.306 8.981 14.577 1.00 0.00 C ATOM 1781 CD2 LEU B 99 14.748 11.298 15.292 1.00 0.00 C ATOM 0 H LEU B 99 16.121 11.987 12.195 1.00 0.00 H new ATOM 0 HA LEU B 99 17.040 12.824 14.820 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.467 10.181 13.427 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.448 10.514 15.147 1.00 0.00 H new ATOM 0 HG LEU B 99 15.072 10.694 13.264 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.242 8.745 14.611 1.00 0.00 H new ATOM 0 HD12 LEU B 99 15.788 8.372 13.812 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.756 8.768 15.547 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.691 11.032 15.289 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.169 11.102 16.278 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.856 12.356 15.055 1.00 0.00 H new ATOM 1793 N GLN B 100 19.622 12.472 14.624 1.00 0.00 N ATOM 1794 CA GLN B 100 20.942 13.076 14.514 1.00 0.00 C ATOM 1795 C GLN B 100 21.876 12.158 13.715 1.00 0.00 C ATOM 1796 O GLN B 100 22.354 12.534 12.642 1.00 0.00 O ATOM 1797 CB GLN B 100 21.482 13.426 15.907 1.00 0.00 C ATOM 1798 CG GLN B 100 20.495 14.279 16.726 1.00 0.00 C ATOM 1799 CD GLN B 100 20.706 14.119 18.222 1.00 0.00 C ATOM 1800 OE1 GLN B 100 21.105 15.049 18.908 1.00 0.00 O ATOM 1801 NE2 GLN B 100 20.419 12.945 18.749 1.00 0.00 N ATOM 0 H GLN B 100 19.435 12.007 15.512 1.00 0.00 H new ATOM 0 HA GLN B 100 20.878 14.014 13.962 1.00 0.00 H new ATOM 0 HB2 GLN B 100 21.700 12.506 16.450 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.424 13.965 15.803 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.611 15.328 16.454 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.474 13.995 16.472 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.088 12.186 18.154 1.00 0.00 H new ATOM 0 HE22 GLN B 100 20.528 12.796 19.752 1.00 0.00 H new ATOM 1810 N SER B 101 22.114 10.952 14.221 1.00 0.00 N ATOM 1811 CA SER B 101 23.082 10.008 13.669 1.00 0.00 C ATOM 1812 C SER B 101 22.476 8.821 12.907 1.00 0.00 C ATOM 1813 O SER B 101 21.292 8.496 12.995 1.00 0.00 O ATOM 1814 CB SER B 101 23.988 9.493 14.792 1.00 0.00 C ATOM 1815 OG SER B 101 23.341 8.470 15.521 1.00 0.00 O ATOM 0 H SER B 101 21.629 10.595 15.044 1.00 0.00 H new ATOM 0 HA SER B 101 23.647 10.569 12.924 1.00 0.00 H new ATOM 0 HB2 SER B 101 24.919 9.114 14.371 1.00 0.00 H new ATOM 0 HB3 SER B 101 24.251 10.313 15.460 1.00 0.00 H new ATOM 0 HG SER B 101 22.773 8.870 16.212 1.00 0.00 H new ATOM 1821 N GLU B 102 23.354 8.143 12.173 1.00 0.00 N ATOM 1822 CA GLU B 102 23.146 6.886 11.472 1.00 0.00 C ATOM 1823 C GLU B 102 22.484 5.828 12.376 1.00 0.00 C ATOM 1824 O GLU B 102 21.556 5.125 11.984 1.00 0.00 O ATOM 1825 CB GLU B 102 24.513 6.424 10.939 1.00 0.00 C ATOM 1826 CG GLU B 102 25.224 7.510 10.102 1.00 0.00 C ATOM 1827 CD GLU B 102 26.247 8.334 10.870 1.00 0.00 C ATOM 1828 OE1 GLU B 102 25.866 9.100 11.786 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.459 8.193 10.612 1.00 0.00 O ATOM 0 H GLU B 102 24.305 8.489 12.045 1.00 0.00 H new ATOM 0 HA GLU B 102 22.454 7.027 10.642 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.149 6.143 11.778 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.378 5.531 10.329 1.00 0.00 H new ATOM 0 HG2 GLU B 102 25.722 7.032 9.258 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.472 8.182 9.689 1.00 0.00 H new ATOM 1836 N GLN B 103 22.935 5.746 13.627 1.00 0.00 N ATOM 1837 CA GLN B 103 22.361 4.848 14.622 1.00 0.00 C ATOM 1838 C GLN B 103 20.874 5.142 14.875 1.00 0.00 C ATOM 1839 O GLN B 103 20.036 4.242 14.887 1.00 0.00 O ATOM 1840 CB GLN B 103 23.226 4.937 15.890 1.00 0.00 C ATOM 1841 CG GLN B 103 22.636 4.283 17.150 1.00 0.00 C ATOM 1842 CD GLN B 103 22.298 2.800 17.045 1.00 0.00 C ATOM 1843 OE1 GLN B 103 21.522 2.292 17.839 1.00 0.00 O ATOM 1844 NE2 GLN B 103 22.876 2.056 16.117 1.00 0.00 N ATOM 0 H GLN B 103 23.713 6.304 13.978 1.00 0.00 H