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 83 ASN : amide:sc= 0.719 K(o=2.8,f=-5.7!) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -143:sc= 2.08 (180deg=-2.77!) USER MOD Set 2.1: B 114 THR OG1 : rot 85:sc= 1.05 USER MOD Set 2.2: B 117 LYS NZ :NH3+ 175:sc= 0.0382 (180deg=-0.93) USER MOD Set 3.1: B 108 TYR OH : rot -120:sc= 1.12 USER MOD Set 3.2: B 112 GLN : amide:sc= 1.17 K(o=2.3,f=0.74) USER MOD Set 4.1: B 103 GLN : amide:sc= -0.399 K(o=0.53,f=-1.4) USER MOD Set 4.2: B 107 ASN : amide:sc= 0.932 K(o=0.53,f=-10!) USER MOD Set 5.1: A 122 LYS NZ :NH3+ 178:sc= 3.15 (180deg=2.08) USER MOD Set 5.2: B 83 ASN : amide:sc= 0.446 K(o=3.6,f=-3.8) USER MOD Set 6.1: A 120 ASN : amide:sc= 0.667 K(o=0.37,f=-5.4!) USER MOD Set 6.2: B 120 ASN : amide:sc= -0.301 K(o=0.37,f=-5.4) USER MOD Set 7.1: A 114 THR OG1 : rot 78:sc= 0.956 USER MOD Set 7.2: A 117 LYS NZ :NH3+ 171:sc= 1.38 (180deg=1.19) USER MOD Set 8.1: A 96 ASN : amide:sc= 0.493 X(o=2.2,f=2.1) USER MOD Set 8.2: A 97 GLN : amide:sc= 0.528 K(o=2.2,f=0.73) USER MOD Set 8.3: A 108 TYR OH : rot 40:sc= 1.17 USER MOD Set 9.1: A 103 GLN : amide:sc= 0.589 K(o=0.93,f=0.2) USER MOD Set 9.2: A 107 ASN : amide:sc= 0.342 K(o=0.93,f=0.2) USER MOD Set10.1: A 82 SER OG : rot -115:sc= 0.225 USER MOD Set10.2: B 123 LYS NZ :NH3+ -158:sc= 1.1 (180deg=-0.666) USER MOD Single : A 69 SER OG : rot 180:sc= 0.129 USER MOD Single : A 71 CYS SG : rot 170:sc= 0.501 USER MOD Single : A 79 TYR OH : rot 90:sc= -0.109 USER MOD Single : A 81 GLN : amide:sc= 1.1 K(o=1.1,f=-0.034) USER MOD Single : A 88 SER OG : rot 91:sc= 0.381 USER MOD Single : A 100 GLN : amide:sc= 0.041 X(o=0.041,f=-0.3) USER MOD Single : A 101 SER OG : rot 30:sc= 1.31 USER MOD Single : A 111 THR OG1 : rot 72:sc= 0.963 USER MOD Single : A 112 GLN : amide:sc= 1.13 K(o=1.1,f=-0.37) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 121 GLN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 154:sc= 0.813 (180deg=-0.068) USER MOD Single : A 125 TYR OH : rot 130:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 CYS SG : rot -158:sc= 0.0284 USER MOD Single : B 79 TYR OH : rot 50:sc= -0.482 USER MOD Single : B 81 GLN : amide:sc= 1.12 K(o=1.1,f=-0.78) USER MOD Single : B 82 SER OG : rot -25:sc= 0.396 USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 96 ASN : amide:sc= 1.07 K(o=1.1,f=-0.074) USER MOD Single : B 97 GLN : amide:sc= 1.23 K(o=1.2,f=-0.51) USER MOD Single : B 100 GLN : amide:sc= 0.829 K(o=0.83,f=-0.1) USER MOD Single : B 101 SER OG : rot -84:sc= 1.22 USER MOD Single : B 111 THR OG1 : rot 79:sc= 0.907 USER MOD Single : B 115 TYR OH : rot -125:sc= 0.44 USER MOD Single : B 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 125 TYR OH : rot 176:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -6.727 8.619 -6.753 1.00 0.00 N ATOM 115 CA LEU A 68 -7.786 8.472 -5.755 1.00 0.00 C ATOM 116 C LEU A 68 -9.177 8.754 -6.357 1.00 0.00 C ATOM 117 O LEU A 68 -9.890 9.683 -5.983 1.00 0.00 O ATOM 118 CB LEU A 68 -7.468 9.143 -4.399 1.00 0.00 C ATOM 119 CG LEU A 68 -6.853 8.151 -3.394 1.00 0.00 C ATOM 120 CD1 LEU A 68 -5.514 7.577 -3.872 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.644 8.855 -2.050 1.00 0.00 C ATOM 0 HA LEU A 68 -7.826 7.421 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.779 9.972 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.382 9.564 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.550 7.319 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.127 6.884 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.660 7.049 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.801 8.389 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.209 8.155 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.971 9.702 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.603 9.209 -1.672 1.00 0.00 H new ATOM 133 N SER A 69 -9.561 7.901 -7.306 1.00 0.00 N ATOM 134 CA SER A 69 -10.907 7.750 -7.855 1.00 0.00 C ATOM 135 C SER A 69 -11.810 6.869 -6.964 1.00 0.00 C ATOM 136 O SER A 69 -11.404 6.401 -5.904 1.00 0.00 O ATOM 137 CB SER A 69 -10.774 7.149 -9.258 1.00 0.00 C ATOM 138 OG SER A 69 -12.027 7.160 -9.928 1.00 0.00 O ATOM 0 H SER A 69 -8.899 7.257 -7.739 1.00 0.00 H new ATOM 0 HA SER A 69 -11.388 8.727 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.042 7.716 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.402 6.127 -9.188 1.00 0.00 H new ATOM 0 HG SER A 69 -11.923 6.774 -10.823 1.00 0.00 H new ATOM 144 N ALA A 70 -13.044 6.624 -7.410 1.00 0.00 N ATOM 145 CA ALA A 70 -14.100 5.965 -6.637 1.00 0.00 C ATOM 146 C ALA A 70 -13.671 4.657 -5.940 1.00 0.00 C ATOM 147 O ALA A 70 -13.672 4.574 -4.716 1.00 0.00 O ATOM 148 CB ALA A 70 -15.314 5.745 -7.546 1.00 0.00 C ATOM 0 H ALA A 70 -13.346 6.887 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.354 6.632 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.107 5.255 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.672 6.706 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.028 5.117 -8.390 1.00 0.00 H new ATOM 154 N CYS A 71 -13.329 3.622 -6.712 1.00 0.00 N ATOM 155 CA CYS A 71 -12.953 2.313 -6.177 1.00 0.00 C ATOM 156 C CYS A 71 -11.757 2.373 -5.208 1.00 0.00 C ATOM 157 O CYS A 71 -11.849 1.901 -4.077 1.00 0.00 O ATOM 158 CB CYS A 71 -12.739 1.332 -7.337 1.00 0.00 C ATOM 159 SG CYS A 71 -11.474 1.909 -8.493 1.00 0.00 S ATOM 0 H CYS A 71 -13.305 3.670 -7.731 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.775 1.946 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.449 0.359 -6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.679 1.191 -7.870 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.179 0.955 -9.326 1.00 0.00 H new ATOM 165 N GLU A 72 -10.640 2.983 -5.609 1.00 0.00 N ATOM 166 CA GLU A 72 -9.460 3.111 -4.760 1.00 0.00 C ATOM 167 C GLU A 72 -9.762 3.890 -3.462 1.00 0.00 C ATOM 168 O GLU A 72 -9.416 3.440 -2.373 1.00 0.00 O ATOM 169 CB GLU A 72 -8.258 3.622 -5.585 1.00 0.00 C ATOM 170 CG GLU A 72 -8.551 4.770 -6.577 1.00 0.00 C ATOM 171 CD GLU A 72 -7.311 5.313 -7.283 1.00 0.00 C ATOM 172 OE1 GLU A 72 -6.212 4.779 -7.053 1.00 0.00 O ATOM 173 OE2 GLU A 72 -7.481 6.308 -8.024 1.00 0.00 O ATOM 0 H GLU A 72 -10.531 3.402 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.162 2.127 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.485 3.956 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.845 2.783 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.258 4.416 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.037 5.585 -6.040 1.00 0.00 H new ATOM 180 N VAL A 73 -10.496 5.006 -3.539 1.00 0.00 N ATOM 181 CA VAL A 73 -10.966 5.729 -2.349 1.00 0.00 C ATOM 182 C VAL A 73 -11.877 4.862 -1.466 1.00 0.00 C ATOM 183 O VAL A 73 -11.734 4.849 -0.247 1.00 0.00 O ATOM 184 CB VAL A 73 -11.661 7.038 -2.763 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.367 7.722 -1.586 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.622 8.020 -3.305 1.00 0.00 C ATOM 0 H VAL A 73 -10.780 5.432 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.095 5.976 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.403 6.775 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.842 8.641 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.125 7.053 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.637 7.959 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.115 8.947 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.883 8.231 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.126 7.583 -4.172 1.00 0.00 H new ATOM 196 N ALA A 74 -12.811 4.127 -2.066 1.00 0.00 N ATOM 197 CA ALA A 74 -13.726 3.276 -1.311 1.00 0.00 C ATOM 198 C ALA A 74 -12.956 2.216 -0.515 1.00 0.00 C ATOM 199 O ALA A 74 -13.201 1.988 0.666 1.00 0.00 O ATOM 200 CB ALA A 74 -14.742 2.638 -2.264 1.00 0.00 C ATOM 0 H ALA A 74 -12.954 4.104 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.268 3.887 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.424 2.003 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.309 3.420 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.217 2.036 -3.005 1.00 0.00 H new ATOM 206 N VAL A 75 -11.991 1.559 -1.152 1.00 0.00 N ATOM 207 CA VAL A 75 -11.228 0.529 -0.452 1.00 0.00 C ATOM 208 C VAL A 75 -10.219 1.139 0.551 1.00 0.00 C ATOM 209 O VAL A 75 -9.995 0.568 1.617 1.00 0.00 O ATOM 210 CB VAL A 75 -10.669 -0.502 -1.441 1.00 0.00 C ATOM 211 CG1 VAL A 75 -10.102 -1.714 -0.692 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.817 -1.043 -2.302 1.00 0.00 C ATOM 0 H VAL A 75 -11.723 1.714 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.894 -0.047 0.190 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.897 -0.013 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.710 -2.435 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.300 -1.389 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.892 -2.181 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.428 -1.777 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.561 -1.515 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.279 -0.222 -2.850 1.00 0.00 H new ATOM 222 N LEU A 76 -9.662 2.328 0.278 1.00 0.00 N ATOM 223 CA LEU A 76 -8.943 3.133 1.281 1.00 0.00 C ATOM 224 C LEU A 76 -9.735 3.312 2.589 1.00 0.00 C ATOM 225 O LEU A 76 -9.164 3.249 3.679 1.00 0.00 O ATOM 226 CB LEU A 76 -8.503 4.480 0.691 1.00 0.00 C ATOM 227 CG LEU A 76 -7.285 4.478 -0.263 1.00 0.00 C ATOM 228 CD1 LEU A 76 -6.183 5.381 0.304 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.659 3.112 -0.586 1.00 0.00 C ATOM 0 H LEU A 76 -9.696 2.761 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.047 2.573 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.351 4.905 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.281 5.153 1.519 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.696 4.840 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.327 5.377 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.562 6.398 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.876 5.010 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.816 3.249 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.312 2.644 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.404 2.473 -1.059 1.00 0.00 H new ATOM 241 N ASP A 77 -11.053 3.473 2.494 1.00 0.00 N ATOM 242 CA ASP A 77 -11.909 3.537 3.675 1.00 0.00 C ATOM 243 C ASP A 77 -11.931 2.170 4.380 1.00 0.00 C ATOM 244 O ASP A 77 -11.587 2.058 5.556 1.00 0.00 O ATOM 245 CB ASP A 77 -13.302 4.047 3.291 1.00 0.00 C ATOM 246 CG ASP A 77 -14.236 3.978 4.481 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.783 2.878 4.708 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.358 4.996 5.187 1.00 0.00 O ATOM 0 H ASP A 77 -11.552 3.562 1.609 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.507 4.252 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.234 5.074 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.702 3.450 2.472 1.00 0.00 H new ATOM 253 N LEU A 78 -12.223 1.096 3.641 1.00 0.00 N ATOM 254 CA LEU A 78 -12.212 -0.248 4.189 1.00 0.00 C ATOM 255 C LEU A 78 -10.863 -0.602 4.840 1.00 0.00 C ATOM 256 O LEU A 78 -10.835 -1.336 5.824 1.00 0.00 O ATOM 257 CB LEU A 78 -12.636 -1.249 3.106 1.00 0.00 C ATOM 258 CG LEU A 78 -13.973 -0.917 2.430 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.322 -2.024 1.436 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.121 -0.759 3.434 1.00 0.00 C ATOM 0 H LEU A 78 -12.471 1.141 2.653 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.939 -0.302 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.858 -1.294 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.704 -2.242 3.551 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.852 0.040 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.271 -1.793 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.539 -2.096 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.405 -2.974 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.042 -0.525 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.250 -1.688 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.889 0.049 4.128 1.00 0.00 H new ATOM 272 N TYR A 79 -9.737 -0.077 4.356 1.00 0.00 N ATOM 273 CA TYR A 79 -8.472 -0.152 5.077 1.00 0.00 C ATOM 274 C TYR A 79 -8.507 0.570 6.437 1.00 0.00 C ATOM 275 O TYR A 79 -8.383 -0.095 7.470 1.00 0.00 O ATOM 276 CB TYR A 79 -7.321 0.327 4.189 1.00 0.00 C ATOM 277 CG TYR A 79 -6.972 -0.616 3.062 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.619 -1.951 3.327 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.052 -0.180 1.733 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.512 -2.862 2.265 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.088 -1.112 0.695 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.936 -2.464 0.989 1.00 0.00 C ATOM 283 OH TYR A 79 -7.083 -3.393 0.013 1.00 0.00 O ATOM 0 H TYR A 79 -9.679 0.408 3.460 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.298 -1.201 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.582 1.298 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.437 0.477 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.432 -2.273 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.086 0.877 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.111 -3.851 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.232 -0.788 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.998 -3.744 0.031 1.00 0.00 H new ATOM 293 N GLU A 80 -8.674 1.891 6.487 1.00 0.00 N ATOM 294 CA GLU A 80 -8.529 2.633 7.744 1.00 0.00 C ATOM 295 C GLU A 80 -9.664 2.316 8.738 1.00 0.00 C ATOM 296 O GLU A 80 -9.421 2.103 9.928 1.00 0.00 O ATOM 297 CB GLU A 80 -8.353 4.131 7.451 1.00 0.00 C ATOM 298 CG GLU A 80 -7.026 4.441 6.718 1.00 0.00 C ATOM 299 CD GLU A 80 -5.746 4.385 7.555 1.00 0.00 C ATOM 300 OE1 GLU A 80 -5.781 3.836 8.679 1.00 0.00 O ATOM 301 OE2 GLU A 80 -4.727 4.900 7.042 1.00 0.00 O ATOM 0 H GLU A 80 -8.908 2.468 5.679 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.623 2.302 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.189 4.480 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.385 4.687 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.922 3.738 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.103 5.437 6.282 1.00 0.00 H new ATOM 308 N GLN A 81 -10.894 2.126 8.259 1.00 0.00 N ATOM 309 CA GLN A 81 -11.987 1.556 9.063 1.00 0.00 C ATOM 310 C GLN A 81 -11.720 0.103 9.511 1.00 0.00 C ATOM 311 O GLN A 81 -12.311 -0.393 10.472 1.00 0.00 O ATOM 312 CB GLN A 81 -13.330 1.653 8.324 1.00 0.00 C ATOM 313 CG GLN A 81 -13.798 3.106 8.143 1.00 0.00 C ATOM 314 CD GLN A 81 -15.315 3.219 8.238 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.865 3.386 9.322 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.033 3.090 7.143 1.00 0.00 N ATOM 0 H GLN A 81 -11.165 2.361 7.304 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.038 2.159 9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.238 1.180 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.087 1.097 8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.337 3.736 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.464 3.479 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.572 2.951 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.051 3.129 7.193 1.00 0.00 H new ATOM 325 N SER A 82 -10.815 -0.617 8.846 1.00 0.00 N ATOM 326 CA SER A 82 -10.294 -1.896 9.334 1.00 0.00 C ATOM 327 C SER A 82 -9.065 -1.729 10.258 1.00 0.00 C ATOM 328 O