USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 697 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 ASN : amide:sc= -8.16! C(o=-9.5!,f=-8.1!) USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= -1.3 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 SER OG : rot -123:sc= 2.08 USER MOD Set 3.2: A 28 TYR OH : rot -171:sc= 1.4 USER MOD Set 3.3: A 81 ASN : amide:sc= -2.39! C(o=4.6!,f=-2.9!) USER MOD Set 3.4: A 83 TYR OH : rot 5:sc= 1.64 USER MOD Set 3.5: A 89 TYR OH : rot -179:sc= 0.312 USER MOD Set 3.6: A 92 THR OG1 : rot -46:sc= 1.61 USER MOD Set 4.1: A 20 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.94) USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 75 ASN : amide:sc= -2.25 K(o=-3.4,f=-1.1) USER MOD Set 5.2: A 77 ASN : amide:sc= -1.2 X(o=-3.4,f=-3.7!) USER MOD Set 6.1: A 29 ASN : amide:sc= -16.3! C(o=-21!,f=-22!) USER MOD Set 6.2: A 72 ASN : amide:sc= -4.4! C(o=-21!,f=-22!) USER MOD Set 7.1: A 9 ASN : amide:sc= 0.516 K(o=1.3,f=-6.7!) USER MOD Set 7.2: A 66 TYR OH : rot -114:sc= 0.827 USER MOD Single : A 10 MET CE :methyl -110:sc= -0.975 (180deg=-5.29!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.29 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 1 K(o=1,f=-0.6) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.018) USER MOD Single : A 38 ASN : amide:sc= 0.886 K(o=0.89,f=-4!) USER MOD Single : A 50 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.0022) USER MOD Single : A 54 THR OG1 : rot 84:sc= 0.0813 USER MOD Single : A 55 SER OG : rot -76:sc= -0.476! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.354 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 48:sc= -0.123 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -145:sc= -4.35! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -9.339 6.518 -0.563 1.00 0.30 N ATOM 107 CA VAL A 8 -7.961 6.334 -0.091 1.00 0.24 C ATOM 108 C VAL A 8 -7.902 6.205 1.435 1.00 0.19 C ATOM 109 O VAL A 8 -8.086 7.179 2.164 1.00 0.28 O ATOM 110 CB VAL A 8 -7.031 7.486 -0.531 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.623 7.286 0.006 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.010 7.620 -2.047 1.00 0.45 C ATOM 0 HA VAL A 8 -7.611 5.409 -0.549 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.427 8.411 -0.112 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.989 8.111 -0.319 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.650 7.256 1.095 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.219 6.347 -0.373 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.348 8.438 -2.331 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.650 6.691 -2.489 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.017 7.827 -2.408 1.00 0.45 H new ATOM 122 N ASN A 9 -7.653 4.994 1.908 1.00 0.15 N ATOM 123 CA ASN A 9 -7.538 4.727 3.331 1.00 0.22 C ATOM 124 C ASN A 9 -6.846 3.385 3.556 1.00 0.16 C ATOM 125 O ASN A 9 -6.294 2.818 2.621 1.00 0.15 O ATOM 126 CB ASN A 9 -8.918 4.753 3.990 1.00 0.41 C ATOM 127 CG ASN A 9 -9.932 3.860 3.315 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.118 2.709 3.699 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.597 4.380 2.305 1.00 0.96 N ATOM 0 H ASN A 9 -7.525 4.172 1.318 1.00 0.15 H new ATOM 0 HA ASN A 9 -6.931 5.506 3.792 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.818 4.451 5.033 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.292 5.777 3.989 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.295 3.822 1.813 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -10.415 5.341 2.015 1.00 0.96 H new ATOM 136 N MET A 10 -6.856 2.886 4.785 1.00 0.15 N ATOM 137 CA MET A 10 -6.185 1.624 5.094 1.00 0.12 C ATOM 138 C MET A 10 -7.189 0.478 5.159 1.00 0.08 C ATOM 139 O MET A 10 -6.832 -0.693 5.230 1.00 0.09 O ATOM 140 CB MET A 10 -5.403 1.759 6.386 1.00 0.18 C ATOM 141 CG MET A 10 -4.445 2.936 6.358 1.00 0.39 C ATOM 142 SD MET A 10 -3.130 2.745 5.160 1.00 0.89 S ATOM 143 CE MET A 10 -2.366 4.349 5.258 1.00 0.24 C ATOM 0 H MET A 10 -7.316 3.329 5.580 1.00 0.15 H new ATOM 0 HA MET A 10 -5.482 1.389 4.295 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.097 1.878 7.218 1.00 0.18 H new ATOM 0 HB3 MET A 10 -4.843 0.842 6.567 1.00 0.18 H new ATOM 0 HG2 MET A 10 -5.003 3.845 6.134 1.00 0.39 H new ATOM 0 HG3 MET A 10 -4.009 3.065 7.349 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.562 4.902 4.339 1.00 0.24 H new ATOM 0 HE2 MET A 10 -2.777 4.897 6.106 1.00 0.24 H new ATOM 0 HE3 MET A 10 -1.290 4.232 5.388 1.00 0.24 H new ATOM 153 N GLY A 11 -8.441 0.891 5.114 1.00 0.10 N ATOM 154 CA GLY A 11 -9.641 0.048 5.036 1.00 0.10 C ATOM 155 C GLY A 11 -9.884 -0.909 6.190 1.00 0.08 C ATOM 156 O GLY A 11 -11.032 -1.097 6.595 1.00 0.10 O ATOM 0 H GLY A 11 -8.673 1.884 5.131 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.509 0.701 4.948 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.587 -0.536 4.117 1.00 0.10 H new ATOM 160 N LEU A 12 -8.844 -1.488 6.742 1.00 0.07 N ATOM 161 CA LEU A 12 -8.945 -2.227 7.974 1.00 0.07 C ATOM 162 C LEU A 12 -7.981 -1.664 8.987 1.00 0.08 C ATOM 163 O LEU A 12 -7.152 -0.806 8.674 1.00 0.09 O ATOM 164 CB LEU A 12 -8.706 -3.714 7.751 1.00 0.08 C ATOM 165 CG LEU A 12 -9.626 -4.394 6.732 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.306 -5.868 6.647 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.097 -4.211 7.066 1.00 0.11 C ATOM 0 H LEU A 12 -7.904 -1.459 6.348 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.959 -2.122 8.360 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.674 -3.852 7.429 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.813 -4.227 8.707 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.445 -3.916 5.769 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.965 -6.342 5.920 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.270 -5.998 6.336 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.452 -6.329 7.624 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.706 -4.712 6.313 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.304 -4.642 8.046 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.338 -3.148 7.079 1.00 0.11 H new ATOM 179 N SER A 13 -8.090 -2.154 10.191 1.00 0.10 N ATOM 180 CA SER A 13 -7.210 -1.755 11.257 1.00 0.12 C ATOM 181 C SER A 13 -6.066 -2.751 11.397 1.00 0.13 C ATOM 182 O SER A 13 -6.285 -3.933 11.665 1.00 0.16 O ATOM 183 CB SER A 13 -8.024 -1.644 12.539 1.00 0.15 C ATOM 184 OG SER A 13 -7.208 -1.714 13.695 1.00 1.20 O ATOM 0 H SER A 13 -8.792 -2.842 10.462 1.00 0.10 H new ATOM 0 HA SER A 13 -6.763 -0.785 11.039 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.573 -0.702 12.539 1.00 0.15 H new ATOM 0 HB3 SER A 13 -8.764 -2.444 12.569 1.00 0.15 H new ATOM 0 HG SER A 13 -7.768 -1.637 14.496 1.00 1.20 H new ATOM 190 N SER A 14 -4.844 -2.272 11.203 1.00 0.13 N ATOM 191 CA SER A 14 -3.660 -3.106 11.340 1.00 0.14 C ATOM 192 C SER A 14 -3.241 -3.194 12.809 1.00 0.17 C ATOM 193 O SER A 14 -2.089 -3.486 13.133 1.00 0.19 O ATOM 194 CB SER A 14 -2.519 -2.550 10.482 1.00 0.16 C ATOM 195 OG SER A 14 -2.289 -1.176 10.762 1.00 0.20 O ATOM 0 H SER A 14 -4.648 -1.304 10.949 1.00 0.13 H new ATOM 0 HA SER A 14 -3.894 -4.111 10.990 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.609 -3.119 10.669 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.761 -2.673 9.426 1.00 0.16 H new ATOM 0 HG SER A 14 -1.555 -0.847 10.202 1.00 0.20 H new ATOM 201 N ALA A 15 -4.191 -2.927 13.689 1.00 0.21 N ATOM 202 CA ALA A 15 -3.969 -3.020 15.115 1.00 