new ATOM 0 HA GLN B 103 22.374 3.821 14.258 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.191 4.475 15.682 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.416 5.989 16.104 1.00 0.00 H new ATOM 0 HG2 GLN B 103 23.344 4.416 17.968 1.00 0.00 H new ATOM 0 HG3 GLN B 103 21.729 4.822 17.423 1.00 0.00 H new ATOM 0 HE21 GLN B 103 23.524 2.480 15.454 1.00 0.00 H new ATOM 0 HE22 GLN B 103 22.674 1.058 16.065 1.00 0.00 H new ATOM 1853 N GLU B 104 20.533 6.409 15.062 1.00 0.00 N ATOM 1854 CA GLU B 104 19.166 6.805 15.363 1.00 0.00 C ATOM 1855 C GLU B 104 18.241 6.553 14.175 1.00 0.00 C ATOM 1856 O GLU B 104 17.149 6.003 14.335 1.00 0.00 O ATOM 1857 CB GLU B 104 19.151 8.278 15.743 1.00 0.00 C ATOM 1858 CG GLU B 104 19.993 8.544 16.994 1.00 0.00 C ATOM 1859 CD GLU B 104 20.472 9.983 16.987 1.00 0.00 C ATOM 1860 OE1 GLU B 104 19.632 10.909 16.985 1.00 0.00 O ATOM 1861 OE2 GLU B 104 21.696 10.137 16.816 1.00 0.00 O ATOM 0 H GLU B 104 21.192 7.186 15.010 1.00 0.00 H new ATOM 0 HA GLU B 104 18.799 6.204 16.195 1.00 0.00 H new ATOM 0 HB2 GLU B 104 19.533 8.873 14.913 1.00 0.00 H new ATOM 0 HB3 GLU B 104 18.124 8.599 15.919 1.00 0.00 H new ATOM 0 HG2 GLU B 104 19.403 8.351 17.890 1.00 0.00 H new ATOM 0 HG3 GLU B 104 20.846 7.866 17.022 1.00 0.00 H new ATOM 1868 N VAL B 105 18.679 6.920 12.965 1.00 0.00 N ATOM 1869 CA VAL B 105 17.851 6.668 11.797 1.00 0.00 C ATOM 1870 C VAL B 105 17.706 5.162 11.568 1.00 0.00 C ATOM 1871 O VAL B 105 16.591 4.713 11.332 1.00 0.00 O ATOM 1872 CB VAL B 105 18.291 7.461 10.557 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.368 8.964 10.850 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.630 6.983 10.018 1.00 0.00 C ATOM 0 H VAL B 105 19.572 7.377 12.779 1.00 0.00 H new ATOM 0 HA VAL B 105 16.852 7.055 11.998 1.00 0.00 H new ATOM 0 HB VAL B 105 17.530 7.284 9.797 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.682 9.494 9.951 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.387 9.325 11.160 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.089 9.143 11.647 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.901 7.572 9.142 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.395 7.102 10.786 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.556 5.932 9.740 1.00 0.00 H new ATOM 1884 N LEU B 106 18.758 4.345 11.735 1.00 0.00 N ATOM 1885 CA LEU B 106 18.536 2.899 11.619 1.00 0.00 C ATOM 1886 C LEU B 106 17.575 2.358 12.690 1.00 0.00 C ATOM 1887 O LEU B 106 16.751 1.500 12.383 1.00 0.00 O ATOM 1888 CB LEU B 106 19.828 2.083 11.430 1.00 0.00 C ATOM 1889 CG LEU B 106 20.756 1.896 12.638 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.173 1.020 13.753 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.075 1.286 12.150 1.00 0.00 C ATOM 0 H LEU B 106 19.714 4.637 11.938 1.00 0.00 H new ATOM 0 HA LEU B 106 18.009 2.750 10.677 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.546 1.093 11.071 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.407 2.556 10.637 1.00 0.00 H new ATOM 0 HG LEU B 106 20.901 2.883 13.078 1.00 0.00 H new ATOM 0 HD11 LEU B 106 20.893 0.940 14.567 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.253 1.470 14.125 1.00 0.00 H new ATOM 0 HD13 LEU B 106 19.958 0.026 13.360 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.747 1.146 12.997 1.00 0.00 H new ATOM 0 HD22 LEU B 106 21.878 0.322 11.680 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.539 1.955 11.425 1.00 0.00 H new ATOM 1903 N ASN B 107 17.618 2.874 13.925 1.00 0.00 N ATOM 1904 CA ASN B 107 16.642 2.493 14.951 1.00 0.00 C ATOM 1905 C ASN B 107 15.206 2.828 14.518 1.00 0.00 C ATOM 1906 O ASN B 107 14.354 1.940 14.414 1.00 0.00 O ATOM 1907 CB ASN B 107 16.966 3.173 16.290 1.00 0.00 C ATOM 1908 CG ASN B 107 18.247 2.660 16.927 1.00 0.00 C ATOM 1909 OD1 ASN B 107 18.576 1.483 16.827 1.00 0.00 O ATOM 1910 ND2 ASN B 107 18.962 3.530 17.621 1.00 0.00 N ATOM 0 