SER A 82 -8.548 -2.718 10.788 1.00 0.00 O ATOM 329 CB SER A 82 -10.029 -2.809 8.140 1.00 0.00 C ATOM 330 OG SER A 82 -9.710 -4.118 8.567 1.00 0.00 O ATOM 0 H SER A 82 -10.421 -0.329 7.950 1.00 0.00 H new ATOM 0 HA SER A 82 -11.045 -2.366 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.908 -2.836 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.210 -2.407 7.544 1.00 0.00 H new ATOM 0 HG SER A 82 -8.787 -4.329 8.314 1.00 0.00 H new ATOM 336 N ASN A 83 -8.608 -0.493 10.469 1.00 0.00 N ATOM 337 CA ASN A 83 -7.346 -0.101 11.089 1.00 0.00 C ATOM 338 C ASN A 83 -6.126 -0.673 10.352 1.00 0.00 C ATOM 339 O ASN A 83 -5.216 -1.215 10.977 1.00 0.00 O ATOM 340 CB ASN A 83 -7.354 -0.391 12.598 1.00 0.00 C ATOM 341 CG ASN A 83 -6.163 0.257 13.294 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.264 -0.413 13.796 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.111 1.576 13.324 1.00 0.00 N ATOM 0 H ASN A 83 -9.155 0.321 10.188 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.248 0.980 10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.280 -0.020 13.037 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.332 -1.468 12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.321 2.045 13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.861 2.126 12.905 1.00 0.00 H new ATOM 350 N ILE A 84 -6.121 -0.549 9.026 1.00 0.00 N ATOM 351 CA ILE A 84 -4.965 -0.777 8.164 1.00 0.00 C ATOM 352 C ILE A 84 -4.475 0.552 7.592 1.00 0.00 C ATOM 353 O ILE A 84 -5.042 1.053 6.628 1.00 0.00 O ATOM 354 CB ILE A 84 -5.304 -1.751 7.026 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.594 -3.128 7.631 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.126 -1.841 6.033 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.205 -4.079 6.611 1.00 0.00 C ATOM 0 H ILE A 84 -6.954 -0.277 8.504 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.174 -1.225 8.765 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.180 -1.395 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.670 -3.556 8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.273 -3.017 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.378 -2.535 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.929 -0.855 5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.237 -2.197 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.395 -5.044 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.143 -3.664 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.515 -4.211 5.778 1.00 0.00 H new ATOM 369 N ARG A 85 -3.352 1.050 8.091 1.00 0.00 N ATOM 370 CA ARG A 85 -2.655 2.123 7.390 1.00 0.00 C ATOM 371 C ARG A 85 -2.092 1.592 6.060 1.00 0.00 C ATOM 372 O ARG A 85 -1.502 0.509 6.010 1.00 0.00 O ATOM 373 CB ARG A 85 -1.588 2.772 8.295 1.00 0.00 C ATOM 374 CG ARG A 85 -1.784 4.292 8.441 1.00 0.00 C ATOM 375 CD ARG A 85 -1.392 5.098 7.189 1.00 0.00 C ATOM 376 NE ARG A 85 -0.147 5.869 7.414 1.00 0.00 N ATOM 377 CZ ARG A 85 0.665 6.422 6.504 1.00 0.00 C ATOM 378 NH1 ARG A 85 0.518 6.241 5.205 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.676 7.177 6.890 1.00 0.00 N ATOM 0 H ARG A 85 -2.911 0.739 8.957 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.356 2.921 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.622 2.308 9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.598 2.574 7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.829 4.492 8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.194 4.644 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.256 4.421 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.201 5.779 6.924 1.00 0.00 H new ATOM 0 HE ARG A 85 0.127 5.995 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.241 5.657 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.164 6.685 4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.840 7.340 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.293 7.597 6.195 1.00 0.00 H new ATOM 393 N ILE A 86 -2.280 2.332 4.969 1.00 0.00 N ATOM 394 CA ILE A 86 -1.641 2.063 3.680 1.00 0.00 C ATOM 395 C ILE A 86 -0.405 2.968 3.517 1.00 0.00 C ATOM 396 O ILE A 86 -0.517 4.175 3.744 1.00 0.00 O ATOM 397 CB ILE A 86 -2.668 2.235 2.546 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.796 1.183 2.616 1.00 0.00 C ATOM 399 CG2 ILE A 86 -1.994 2.177 1.171 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.364 -0.260 2.304 1.00 0.00 C ATOM 0 H ILE A 86 -2.890 3.149 4.954 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.289 1.032 3.635 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.114 3.220 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.232 1.207 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.582 1.469 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.746 2.302 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.256 2.975 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.500 1.213 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.226 -0.922 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.957 -0.308 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.602 -0.574 3.017 1.00 0.00 H new ATOM 412 N PRO A 87 0.781 2.422 3.185 1.00 0.00 N ATOM 413 CA PRO A 87 1.937 3.238 2.850 1.00 0.00 C ATOM 414 C PRO A 87 1.767 3.799 1.435 1.00 0.00 C ATOM 415 O PRO A 87 1.230 3.133 0.545 1.00 0.00 O ATOM 416 CB PRO A 87 3.142 2.304 2.963 1.00 0.00 C ATOM 417 CG PRO A 87 2.565 0.941 2.583 1.00 0.00 C ATOM 418 CD PRO A 87 1.108 1.006 3.057 1.00 0.00 C ATOM 0 HA PRO A 87 2.062 4.096 3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.947 2.602 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.555 2.299 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.627 0.767 1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.106 0.129 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.445 0.517 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.986 0.491 4.010 1.00 0.00 H new ATOM 426 N SER A 88 2.216 5.031 1.225 1.00 0.00 N ATOM 427 CA SER A 88 2.154 5.762 -0.030 1.00 0.00 C ATOM 428 C SER A 88 2.661 4.927 -1.207 1.00 0.00 C ATOM 429 O SER A 88 2.094 4.991 -2.290 1.00 0.00 O ATOM 430 CB SER A 88 2.954 7.057 0.118 1.00 0.00 C ATOM 431 OG SER A 88 2.473 7.787 1.231 1.00 0.00 O ATOM 0 H SER A 88 2.657 5.574 1.968 1.00 0.00 H new ATOM 0 HA SER A 88 1.113 5.996 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.012 6.830 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.866 7.656 -0.788 1.00 0.00 H new ATOM 0 HG SER A 88 2.978 7.533 2.032 1.00 0.00 H new ATOM 437 N ASP A 89 3.684 4.105 -0.994 1.00 0.00 N ATOM 438 CA ASP A 89 4.253 3.165 -1.951 1.00 0.00 C ATOM 439 C ASP A 89 3.216 2.226 -2.609 1.00 0.00 C ATOM 440 O ASP A 89 3.296 1.918 -3.794 1.00 0.00 O ATOM 441 CB ASP A 89 5.329 2.371 -1.208 1.00 0.00 C ATOM 442 CG ASP A 89 6.350 3.258 -0.530 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.951 3.945 0.430 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.520 3.238 -0.962 1.00 0.00 O ATOM 0 H ASP A 89 4.166 4.076 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 89 4.670 3.726 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.854 1.735 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.838 1.711 -1.911 1.00 0.00 H new ATOM 449 N ILE A 90 2.198 1.766 -1.873 1.00 0.00 N ATOM 450 CA ILE A 90 1.061 1.081 -2.508 1.00 0.00 C ATOM 451 C ILE A 90 0.380 2.026 -3.503 1.00 0.00 C ATOM 452 O ILE A 90 0.120 1.689 -4.653 1.00 0.00 O ATOM 453 CB ILE A 90 0.045 0.630 -1.439 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.589 -0.482 -0.531 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.305 0.215 -2.044 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.669 -1.856 -1.196 1.00 0.00 C ATOM 0 H ILE A 90 2.135 1.851 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 90 1.429 0.202 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.124 1.510 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.584 -0.200 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.045 -0.556 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.982 -0.093 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.738 1.059 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.155 -0.616 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.063 -2.582 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.327 -2.164 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.327 -1.803 -2.063 1.00 0.00 H new ATOM 468 N ILE A 91 0.057 3.229 -3.037 1.00 0.00 N ATOM 469 CA ILE A 91 -0.731 4.203 -3.782 1.00 0.00 C ATOM 470 C ILE A 91 0.069 4.792 -4.967 1.00 0.00 C ATOM 471 O ILE A 91 -0.512 5.220 -5.968 1.00 0.00 O ATOM 472 CB ILE A 91 -1.236 5.262 -2.774 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.104 4.586 -1.689 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.034 6.373 -3.469 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.300 5.441 -0.432 1.00 0.00 C ATOM 0 H ILE A 91 0.341 3.559 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.596 3.733 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.364 5.722 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.080 4.350 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.643 3.640 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.371 7.097 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.400 6.872 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.898 5.940 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.919 4.900 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.330 5.655 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.790 6.377 -0.701 1.00 0.00 H new ATOM 487 N GLU A 92 1.402 4.834 -4.883 1.00 0.00 N ATOM 488 CA GLU A 92 2.343 5.109 -5.972 1.00 0.00 C ATOM 489 C GLU A 92 1.992 4.263 -7.205 1.00 0.00 C ATOM 490 O GLU A 92 1.511 4.807 -8.204 1.00 0.00 O ATOM 491 CB GLU A 92 3.768 4.845 -5.452 1.00 0.00 C ATOM 492 CG GLU A 92 4.885 5.002 -6.501 1.00 0.00 C ATOM 493 CD GLU A 92 6.247 4.617 -5.933 1.00 0.00 C ATOM 494 OE1 GLU A 92 6.724 5.349 -5.046 1.00 0.00 O ATOM 495 OE2 GLU A 92 6.810 3.572 -6.327 1.00 0.00 O ATOM 0 H GLU A 92 1.882 4.667 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 92 2.280 6.150 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.969 5.527 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.809 3.833 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.662 4.379 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.914 6.034 -6.850 1.00 0.00 H new ATOM 502 N ASP A 93 2.144 2.944 -7.070 1.00 0.00 N ATOM 503 CA ASP A 93 1.841 1.948 -8.078 1.00 0.00 C ATOM 504 C ASP A 93 0.341 1.925 -8.389 1.00 0.00 C ATOM 505 O ASP A 93 -0.082 2.239 -9.500 1.00 0.00 O ATOM 506 CB ASP A 93 2.364 0.605 -7.547 1.00 0.00 C ATOM 507 CG ASP A 93 1.811 -0.580 -8.309 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.586 -0.454 -9.529 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.556 -1.607 -7.649 1.00 0.00 O ATOM 0 H ASP A 93 2.500 2.530 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 93 2.327 2.177 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.452 0.594 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.102 0.509 -6.493 1.00 0.00 H new ATOM 514 N LEU A 94 -0.472 1.571 -7.397 1.00 0.00 N ATOM 515 CA LEU A 94 -1.866 1.180 -7.614 1.00 0.00 C ATOM 516 C LEU A 94 -2.628 2.173 -8.501 1.00 0.00 C ATOM 517 O LEU A 94 -3.142 1.803 -9.551 1.00 0.00 O ATOM 518 CB LEU A 94 -2.561 0.957 -6.267 1.00 0.00 C ATOM 519 CG LEU A 94 -3.916 0.215 -6.316 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.023 1.161 -5.863 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.368 -0.413 -7.643 1.00 0.00 C ATOM 0 H LEU A 94 -0.185 1.546 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.868 0.239 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.886 0.396 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.718 1.928 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.739 -0.636 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.981 0.642 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.824 1.492 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.056 2.026 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.337 -0.894 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.452 0.364 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.636 -1.155 -7.962 1.00 0.00 H new ATOM 533 N VAL A 95 -2.606 3.456 -8.145 1.00 0.00 N ATOM 534 CA VAL A 95 -3.152 4.548 -8.960 1.00 0.00 C ATOM 535 C VAL A 95 -2.744 4.468 -10.445 1.00 0.00 C ATOM 536 O VAL A 95 -3.567 4.665 -11.336 1.00 0.00 O ATOM 537 CB VAL A 95 -2.683 5.881 -8.362 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.006 7.043 -9.300 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.342 6.143 -7.001 1.00 0.00 C ATOM 0 H VAL A 95 -2.201 3.776 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.239 4.464 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.604 5.810 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.664 7.977 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.502 6.891 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.083 7.091 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.990 7.095 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.425 6.179 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.080 5.342 -6.310 1.00 0.00 H new ATOM 549 N ASN A 96 -1.466 4.218 -10.731 1.00 0.00 N ATOM 550 CA ASN A 96 -0.956 4.094 -12.099 1.00 0.00 C ATOM 551 C ASN A 96 -1.579 2.908 -12.866 1.00 0.00 C ATOM 552 O ASN A 96 -1.644 2.928 -14.094 1.00 0.00 O ATOM 553 CB ASN A 96 0.586 4.134 -12.084 1.00 0.00 C ATOM 554 CG ASN A 96 1.286 2.891 -12.621 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.881 2.911 -13.689 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.267 1.795 -11.894 1.00 0.00 N ATOM 0 H ASN A 96 -0.750 4.095 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.281 4.955 -12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.914 4.994 -12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.917 4.300 -11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.750 0.958 -12.221 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.770 1.782 -11.004 1.00 0.00 H new ATOM 563 N GLN A 97 -2.089 1.899 -12.156 1.00 0.00 N ATOM 564 CA GLN A 97 -2.915 0.835 -12.726 1.00 0.00 C ATOM 565 C GLN A 97 -4.400 1.250 -12.813 1.00 0.00 C ATOM 566 O GLN A 97 -5.027 1.116 -13.859 1.00 0.00 O ATOM 567 CB GLN A 97 -2.748 -0.453 -11.902 1.00 0.00 C ATOM 568 CG GLN A 97 -1.317 -0.744 -11.411 1.00 0.00 C ATOM 569 CD GLN A 97 -0.272 -0.968 -12.500 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.546 -0.957 -13.694 1.00 0.00 O ATOM 571 NE2 GLN A 97 0.968 -1.188 -12.103 1.00 0.00 N ATOM 0 H GLN A 97 -1.936 1.798 -11.153 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.577 0.649 -13.745 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.407 -0.397 -11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.085 -1.296 -12.505 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.991 0.088 -10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.345 -1.628 -10.774 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.191 -1.196 -11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.703 -1.350 -12.792 1.00 0.00 H new ATOM 580 N ARG A 98 -4.946 1.757 -11.701 1.00 0.00 N ATOM 581 CA ARG A 98 -6.352 2.099 -11.452 1.00 0.00 C ATOM 582 C ARG A 98 -7.369 1.080 -11.998 1.00 0.00 C ATOM 583 O ARG A 98 -8.075 1.318 -12.976 1.00 0.00 O ATOM 584 CB ARG A 98 -6.662 3.564 -11.798 1.00 0.00 C ATOM 585 CG ARG A 98 -6.394 3.941 -13.258 1.00 0.00 C ATOM 586 CD ARG A 98 -6.700 5.425 -13.485 1.00 0.00 C ATOM 587 NE ARG A 98 -5.704 6.298 -12.824 1.00 0.00 N ATOM 588 CZ ARG A 98 -4.474 6.555 -13.273 1.00 0.00 C ATOM 589 NH1 ARG A 98 -3.976 5.923 -14.316 1.00 0.00 N ATOM 590 NH2 ARG A 98 -3.736 7.485 -12.704 1.00 0.00 N ATOM 0 H ARG A 98 -4.368 1.955 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.489 2.015 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.709 3.764 -11.570 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.066 4.210 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.354 3.734 -13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.010 3.330 -13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.714 5.634 -14.555 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.695 5.654 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.982 6.742 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.534 5.219 -14.800 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.033 6.138 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.103 8.015 -11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.797 7.675 -13.053 1.00 0.00 H new ATOM 604 N LEU A 99 -7.447 -0.062 -11.314 1.00 0.00 N ATOM 605 CA LEU A 99 -8.369 -1.153 -11.624 1.00 0.00 C ATOM 606 C LEU A 99 -9.841 -0.740 -11.441 1.00 0.00 C ATOM 607 O LEU A 99 -10.145 0.303 -10.860 1.00 0.00 O ATOM 608 CB LEU A 99 -7.989 -2.386 -10.793 1.00 0.00 C ATOM 609 CG LEU A 99 -6.477 -2.690 -10.781 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.227 -3.974 -9.990 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.918 -2.864 -12.198 1.00 0.00 C ATOM 0 H LEU A 99 -6.854 -0.258 -10.507 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.275 -1.409 -12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.328 -2.239 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.521 -3.253 -11.184 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.971 -1.843 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.159 -4.193 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.582 -3.846 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.762 -4.800 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.850 -3.077 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.428 -3.691 -12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.077 -1.948 -12.767 1.00 0.00 H new ATOM 623 N GLN A 100 -10.781 -1.522 -11.971 1.00 0.00 N ATOM 624 CA GLN A 100 -12.156 -1.068 -12.140 1.00 0.00 C ATOM 625 C GLN A 100 -12.909 -1.109 -10.804 1.00 0.00 C ATOM 626 O GLN A 100 -13.369 -0.084 -10.302 1.00 0.00 O ATOM 627 CB GLN A 100 -12.863 -1.902 -13.222 1.00 0.00 C ATOM 628 CG GLN A 100 -12.399 -1.615 -14.660 1.00 0.00 C ATOM 629 CD GLN A 100 -10.964 -1.994 -15.025 1.00 0.00 C ATOM 630 OE1 GLN A 100 -10.347 -1.334 -15.848 1.00 0.00 O ATOM 631 NE2 GLN A 100 -10.403 -3.065 -14.491 1.00 0.00 N ATOM 0 H GLN A 100 -10.612 -2.476 -12.291 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.147 -0.030 -12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.705 -2.959 -13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.936 -1.721 -13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.069 -2.139 -15.341 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.524 -0.549 -14.848 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.914 -3.619 -13.804 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.459 -3.337 -14.766 1.00 0.00 H new ATOM 640 N SER A 101 -13.056 -2.302 -10.237 1.00 0.00 N ATOM 641 CA SER A 101 -13.821 -2.523 -9.014 1.00 0.00 C ATOM 642 C SER A 101 -12.986 -2.436 -7.733 1.00 0.00 C ATOM 643 O SER A 101 -11.824 -2.833 -7.668 1.00 0.00 O ATOM 644 CB SER A 101 -14.530 -3.883 -9.065 1.00 0.00 C ATOM 645 OG SER A 101 -15.382 -4.046 -7.931 1.00 0.00 O ATOM 0 H SER A 101 -12.642 -3.153 -10.618 1.00 0.00 H new ATOM 0 HA SER A 101 -14.548 -1.712 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.115 -3.960 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.791 -4.684 -9.090 1.00 0.00 H new ATOM 0 HG SER A 101 -15.706 -3.169 -7.636 1.00 0.00 H new ATOM 651 N GLU A 102 -13.665 -2.033 -6.665 1.00 0.00 N ATOM 652 CA GLU A 102 -13.358 -2.289 -5.267 1.00 0.00 C ATOM 653 C GLU A 102 -12.729 -3.680 -5.050 1.00 0.00 C ATOM 654 O GLU A 102 -11.712 -3.830 -4.384 1.00 0.00 O ATOM 655 CB GLU A 102 -14.651 -2.112 -4.446 1.00 0.00 C ATOM 656 CG GLU A 102 -15.481 -0.866 -4.842 1.00 0.00 C ATOM 657 CD GLU A 102 -16.593 -1.159 -5.842 1.00 0.00 C ATOM 658 OE1 GLU A 102 -16.297 -1.668 -6.946 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.787 -0.993 -5.514 1.00 0.00 O ATOM 0 H GLU A 102 -14.512 -1.474 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.607 -1.574 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.270 -3.001 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.392 -2.043 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.919 -0.432 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.813 -0.116 -5.265 1.00 0.00 H new ATOM 666 N GLN A 103 -13.305 -4.717 -5.664 1.00 0.00 N ATOM 667 CA GLN A 103 -12.741 -6.068 -5.624 1.00 0.00 C ATOM 668 C GLN A 103 -11.311 -6.116 -6.181 1.00 0.00 C ATOM 669 O GLN A 103 -10.411 -6.698 -5.578 1.00 0.00 O ATOM 670 CB GLN A 103 -13.682 -7.015 -6.390 1.00 0.00 C ATOM 671 CG GLN A 103 -13.079 -8.396 -6.710 1.00 0.00 C ATOM 672 CD GLN A 103 -12.642 -9.170 -5.474 1.00 0.00 C ATOM 673 OE1 GLN A 103 -11.465 -9.409 -5.250 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.590 -9.600 -4.661 1.00 0.00 N ATOM 0 H GLN A 103 -14.170 -4.644 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.665 -6.391 -4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.590 -7.156 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.977 -6.536 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.814 -8.986 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.221 -8.265 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.568 -9.392 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.344 -10.140 -3.832 1.00 0.00 H new ATOM 683 N GLU A 104 -11.107 -5.525 -7.348 1.00 0.00 N ATOM 684 CA GLU A 104 -9.817 -5.547 -8.013 1.00 0.00 C ATOM 685 C GLU A 104 -8.782 -4.774 -7.204 1.00 0.00 C ATOM 686 O GLU A 104 -7.712 -5.296 -6.899 1.00 0.00 O ATOM 687 CB GLU A 104 -9.969 -4.972 -9.415 1.00 0.00 C ATOM 688 CG GLU A 104 -10.931 -5.808 -10.266 1.00 0.00 C ATOM 689 CD GLU A 104 -11.553 -4.951 -11.352 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.798 -4.308 -12.109 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.793 -4.830 -11.322 1.00 0.00 O ATOM 0 H GLU A 104 -11.830 -5.018 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.463 -6.575 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.335 -3.947 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.994 -4.932 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.396 -6.645 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.712 -6.231 -9.635 1.00 0.00 H new ATOM 698 N VAL A 105 -9.107 -3.543 -6.801 1.00 0.00 N ATOM 699 CA VAL A 105 -8.168 -2.774 -6.002 1.00 0.00 C ATOM 700 C VAL A 105 -7.932 -3.457 -4.653 1.00 0.00 C ATOM 701 O VAL A 105 -6.793 -3.493 -4.209 1.00 0.00 O ATOM 702 CB VAL A 105 -8.532 -1.287 -5.880 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.599 -0.612 -7.255 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.852 -1.073 -5.151 1.00 0.00 C ATOM 0 H VAL A 105 -9.988 -3.074 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.219 -2.765 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.736 -0.829 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.859 0.439 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.629 -0.691 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.356 -1.104 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.065 -0.006 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.653 -1.573 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.783 -1.487 -4.145 1.00 0.00 H new ATOM 714 N LEU A 106 -8.936 -4.075 -4.015 1.00 0.00 N ATOM 715 CA LEU A 106 -8.654 -4.749 -2.752 1.00 0.00 C ATOM 716 C LEU A 106 -7.754 -5.971 -2.949 1.00 0.00 C ATOM 717 O LEU A 106 -6.820 -6.160 -2.170 1.00 0.00 O ATOM 718 CB LEU A 106 -9.909 -4.986 -1.889 1.00 0.00 C ATOM 719 CG LEU A 106 -10.716 -6.259 -2.172 1.00 0.00 C ATOM 720 CD1 LEU A 106 -10.158 -7.505 -1.468 1.00 0.00 C ATOM 721 CD2 LEU A 106 -12.151 -6.070 -1.670 1.00 0.00 C ATOM 0 H LEU A 106 -9.903 -4.120 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.066 -4.062 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.603 -5.004 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.572 -4.130 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.664 -6.417 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.777 -8.369 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.136 -7.685 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.164 -7.347 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.728 -6.973 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.139 -5.877 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.609 -5.226 -2.186 1.00 0.00 H new ATOM 733 N ASN A 107 -7.983 -6.811 -3.973 1.00 0.00 N ATOM 734 CA ASN A 107 -7.103 -7.974 -4.143 1.00 0.00 C ATOM 735 C ASN A 107 -5.687 -7.567 -4.590 1.00 0.00 C ATOM 736 O ASN A 107 -4.694 -8.058 -4.043 1.00 0.00 O ATOM 737 CB ASN A 107 -7.768 -9.095 -4.956 1.00 0.00 C ATOM 738 CG ASN A 107 -7.893 -8.836 -6.449 1.00 0.00 C ATOM 739 OD1 ASN A 107 -6.907 -8.693 -7.151 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.107 -8.850 -6.969 1.00 0.00 N ATOM 0 H ASN A 107 -8.730 -6.715 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.947 -8.428 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.198 -10.013 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.764 -9.272 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.232 -8.740 -7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.919 -8.971 -6.364 1.00 0.00 H new ATOM 747 N TYR A 108 -5.584 -6.601 -5.501 1.00 0.00 N ATOM 748 CA TYR A 108 -4.320 -6.002 -5.909 1.00 0.00 C ATOM 749 C TYR A 108 -3.566 -5.382 -4.723 1.00 0.00 C ATOM 750 O TYR A 108 -2.436 -5.763 -4.430 1.00 0.00 O ATOM 751 CB TYR A 108 -4.590 -4.970 -7.002 1.00 0.00 C ATOM 752 CG TYR A 108 -3.331 -4.431 -7.641 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.671 -3.314 -7.098 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.789 -5.094 -8.757 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.499 -2.826 -7.705 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.615 -4.610 -9.351 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.970 -3.487 -8.823 1.00 0.00 C ATOM 758 OH TYR A 108 0.188 -3.093 -9.405 1.00 0.00 O ATOM 0 H TYR A 108 -6.392 -6.208 -5.983 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.672 -6.785 -6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.215 -5.422 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.157 -4.141 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.064 -2.831 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.275 -5.972 -9.155 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.010 -1.947 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.207 -5.106 -10.219 1.00 0.00 H new ATOM 0 HH TYR A 108 0.830 -2.833 -8.712 1.00 0.00 H new ATOM 768 N ILE A 109 -4.187 -4.443 -4.005 1.00 0.00 N ATOM 769 CA ILE A 109 -3.607 -3.831 -2.811 1.00 0.00 C ATOM 770 C ILE A 109 -3.160 -4.895 -1.811 1.00 0.00 C ATOM 771 O ILE A 109 -2.031 -4.854 -1.345 1.00 0.00 O ATOM 772 CB ILE A 109 -4.580 -2.844 -2.150 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.761 -1.598 -3.029 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.061 -2.426 -0.765 1.00 0.00 C ATOM 775 CD1 ILE A 109 -5.963 -0.773 -2.569 1.00 0.00 C ATOM 0 H ILE A 109 -5.113 -4.085 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.729 -3.269 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.543 -3.341 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.859 -0.987 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.898 -1.898 -4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.762 -1.726 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.965 -3.308 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.087 -1.947 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.069 0.104 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.866 -1.380 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.812 -0.454 -1.538 1.00 0.00 H new ATOM 787 N GLU A 110 -4.009 -5.862 -1.466 1.00 0.00 N ATOM 788 CA GLU A 110 -3.617 -6.961 -0.586 1.00 0.00 C ATOM 789 C GLU A 110 -2.382 -7.734 -1.118 1.00 0.00 C ATOM 790 O GLU A 110 -1.492 -8.093 -0.338 1.00 0.00 O ATOM 791 CB GLU A 110 -4.849 -7.827 -0.310 1.00 0.00 C ATOM 792 CG GLU A 110 -5.832 -7.072 0.613 1.00 0.00 C ATOM 793 CD GLU A 110 -5.659 -7.412 2.079 1.00 0.00 C ATOM 794 OE1 GLU A 110 -6.219 -8.458 2.470 1.00 0.00 O ATOM 795 OE2 GLU A 110 -5.020 -6.627 2.812 1.00 0.00 O ATOM 0 H GLU A 110 -4.977 -5.906 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.271 -6.571 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.342 -8.082 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.547 -8.765 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.695 -5.999 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.853 -7.304 0.312 1.00 0.00 H new ATOM 802 N THR A 111 -2.281 -7.939 -2.433 1.00 0.00 N ATOM 803 CA THR A 111 -1.083 -8.495 -3.080 1.00 0.00 C ATOM 804 C THR A 111 0.152 -7.592 -2.908 1.00 0.00 C ATOM 805 O THR A 111 1.142 -8.012 -2.310 1.00 0.00 O ATOM 806 CB THR A 111 -1.354 -8.831 -4.557 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.461 -9.704 -4.625 1.00 0.00 O ATOM 808 CG2 THR A 111 -0.171 -9.557 -5.197 1.00 0.00 C ATOM 0 H THR A 111 -3.033 -7.723 -3.087 1.00 0.00 H new ATOM 0 HA THR A 111 -0.847 -9.429 -2.569 1.00 0.00 H new ATOM 0 HB THR A 111 -1.532 -7.894 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.281 -9.209 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.400 -9.777 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.715 -8.924 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.017 -10.488 -4.662 1.00 0.00 H new ATOM 816 N GLN A 112 0.102 -6.331 -3.333 1.00 0.00 N ATOM 817 CA GLN A 112 1.206 -5.383 -3.161 1.00 0.00 C ATOM 818 C GLN A 112 1.559 -5.136 -1.675 1.00 0.00 C ATOM 819 O GLN A 112 2.701 -4.886 -1.311 1.00 0.00 O ATOM 820 CB GLN A 112 0.874 -4.082 -3.906 1.00 0.00 C ATOM 821 CG GLN A 112 0.540 -4.257 -5.394 1.00 0.00 C ATOM 822 CD GLN A 112 1.676 -4.890 -6.173 1.00 0.00 C ATOM 823 OE1 GLN A 112 1.881 -6.096 -6.126 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.444 -4.093 -6.881 1.00 0.00 N ATOM 0 H GLN A 112 -0.708 -5.934 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 112 2.105 -5.820 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.028 -3.603 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.722 -3.402 -3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.353 -4.875 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.304 -3.285 -5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.254 -3.091 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.230 -4.476 -7.406 1.00 0.00 H new ATOM 833 N ARG A 113 0.582 -5.263 -0.783 1.00 0.00 N ATOM 834 CA ARG A 113 0.723 -5.247 0.672 1.00 0.00 C ATOM 835 C ARG A 113 1.321 -6.564 1.199 1.00 0.00 C ATOM 836 O ARG A 113 1.835 -6.649 2.318 1.00 0.00 O ATOM 837 CB ARG A 113 -0.667 -4.955 1.245 1.00 0.00 C ATOM 