0.26 C ATOM 203 C ALA A 15 -4.223 -4.441 15.604 1.00 0.28 C ATOM 204 O ALA A 15 -5.362 -4.913 15.606 1.00 0.35 O ATOM 205 CB ALA A 15 -4.867 -2.031 15.832 1.00 0.32 C ATOM 0 H ALA A 15 -5.135 -2.640 13.432 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.930 -2.774 15.334 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.700 -2.101 16.907 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.638 -1.020 15.494 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.910 -2.260 15.611 1.00 0.32 H new ATOM 211 N GLY A 16 -3.157 -5.129 15.991 1.00 0.27 N ATOM 212 CA GLY A 16 -3.286 -6.485 16.496 1.00 0.31 C ATOM 213 C GLY A 16 -3.188 -7.519 15.395 1.00 0.26 C ATOM 214 O GLY A 16 -3.121 -8.720 15.659 1.00 0.31 O ATOM 0 H GLY A 16 -2.202 -4.772 15.965 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.508 -6.670 17.236 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.243 -6.591 17.007 1.00 0.31 H new ATOM 218 N VAL A 17 -3.187 -7.048 14.158 1.00 0.19 N ATOM 219 CA VAL A 17 -3.095 -7.907 12.999 1.00 0.15 C ATOM 220 C VAL A 17 -1.713 -8.493 12.858 1.00 0.15 C ATOM 221 O VAL A 17 -0.717 -7.892 13.261 1.00 0.18 O ATOM 222 CB VAL A 17 -3.455 -7.133 11.717 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.408 -6.086 11.409 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.609 -8.071 10.549 1.00 0.11 C ATOM 0 H VAL A 17 -3.250 -6.055 13.934 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.806 -8.720 13.142 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.408 -6.632 11.887 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.684 -5.552 10.499 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.343 -5.381 12.238 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.441 -6.569 11.267 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.863 -7.501 9.655 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.673 -8.604 10.385 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.403 -8.788 10.760 1.00 0.11 H new ATOM 234 N ALA A 18 -1.664 -9.679 12.298 1.00 0.14 N ATOM 235 CA ALA A 18 -0.407 -10.315 12.030 1.00 0.14 C ATOM 236 C ALA A 18 0.052 -9.966 10.628 1.00 0.13 C ATOM 237 O ALA A 18 0.030 -10.787 9.711 1.00 0.13 O ATOM 238 CB ALA A 18 -0.542 -11.811 12.218 1.00 0.16 C ATOM 0 H ALA A 18 -2.484 -10.219 12.021 1.00 0.14 H new ATOM 0 HA ALA A 18 0.348 -9.957 12.729 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.415 -12.291 12.014 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.843 -12.023 13.244 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.296 -12.197 11.532 1.00 0.16 H new ATOM 244 N VAL A 19 0.508 -8.741 10.493 1.00 0.12 N ATOM 245 CA VAL A 19 0.893 -8.201 9.200 1.00 0.11 C ATOM 246 C VAL A 19 2.340 -8.515 8.854 1.00 0.11 C ATOM 247 O VAL A 19 3.236 -8.415 9.694 1.00 0.12 O ATOM 248 CB VAL A 19 0.617 -6.679 9.123 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.886 -6.013 10.452 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.442 -6.023 8.037 1.00 0.11 C ATOM 0 H VAL A 19 0.624 -8.090 11.270 1.00 0.12 H new ATOM 0 HA VAL A 19 0.272 -8.695 8.452 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.437 -6.552 8.875 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.685 -4.945 10.371 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.239 -6.447 11.214 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.929 -6.166 10.731 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.224 -4.955 8.010 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.502 -6.172 8.245 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.195 -6.468 7.073 1.00 0.11 H new ATOM 260 N GLN A 20 2.549 -8.915 7.603 1.00 0.09 N ATOM 261 CA GLN A 20 3.870 -9.244 7.130 1.00 0.10 C ATOM 262 C GLN A 20 4.602 -7.986 6.697 1.00 0.10 C