H ASN B 107 18.314 3.552 14.236 1.00 0.00 H new ATOM 0 HA ASN B 107 16.710 1.413 15.080 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.051 4.248 16.133 1.00 0.00 H new ATOM 0 HB3 ASN B 107 16.137 3.016 16.980 1.00 0.00 H new ATOM 0 HD21 ASN B 107 19.815 3.228 18.093 1.00 0.00 H new ATOM 0 HD22 ASN B 107 18.661 4.502 17.684 1.00 0.00 H new ATOM 1917 N TYR B 108 14.935 4.109 14.268 1.00 0.00 N ATOM 1918 CA TYR B 108 13.609 4.582 13.884 1.00 0.00 C ATOM 1919 C TYR B 108 13.121 3.907 12.596 1.00 0.00 C ATOM 1920 O TYR B 108 12.038 3.330 12.575 1.00 0.00 O ATOM 1921 CB TYR B 108 13.633 6.108 13.781 1.00 0.00 C ATOM 1922 CG TYR B 108 12.274 6.774 13.634 1.00 0.00 C ATOM 1923 CD1 TYR B 108 11.621 6.779 12.387 1.00 0.00 C ATOM 1924 CD2 TYR B 108 11.719 7.503 14.702 1.00 0.00 C ATOM 1925 CE1 TYR B 108 10.512 7.612 12.173 1.00 0.00 C ATOM 1926 CE2 TYR B 108 10.558 8.272 14.503 1.00 0.00 C ATOM 1927 CZ TYR B 108 9.970 8.350 13.231 1.00 0.00 C ATOM 1928 OH TYR B 108 8.842 9.086 13.067 1.00 0.00 O ATOM 0 H TYR B 108 15.634 4.850 14.327 1.00 0.00 H new ATOM 0 HA TYR B 108 12.887 4.304 14.651 1.00 0.00 H new ATOM 0 HB2 TYR B 108 14.120 6.507 14.671 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.250 6.388 12.927 1.00 0.00 H new ATOM 0 HD1 TYR B 108 11.975 6.139 11.592 1.00 0.00 H new ATOM 0 HD2 TYR B 108 12.185 7.472 15.676 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.075 7.684 11.188 1.00 0.00 H new ATOM 0 HE2 TYR B 108 10.117 8.805 15.333 1.00 0.00 H new ATOM 0 HH TYR B 108 8.870 9.539 12.198 1.00 0.00 H new ATOM 1938 N ILE B 109 13.924 3.915 11.531 1.00 0.00 N ATOM 1939 CA ILE B 109 13.585 3.244 10.278 1.00 0.00 C ATOM 1940 C ILE B 109 13.246 1.766 10.506 1.00 0.00 C ATOM 1941 O ILE B 109 12.178 1.319 10.106 1.00 0.00 O ATOM 1942 CB ILE B 109 14.697 3.390 9.227 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.875 4.856 8.807 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.343 2.542 7.997 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.159 5.069 8.002 1.00 0.00 C ATOM 0 H ILE B 109 14.828 4.387 11.514 1.00 0.00 H new ATOM 0 HA ILE B 109 12.696 3.740 9.888 1.00 0.00 H new ATOM 0 HB ILE B 109 15.634 3.046 9.664 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.017 5.169 8.212 1.00 0.00 H new ATOM 0 HG13 ILE B 109 14.895 5.488 9.695 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.129 2.642 7.248 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.252 1.496 8.290 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.397 2.885 7.578 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.245 6.120 7.726 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.019 4.781 8.606 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.129 4.458 7.100 1.00 0.00 H new ATOM 1957 N GLU B 110 14.113 0.978 11.144 1.00 0.00 N ATOM 1958 CA GLU B 110 13.809 -0.427 11.421 1.00 0.00 C ATOM 1959 C GLU B 110 12.512 -0.605 12.238 1.00 0.00 C ATOM 1960 O GLU B 110 11.734 -1.537 11.987 1.00 0.00 O ATOM 1961 CB GLU B 110 15.021 -1.083 12.086 1.00 0.00 C ATOM 1962 CG GLU B 110 16.153 -1.303 11.062 1.00 0.00 C ATOM 1963 CD GLU B 110 16.127 -2.690 10.451 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.625 -3.608 11.142 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.591 -2.824 9.334 1.00 0.00 O ATOM 0 H GLU B 110 15.026 1.286 11.477 1.00 0.00 H new ATOM 0 HA GLU B 110 13.615 -0.934 10.476 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.379 -0.455 12.902 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.729 -2.038 12.524 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.070 -0.560 10.269 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.115 -1.143 11.550 1.00 0.00 H new ATOM 1972 N THR B 111 12.252 0.288 13.195 1.00 0.00 N ATOM 1973 CA THR B 111 10.975 0.334 13.917 1.00 0.00 C ATOM 1974 C THR B 111 9.794 0.572 12.964 1.00 0.00 C ATOM 1975 O THR B 111 8.905 -0.270 12.862 1.00 0.00 