838 CG ARG A 113 -0.731 -4.822 2.763 1.00 0.00 C ATOM 839 CD ARG A 113 -2.170 -4.452 3.144 1.00 0.00 C ATOM 840 NE ARG A 113 -2.311 -4.353 4.609 1.00 0.00 N ATOM 841 CZ ARG A 113 -2.934 -5.208 5.428 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.630 -6.249 5.022 1.00 0.00 N ATOM 843 NH2 ARG A 113 -2.871 -5.037 6.727 1.00 0.00 N ATOM 0 H ARG A 113 -0.388 -5.387 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 113 1.425 -4.476 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.039 -4.032 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.344 -5.752 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.438 -5.757 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.036 -4.057 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.441 -3.503 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.859 -5.203 2.757 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.884 -3.538 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.720 -6.445 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.079 -6.860 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.347 -4.252 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.346 -5.689 7.351 1.00 0.00 H new ATOM 857 N THR A 114 1.234 -7.642 0.426 1.00 0.00 N ATOM 858 CA THR A 114 2.008 -8.868 0.624 1.00 0.00 C ATOM 859 C THR A 114 3.459 -8.735 0.152 1.00 0.00 C ATOM 860 O THR A 114 4.351 -9.054 0.938 1.00 0.00 O ATOM 861 CB THR A 114 1.236 -10.089 0.121 1.00 0.00 C ATOM 862 OG1 THR A 114 0.045 -10.116 0.893 1.00 0.00 O ATOM 863 CG2 THR A 114 2.000 -11.396 0.337 1.00 0.00 C ATOM 0 H THR A 114 0.607 -7.691 -0.377 1.00 0.00 H new ATOM 0 HA THR A 114 2.127 -9.043 1.693 1.00 0.00 H new ATOM 0 HB THR A 114 1.061 -10.009 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.586 -9.452 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.407 -12.230 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 114 2.949 -11.356 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.190 -11.535 1.401 1.00 0.00 H new ATOM 871 N TYR A 115 3.712 -8.136 -1.016 1.00 0.00 N ATOM 872 CA TYR A 115 5.037 -7.577 -1.325 1.00 0.00 C ATOM 873 C TYR A 115 5.568 -6.770 -0.136 1.00 0.00 C ATOM 874 O TYR A 115 6.536 -7.180 0.493 1.00 0.00 O ATOM 875 CB TYR A 115 5.008 -6.764 -2.638 1.00 0.00 C ATOM 876 CG TYR A 115 5.946 -5.559 -2.732 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.339 -5.726 -2.609 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.429 -4.269 -2.978 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.198 -4.613 -2.702 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.292 -3.160 -3.069 1.00 0.00 C ATOM 881 CZ TYR A 115 7.675 -3.330 -2.935 1.00 0.00 C ATOM 882 OH TYR A 115 8.519 -2.277 -3.070 1.00 0.00 O ATOM 0 H TYR A 115 3.023 -8.025 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 115 5.735 -8.397 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.243 -7.440 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 115 3.988 -6.412 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.750 -6.711 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.364 -4.132 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.264 -4.747 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.885 -2.175 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 115 8.001 -1.460 -3.227 1.00 0.00 H new ATOM 892 N TRP A 116 4.905 -5.684 0.256 1.00 0.00 N ATOM 893 CA TRP A 116 5.376 -4.864 1.365 1.00 0.00 C ATOM 894 C TRP A 116 5.597 -5.628 2.683 1.00 0.00 C ATOM 895 O TRP A 116 6.618 -5.434 3.341 1.00 0.00 O ATOM 896 CB TRP A 116 4.530 -3.596 1.504 1.00 0.00 C ATOM 897 CG TRP A 116 5.044 -2.461 0.677 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.383 -1.811 -0.309 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.369 -1.854 0.740 1.00 0.00 C ATOM 900 NE1 TRP A 116 5.207 -0.847 -0.851 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.443 -0.827 -0.240 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.525 -2.081 1.520 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.597 -0.055 -0.420 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.680 -1.302 1.355 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.710 -0.273 0.405 1.00 0.00 C ATOM 0 H TRP A 116 4.043 -5.354 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 116 6.386 -4.546 1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.503 -3.816 1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.506 -3.294 2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.370 -2.015 -0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.935 -0.224 -1.612 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.519 -2.870 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.630 0.703 -1.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.551 -1.497 1.964 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.587 0.350 0.308 1.00 0.00 H new ATOM 916 N LYS A 117 4.704 -6.547 3.078 1.00 0.00 N ATOM 917 CA LYS A 117 4.963 -7.341 4.286 1.00 0.00 C ATOM 918 C LYS A 117 6.201 -8.265 4.182 1.00 0.00 C ATOM 919 O LYS A 117 6.857 -8.510 5.195 1.00 0.00 O ATOM 920 CB LYS A 117 3.690 -8.040 4.808 1.00 0.00 C ATOM 921 CG LYS A 117 3.500 -9.508 4.399 1.00 0.00 C ATOM 922 CD LYS A 117 2.201 -10.081 5.003 1.00 0.00 C ATOM 923 CE LYS A 117 0.984 -10.095 4.060 1.00 0.00 C ATOM 924 NZ LYS A 117 0.524 -8.750 3.646 1.00 0.00 N ATOM 0 H LYS A 117 3.828 -6.754 2.599 1.00 0.00 H new ATOM 0 HA LYS A 117 5.246 -6.627 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.693 -7.986 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.824 -7.475 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.466 -9.586 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.353 -10.097 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.394 -11.101 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.946 -9.500 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.235 -10.671 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.161 -10.612 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.194 -8.843 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.111 -8.257 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.331 -8.203 3.284 1.00 0.00 H new ATOM 938 N LEU A 118 6.534 -8.774 2.987 1.00 0.00 N ATOM 939 CA LEU A 118 7.763 -9.549 2.756 1.00 0.00 C ATOM 940 C LEU A 118 8.998 -8.631 2.677 1.00 0.00 C ATOM 941 O LEU A 118 10.018 -8.837 3.331 1.00 0.00 O ATOM 942 CB LEU A 118 7.612 -10.373 1.470 1.00 0.00 C ATOM 943 CG LEU A 118 6.543 -11.475 1.575 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.204 -11.981 0.169 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.026 -12.656 2.426 1.00 0.00 C ATOM 0 H LEU A 118 5.959 -8.660 2.152 1.00 0.00 H new ATOM 0 HA LEU A 118 7.915 -10.223 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.356 -9.706 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.571 -10.829 1.224 1.00 0.00 H new ATOM 0 HG LEU A 118 5.664 -11.046 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.447 -12.762 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.822 -11.156 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.102 -12.385 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.243 -13.413 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.920 -13.088 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.259 -12.308 3.432 1.00 0.00 H new ATOM 957 N GLU A 119 8.902 -7.557 1.907 1.00 0.00 N ATOM 958 CA GLU A 119 9.922 -6.529 1.757 1.00 0.00 C ATOM 959 C GLU A 119 10.347 -5.948 3.122 1.00 0.00 C ATOM 960 O GLU A 119 11.514 -5.999 3.514 1.00 0.00 O ATOM 961 CB GLU A 119 9.344 -5.497 0.776 1.00 0.00 C ATOM 962 CG GLU A 119 10.305 -4.364 0.403 1.00 0.00 C ATOM 963 CD GLU A 119 11.687 -4.870 0.062 1.00 0.00 C ATOM 964 OE1 GLU A 119 11.820 -5.520 -0.993 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.580 -4.716 0.920 1.00 0.00 O ATOM 0 H GLU A 119 8.073 -7.370 1.344 1.00 0.00 H new ATOM 0 HA GLU A 119 10.853 -6.926 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.039 -6.012 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.444 -5.064 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.902 -3.815 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.373 -3.661 1.233 1.00 0.00 H new ATOM 972 N ASN A 120 9.376 -5.518 3.934 1.00 0.00 N ATOM 973 CA ASN A 120 9.576 -5.053 5.312 1.00 0.00 C ATOM 974 C ASN A 120 9.987 -6.165 6.297 1.00 0.00 C ATOM 975 O ASN A 120 10.188 -5.910 7.489 1.00 0.00 O ATOM 976 CB ASN A 120 8.341 -4.281 5.789 1.00 0.00 C ATOM 977 CG ASN A 120 8.119 -3.004 4.991 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.058 -2.325 4.599 1.00 0.00 O ATOM 979 ND2 ASN A 120 6.878 -2.632 4.748 1.00 0.00 N ATOM 0 H ASN A 120 8.399 -5.483 3.642 1.00 0.00 H new ATOM 0 HA ASN A 120 10.431 -4.377 5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.461 -4.918 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.455 -4.033 6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.695 -1.773 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.100 -3.204 5.078 1.00 0.00 H new ATOM 986 N GLN A 121 10.119 -7.398 5.814 1.00 0.00 N ATOM 987 CA GLN A 121 10.734 -8.523 6.520 1.00 0.00 C ATOM 988 C GLN A 121 12.267 -8.537 6.360 1.00 0.00 C ATOM 989 O GLN A 121 12.965 -8.921 7.295 1.00 0.00 O ATOM 990 CB GLN A 121 10.059 -9.822 6.046 1.00 0.00 C ATOM 991 CG GLN A 121 9.576 -10.730 7.185 1.00 0.00 C ATOM 992 CD GLN A 121 8.535 -11.736 6.705 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.705 -12.937 6.827 1.00 0.00 O ATOM 994 NE2 GLN A 121 7.420 -11.270 6.161 1.00 0.00 N ATOM 0 H GLN A 121 9.788 -7.653 4.883 1.00 0.00 H new ATOM 0 HA GLN A 121 10.571 -8.421 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.208 -9.567 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.762 -10.378 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.426 -11.262 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.151 -10.119 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.283 -10.264 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.699 -11.917 5.842 1.00 0.00 H new ATOM 1003 N LYS A 122 12.810 -8.069 5.227 1.00 0.00 N ATOM 1004 CA LYS A 122 14.257 -7.897 5.080 1.00 0.00 C ATOM 1005 C LYS A 122 14.833 -6.905 6.113 1.00 0.00 C ATOM 1006 O LYS A 122 14.171 -5.940 6.511 1.00 0.00 O ATOM 1007 CB LYS A 122 14.604 -7.490 3.641 1.00 0.00 C ATOM 1008 CG LYS A 122 14.618 -8.687 2.677 1.00 0.00 C ATOM 1009 CD LYS A 122 14.952 -8.228 1.246 1.00 0.00 C ATOM 1010 CE LYS A 122 13.683 -7.763 0.521 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.985 -6.905 -0.642 1.00 0.00 N ATOM 0 H LYS A 122 12.269 -7.805 4.404 1.00 0.00 H new ATOM 0 HA LYS A 122 14.730 -8.858 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.880 -6.754 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.581 -7.007 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 122 15.353 -9.420 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 122 13.647 -9.181 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.678 -7.415 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.414 -9.046 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.117 -8.634 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.049 -7.216 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.099 -6.643 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.473 -6.044 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.596 -7.422 -1.306 1.00 0.00 H new ATOM 1025 N LYS A 123 16.067 -7.174 6.546 1.00 0.00 N ATOM 1026 CA LYS A 123 16.736 -6.587 7.709 1.00 0.00 C ATOM 1027 C LYS A 123 18.081 -5.946 7.326 1.00 0.00 C ATOM 1028 O LYS A 123 18.923 -6.607 6.719 1.00 0.00 O ATOM 1029 CB LYS A 123 16.935 -7.746 8.701 1.00 0.00 C ATOM 1030 CG LYS A 123 17.428 -7.336 10.092 1.00 0.00 C ATOM 1031 CD LYS A 123 18.963 -7.258 10.186 1.00 0.00 C ATOM 1032 CE LYS A 123 19.376 -6.736 11.567 1.00 0.00 C ATOM 1033 NZ LYS A 123 19.086 -5.292 11.683 1.00 0.00 N ATOM 0 H LYS A 123 16.662 -7.848 6.065 1.00 0.00 H new ATOM 0 HA LYS A 123 16.140 -5.784 8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.989 -8.276 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.648 -8.451 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 123 17.004 -6.366 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.060 -8.051 10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 123 19.397 -8.243 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.351 -6.600 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.842 -7.284 12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.440 -6.913 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.944 -5.046 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.885 -4.746 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.225 -5.067 11.146 1.00 0.00 H new ATOM 1047 N LEU A 124 18.351 -4.706 7.747 1.00 0.00 N ATOM 1048 CA LEU A 124 19.654 -4.077 7.511 1.00 0.00 C ATOM 1049 C LEU A 124 20.638 -4.452 8.630 1.00 0.00 C ATOM 1050 O LEU A 124 20.537 -4.001 9.771 1.00 0.00 O ATOM 1051 CB LEU A 124 19.500 -2.561 7.325 1.00 0.00 C ATOM 1052 CG LEU A 124 20.832 -1.803 7.167 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.767 -2.386 6.113 1.00 0.00 C ATOM 1054 CD2 LEU A 124 20.593 -0.354 6.759 1.00 0.00 C ATOM 0 H LEU A 124 17.686 -4.120 8.252 1.00 0.00 H new ATOM 0 HA LEU A 124 20.076 -4.458 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.883 -2.375 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.963 -2.154 8.182 1.00 0.00 H new ATOM 0 HG LEU A 124 21.299 -1.890 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 124 22.680 -1.792 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 124 22.016 -3.414 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.275 -2.369 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 124 21.550 0.157 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 124 20.061 -0.327 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 124 19.996 0.145 7.522 1.00 0.00 H new ATOM 1066 N TYR A 125 21.592 -5.334 8.337 1.00 0.00 N ATOM 1067 CA TYR A 125 22.648 -5.779 9.260 1.00 0.00 C ATOM 1068 C TYR A 125 23.673 -4.680 9.624 1.00 0.00 C ATOM 1069 O TYR A 125 24.630 -4.938 10.347 1.00 0.00 O ATOM 1070 CB TYR A 125 23.329 -7.023 8.669 1.00 0.00 C ATOM 1071 CG TYR A 125 23.698 -6.854 7.212 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.669 -5.899 6.856 1.00 0.00 C ATOM 1073 CD2 TYR A 125 22.825 -7.358 6.229 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.645 -5.320 5.578 1.00 0.00 C ATOM 1075 CE2 TYR A 125 22.809 -6.783 4.951 1.00 0.00 C ATOM 1076 CZ TYR A 125 23.698 -5.749 4.639 1.00 0.00 C ATOM 1077 OH TYR A 125 23.635 -5.159 3.422 1.00 0.00 O ATOM 0 H TYR A 125 21.658 -5.777 7.420 1.00 0.00 H new ATOM 0 HA TYR A 125 22.173 -6.028 10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.228 -7.246 9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 125 22.663 -7.880 8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.431 -5.612 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 125 22.170 -8.185 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.354 -4.547 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 125 22.111 -7.138 4.207 1.00 0.00 H new ATOM 0 HH TYR A 125 23.637 -5.847 2.724 1.00 0.00 H new ATOM 1087 N ARG A 126 23.465 -3.444 9.165 1.00 0.00 N ATOM 1088 CA ARG A 126 24.305 -2.275 9.418 1.00 0.00 C ATOM 1089 C ARG A 126 25.653 -2.337 8.686 1.00 0.00 C ATOM 1090 O ARG A 126 25.899 -1.528 7.798 1.00 0.00 O ATOM 1091 CB ARG A 126 24.474 -1.972 