ATOM 263 O GLN A 20 4.431 -7.508 5.581 1.00 0.11 O ATOM 264 CB GLN A 20 3.767 -10.210 5.953 1.00 0.11 C ATOM 265 CG GLN A 20 2.902 -11.426 6.229 1.00 0.13 C ATOM 266 CD GLN A 20 2.936 -12.433 5.105 1.00 0.24 C ATOM 267 OE1 GLN A 20 3.916 -12.531 4.368 1.00 0.66 O ATOM 268 NE2 GLN A 20 1.865 -13.193 4.974 1.00 0.48 N ATOM 0 H GLN A 20 1.812 -9.016 6.905 1.00 0.09 H new ATOM 0 HA GLN A 20 4.428 -9.715 7.939 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.363 -9.677 5.092 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.768 -10.543 5.680 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.237 -11.904 7.150 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.873 -11.105 6.393 1.00 0.13 H new ATOM 0 HE21 GLN A 20 1.076 -13.076 5.609 1.00 0.48 H new ATOM 0 HE22 GLN A 20 1.827 -13.898 4.238 1.00 0.48 H new ATOM 277 N ARG A 21 5.476 -7.498 7.553 1.00 0.10 N ATOM 278 CA ARG A 21 6.234 -6.300 7.253 1.00 0.12 C ATOM 279 C ARG A 21 7.563 -6.650 6.606 1.00 0.14 C ATOM 280 O ARG A 21 8.049 -5.930 5.739 1.00 0.16 O ATOM 281 CB ARG A 21 6.461 -5.510 8.530 1.00 0.13 C ATOM 282 CG ARG A 21 5.203 -5.363 9.367 1.00 0.16 C ATOM 283 CD ARG A 21 4.934 -3.911 9.702 1.00 0.33 C ATOM 284 NE ARG A 21 3.800 -3.744 10.610 1.00 0.40 N ATOM 285 CZ ARG A 21 2.919 -2.744 10.536 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.962 -1.881 9.529 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.975 -2.625 11.461 1.00 0.62 N ATOM 0 H ARG A 21 5.679 -7.912 8.463 1.00 0.10 H new ATOM 0 HA ARG A 21 5.666 -5.692 6.549 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.231 -6.003 9.124 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.840 -4.520 8.276 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.353 -5.778 8.826 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.306 -5.938 10.287 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.825 -3.476 10.155 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.742 -3.359 8.782 1.00 0.33 H new ATOM 0 HE ARG A 21 3.674 -4.437 11.348 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.672 -1.979 8.803 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.285 -1.120 9.480 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.924 -3.297 12.227 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.301 -1.862 11.406 1.00 0.62 H new ATOM 301 N SER A 22 8.128 -7.779 7.012 1.00 0.18 N ATOM 302 CA SER A 22 9.393 -8.248 6.463 1.00 0.21 C ATOM 303 C SER A 22 9.214 -8.724 5.025 1.00 0.19 C ATOM 304 O SER A 22 10.182 -9.038 4.326 1.00 0.28 O ATOM 305 CB SER A 22 9.933 -9.382 7.318 1.00 0.28 C ATOM 306 OG SER A 22 10.016 -8.997 8.680 1.00 0.89 O ATOM 0 H SER A 22 7.727 -8.390 7.724 1.00 0.18 H new ATOM 0 HA SER A 22 10.102 -7.420 6.467 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.286 -10.254 7.222 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.919 -9.675 6.959 1.00 0.28 H new ATOM 0 HG SER A 22 10.364 -9.744 9.210 1.00 0.89 H new ATOM 312 N ALA A 23 7.966 -8.766 4.593 1.00 0.14 N ATOM 313 CA ALA A 23 7.626 -9.210 3.257 1.00 0.14 C ATOM 314 C ALA A 23 7.531 -8.025 2.306 1.00 0.13 C ATOM 315 O ALA A 23 7.229 -8.183 1.126 1.00 0.17 O ATOM 316 CB ALA A 23 6.313 -9.974 3.300 1.00 0.17 C ATOM 0 H ALA A 23 7.162 -8.493 5.159 1.00 0.14 H new ATOM 0 HA ALA A 23 8.410 -9.870 2.887 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.054 -10.310 2.296 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.416 -10.838 3.956 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.525 -9.323 3.679 1.00 0.17 H new ATOM 322 N SER A 24 7.809 -6.840 2.831 1.00 0.14 N ATOM 323 CA SER A 24 7.672 -5.608 2.075 1.00 0.15 C ATOM 324 C SER A 24 8.767 -5.472 1.023 1.00 0.15 C ATOM 325 O SER A 24 9.909 -5.896 1.227 1.00 0.26 O ATOM 326 CB