O ATOM 1976 CB THR B 111 11.018 1.364 15.056 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.116 1.070 15.895 1.00 0.00 O ATOM 1978 CG2 THR B 111 9.762 1.296 15.921 1.00 0.00 C ATOM 0 H THR B 111 12.919 1.000 13.493 1.00 0.00 H new ATOM 0 HA THR B 111 10.816 -0.643 14.373 1.00 0.00 H new ATOM 0 HB THR B 111 11.097 2.354 14.607 1.00 0.00 H new ATOM 0 HG1 THR B 111 12.946 1.356 15.460 1.00 0.00 H new ATOM 0 HG21 THR B 111 9.827 2.038 16.716 1.00 0.00 H new ATOM 0 HG22 THR B 111 8.885 1.499 15.306 1.00 0.00 H new ATOM 0 HG23 THR B 111 9.675 0.302 16.359 1.00 0.00 H new ATOM 1986 N GLN B 112 9.797 1.664 12.198 1.00 0.00 N ATOM 1987 CA GLN B 112 8.739 1.995 11.248 1.00 0.00 C ATOM 1988 C GLN B 112 8.560 0.931 10.143 1.00 0.00 C ATOM 1989 O GLN B 112 7.443 0.599 9.766 1.00 0.00 O ATOM 1990 CB GLN B 112 8.984 3.399 10.681 1.00 0.00 C ATOM 1991 CG GLN B 112 8.954 4.526 11.722 1.00 0.00 C ATOM 1992 CD GLN B 112 7.573 4.734 12.317 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.142 3.990 13.189 1.00 0.00 O ATOM 1994 NE2 GLN B 112 6.845 5.724 11.847 1.00 0.00 N ATOM 0 H GLN B 112 10.548 2.354 12.222 1.00 0.00 H new ATOM 0 HA GLN B 112 7.790 1.995 11.784 1.00 0.00 H new ATOM 0 HB2 GLN B 112 9.953 3.410 10.181 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.231 3.605 9.921 1.00 0.00 H new ATOM 0 HG2 GLN B 112 9.659 4.297 12.521 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.289 5.454 11.258 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.221 6.333 11.121 1.00 0.00 H new ATOM 0 HE22 GLN B 112 5.905 5.882 12.209 1.00 0.00 H new ATOM 2003 N ARG B 113 9.640 0.315 9.657 1.00 0.00 N ATOM 2004 CA ARG B 113 9.576 -0.884 8.820 1.00 0.00 C ATOM 2005 C ARG B 113 8.817 -2.014 9.534 1.00 0.00 C ATOM 2006 O ARG B 113 8.015 -2.739 8.947 1.00 0.00 O ATOM 2007 CB ARG B 113 10.989 -1.390 8.481 1.00 0.00 C ATOM 2008 CG ARG B 113 11.761 -0.572 7.443 1.00 0.00 C ATOM 2009 CD ARG B 113 13.064 -1.317 7.115 1.00 0.00 C ATOM 2010 NE ARG B 113 12.804 -2.545 6.325 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.481 -3.704 6.390 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.350 -3.986 7.337 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.312 -4.659 5.501 1.00 0.00 N ATOM 0 H ARG B 113 10.591 0.637 9.835 1.00 0.00 H new ATOM 0 HA ARG B 113 9.051 -0.610 7.905 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.574 -1.419 9.400 1.00 0.00 H new ATOM 0 HB3 ARG B 113 10.910 -2.416 8.121 1.00 0.00 H new ATOM 0 HG2 ARG B 113 11.162 -0.439 6.542 1.00 0.00 H new ATOM 0 HG3 ARG B 113 11.980 0.423 7.830 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.730 -0.659 6.557 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.577 -1.580 8.040 1.00 0.00 H new ATOM 0 HE ARG B 113 12.030 -2.506 5.662 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.539 -3.307 8.074 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.834 -4.884 7.334 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.652 -4.531 4.734 1.00 0.00 H new ATOM 0 HH22 ARG B 113 13.841 -5.527 5.578 1.00 0.00 H new ATOM 2027 N THR B 114 9.129 -2.242 10.809 1.00 0.00 N ATOM 2028 CA THR B 114 8.444 -3.227 11.649 1.00 0.00 C ATOM 2029 C THR B 114 6.949 -2.944 11.837 1.00 0.00 C ATOM 2030 O THR B 114 6.144 -3.840 11.584 1.00 0.00 O ATOM 2031 CB THR B 114 9.255 -3.512 12.914 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.492 -4.045 12.458 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.585 -4.531 13.835 1.00 0.00 C ATOM 0 H THR B 114 9.874 -1.742 11.295 1.00 0.00 H new ATOM 0 HA THR B 114 8.412 -4.177 11.116 1.00 0.00 H new ATOM 0 HB THR B 114 9.361 -2.597 13.497 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.094 -3.311 12.213 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.208 -4.691 14.715 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.610 -4.156 14.145 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.459 -5.474 