10.922 1.00 0.00 C ATOM 1092 CG ARG A 126 23.172 -1.537 11.609 1.00 0.00 C ATOM 1093 CD ARG A 126 22.385 -2.675 12.276 1.00 0.00 C ATOM 1094 NE ARG A 126 21.008 -2.247 12.620 1.00 0.00 N ATOM 1095 CZ ARG A 126 20.622 -1.467 13.637 1.00 0.00 C ATOM 1096 NH1 ARG A 126 21.475 -0.979 14.515 1.00 0.00 N ATOM 1097 NH2 ARG A 126 19.356 -1.137 13.759 1.00 0.00 N ATOM 0 H ARG A 126 22.663 -3.222 8.576 1.00 0.00 H new ATOM 0 HA ARG A 126 23.763 -1.430 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.860 -2.860 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 126 25.220 -1.187 11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 126 23.409 -0.787 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 126 22.531 -1.055 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 126 22.345 -3.534 11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 126 22.904 -2.999 13.178 1.00 0.00 H new ATOM 0 HE ARG A 126 20.266 -2.588 12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 126 22.469 -1.192 14.433 1.00 0.00 H new ATOM 0 HH12 ARG A 126 21.141 -0.388 15.276 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.673 -1.475 13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.056 -0.543 14.532 1.00 0.00 H new ATOM 1284 N LEU B 68 15.891 14.173 2.839 1.00 0.00 N ATOM 1285 CA LEU B 68 17.145 13.452 2.572 1.00 0.00 C ATOM 1286 C LEU B 68 18.427 14.297 2.685 1.00 0.00 C ATOM 1287 O LEU B 68 18.793 15.058 1.788 1.00 0.00 O ATOM 1288 CB LEU B 68 17.049 12.684 1.244 1.00 0.00 C ATOM 1289 CG LEU B 68 16.678 11.210 1.466 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.342 11.040 2.183 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.582 10.529 0.101 1.00 0.00 C ATOM 0 HA LEU B 68 17.255 12.733 3.384 1.00 0.00 H new ATOM 0 HB2 LEU B 68 16.302 13.155 0.604 1.00 0.00 H new ATOM 0 HB3 LEU B 68 18.002 12.744 0.719 1.00 0.00 H new ATOM 0 HG LEU B 68 17.449 10.764 2.094 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.131 9.978 2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.389 11.523 3.159 1.00 0.00 H new ATOM 0 HD13 LEU B 68 14.550 11.497 1.590 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.319 9.480 0.236 1.00 0.00 H new ATOM 0 HD22 LEU B 68 15.816 11.021 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU B 68 17.543 10.600 -0.409 1.00 0.00 H new ATOM 1303 N SER B 69 19.118 14.154 3.809 1.00 0.00 N ATOM 1304 CA SER B 69 20.438 14.682 4.129 1.00 0.00 C ATOM 1305 C SER B 69 21.387 13.549 4.564 1.00 0.00 C ATOM 1306 O SER B 69 21.004 12.383 4.606 1.00 0.00 O ATOM 1307 CB SER B 69 20.267 15.740 5.222 1.00 0.00 C ATOM 1308 OG SER B 69 19.632 16.877 4.665 1.00 0.00 O ATOM 0 H SER B 69 18.735 13.619 4.588 1.00 0.00 H new ATOM 0 HA SER B 69 20.892 15.142 3.251 1.00 0.00 H new ATOM 0 HB2 SER B 69 19.672 15.341 6.043 1.00 0.00 H new ATOM 0 HB3 SER B 69 21.237 16.015 5.636 1.00 0.00 H new ATOM 0 HG SER B 69 19.517 17.560 5.358 1.00 0.00 H new ATOM 1314 N ALA B 70 22.646 13.902 4.848 1.00 0.00 N ATOM 1315 CA ALA B 70 23.779 12.988 5.022 1.00 0.00 C ATOM 1316 C ALA B 70 23.447 11.611 5.625 1.00 0.00 C ATOM 1317 O ALA B 70 23.629 10.593 4.964 1.00 0.00 O ATOM 1318 CB ALA B 70 24.865 13.703 5.835 1.00 0.00 C ATOM 0 H ALA B 70 22.914 14.879 4.968 1.00 0.00 H new ATOM 0 HA ALA B 70 24.129 12.744 4.019 1.00 0.00 H new ATOM 0 HB1 ALA B 70 25.715 13.035 5.973 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.189 14.597 5.302 1.00 0.00 H new ATOM 0 HB3 ALA B 70 24.464 13.986 6.808 1.00 0.00 H new ATOM 1324 N CYS B 71 22.998 11.571 6.878 1.00 0.00 N ATOM 1325 CA CYS B 71 22.799 10.314 7.592 1.00 0.00 C ATOM 1326 C CYS B 71 21.701 9.421 6.989 1.00 0.00 C ATOM 1327 O CYS B 71 21.996 8.288 6.614 1.00 0.00 O ATOM 1328 CB CYS B 71 22.642 10.576 9.094 1.00 0.00 C ATOM 1329 SG CYS B 71 21.191 11.576 9.479 1.00 0.00 S ATOM 0 H CYS B 71 22.764 12.402 7.422 1.00 0.00 H new ATOM 0 HA CYS B 71 23.700 9.715 7.461 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.571 9.624 9.619 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.534 11.080 9.466 1.00 0.00 H new ATOM 0 HG CYS B 71 21.351 12.145 10.637 1.00 0.00 H new ATOM 1335 N GLU B 72 20.457 9.889 6.831 1.00 0.00 N ATOM 1336 CA GLU B 72 19.426 9.048 6.232 1.00 0.00 C ATOM 1337 C GLU B 72 19.756 8.668 4.775 1.00 0.00 C ATOM 1338 O GLU B 72 19.498 7.546 4.357 1.00 0.00 O ATOM 1339 CB GLU B 72 18.026 9.643 6.454 1.00 0.00 C ATOM 1340 CG GLU B 72 17.752 10.950 5.689 1.00 0.00 C ATOM 1341 CD GLU B 72 18.188 12.221 6.388 1.00 0.00 C ATOM 1342 OE1 GLU B 72 18.951 12.187 7.376 1.00 0.00 O ATOM 1343 OE2 GLU B 72 17.728 13.286 5.935 1.00 0.00 O ATOM 0 H GLU B 72 20.149 10.823 7.103 1.00 0.00 H new ATOM 0 HA GLU B 72 19.413 8.091 6.753 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.281 8.903 6.160 1.00 0.00 H new ATOM 0 HB3 GLU B 72 17.889 9.827 7.520 1.00 0.00 H new ATOM 0 HG2 GLU B 72 18.255 10.897 4.723 1.00 0.00 H new ATOM 0 HG3 GLU B 72 16.683 11.015 5.489 1.00 0.00 H new ATOM 1350 N VAL B 73 20.409 9.550 4.011 1.00 0.00 N ATOM 1351 CA VAL B 73 20.884 9.235 2.659 1.00 0.00 C ATOM 1352 C VAL B 73 21.929 8.108 2.677 1.00 0.00 C ATOM 1353 O VAL B 73 21.791 7.121 1.963 1.00 0.00 O ATOM 1354 CB VAL B 73 21.418 10.510 1.984 1.00 0.00 C ATOM 1355 CG1 VAL B 73 22.098 10.212 0.645 1.00 0.00 C ATOM 1356 CG2 VAL B 73 20.267 11.478 1.698 1.00 0.00 C ATOM 0 H VAL B 73 20.623 10.501 4.312 1.00 0.00 H new ATOM 0 HA VAL B 73 20.045 8.865 2.069 1.00 0.00 H new ATOM 0 HB VAL B 73 22.143 10.943 2.673 1.00 0.00 H new ATOM 0 HG11 VAL B 73 22.459 11.142 0.205 1.00 0.00 H new ATOM 0 HG12 VAL B 73 22.938 9.536 0.806 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.382 9.745 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL B 73 20.657 12.377 1.220 1.00 0.00 H new ATOM 0 HG22 VAL B 73 19.545 11.000 1.036 1.00 0.00 H new ATOM 0 HG23 VAL B 73 19.778 11.748 2.634 1.00 0.00 H new ATOM 1366 N ALA B 74 22.959 8.233 3.515 1.00 0.00 N ATOM 1367 CA ALA B 74 23.969 7.184 3.694 1.00 0.00 C ATOM 1368 C ALA B 74 23.325 5.843 4.090 1.00 0.00 C ATOM 1369 O ALA B 74 23.721 4.758 3.664 1.00 0.00 O ATOM 1370 CB ALA B 74 24.969 7.647 4.760 1.00 0.00 C ATOM 0 H ALA B 74 23.118 9.061 4.088 1.00 0.00 H new ATOM 0 HA ALA B 74 24.486 7.018 2.749 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.728 6.878 4.906 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.447 8.571 4.434 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.445 7.822 5.699 1.00 0.00 H new ATOM 1376 N VAL B 75 22.299 5.927 4.929 1.00 0.00 N ATOM 1377 CA VAL B 75 21.557 4.769 5.393 1.00 0.00 C ATOM 1378 C VAL B 75 20.633 4.176 4.307 1.00 0.00 C ATOM 1379 O VAL B 75 20.483 2.958 4.239 1.00 0.00 O ATOM 1380 CB VAL B 75 20.901 5.135 6.733 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.712 4.245 7.056 1.00 0.00 C ATOM 1382 CG2 VAL B 75 21.983 5.035 7.812 1.00 0.00 C ATOM 0 H VAL B 75 21.959 6.811 5.308 1.00 0.00 H new ATOM 0 HA VAL B 75 22.221 3.927 5.588 1.00 0.00 H new ATOM 0 HB VAL B 75 20.501 6.148 6.682 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.283 4.544 8.013 1.00 0.00 H new ATOM 0 HG12 VAL B 75 18.959 4.345 6.274 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.040 3.207 7.114 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.554 5.289 8.782 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.373 4.018 7.843 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.792 5.727 7.581 1.00 0.00 H new ATOM 1392 N LEU B 76 20.065 4.993 3.415 1.00 0.00 N ATOM 1393 CA LEU B 76 19.367 4.514 2.214 1.00 0.00 C ATOM 1394 C LEU B 76 20.256 3.641 1.310 1.00 0.00 C ATOM 1395 O LEU B 76 19.777 2.722 0.648 1.00 0.00 O ATOM 1396 CB LEU B 76 18.752 5.679 1.431 1.00 0.00 C ATOM 1397 CG LEU B 76 17.554 6.406 2.081 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.492 6.649 1.009 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.865 5.677 3.242 1.00 0.00 C ATOM 0 H LEU B 76 20.075 6.009 3.504 1.00 0.00 H new ATOM 0 HA LEU B 76 18.559 3.870 2.562 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.535 6.414 1.247 1.00 0.00 H new ATOM 0 HB3 LEU B 76 18.433 5.303 0.459 1.00 0.00 H new ATOM 0 HG LEU B 76 17.980 7.316 2.504 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.638 7.162 1.452 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.912 7.264 0.213 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.167 5.694 0.596 1.00 0.00 H new ATOM 0 HD21 LEU B 76 16.041 6.285 3.615 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.480 4.719 2.893 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.584 5.509 4.044 1.00 0.00 H new ATOM 1411 N ASP B 77 21.559 3.906 1.305 1.00 0.00 N ATOM 1412 CA ASP B 77 22.515 3.145 0.506 1.00 0.00 C ATOM 1413 C ASP B 77 22.766 1.780 1.169 1.00 0.00 C ATOM 1414 O ASP B 77 22.504 0.735 0.577 1.00 0.00 O ATOM 1415 CB ASP B 77 23.781 3.992 0.309 1.00 0.00 C ATOM 1416 CG ASP B 77 24.786 3.305 -0.596 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.301 2.253 -0.166 1.00 0.00 O ATOM 1418 OD2 ASP B 77 25.038 3.848 -1.690 1.00 0.00 O ATOM 0 H ASP B 77 21.982 4.654 1.854 1.00 0.00 H new ATOM 0 HA ASP B 77 22.126 2.928 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP B 77 23.509 4.958 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.240 4.189 1.278 1.00 0.00 H new ATOM 1423 N LEU B 78 23.141 1.776 2.456 1.00 0.00 N ATOM 1424 CA LEU B 78 23.221 0.557 3.249 1.00 0.00 C ATOM 1425 C LEU B 78 21.936 -0.279 3.133 1.00 0.00 C ATOM 1426 O LEU B 78 21.989 -1.505 3.018 1.00 0.00 O ATOM 1427 CB LEU B 78 23.525 0.924 4.705 1.00 0.00 C ATOM 1428 CG LEU B 78 24.930 1.501 4.921 1.00 0.00 C ATOM 1429 CD1 LEU B 78 25.022 2.102 6.328 1.00 0.00 C ATOM 1430 CD2 LEU B 78 26.028 0.445 4.752 1.00 0.00 C ATOM 0 H LEU B 78 23.396 2.620 2.969 1.00 0.00 H new ATOM 0 HA LEU B 78 24.029 -0.065 2.863 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.788 1.650 5.048 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.409 0.035 5.325 1.00 0.00 H new ATOM 0 HG LEU B 78 25.089 2.267 4.162 1.00 0.00 H new ATOM 0 HD11 LEU B 78 26.020 2.513 6.484 1.00 0.00 H new ATOM 0 HD12 LEU B 78 24.282 2.896 6.434 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.830 1.326 7.069 1.00 0.00 H new ATOM 0 HD21 LEU B 78 27.003 0.904 4.915 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.878 -0.355 5.477 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.985 0.034 3.744 1.00 0.00 H new ATOM 1442 N TYR B 79 20.763 0.358 3.127 1.00 0.00 N ATOM 1443 CA TYR B 79 19.524 -0.346 2.849 1.00 0.00 C ATOM 1444 C TYR B 79 19.538 -1.090 1.509 1.00 0.00 C ATOM 1445 O TYR B 79 19.277 -2.289 1.502 1.00 0.00 O ATOM 1446 CB TYR B 79 18.317 0.594 2.909 1.00 0.00 C ATOM 1447 CG TYR B 79 17.790 0.855 4.296 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.552 -0.215 5.177 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.545 2.165 4.725 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.345 0.041 6.540 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.303 2.410 6.077 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.394 1.364 6.989 1.00 0.00 C ATOM 1453 OH TYR B 79 17.306 1.619 8.313 1.00 0.00 O ATOM 0 H TYR B 79 20.652 1.355 3.311 1.00 0.00 H new ATOM 0 HA TYR B 79 19.433 -1.095 3.635 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.592 1.546 2.455 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.515 0.172 2.304 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.529 -1.229 4.806 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.543 2.979 4.015 1.00 0.00 H new ATOM 0 HE1 TYR B 79 17.152 -0.768 7.229 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.047 3.404 6.413 1.00 0.00 H new ATOM 0 HH TYR B 79 17.942 1.053 8.798 1.00 0.00 H new ATOM 1463 N GLU B 80 19.819 -0.452 0.377 1.00 0.00 N ATOM 1464 CA GLU B 80 19.792 -1.189 -0.888 1.00 0.00 C ATOM 1465 C GLU B 80 20.996 -2.136 -1.070 1.00 0.00 C ATOM 1466 O GLU B 80 20.869 -3.186 -1.701 1.00 0.00 O ATOM 1467 CB GLU B 80 19.471 -0.258 -2.060 1.00 0.00 C ATOM 1468 CG GLU B 80 18.002 0.229 -1.987 1.00 0.00 C ATOM 1469 CD GLU B 80 16.903 -0.789 -2.341 1.00 0.00 C ATOM 1470 OE1 GLU B 80 17.184 -2.009 -2.377 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.762 -0.325 -2.551 1.00 0.00 O ATOM 0 H GLU B 80 20.060 0.536 0.304 1.00 0.00 H new ATOM 0 HA GLU B 80 18.959 -1.892 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU B 80 20.144 0.599 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU B 80 19.640 -0.780 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.816 0.589 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU B 80 17.897 1.085 -2.654 1.00 0.00 H new ATOM 1478 N GLN B 81 22.111 -1.905 -0.370 1.00 0.00 N ATOM 1479 CA GLN B 81 23.080 -2.980 -0.110 1.00 0.00 C ATOM 1480 C GLN B 81 22.415 -4.195 0.575 1.00 0.00 C ATOM 1481 O GLN B 81 22.705 -5.341 0.233 1.00 0.00 O ATOM 1482 CB GLN B 81 24.269 -2.492 0.730 1.00 0.00 C ATOM 1483 CG GLN B 81 25.127 -1.402 0.067 1.00 0.00 C ATOM 1484 CD GLN B 81 26.314 -1.027 0.948 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.885 -1.869 1.635 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.708 0.229 0.976 1.00 0.00 N ATOM 0 H GLN B 81 22.365 -0.998 0.023 1.00 0.00 H new ATOM 0 HA GLN B 81 23.457 -3.294 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.892 -2.110 1.679 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.907 -3.345 0.961 1.00 0.00 H new ATOM 0 HG2 GLN B 81 25.485 -1.755 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.517 -0.519 -0.122 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.231 0.926 0.404 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.490 0.505 1.570 1.00 0.00 H new ATOM 1495 N SER B 82 21.499 -3.964 1.525 1.00 0.00 N ATOM 1496 CA SER B 82 20.664 -5.022 2.115 1.00 0.00 C ATOM 1497 C SER B 82 19.429 -5.387 1.266 1.00 0.00 C ATOM 1498 O SER B 82 18.574 -6.161 1.699 1.00 0.00 O ATOM 1499 CB SER B 82 20.320 -4.713 3.577 1.00 0.00 C ATOM 1500 OG SER B 82 19.275 -3.789 3.779 1.00 0.00 O ATOM 0 H SER B 82 21.315 -3.037 1.908 1.00 0.00 H new ATOM 0 HA SER B 82 21.270 -5.928 2.112 1.00 0.00 H new ATOM 0 HB2 SER B 82 20.055 -5.647 4.073 1.00 0.00 H new ATOM 0 HB3 SER B 82 21.216 -4.333 4.069 1.00 0.00 H new ATOM 0 HG SER B 82 19.204 -3.200 2.999 1.00 0.00 H new ATOM 1506 N ASN B 83 19.326 -4.826 0.057 1.00 0.00 N ATOM 1507 CA ASN B 83 18.165 -4.860 -0.827 1.00 0.00 C ATOM 1508 C ASN B 83 16.863 -4.446 -0.118 1.00 0.00 C ATOM 1509 O ASN B 83 15.887 -5.194 -0.109 1.00 0.00 O ATOM 1510 CB ASN B 83 18.080 -6.224 -1.526 1.00 0.00 C ATOM 1511 CG ASN B 83 16.895 -6.315 -2.482 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.059 -7.210 -2.373 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.755 -5.374 -3.397 1.00 0.00 N ATOM 0 H ASN B 83 20.101 -4.305 -0.352 1.00 0.00 H new ATOM 0 HA ASN B 83 18.299 -4.104 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN B 83 19.003 -6.405 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN B 83 17.998 -7.010 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN B 83 15.948 -5.385 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.454 -4.635 -3.480 1.00 0.00 H new ATOM 1520 N ILE B 84 16.845 -3.285 0.530 1.00 0.00 N ATOM 1521 CA ILE B 84 15.674 -2.744 1.221 1.00 0.00 C ATOM 1522 C ILE B 84 15.122 -1.443 0.601 1.00 0.00 C ATOM 1523 O ILE B 84 15.549 -0.348 0.956 1.00 0.00 O ATOM 1524 CB ILE B 84 16.012 -2.622 2.721 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.975 -4.040 3.316 1.00 0.00 C ATOM 1526 CG2 ILE B 84 15.098 -1.642 3.473 