SER A 24 7.693 -4.412 3.028 1.00 0.17 C ATOM 327 OG SER A 24 7.626 -3.183 2.329 1.00 0.21 O ATOM 0 H SER A 24 8.134 -6.708 3.789 1.00 0.14 H new ATOM 0 HA SER A 24 6.717 -5.634 1.551 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.854 -4.483 3.720 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.603 -4.440 3.627 1.00 0.17 H new ATOM 0 HG SER A 24 8.397 -2.628 2.568 1.00 0.21 H new ATOM 333 N ARG A 25 8.394 -4.898 -0.111 1.00 0.12 N ATOM 334 CA ARG A 25 9.316 -4.659 -1.197 1.00 0.12 C ATOM 335 C ARG A 25 10.056 -3.347 -1.038 1.00 0.13 C ATOM 336 O ARG A 25 11.063 -3.111 -1.706 1.00 0.18 O ATOM 337 CB ARG A 25 8.562 -4.673 -2.515 1.00 0.17 C ATOM 338 CG ARG A 25 8.340 -6.070 -3.056 1.00 0.27 C ATOM 339 CD ARG A 25 9.663 -6.774 -3.283 1.00 0.41 C ATOM 340 NE ARG A 25 10.275 -7.221 -2.032 1.00 1.10 N ATOM 341 CZ ARG A 25 11.587 -7.338 -1.842 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.428 -7.166 -2.856 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 12.053 -7.657 -0.644 1.00 2.10 N ATOM 0 H ARG A 25 7.441 -4.587 -0.299 1.00 0.12 H new ATOM 0 HA ARG A 25 10.060 -5.455 -1.184 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.597 -4.184 -2.380 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.116 -4.089 -3.250 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.733 -6.644 -2.356 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.785 -6.019 -3.992 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.508 -7.633 -3.936 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.347 -6.100 -3.799 1.00 0.41 H new ATOM 0 HE ARG A 25 9.657 -7.458 -1.256 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.069 -6.943 -3.784 1.00 1.30 H new ATOM 0 HH12 ARG A 25 13.433 -7.257 -2.706 1.00 1.30 H new ATOM 0 HH21 ARG A 25 11.407 -7.812 0.130 1.00 2.10 H new ATOM 0 HH22 ARG A 25 13.058 -7.747 -0.495 1.00 2.10 H new ATOM 357 N VAL A 26 9.554 -2.496 -0.162 1.00 0.12 N ATOM 358 CA VAL A 26 10.149 -1.189 0.049 1.00 0.12 C ATOM 359 C VAL A 26 10.367 -0.958 1.541 1.00 0.13 C ATOM 360 O VAL A 26 9.646 -1.514 2.369 1.00 0.13 O ATOM 361 CB VAL A 26 9.265 -0.079 -0.558 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.917 1.281 -0.413 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.982 -0.371 -2.025 1.00 0.12 C ATOM 0 H VAL A 26 8.735 -2.687 0.415 1.00 0.12 H new ATOM 0 HA VAL A 26 11.114 -1.155 -0.456 1.00 0.12 H new ATOM 0 HB VAL A 26 8.323 -0.064 -0.011 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.271 2.043 -0.850 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.072 1.499 0.644 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.877 1.281 -0.928 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.358 0.420 -2.440 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.922 -0.417 -2.575 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.463 -1.326 -2.112 1.00 0.12 H new ATOM 373 N ALA A 27 11.377 -0.165 1.882 1.00 0.13 N ATOM 374 CA ALA A 27 11.769 0.010 3.274 1.00 0.13 C ATOM 375 C ALA A 27 10.720 0.738 4.098 1.00 0.12 C ATOM 376 O ALA A 27 10.219 1.786 3.727 1.00 0.11 O ATOM 377 CB ALA A 27 13.093 0.732 3.390 1.00 0.14 C ATOM 0 H ALA A 27 11.937 0.365 1.215 1.00 0.13 H new ATOM 0 HA ALA A 27 11.870 -0.997 3.679 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.355 0.845 4.442 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.867 0.156 2.884 1.00 0.14 H new ATOM 0 HB3 ALA A 27 13.013 1.716 2.928 1.00 0.14 H new ATOM 383 N TYR A 28 10.459 0.159 5.239 1.00 0.13 N ATOM 384 CA TYR A 28 9.536 0.635 6.245 1.00 0.13 C ATOM 385 C TYR A 28 10.008 1.890 6.963 1.00 0.13 C ATOM 386 O TYR A 28 9.945 1.945 8.188 1.00 0.16 O ATOM 387 CB TYR A 28 9.224 -0.470 7.234 1.00 0.15 C ATOM 388 CG TYR A 28 7.811 -0.976 7.098 