13.303 1.00 0.00 H new ATOM 2041 N TYR B 115 6.574 -1.706 12.149 1.00 0.00 N ATOM 2042 CA TYR B 115 5.203 -1.224 11.980 1.00 0.00 C ATOM 2043 C TYR B 115 4.643 -1.606 10.596 1.00 0.00 C ATOM 2044 O TYR B 115 3.708 -2.394 10.508 1.00 0.00 O ATOM 2045 CB TYR B 115 5.178 0.286 12.252 1.00 0.00 C ATOM 2046 CG TYR B 115 3.940 1.014 11.773 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.745 0.921 12.509 1.00 0.00 C ATOM 2048 CD2 TYR B 115 3.982 1.786 10.594 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.591 1.579 12.052 1.00 0.00 C ATOM 2050 CE2 TYR B 115 2.819 2.425 10.133 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.620 2.296 10.849 1.00 0.00 C ATOM 2052 OH TYR B 115 0.461 2.741 10.305 1.00 0.00 O ATOM 0 H TYR B 115 7.213 -1.006 12.527 1.00 0.00 H new ATOM 0 HA TYR B 115 4.541 -1.707 12.699 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.280 0.446 13.325 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.050 0.737 11.778 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.715 0.346 13.422 1.00 0.00 H new ATOM 0 HD2 TYR B 115 4.907 1.886 10.046 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.680 1.532 12.629 1.00 0.00 H new ATOM 0 HE2 TYR B 115 2.848 3.015 9.229 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.281 2.178 10.610 1.00 0.00 H new ATOM 2062 N TRP B 116 5.258 -1.154 9.502 1.00 0.00 N ATOM 2063 CA TRP B 116 4.791 -1.452 8.150 1.00 0.00 C ATOM 2064 C TRP B 116 4.517 -2.937 7.871 1.00 0.00 C ATOM 2065 O TRP B 116 3.491 -3.270 7.274 1.00 0.00 O ATOM 2066 CB TRP B 116 5.724 -0.849 7.091 1.00 0.00 C ATOM 2067 CG TRP B 116 5.587 0.627 6.874 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.601 1.519 6.834 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.372 1.397 6.619 1.00 0.00 C ATOM 2070 NE1 TRP B 116 6.106 2.782 6.581 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.737 2.764 6.435 1.00 0.00 C ATOM 2072 CE3 TRP B 116 3.003 1.078 6.490 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.795 3.756 6.138 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 2.046 2.079 6.268 1.00 0.00 C ATOM 2075 CH2 TRP B 116 2.439 3.406 6.059 1.00 0.00 C ATOM 0 H TRP B 116 6.094 -0.571 9.530 1.00 0.00 H new ATOM 0 HA TRP B 116 3.816 -0.970 8.080 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.754 -1.062 7.376 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.544 -1.356 6.143 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.644 1.279 6.979 1.00 0.00 H new ATOM 0 HE1 TRP B 116 6.681 3.622 6.511 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.688 0.048 6.563 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 4.108 4.776 5.972 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.997 1.824 6.258 1.00 0.00 H new ATOM 0 HH2 TRP B 116 1.698 4.160 5.837 1.00 0.00 H new ATOM 2086 N LYS B 117 5.392 -3.866 8.272 1.00 0.00 N ATOM 2087 CA LYS B 117 5.024 -5.282 8.151 1.00 0.00 C ATOM 2088 C LYS B 117 3.775 -5.652 8.977 1.00 0.00 C ATOM 2089 O LYS B 117 2.897 -6.338 8.455 1.00 0.00 O ATOM 2090 CB LYS B 117 6.202 -6.265 8.295 1.00 0.00 C ATOM 2091 CG LYS B 117 7.123 -6.056 9.498 1.00 0.00 C ATOM 2092 CD LYS B 117 8.239 -7.119 9.487 1.00 0.00 C ATOM 2093 CE LYS B 117 9.338 -6.866 10.534 1.00 0.00 C ATOM 2094 NZ LYS B 117 10.219 -5.724 10.188 1.00 0.00 N ATOM 0 H LYS B 117 6.315 -3.679 8.664 1.00 0.00 H new ATOM 0 HA LYS B 117 4.724 -5.409 7.111 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.798 -7.276 8.346 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.806 -6.209 7.389 1.00 0.00 H new ATOM 0 HG2 LYS B 117 7.558 -5.057 9.466 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.551 -6.125 10.423 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.798 -8.100 9.665 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.692 -7.148 8.496 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.873 -6.678 11.502 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.944 -7.766 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.215 -5.034 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 11.189 -6.068 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.872 -5.268 9.320 1.00 0.00 H new ATOM 2108 N LEU B 118 3.626 -5.158 10.210 1.00 0.00 N ATOM 2109 CA LEU B 118 2.379 -5.331 10.965 1.00 0.00 C ATOM 2110 C LEU B 118 1.158 -4.739 10.227 1.00 0.00 C ATOM 2111 O LEU B 118 0.146 -5.422 10.069 1.00 0.00 O ATOM 2112 CB LEU B 118 2.506 -4.784 12.394 1.00 0.00 C ATOM 2113 CG LEU B 118 3.576 -5.500 13.234 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.748 -4.750 14.559 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.213 -6.960 13.529 1.00 0.00 C ATOM 0 H LEU B 118 4.349 -4.637 10.706 1.00 0.00 H new ATOM 0 HA LEU B 118 2.202 -6.404 11.042 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.744 -3.721 12.348 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.542 -4.874 12.895 1.00 0.00 H new ATOM 0 HG LEU B 118 4.501 -5.503 12.658 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.505 -5.249 15.164 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.061 -3.725 14.359 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.801 -4.742 15.098 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.003 -7.418 14.125 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.274 -6.997 14.081 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.104 -7.505 12.591 1.00 0.00 H new ATOM 2127 N GLU B 119 1.236 -3.512 9.704 1.00 0.00 N ATOM 2128 CA GLU B 119 0.184 -2.939 8.858 1.00 0.00 C ATOM 2129 C GLU B 119 -0.175 -3.863 7.688 1.00 0.00 C ATOM 2130 O GLU B 119 -1.335 -4.161 7.420 1.00 0.00 O ATOM 2131 CB GLU B 119 0.605 -1.562 8.326 1.00 0.00 C ATOM 2132 CG GLU B 119 0.913 -0.542 9.429 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.199 -0.400 10.449 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.143 0.375 10.207 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.134 -1.093 11.485 1.00 0.00 O ATOM 0 H GLU B 119 2.029 -2.888 9.855 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.703 -2.826 9.482 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.487 -1.680 7.696 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.190 -1.169 7.692 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.829 -0.838 9.941 1.00 0.00 H new ATOM 0 HG3 GLU B 119 1.102 0.429 8.972 1.00 0.00 H new ATOM 2142 N ASN B 120 0.838 -4.352 6.981 1.00 0.00 N ATOM 2143 CA ASN B 120 0.683 -5.218 5.816 1.00 0.00 C ATOM 2144 C ASN B 120 0.331 -6.681 6.150 1.00 0.00 C ATOM 2145 O ASN B 120 -0.061 -7.454 5.267 1.00 0.00 O ATOM 2146 CB ASN B 120 1.936 -5.067 4.961 1.00 0.00 C ATOM 2147 CG ASN B 120 1.883 -3.728 4.245 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.102 -3.554 3.328 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.636 -2.738 4.668 1.00 0.00 N ATOM 0 H ASN B 120 1.813 -4.153 7.207 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.191 -4.897 5.249 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.828 -5.126 5.585 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.999 -5.880 4.237 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.567 -1.821 4.228 1.00 0.00 H new ATOM 0 HD22 ASN B 120 3.290 -2.887 5.437 1.00 0.00 H new ATOM 2156 N GLN B 121 0.438 -7.056 7.422 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.076 -8.292 8.007 1.00 0.00 C ATOM 2158 C GLN B 121 -1.555 -8.154 8.415 1.00 0.00 C ATOM 2159 O GLN B 121 -2.352 -9.056 8.171 1.00 0.00 O ATOM 2160 CB GLN B 121 0.824 -8.631 9.202 1.00 0.00 C ATOM 2161 CG GLN B 121 0.475 -9.933 9.929 1.00 0.00 C ATOM 2162 CD GLN B 121 1.466 -10.186 11.058 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.390 -10.968 10.922 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.317 -9.499 12.180 1.00 0.00 N ATOM 0 H GLN B 121 0.912 -6.473 8.111 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.052 -9.102 7.278 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.855 -8.692 8.855 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.777 -7.810 9.917 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.537 -9.874 10.330 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.492 -10.766 9.227 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.538 -8.848 12.280 1.00 0.00 H new ATOM 0 HE22 GLN B 121 1.981 -9.621 12.945 1.00 0.00 H new ATOM 2173 N LYS B 122 -1.935 -7.033 9.035 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.250 -6.836 9.644 1.00 0.00 C ATOM 2175 C LYS B 122 -4.464 -7.118 8.728 1.00 0.00 C ATOM 2176 O LYS B 122 -4.466 -6.849 7.517 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.340 -5.426 10.260 1.00 0.00 C ATOM 2178 CG LYS B 122 -2.935 -5.367 11.743 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.236 -3.989 12.370 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.321 -2.908 11.780 1.00 0.00 C ATOM 2181 NZ LYS B 122 -2.546 -1.558 12.345 1.00 0.00 N ATOM 0 H LYS B 122 -1.324 -6.222 9.128 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.321 -7.598 10.420 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -2.701 -4.750 9.692 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.362 -5.060 10.158 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.468 -6.141 12.295 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.871 -5.584 11.837 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -4.279 -3.725 12.194 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -3.098 -4.038 13.450 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -1.283 -3.193 11.948 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.470 -2.869 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -1.640 -1.051 12.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.199 -1.030 11.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -2.957 -1.644 13.296 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.513 -7.630 9.379 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.858 -7.942 8.894 1.00 0.00 C ATOM 2197 C LYS B 123 -7.548 -6.764 8.197 1.00 0.00 C ATOM 2198 O LYS B 123 -7.862 -5.783 8.861 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.671 -8.348 10.145 1.00 0.00 C ATOM 2200 CG LYS B 123 -9.160 -8.699 9.953 1.00 0.00 C ATOM 2201 CD LYS B 123 -10.189 -7.542 9.902 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.165 -6.573 11.105 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.636 -5.237 10.739 1.00 0.00 N ATOM 0 H LYS B 123 -5.429 -7.861 10.369 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.796 -8.730 8.143 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -7.180 -9.209 10.598 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.610 -7.531 10.864 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -9.251 -9.265 9.026 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -9.451 -9.367 10.764 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -10.017 -6.967 8.992 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -11.188 -7.971 9.824 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -11.174 -6.466 11.503 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.553 -6.999 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.511 -4.666 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.720 -5.346 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.306 -4.761 10.101 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.912 -6.914 6.921 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.055 -6.212 6.321 1.00 0.00 C ATOM 2219 C LEU B 124 -10.082 -7.252 5.839 1.00 0.00 C ATOM 2220 O LEU B 124 -9.746 -8.109 5.029 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.602 -5.243 5.207 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.761 -4.733 4.327 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -10.931 -4.141 5.094 