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.333 -4.093 4.799 1.00 0.00 C ATOM 0 H ILE B 84 17.663 -2.678 0.592 1.00 0.00 H new ATOM 0 HA ILE B 84 14.843 -3.438 1.097 1.00 0.00 H new ATOM 0 HB ILE B 84 17.007 -2.191 2.835 1.00 0.00 H new ATOM 0 HG12 ILE B 84 14.977 -4.457 3.177 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.666 -4.675 2.762 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.390 -1.604 4.522 1.00 0.00 H new ATOM 0 HG22 ILE B 84 15.191 -0.648 3.034 1.00 0.00 H new ATOM 0 HG23 ILE B 84 14.064 -1.977 3.396 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.285 -5.124 5.148 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.342 -3.707 4.944 1.00 0.00 H new ATOM 0 HD13 ILE B 84 15.627 -3.485 5.366 1.00 0.00 H new ATOM 1539 N ARG B 85 14.021 -1.541 -0.155 1.00 0.00 N ATOM 1540 CA ARG B 85 13.204 -0.348 -0.413 1.00 0.00 C ATOM 1541 C ARG B 85 12.565 0.105 0.910 1.00 0.00 C ATOM 1542 O ARG B 85 11.866 -0.659 1.584 1.00 0.00 O ATOM 1543 CB ARG B 85 12.140 -0.556 -1.513 1.00 0.00 C ATOM 1544 CG ARG B 85 11.460 0.788 -1.880 1.00 0.00 C ATOM 1545 CD ARG B 85 10.231 0.641 -2.800 1.00 0.00 C ATOM 1546 NE ARG B 85 9.366 1.851 -2.754 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.670 2.454 -3.730 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.575 1.989 -4.960 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.065 3.592 -3.471 1.00 0.00 N ATOM 0 H ARG B 85 13.683 -2.402 -0.586 1.00 0.00 H new ATOM 0 HA ARG B 85 13.860 0.432 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.606 -0.987 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.389 -1.267 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG B 85 11.155 1.291 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.192 1.431 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.561 0.467 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.653 -0.232 -2.499 1.00 0.00 H new ATOM 0 HE ARG B 85 9.290 2.291 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG B 85 9.047 1.122 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG B 85 8.029 2.496 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.129 4.003 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.532 4.064 -4.201 1.00 0.00 H new ATOM 1563 N ILE B 86 12.802 1.349 1.300 1.00 0.00 N ATOM 1564 CA ILE B 86 12.142 2.000 2.429 1.00 0.00 C ATOM 1565 C ILE B 86 10.841 2.679 1.955 1.00 0.00 C ATOM 1566 O ILE B 86 10.892 3.409 0.967 1.00 0.00 O ATOM 1567 CB ILE B 86 13.143 2.998 3.034 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.371 2.310 3.655 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.468 3.878 4.077 1.00 0.00 C ATOM 1570 CD1 ILE B 86 14.033 1.321 4.777 1.00 0.00 C ATOM 0 H ILE B 86 13.476 1.952 0.829 1.00 0.00 H new ATOM 0 HA ILE B 86 11.853 1.281 3.196 1.00 0.00 H new ATOM 0 HB ILE B 86 13.495 3.614 2.207 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.914 1.782 2.871 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.042 3.074 4.048 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.196 4.576 4.491 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.655 4.435 3.612 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.069 3.254 4.876 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.952 0.879 5.162 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.518 1.846 5.582 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.388 0.534 4.386 1.00 0.00 H new ATOM 1582 N PRO B 87 9.691 2.435 2.615 1.00 0.00 N ATOM 1583 CA PRO B 87 8.465 3.164 2.332 1.00 0.00 C ATOM 1584 C PRO B 87 8.663 4.686 2.365 1.00 0.00 C ATOM 1585 O PRO B 87 9.319 5.201 3.268 1.00 0.00 O ATOM 1586 CB PRO B 87 7.449 2.712 3.385 1.00 0.00 C ATOM 1587 CG PRO B 87 7.926 1.310 3.753 1.00 0.00 C ATOM 1588 CD PRO B 87 9.447 1.414 3.623 1.00 0.00 C ATOM 0 HA PRO B 87 8.120 2.946 1.321 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.444 3.375 4.250 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.435 2.700 2.986 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.626 1.035 4.764 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.515 0.556 3.082 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.903 1.687 4.575 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.880 0.459 3.325 1.00 0.00 H new ATOM 1596 N SER B 88 8.071 5.412 1.424 1.00 0.00 N ATOM 1597 CA SER B 88 8.116 6.873 1.372 1.00 0.00 C ATOM 1598 C SER B 88 7.729 7.500 2.724 1.00 0.00 C ATOM 1599 O SER B 88 8.431 8.368 3.239 1.00 0.00 O ATOM 1600 CB SER B 88 7.208 7.342 0.236 1.00 0.00 C ATOM 1601 OG SER B 88 7.230 8.753 0.109 1.00 0.00 O ATOM 0 H SER B 88 7.536 4.997 0.661 1.00 0.00 H new ATOM 0 HA SER B 88 9.135 7.204 1.174 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.528 6.885 -0.701 1.00 0.00 H new ATOM 0 HB3 SER B 88 6.187 7.007 0.421 1.00 0.00 H new ATOM 0 HG SER B 88 6.642 9.024 -0.626 1.00 0.00 H new ATOM 1607 N ASP B 89 6.663 6.996 3.344 1.00 0.00 N ATOM 1608 CA ASP B 89 6.230 7.368 4.684 1.00 0.00 C ATOM 1609 C ASP B 89 7.359 7.321 5.738 1.00 0.00 C ATOM 1610 O ASP B 89 7.491 8.236 6.546 1.00 0.00 O ATOM 1611 CB ASP B 89 5.055 6.454 5.047 1.00 0.00 C ATOM 1612 CG ASP B 89 3.887 6.653 4.109 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.982 6.193 2.956 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.881 7.234 4.558 1.00 0.00 O ATOM 0 H ASP B 89 6.060 6.296 2.911 1.00 0.00 H new ATOM 0 HA ASP B 89 5.921 8.413 4.685 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.378 5.414 5.012 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.739 6.655 6.071 1.00 0.00 H new ATOM 1619 N ILE B 90 8.204 6.280 5.731 1.00 0.00 N ATOM 1620 CA ILE B 90 9.384 6.253 6.605 1.00 0.00 C ATOM 1621 C ILE B 90 10.255 7.485 6.357 1.00 0.00 C ATOM 1622 O ILE B 90 10.591 8.214 7.282 1.00 0.00 O ATOM 1623 CB ILE B 90 10.251 5.003 6.367 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.608 3.673 6.772 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.628 5.139 7.033 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.464 3.522 8.281 1.00 0.00 C ATOM 0 H ILE B 90 8.095 5.457 5.139 1.00 0.00 H new ATOM 0 HA ILE B 90 9.014 6.239 7.630 1.00 0.00 H new ATOM 0 HB ILE B 90 10.360 4.962 5.283 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.625 3.594 6.308 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.210 2.851 6.385 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.214 4.239 6.845 1.00 0.00 H new ATOM 0 HG22 ILE B 90 12.148 6.003 6.620 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.501 5.271 8.107 1.00 0.00 H new ATOM 0 HD11 ILE B 90 9.003 2.561 8.508 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.448 3.571 8.747 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.838 4.326 8.669 1.00 0.00 H new ATOM 1638 N ILE B 91 10.680 7.681 5.109 1.00 0.00 N ATOM 1639 CA ILE B 91 11.577 8.764 4.719 1.00 0.00 C ATOM 1640 C ILE B 91 11.019 10.117 5.161 1.00 0.00 C ATOM 1641 O ILE B 91 11.734 10.958 5.710 1.00 0.00 O ATOM 1642 CB ILE B 91 11.773 8.677 3.194 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.669 7.463 2.901 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.345 9.983 2.640 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.644 7.007 1.439 1.00 0.00 C ATOM 0 H ILE B 91 10.406 7.082 4.330 1.00 0.00 H new ATOM 0 HA ILE B 91 12.544 8.666 5.211 1.00 0.00 H new ATOM 0 HB ILE B 91 10.817 8.538 2.690 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.695 7.707 3.177 1.00 0.00 H new ATOM 0 HG13 ILE B 91 12.357 6.633 3.535 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.474 9.895 1.561 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.659 10.802 2.858 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.310 10.184 3.105 1.00 0.00 H new ATOM 0 HD11 ILE B 91 13.301 6.147 1.315 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.627 6.730 1.162 1.00 0.00 H new ATOM 0 HD13 ILE B 91 12.986 7.820 0.798 1.00 0.00 H new ATOM 1657 N GLU B 92 9.725 10.306 4.929 1.00 0.00 N ATOM 1658 CA GLU B 92 9.001 11.479 5.375 1.00 0.00 C ATOM 1659 C GLU B 92 9.092 11.667 6.904 1.00 0.00 C ATOM 1660 O GLU B 92 9.646 12.660 7.382 1.00 0.00 O ATOM 1661 CB GLU B 92 7.573 11.363 4.826 1.00 0.00 C ATOM 1662 CG GLU B 92 6.666 12.533 5.233 1.00 0.00 C ATOM 1663 CD GLU B 92 7.265 13.907 5.023 1.00 0.00 C ATOM 1664 OE1 GLU B 92 8.015 14.147 4.048 1.00 0.00 O ATOM 1665 OE2 GLU B 92 6.983 14.787 5.862 1.00 0.00 O ATOM 0 H GLU B 92 9.147 9.638 4.419 1.00 0.00 H new ATOM 0 HA GLU B 92 9.447 12.394 4.985 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.613 11.306 3.738 1.00 0.00 H new ATOM 0 HB3 GLU B 92 7.131 10.431 5.178 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.737 12.467 4.667 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.406 12.423 6.286 1.00 0.00 H new ATOM 1672 N ASP B 93 8.623 10.694 7.688 1.00 0.00 N ATOM 1673 CA ASP B 93 8.654 10.746 9.145 1.00 0.00 C ATOM 1674 C ASP B 93 10.079 11.040 9.653 1.00 0.00 C ATOM 1675 O ASP B 93 10.318 11.998 10.386 1.00 0.00 O ATOM 1676 CB ASP B 93 8.102 9.403 9.660 1.00 0.00 C ATOM 1677 CG ASP B 93 8.304 9.199 11.147 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.093 10.166 11.902 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.673 8.070 11.538 1.00 0.00 O ATOM 0 H ASP B 93 8.206 9.838 7.321 1.00 0.00 H new ATOM 0 HA ASP B 93 8.036 11.559 9.525 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.037 9.346 9.435 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.586 8.589 9.120 1.00 0.00 H new ATOM 1684 N LEU B 94 11.051 10.260 9.181 1.00 0.00 N ATOM 1685 CA LEU B 94 12.462 10.417 9.545 1.00 0.00 C ATOM 1686 C LEU B 94 12.964 11.859 9.380 1.00 0.00 C ATOM 1687 O LEU B 94 13.582 12.427 10.280 1.00 0.00 O ATOM 1688 CB LEU B 94 13.345 9.452 8.724 1.00 0.00 C ATOM 1689 CG LEU B 94 14.063 8.411 9.589 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.970 9.046 10.647 1.00 0.00 C ATOM 1691 CD2 LEU B 94 13.033 7.452 10.187 1.00 0.00 C ATOM 0 H LEU B 94 10.881 9.494 8.529 1.00 0.00 H new ATOM 0 HA LEU B 94 12.538 10.170 10.604 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.725 8.939 7.988 1.00 0.00 H new ATOM 0 HB3 LEU B 94 14.086 10.029 8.170 1.00 0.00 H new ATOM 0 HG LEU B 94 14.738 7.838 8.954 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.453 8.262 11.230 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.730 9.654 10.157 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.373 9.675 11.308 1.00 0.00 H new ATOM 0 HD21 LEU B 94 13.541 6.710 10.803 1.00 0.00 H new ATOM 0 HD22 LEU B 94 12.328 8.012 10.801 1.00 0.00 H new ATOM 0 HD23 LEU B 94 12.495 6.949 9.384 1.00 0.00 H new ATOM 1703 N VAL B 95 12.693 12.454 8.220 1.00 0.00 N ATOM 1704 CA VAL B 95 13.017 13.846 7.919 1.00 0.00 C ATOM 1705 C VAL B 95 12.305 14.843 8.862 1.00 0.00 C ATOM 1706 O VAL B 95 12.852 15.906 9.160 1.00 0.00 O ATOM 1707 CB VAL B 95 12.740 14.084 6.426 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.723 15.567 6.039 1.00 0.00 C ATOM 1709 CG2 VAL B 95 13.822 13.364 5.610 1.00 0.00 C ATOM 0 H VAL B 95 12.233 11.972 7.448 1.00 0.00 H new ATOM 0 HA VAL B 95 14.074 14.034 8.109 1.00 0.00 H new ATOM 0 HB VAL B 95 11.745 13.693 6.213 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.522 15.662 4.972 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.944 16.081 6.602 1.00 0.00 H new ATOM 0 HG13 VAL B 95 13.691 16.014 6.267 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.641 13.522 4.547 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.802 13.761 5.875 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.792 12.296 5.828 1.00 0.00 H new ATOM 1719 N ASN B 96 11.107 14.525 9.362 1.00 0.00 N ATOM 1720 CA ASN B 96 10.485 15.298 10.443 1.00 0.00 C ATOM 1721 C ASN B 96 11.222 15.125 11.782 1.00 0.00 C ATOM 1722 O ASN B 96 11.627 16.112 12.390 1.00 0.00 O ATOM 1723 CB ASN B 96 8.993 14.967 10.585 1.00 0.00 C ATOM 1724 CG ASN B 96 8.201 15.387 9.360 1.00 0.00 C ATOM 1725 OD1 ASN B 96 7.858 16.556 9.206 1.00 0.00 O ATOM 1726 ND2 ASN B 96 7.923 14.458 8.468 1.00 0.00 N ATOM 0 H ASN B 96 10.548 13.737 9.035 1.00 0.00 H new ATOM 0 HA ASN B 96 10.570 16.349 10.165 1.00 0.00 H new ATOM 0 HB2 ASN B 96 8.872 13.896 10.745 1.00 0.00 H new ATOM 0 HB3 ASN B 96 8.592 15.468 11.466 1.00 0.00 H new ATOM 0 HD21 ASN B 96 7.409 14.702 7.621 1.00 0.00 H new ATOM 0 HD22 ASN B 96 8.222 13.495 8.624 1.00 0.00 H new ATOM 1733 N GLN B 97 11.396 13.887 12.254 1.00 0.00 N ATOM 1734 CA GLN B 97 11.985 13.625 13.573 1.00 0.00 C ATOM 1735 C GLN B 97 13.460 14.053 13.697 1.00 0.00 C ATOM 1736 O GLN B 97 13.882 14.512 14.755 1.00 0.00 O ATOM 1737 CB GLN B 97 11.820 12.151 13.979 1.00 0.00 C ATOM 1738 CG GLN B 97 10.417 11.548 13.789 1.00 0.00 C ATOM 1739 CD GLN B 97 9.256 12.407 14.276 1.00 0.00 C ATOM 1740 OE1 GLN B 97 9.362 13.172 15.226 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.106 12.279 13.643 1.00 0.00 N ATOM 0 H GLN B 97 11.136 13.045 11.740 1.00 0.00 H new ATOM 0 HA GLN B 97 11.424 14.253 14.265 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.530 11.556 13.404 1.00 0.00 H new ATOM 0 HB3 GLN B 97 12.097 12.051 15.029 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.272 11.341 12.729 1.00 0.00 H new ATOM 0 HG3 GLN B 97 10.380 10.591 14.309 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.027 11.639 12.853 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.295 12.820 13.944 1.00 0.00 H new ATOM 1750 N ARG B 98 14.251 13.877 12.634 1.00 0.00 N ATOM 1751 CA ARG B 98 15.655 14.277 12.554 1.00 0.00 C ATOM 1752 C ARG B 98 16.537 13.710 13.680 1.00 0.00 C ATOM 1753 O ARG B 98 17.016 14.416 14.563 1.00 0.00 O ATOM 1754 CB ARG B 98 15.720 15.798 12.391 1.00 0.00 C ATOM 1755 CG ARG B 98 17.105 16.458 12.456 1.00 0.00 C ATOM 1756 CD ARG B 98 18.180 15.759 11.620 1.00 0.00 C ATOM 1757 NE ARG B 98 17.787 15.713 10.200 1.00 0.00 N ATOM 1758 CZ ARG B 98 17.985 14.718 9.329 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.482 13.543 9.681 1.00 0.00 N ATOM 1760 NH2 ARG B 98 17.692 14.921 8.066 1.00 0.00 N ATOM 0 H ARG B 98 13.917 13.436 11.777 1.00 0.00 H new ATOM 0 HA ARG B 98 16.102 13.821 11.671 1.00 0.00 H new ATOM 0 HB2 ARG B 98 15.270 16.053 11.432 1.00 0.00 H new ATOM 0 HB3 ARG B 98 15.097 16.246 13.165 1.00 0.00 H new ATOM 0 HG2 ARG B 98 17.017 17.492 12.121 1.00 0.00 H new ATOM 0 HG3 ARG B 98 17.432 16.486 13.495 1.00 0.00 H new ATOM 0 HD2 ARG B 98 19.128 16.286 11.723 1.00 0.00 H new ATOM 0 HD3 ARG B 98 18.336 14.747 11.992 1.00 0.00 H new ATOM 0 HE ARG B 98 17.307 16.538 9.839 1.00 0.00 H new ATOM 0 HH11 ARG B 98 18.732 13.366 10.654 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.615 12.815 8.979 1.00 0.00 H new ATOM 0 HH21 ARG B 98 17.322 15.823 7.767 1.00 0.00 H new ATOM 0 HH22 ARG B 98 17.835 14.177 7.383 1.00 0.00 H new ATOM 1774 N LEU B 99 16.859 12.422 13.569 1.00 0.00 N ATOM 1775 CA LEU B 99 17.979 11.836 14.304 1.00 0.00 C ATOM 1776 C LEU B 99 19.303 12.184 13.597 1.00 0.00 C ATOM 1777 O LEU B 99 19.301 12.490 12.396 1.00 0.00 O ATOM 1778 CB LEU B 99 17.752 10.331 14.484 1.00 0.00 C ATOM 1779 CG LEU B 99 16.301 9.973 14.859 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.186 8.466 15.082 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.853 10.689 16.140 1.00 0.00 C ATOM 0 H LEU B 99 16.358 11.762 12.974 1.00 0.00 H new ATOM 0 HA LEU B 99 18.044 12.258 15.307 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.018 9.818 13.560 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.422 9.960 15.259 1.00 0.00 H new ATOM 0 HG LEU B 99 15.661 10.293 14.037 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.159 8.215 15.347 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.464 7.941 14.168 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.853 8.166 15.890 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.825 10.411 16.372 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.502 10.398 16.966 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.913 11.768 15.994 1.00 0.00 H new ATOM 1793 N GLN B 100 20.423 12.210 14.326 1.00 0.00 N ATOM 1794 CA GLN B 100 21.653 12.845 13.849 1.00 0.00 C ATOM 1795 C GLN B 100 22.629 11.874 13.169 1.00 0.00 C ATOM 1796 O GLN B 100 23.007 12.112 12.023 1.00 0.00 O ATOM 1797 CB GLN B 100 22.311 13.753 14.907 1.00 0.00 C ATOM 1798 CG GLN B 100 22.307 13.267 16.365 1.00 0.00 C ATOM 1799 CD GLN B 100 21.040 13.663 17.120 1.00 0.00 C ATOM 1800 OE1 GLN B 100 20.856 14.823 17.463 1.00 0.00 O ATOM 1801 NE2 GLN B 100 20.158 12.729 17.416 1.00 0.00 N ATOM 0 H GLN B 100 20.502 11.795 15.255 1.00 0.00 H new ATOM 0 HA GLN B 100 21.340 13.516 13.049 1.00 0.00 H new ATOM 0 HB2 GLN B 100 23.347 13.917 14.611 1.00 0.00 H new ATOM 0 HB3 GLN B 100 21.813 14.722 14.875 1.00 0.00 H new ATOM 0 HG2 GLN B 100 22.409 12.182 16.381 1.00 0.00 H new ATOM 0 HG3 GLN B 100 23.175 13.677 16.882 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.320 11.765 17.126 1.00 0.00 H new ATOM 0 HE22 GLN B 100 19.314 12.971 17.935 1.00 0.00 H new ATOM 1810 N SER B 101 23.067 10.797 13.824 1.00 0.00 N ATOM 1811 CA SER B 101 23.974 9.840 13.181 1.00 0.00 C ATOM 1812 C SER B 101 23.256 8.730 12.399 1.00 0.00 C ATOM 1813 O SER B 101 22.098 8.382 12.646 1.00 0.00 O ATOM 1814 CB SER B 101 24.985 9.262 14.177 1.00 0.00 C ATOM 1815 OG SER B 101 24.463 8.145 14.864 1.00 0.00 O ATOM 0 H SER B 101 22.814 10.566 14.785 1.00 0.00 H new ATOM 0 HA SER B 101 24.522 10.416 12.436 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.892 8.972 13.647 1.00 0.00 H new ATOM 0 HB3 SER B 101 25.268 10.031 14.896 1.00 0.00 H new ATOM 0 HG SER B 101 23.939 8.450 15.634 1.00 0.00 H new ATOM 1821 N GLU B 102 23.988 8.144 11.455 1.00 0.00 N ATOM 1822 CA GLU B 102 23.608 6.996 10.643 1.00 0.00 C ATOM 1823 C GLU B 102 22.944 5.897 11.488 1.00 0.00 C ATOM 1824 O GLU B 102 21.855 5.422 11.185 1.00 0.00 O ATOM 1825 CB GLU B 102 24.865 6.476 9.919 1.00 0.00 C ATOM 1826 CG GLU B 102 25.611 7.581 9.139 1.00 0.00 C ATOM 1827 CD GLU B 102 26.767 8.210 9.895 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.533 8.909 10.908 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.940 7.976 9.534 1.00 0.00 O ATOM 0 H GLU B 102 24.922 8.482 11.224 1.00 0.00 H new ATOM 0 HA GLU B 102 22.864 7.301 9.907 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.542 6.034 10.650 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.578 5.682 9.229 1.00 0.00 H new ATOM 0 HG2 GLU B 102 25.988 7.160 8.207 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.900 8.362 8.871 1.00 0.00 H new ATOM 1836 N GLN B 103 23.588 5.529 12.593 1.00 0.00 N ATOM 1837 CA GLN B 103 23.128 4.491 13.509 1.00 0.00 C ATOM 1838 C GLN B 103 21.700 4.751 14.000 1.00 0.00 C ATOM 1839 O GLN B 103 20.857 3.855 14.025 1.00 0.00 O ATOM 1840 CB GLN B 103 24.132 4.423 14.670 1.00 0.00 C ATOM 1841 CG GLN B 103 23.842 3.330 15.707 1.00 0.00 C ATOM 1842 CD GLN B 103 24.110 1.919 15.199 1.00 0.00 C ATOM 1843 OE1 GLN B 103 23.209 1.112 15.008 1.00 0.00 O ATOM 1844 NE2 GLN B 103 25.366 1.568 15.004 1.00 0.00 N ATOM 0 H GLN B 103 24.468 5.957 12.883 1.00 0.00 H new ATOM 0 HA GLN B 103 23.086 3.531 12.995 1.00 0.00 H new ATOM 0 HB2 GLN B 103 25.129 4.261 14.261 1.00 0.00 H new ATOM 0 HB3 GLN B 103 24.148 5.389 15.175 1.00 0.00 H new ATOM 0 HG2 GLN B 103 24.452 3.510 16.592 1.00 0.00 H new ATOM 0 HG3 GLN B 103 22.800 3.403 16.018 1.00 0.00 H new ATOM 0 HE21 GLN B 103 26.115 2.242 15.164 1.00 0.00 H new ATOM 0 HE22 GLN B 103 25.589 0.622 14.693 1.00 0.00 H new ATOM 1853 N GLU B 104 21.424 5.989 14.384 1.00 0.00 N ATOM 1854 CA GLU B 104 20.140 6.368 14.948 1.00 0.00 C ATOM 1855 C GLU B 104 19.034 6.265 13.903 1.00 0.00 C ATOM 1856 O GLU B 104 17.996 5.652 14.153 1.00 0.00 O ATOM 1857 CB GLU B 104 20.232 7.797 15.457 1.00 0.00 C ATOM 1858 CG GLU B 104 21.352 7.994 16.481 1.00 0.00 C ATOM 1859 CD GLU B 104 21.752 9.460 16.494 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.851 10.319 16.393 1.00 0.00 O ATOM 1861 OE2 GLU B 104 22.971 9.710 16.439 1.00 0.00 O ATOM 0 H GLU B 104 22.088 6.760 14.312 1.00 0.00 H new ATOM 0 HA GLU B 104 19.897 5.690 15.766 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.396 8.468 14.614 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.281 8.079 15.908 1.00 0.00 H new ATOM 0 HG2 GLU B 104 21.016 7.686 17.471 1.00 0.00 H new ATOM 0 HG3 GLU B 104 22.210 7.371 16.227 1.00 0.00 H new ATOM 1868 N VAL B 105 19.264 6.834 12.715 1.00 0.00 N ATOM 1869 CA VAL B 105 18.264 6.742 11.664 1.00 0.00 C ATOM 1870 C VAL B 105 18.066 5.275 11.287 1.00 0.00 C ATOM 1871 O VAL B 105 16.932 4.815 11.244 1.00 0.00 O ATOM 1872 CB VAL B 105 18.534 7.670 10.466 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.538 9.145 10.887 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.860 7.392 9.769 1.00 0.00 C ATOM 0 H VAL B 105 20.110 7.347 12.468 1.00 0.00 H new ATOM 0 HA VAL B 105 17.319 7.121 12.053 1.00 0.00 H new ATOM 0 HB VAL B 105 17.720 7.464 9.771 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.732 9.771 10.016 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.569 9.405 11.312 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.317 9.309 11.632 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.984 8.083 8.935 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.678 7.526 10.477 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.867 6.368 9.396 1.00 0.00 H new ATOM 1884 N LEU B 106 19.130 4.475 11.141 1.00 0.00 N ATOM 1885 CA LEU B 106 18.899 3.065 10.827 1.00 0.00 C ATOM 1886 C LEU B 106 18.186 2.294 11.959 1.00 0.00 C ATOM 1887 O LEU B 106 17.413 1.377 11.689 1.00 0.00 O ATOM 1888 CB LEU B 106 20.130 2.380 10.210 1.00 0.00 C ATOM 1889 CG LEU B 106 21.347 2.235 11.120 1.00 0.00 C ATOM 1890 CD1 LEU B 106 21.178 1.110 12.129 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.604 1.963 10.283 1.00 0.00 C ATOM 0 H LEU B 106 20.105 4.760 11.229 1.00 0.00 H new ATOM 0 HA LEU B 106 18.166 3.037 10.021 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.835 1.387 9.871 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.428 2.943 9.326 1.00 0.00 H new ATOM 0 HG LEU B 106 21.449 3.173 11.666 1.00 0.00 H new ATOM 0 HD11 LEU B 106 22.069 1.045 12.754 1.00 0.00 H new ATOM 0 HD12 LEU B 106 20.309 1.311 12.755 1.00 0.00 H new ATOM 0 HD13 LEU B 106 21.035 0.167 11.602 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.466 1.861 10.943 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.471 1.042 9.716 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.770 2.792 9.595 1.00 0.00 H new ATOM 1903 N ASN B 107 18.378 2.675 13.229 1.00 0.00 N ATOM 1904 CA ASN B 107 17.602 2.113 14.339 1.00 0.00 C ATOM 1905 C ASN B 107 16.108 2.445 14.216 1.00 0.00 C ATOM 1906 O ASN B 107 15.266 1.545 14.145 1.00 0.00 O ATOM 1907 CB ASN B 107 18.143 2.602 15.689 1.00 0.00 C ATOM 1908 CG ASN B 107 19.525 2.063 16.024 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.883 0.943 15.654 1.00 0.00 O ATOM 1910 ND2 ASN B 107 20.302 2.837 16.765 1.00 0.00 N ATOM 0 H ASN B 107 19.067 3.372 13.512 1.00 0.00 H new ATOM 0 HA ASN B 107 17.710 1.030 14.289 1.00 0.00 H new ATOM 0 HB2 ASN B 107 18.179 3.691 15.683 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.448 2.310 16.476 1.00 0.00 H new ATOM 0 HD21 ASN B 107 21.227 2.511 17.046 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.976 3.759 17.055 1.00 0.00 H new ATOM 1917 N TYR B 108 15.779 3.736 14.206 1.00 0.00 N ATOM 1918 CA TYR B 108 14.397 4.195 14.114 1.00 0.00 C ATOM 1919 C TYR B 108 13.717 3.660 12.844 1.00 0.00 C ATOM 1920 O TYR B 108 12.622 3.111 12.912 1.00 0.00 O ATOM 1921 CB TYR B 108 14.369 5.722 14.226 1.00 0.00 C ATOM 1922 CG TYR B 108 12.993 6.367 14.223 1.00 0.00 C ATOM 1923 CD1 TYR B 108 11.969 5.887 15.061 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.763 7.520 13.450 1.00 0.00 C ATOM 1925 CE1 TYR B 108 10.702 6.500 15.047 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.477 8.086 13.384 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.445 7.572 14.178 1.00 0.00 C ATOM 1928 OH TYR B 108 9.202 8.111 14.149 1.00 0.00 O ATOM 0 H TYR B 108 16.463 4.491 14.261 1.00 0.00 H new ATOM 0 HA TYR B 108 13.813 3.794 14.942 1.00 0.00 H new ATOM 0 HB2 TYR B 108 14.880 6.008 15.145 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.945 6.137 13.399 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.156 5.048 15.715 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.578 7.973 12.905 1.00 0.00 H new ATOM 0 HE1 TYR B 108 9.925 6.144 15.707 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.286 8.917 12.721 1.00 0.00 H new ATOM 0 HH TYR B 108 8.828 8.022 13.248 1.00 0.00 H new ATOM 1938 N ILE B 109 14.397 3.708 11.701 1.00 0.00 N ATOM 1939 CA ILE B 109 13.914 3.118 10.455 1.00 0.00 C ATOM 1940 C ILE B 109 13.650 1.607 10.568 1.00 0.00 C ATOM 1941 O ILE B 109 12.551 1.173 10.243 1.00 0.00 O ATOM 1942 CB ILE B 109 14.869 3.425 9.296 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.928 4.924 8.976 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.422 2.659 8.047 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.108 5.250 8.059 1.00 0.00 C ATOM 0 H ILE B 109 15.306 4.161 11.613 1.00 0.00 H new ATOM 0 HA ILE B 109 12.951 3.584 10.245 1.00 0.00 H new ATOM 0 HB ILE B 109 15.867 3.110 9.601 1.00 0.00 H new ATOM 0 HG12 ILE B 109 13.998 5.233 8.499 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.016 5.493 9.902 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.102 2.878 7.223 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.434 1.589 8.253 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.412 2.965 7.775 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.122 6.320 7.851 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.039 4.963 8.548 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.005 4.700 7.124 1.00 0.00 H new ATOM 1957 N GLU B 110 14.597 0.767 11.010 1.00 0.00 N ATOM 1958 CA GLU B 110 14.296 -0.661 11.198 1.00 0.00 C ATOM 1959 C GLU B 110 13.056 -0.882 12.107 1.00 0.00 C ATOM 1960 O GLU B 110 12.215 -1.753 11.836 1.00 0.00 O ATOM 1961 CB GLU B 110 15.540 -1.434 11.685 1.00 0.00 C ATOM 1962 CG GLU B 110 16.594 -1.682 10.577 1.00 0.00 C ATOM 1963 CD GLU B 110 17.548 -2.821 10.889 1.00 0.00 C ATOM 1964 OE1 GLU B 110 18.423 -2.674 11.775 1.00 0.00 O ATOM 1965 OE2 GLU B 110 17.403 -3.901 10.271 1.00 0.00 O ATOM 0 H GLU B 110 15.553 1.040 11.239 1.00 0.00 H new ATOM 0 HA GLU B 110 14.029 -1.073 10.225 1.00 0.00 H new ATOM 0 HB2 GLU B 110 16.006 -0.879 12.499 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.223 -2.394 12.094 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.080 -1.896 9.640 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.169 -0.769 10.424 1.00 0.00 H new ATOM 1972 N THR B 111 12.917 -0.071 13.157 1.00 0.00 N ATOM 1973 CA THR B 111 11.752 -0.078 14.052 1.00 0.00 C ATOM 1974 C THR B 111 10.446 0.286 13.323 1.00 0.00 C ATOM 1975 O THR B 111 9.551 -0.549 13.193 1.00 0.00 O ATOM 1976 CB THR B 111 12.003 0.823 15.272 1.00 0.00 C ATOM 1977 OG1 THR B 111 13.249 0.487 15.847 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.937 0.620 16.348 1.00 0.00 C ATOM 0 H THR B 111 13.620 0.621 13.416 1.00 0.00 H new ATOM 0 HA THR B 111 11.619 -1.099 14.409 1.00 0.00 H new ATOM 0 HB THR B 111 11.980 1.857 14.929 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.971 0.889 15.320 1.00 0.00 H new ATOM 0 HG21 THR B 111 11.146 1.273 17.195 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.956 0.861 15.938 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.947 -0.418 16.679 1.00 0.00 H new ATOM 1986 N GLN B 112 10.341 1.498 12.776 1.00 0.00 N ATOM 1987 CA GLN B 112 9.190 1.966 12.008 1.00 0.00 C ATOM 1988 C GLN B 112 8.871 1.039 10.817 1.00 0.00 C ATOM 1989 O GLN B 112 7.721 0.782 10.478 1.00 0.00 O ATOM 1990 CB GLN B 112 9.458 3.408 11.547 1.00 0.00 C ATOM 1991 CG GLN B 112 9.500 4.444 12.680 1.00 0.00 C ATOM 1992 CD GLN B 112 8.106 4.765 13.195 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.523 3.988 13.938 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.531 5.873 12.776 1.00 0.00 N ATOM 0 H GLN B 112 11.076 2.200 12.858 1.00 0.00 H new ATOM 0 HA GLN B 112 8.307 1.947 12.646 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.408 3.434 11.013 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.684 3.698 10.836 1.00 0.00 H new ATOM 0 HG2 GLN B 112 10.113 4.065 13.498 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.976 5.357 12.322 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.036 6.507 12.157 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.581 6.097 13.071 1.00 0.00 H new ATOM 2003 N ARG B 113 9.889 0.470 10.175 1.00 0.00 N ATOM 2004 CA ARG B 113 9.717 -0.535 9.125 1.00 0.00 C ATOM 2005 C ARG B 113 9.096 -1.834 9.674 1.00 0.00 C ATOM 2006 O ARG B 113 8.384 -2.557 8.977 1.00 0.00 O ATOM 2007 CB ARG B 113 11.067 -0.774 8.434 1.00 0.00 C ATOM 2008 CG ARG B 113 10.886 -1.571 7.142 1.00 0.00 C ATOM 2009 CD ARG B 113 12.173 -1.584 6.311 1.00 0.00 C ATOM 2010 NE ARG B 113 11.860 -1.938 4.910 1.00 0.00 N ATOM 2011 CZ ARG B 113 12.252 -2.993 4.190 1.00 0.00 C ATOM 2012 NH1 ARG B 113 12.877 -4.029 4.714 1.00 0.00 N ATOM 2013 NH2 ARG B 113 11.986 -3.022 2.906 1.00 0.00 N ATOM 0 H ARG B 113 10.865 0.694 10.369 1.00 0.00 H new ATOM 0 HA ARG B 113 9.010 -0.164 8.383 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.541 0.182 8.213 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.734 -1.312 9.107 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.595 -2.594 7.381 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.076 -1.138 6.555 1.00 0.00 H new ATOM 0 HD2 ARG B 113 12.652 -0.606 6.350 1.00 0.00 H new ATOM 0 HD3 ARG B 113 12.879 -2.302 6.728 1.00 0.00 H new ATOM 0 HE ARG B 113 11.255 -1.279 4.420 1.00 0.00 H new ATOM 0 HH11 ARG B 113 13.082 -4.049 5.713 1.00 0.00 H new ATOM 0 HH12 ARG B 113 13.155 -4.810 4.120 1.00 0.00 H new ATOM 0 HH21 ARG B 113 11.487 -2.246 2.471 1.00 0.00 H new ATOM 0 HH22 ARG B 113 12.279 -3.820 2.342 1.00 0.00 H new ATOM 2027 N THR B 114 9.360 -2.156 10.939 1.00 0.00 N ATOM 2028 CA THR B 114 8.659 -3.213 11.670 1.00 0.00 C ATOM 2029 C THR B 114 7.220 -2.850 12.073 1.00 0.00 C ATOM 2030 O THR B 114 6.342 -3.701 11.924 1.00 0.00 O ATOM 2031 CB THR B 114 9.550 -3.778 12.778 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.638 -4.402 12.111 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.847 -4.822 13.645 1.00 0.00 C ATOM 0 H THR B 114 10.075 -1.685 11.493 1.00 0.00 H new ATOM 0 HA THR B 114 8.482 -4.042 10.985 1.00 0.00 H new ATOM 0 HB THR B 114 9.846 -2.972 13.449 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.327 -3.734 11.912 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.534 -5.182 14.411 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.976 -4.372 14.122 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.529 -5.658 13.022 1.00 0.00 H new ATOM 2041 N TYR B 115 6.938 -1.597 12.446 1.00 0.00 N ATOM 2042 CA TYR B 115 5.559 -1.080 12.407 1.00 0.00 C ATOM 2043 