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.343 -3.628 3.367 1.00 0.00 C ATOM 0 H LEU B 124 -7.422 -7.528 6.270 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.538 -5.583 7.069 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.098 -4.390 5.661 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -7.870 -5.746 4.575 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.059 -5.645 3.810 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.696 -3.810 4.392 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.350 -4.897 5.758 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.587 -3.291 5.683 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.204 -3.314 2.777 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -8.962 -2.779 3.934 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.564 -4.000 2.702 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.325 -7.216 6.316 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.391 -8.171 5.966 1.00 0.00 C ATOM 2238 C TYR B 125 -12.921 -8.095 4.507 1.00 0.00 C ATOM 2239 O TYR B 125 -14.001 -8.598 4.223 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.517 -8.039 7.015 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.860 -6.615 7.430 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.072 -5.625 6.451 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.736 -6.232 8.781 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -13.956 -4.269 6.795 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.677 -4.871 9.126 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.762 -3.889 8.129 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.250 -2.659 8.376 1.00 0.00 O ATOM 0 H TYR B 125 -11.634 -6.503 6.977 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.950 -9.167 5.994 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.416 -8.510 6.619 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.229 -8.599 7.905 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.323 -5.908 5.439 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.686 -6.986 9.553 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.017 -3.514 6.026 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.566 -4.581 10.160 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.139 -2.539 9.342 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.179 -7.485 3.574 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.568 -7.203 2.181 1.00 0.00 C ATOM 2259 C ARG B 126 -13.752 -6.220 2.043 1.00 0.00 C ATOM 2260 O ARG B 126 -13.630 -5.192 1.388 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.804 -8.483 1.352 1.00 0.00 C ATOM 2262 CG ARG B 126 -11.540 -9.121 0.750 1.00 0.00 C ATOM 2263 CD ARG B 126 -10.754 -10.034 1.694 1.00 0.00 C ATOM 2264 NE ARG B 126 -9.812 -9.273 2.531 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.515 -9.032 2.316 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -7.879 -9.397 1.221 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -7.823 -8.406 3.239 1.00 0.00 N ATOM 0 H ARG B 126 -11.236 -7.155 3.780 1.00 0.00 H new ATOM 0 HA ARG B 126 -11.701 -6.694 1.759 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -13.296 -9.221 1.986 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -13.494 -8.249 0.541 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.828 -9.697 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -10.879 -8.325 0.408 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -11.448 -10.581 2.333 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -10.206 -10.775 1.111 1.00 0.00 H new ATOM 0 HE ARG B 126 -10.200 -8.878 3.387 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.379 -9.891 0.482 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -6.887 -9.185 1.113 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.276 -8.112 4.104 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -6.832 -8.214 3.091 1.00 0.00 H new