C TYR B 115 4.910 -1.375 11.045 1.00 0.00 C ATOM 2044 O TYR B 115 3.959 -2.150 10.976 1.00 0.00 O ATOM 2045 CB TYR B 115 5.508 0.419 12.780 1.00 0.00 C ATOM 2046 CG TYR B 115 4.489 1.271 12.027 1.00 0.00 C ATOM 2047 CD1 TYR B 115 3.113 0.987 12.127 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.917 2.303 11.166 1.00 0.00 C ATOM 2049 CE1 TYR B 115 2.187 1.692 11.337 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.986 2.997 10.371 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.622 2.687 10.448 1.00 0.00 C ATOM 2052 OH TYR B 115 1.719 3.353 9.683 1.00 0.00 O ATOM 0 H TYR B 115 7.633 -0.927 12.775 1.00 0.00 H new ATOM 0 HA TYR B 115 4.971 -1.602 13.162 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.299 0.499 13.847 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.498 0.846 12.617 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.768 0.226 12.812 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.964 2.562 11.117 1.00 0.00 H new ATOM 0 HE1 TYR B 115 1.134 1.466 11.415 1.00 0.00 H new ATOM 0 HE2 TYR B 115 4.324 3.772 9.699 1.00 0.00 H new ATOM 0 HH TYR B 115 1.975 3.283 8.740 1.00 0.00 H new ATOM 2062 N TRP B 116 5.459 -0.834 9.955 1.00 0.00 N ATOM 2063 CA TRP B 116 4.929 -1.063 8.616 1.00 0.00 C ATOM 2064 C TRP B 116 4.707 -2.545 8.302 1.00 0.00 C ATOM 2065 O TRP B 116 3.635 -2.924 7.844 1.00 0.00 O ATOM 2066 CB TRP B 116 5.789 -0.370 7.553 1.00 0.00 C ATOM 2067 CG TRP B 116 5.405 1.052 7.295 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.205 2.135 7.401 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.095 1.566 6.924 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.488 3.278 7.109 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.172 2.986 6.826 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.845 0.966 6.668 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.059 3.772 6.503 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.716 1.750 6.394 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.821 3.144 6.297 1.00 0.00 C ATOM 0 H TRP B 116 6.279 -0.228 9.979 1.00 0.00 H new ATOM 0 HA TRP B 116 3.939 -0.607 8.591 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.833 -0.403 7.866 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.718 -0.930 6.621 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.250 2.110 7.674 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.882 4.219 7.104 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.756 -0.110 6.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.152 4.844 6.414 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.756 1.275 6.256 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.948 3.736 6.063 1.00 0.00 H new ATOM 2086 N LYS B 117 5.674 -3.415 8.586 1.00 0.00 N ATOM 2087 CA LYS B 117 5.479 -4.862 8.481 1.00 0.00 C ATOM 2088 C LYS B 117 4.186 -5.350 9.170 1.00 0.00 C ATOM 2089 O LYS B 117 3.353 -5.986 8.521 1.00 0.00 O ATOM 2090 CB LYS B 117 6.739 -5.562 9.010 1.00 0.00 C ATOM 2091 CG LYS B 117 6.620 -7.084 9.122 1.00 0.00 C ATOM 2092 CD LYS B 117 7.983 -7.776 9.306 1.00 0.00 C ATOM 2093 CE LYS B 117 8.858 -7.261 10.464 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.693 -6.094 10.087 1.00 0.00 N ATOM 0 H LYS B 117 6.608 -3.142 8.893 1.00 0.00 H new ATOM 0 HA LYS B 117 5.337 -5.125 7.433 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.575 -5.323 8.353 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.980 -5.156 9.992 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.975 -7.333 9.964 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.138 -7.473 8.225 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.808 -8.841 9.457 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.547 -7.673 8.379 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.217 -6.986 11.302 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.505 -8.067 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.195 -5.740 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.385 -6.381 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.086 -5.342 9.704 1.00 0.00 H new ATOM 2108 N LEU B 118 3.981 -5.052 10.456 1.00 0.00 N ATOM 2109 CA LEU B 118 2.748 -5.448 11.148 1.00 0.00 C ATOM 2110 C LEU B 118 1.501 -4.777 10.540 1.00 0.00 C ATOM 2111 O LEU B 118 0.462 -5.405 10.327 1.00 0.00 O ATOM 2112 CB LEU B 118 2.871 -5.150 12.647 1.00 0.00 C ATOM 2113 CG LEU B 118 3.967 -5.978 13.343 1.00 0.00 C ATOM 2114 CD1 LEU B 118 4.125 -5.472 14.780 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.644 -7.476 13.370 1.00 0.00 C ATOM 0 H LEU B 118 4.646 -4.542 11.037 1.00 0.00 H new ATOM 0 HA LEU B 118 2.616 -6.522 11.015 1.00 0.00 H new ATOM 0 HB2 LEU B 118 3.084 -4.090 12.784 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.914 -5.348 13.130 1.00 0.00 H new ATOM 0 HG LEU B 118 4.890 -5.855 12.776 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.899 -6.050 15.286 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.408 -4.420 14.766 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.180 -5.586 15.312 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.449 -8.013 13.872 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.710 -7.637 13.908 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.543 -7.845 12.349 1.00 0.00 H new ATOM 2127 N GLU B 119 1.602 -3.499 10.190 1.00 0.00 N ATOM 2128 CA GLU B 119 0.550 -2.754 9.511 1.00 0.00 C ATOM 2129 C GLU B 119 0.166 -3.389 8.156 1.00 0.00 C ATOM 2130 O GLU B 119 -1.004 -3.483 7.790 1.00 0.00 O ATOM 2131 CB GLU B 119 1.023 -1.298 9.396 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.141 -0.317 9.213 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.136 -0.356 10.356 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -0.736 -0.239 11.533 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.324 -0.602 10.078 1.00 0.00 O ATOM 0 H GLU B 119 2.436 -2.941 10.375 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.375 -2.785 10.086 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.583 -1.029 10.291 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.707 -1.207 8.552 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.255 0.694 9.118 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -0.658 -0.546 8.281 1.00 0.00 H new ATOM 2142 N ASN B 120 1.139 -3.953 7.436 1.00 0.00 N ATOM 2143 CA ASN B 120 0.946 -4.744 6.218 1.00 0.00 C ATOM 2144 C ASN B 120 0.350 -6.146 6.490 1.00 0.00 C ATOM 2145 O ASN B 120 -0.036 -6.853 5.553 1.00 0.00 O ATOM 2146 CB ASN B 120 2.279 -4.905 5.471 1.00 0.00 C ATOM 2147 CG ASN B 120 3.061 -3.637 5.158 1.00 0.00 C ATOM 2148 OD1 ASN B 120 4.268 -3.694 4.971 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.417 -2.487 5.072 1.00 0.00 N ATOM 0 H ASN B 120 2.122 -3.868 7.696 1.00 0.00 H new ATOM 0 HA ASN B 120 0.228 -4.194 5.609 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.920 -5.559 6.062 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.079 -5.419 4.531 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.927 -1.633 4.847 1.00 0.00 H new ATOM 0 HD22 ASN B 120 1.410 -2.453 5.230 1.00 0.00 H new ATOM 2156 N GLN B 121 0.298 -6.572 7.753 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.121 -7.905 8.198 1.00 0.00 C ATOM 2158 C GLN B 121 -1.614 -7.955 8.578 1.00 0.00 C ATOM 2159 O GLN B 121 -2.317 -8.885 8.202 1.00 0.00 O ATOM 2160 CB GLN B 121 0.795 -8.302 9.365 1.00 0.00 C ATOM 2161 CG GLN B 121 0.891 -9.802 9.653 1.00 0.00 C ATOM 2162 CD GLN B 121 2.037 -10.056 10.627 1.00 0.00 C ATOM 2163 OE1 GLN B 121 3.159 -10.312 10.222 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.796 -9.931 11.920 1.00 0.00 N ATOM 0 H GLN B 121 0.559 -5.968 8.533 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.021 -8.622 7.383 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.797 -7.925 9.161 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.443 -7.800 10.266 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.047 -10.164 10.075 1.00 0.00 H new ATOM 0 HG3 GLN B 121 1.057 -10.352 8.727 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.853 -9.717 12.245 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.553 -10.049 12.594 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.110 -6.945 9.303 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.483 -6.866 9.818 1.00 0.00 C ATOM 2175 C LYS B 122 -4.604 -7.279 8.824 1.00 0.00 C ATOM 2176 O LYS B 122 -4.541 -6.971 7.630 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.746 -5.421 10.260 1.00 0.00 C ATOM 2178 CG LYS B 122 -2.928 -4.881 11.442 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.405 -3.435 11.652 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.557 -2.614 12.629 1.00 0.00 C ATOM 2181 NZ LYS B 122 -2.929 -1.185 12.547 1.00 0.00 N ATOM 0 H LYS B 122 -1.548 -6.133 9.556 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.532 -7.588 10.633 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.570 -4.770 9.404 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.802 -5.334 10.514 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.091 -5.481 12.337 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.860 -4.914 11.226 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.416 -2.927 10.687 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.433 -3.455 12.014 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.704 -2.978 13.646 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.499 -2.736 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.077 -0.598 12.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.368 -0.993 11.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.604 -0.958 13.305 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.674 -7.891 9.341 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.894 -8.264 8.610 1.00 0.00 C ATOM 2197 C LYS B 123 -7.665 -7.083 7.987 1.00 0.00 C ATOM 2198 O LYS B 123 -7.946 -6.110 8.691 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.830 -9.026 9.573 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.292 -8.210 10.800 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.728 -7.659 10.669 1.00 0.00 C ATOM 2202 CE LYS B 123 -9.920 -6.404 11.538 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.336 -5.215 10.881 1.00 0.00 N ATOM 0 H LYS B 123 -5.717 -8.153 10.326 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.570 -8.880 7.771 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.710 -9.355 9.020 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.319 -9.923 9.921 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.233 -8.839 11.688 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.605 -7.378 10.953 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.935 -7.418 9.626 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.444 -8.425 10.968 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -10.982 -6.240 11.718 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.451 -6.555 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.136 -4.487 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.452 -5.482 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.008 -4.839 10.182 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.089 -7.209 6.720 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.239 -6.487 6.144 1.00 0.00 C ATOM 2219 C LEU B 124 -10.410 -7.466 5.957 1.00 0.00 C ATOM 2220 O LEU B 124 -10.263 -8.487 5.285 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.888 -5.803 4.805 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.608 -4.451 4.578 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -9.503 -4.015 3.119 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -11.105 -4.426 4.872 1.00 0.00 C ATOM 0 H LEU B 124 -7.633 -7.829 6.051 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.523 -5.695 6.837 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.811 -5.640 4.764 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -9.140 -6.478 3.987 1.00 0.00 H new ATOM 0 HG LEU B 124 -9.096 -3.797 5.284 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.017 -3.063 2.986 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -8.453 -3.902 2.848 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -9.964 -4.768 2.480 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.498 -3.428 4.677 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -11.613 -5.148 4.233 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.275 -4.684 5.917 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.581 -7.183 6.516 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.776 -8.038 6.414 1.00 0.00 C ATOM 2238 C TYR B 125 -13.470 -8.022 5.025 1.00 0.00 C ATOM 2239 O TYR B 125 -14.664 -8.270 4.919 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.722 -7.671 7.577 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.820 -6.186 7.887 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.162 -5.274 6.871 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.416 -5.702 9.149 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.030 -3.895 7.097 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.322 -4.317 9.381 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.643 -3.417 8.355 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.563 -2.079 8.555 1.00 0.00 O ATOM 0 H TYR B 125 -11.738 -6.338 7.065 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.464 -9.078 6.504 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.719 -8.044 7.344 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.388 -8.192 8.474 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.525 -5.634 5.920 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.178 -6.397 9.940 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.228 -3.198 6.296 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.004 -3.949 10.345 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.345 -1.901 9.494 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.722 -7.745 3.949 1.00 0.00 N ATOM 2258 CA ARG B 126 -13.199 -7.542 2.573 1.00 0.00 C ATOM 2259 C ARG B 126 -14.161 -6.347 2.409 1.00 0.00 C ATOM 2260 O ARG B 126 -13.841 -5.405 1.696 1.00 0.00 O ATOM 2261 CB ARG B 126 -13.781 -8.825 1.949 1.00 0.00 C ATOM 2262 CG ARG B 126 -12.855 -10.052 1.919 1.00 0.00 C ATOM 2263 CD ARG B 126 -11.467 -9.785 1.313 1.00 0.00 C ATOM 2264 NE ARG B 126 -10.517 -9.403 2.374 1.00 0.00 N ATOM 2265 CZ ARG B 126 -9.185 -9.312 2.315 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.502 -9.292 1.189 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -8.507 -9.234 3.436 1.00 0.00 N ATOM 0 H ARG B 126 -11.709 -7.651 4.019 1.00 0.00 H new ATOM 0 HA ARG B 126 -12.302 -7.282 2.011 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.684 -9.092 2.497 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -14.084 -8.600 0.926 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -12.729 -10.422 2.937 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -13.340 -10.845 1.350 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -11.109 -10.676 0.797 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -11.533 -8.991 0.569 1.00 0.00 H new ATOM 0 HE ARG B 126 -10.934 -9.177 3.277 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.990 -9.348 0.295 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -7.485 -9.221 1.211 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.997 -9.244 4.330 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -7.490 -9.164 3.413 1.00 0.00 H new