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.760 -0.303 7.708 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.523 -2.107 6.351 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.461 -0.743 7.578 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.224 -2.557 6.218 1.00 0.14 C ATOM 393 CZ TYR A 28 5.198 -1.871 6.835 1.00 0.14 C ATOM 394 OH TYR A 28 3.903 -2.312 6.702 1.00 0.16 O ATOM 0 H TYR A 28 10.912 -0.713 5.512 1.00 0.13 H new ATOM 0 HA TYR A 28 8.625 0.921 5.719 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.919 -1.296 7.084 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.380 -0.102 8.248 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.965 0.581 8.294 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.325 -2.644 5.866 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.655 -0.206 8.056 1.00 0.14 H new ATOM 0 HE2 TYR A 28 6.012 -3.441 5.634 1.00 0.14 H new ATOM 0 HH TYR A 28 3.900 -3.192 6.271 1.00 0.16 H new ATOM 404 N ASN A 29 10.511 2.876 6.230 1.00 0.13 N ATOM 405 CA ASN A 29 11.369 3.903 6.821 1.00 0.15 C ATOM 406 C ASN A 29 10.567 4.792 7.770 1.00 0.15 C ATOM 407 O ASN A 29 9.927 5.758 7.383 1.00 0.14 O ATOM 408 CB ASN A 29 12.033 4.783 5.724 1.00 0.15 C ATOM 409 CG ASN A 29 11.085 5.394 4.695 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.521 5.867 3.650 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.798 5.401 4.971 1.00 0.12 N ATOM 0 H ASN A 29 10.342 2.989 5.230 1.00 0.13 H new ATOM 0 HA ASN A 29 12.153 3.392 7.380 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.577 5.591 6.214 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.770 4.177 5.196 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.137 5.806 4.309 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.462 5.001 5.847 1.00 0.12 H new ATOM 418 N GLN A 30 10.630 4.454 9.048 1.00 0.18 N ATOM 419 CA GLN A 30 9.780 5.085 10.039 1.00 0.19 C ATOM 420 C GLN A 30 10.041 6.586 10.107 1.00 0.21 C ATOM 421 O GLN A 30 9.229 7.345 10.616 1.00 0.24 O ATOM 422 CB GLN A 30 9.970 4.440 11.408 1.00 0.23 C ATOM 423 CG GLN A 30 8.882 4.820 12.386 1.00 0.26 C ATOM 424 CD GLN A 30 7.520 4.306 11.989 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.376 3.227 11.412 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.518 5.111 12.261 1.00 0.29 N ATOM 0 H GLN A 30 11.262 3.746 9.421 1.00 0.18 H new ATOM 0 HA GLN A 30 8.744 4.937 9.735 1.00 0.19 H new ATOM 0 HB2 GLN A 30 9.990 3.356 11.295 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.938 4.736 11.814 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.137 4.431 13.372 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.843 5.906 12.472 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.689 5.994 12.741 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.569 4.852 11.992 1.00 0.29 H new ATOM 435 N SER A 31 11.163 7.010 9.554 1.00 0.20 N ATOM 436 CA SER A 31 11.497 8.420 9.498 1.00 0.21 C ATOM 437 C SER A 31 10.667 9.119 8.423 1.00 0.21 C ATOM 438 O SER A 31 10.217 10.243 8.623 1.00 0.30 O ATOM 439 CB SER A 31 12.990 8.603 9.225 1.00 0.23 C ATOM 440 OG SER A 31 13.376 9.962 9.349 1.00 1.11 O ATOM 0 H SER A 31 11.860 6.394 9.136 1.00 0.20 H new ATOM 0 HA SER A 31 11.265 8.872 10.463 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.566 7.995 9.922 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.224 8.247 8.222 1.00 0.23 H new ATOM 0 HG SER A 31 14.336 10.047 9.170 1.00 1.11 H new ATOM 446 N ALA A 32 10.444 8.441 7.293 1.00 0.15 N ATOM 447 CA ALA A 32 9.597 8.990 6.238 1.00 0.14 C ATOM 448 C ALA A 32 8.154 8.725 6.598 1.00 0.14 C ATOM 449 O ALA A 32 7.259 9.497 6.265 1.00 0.15 O ATOM 450 CB ALA A 32 9.918 8.388 4.871 1.00 0.12 C ATOM 0 H ALA A 32 10.835 7.521 7.089 1.00 0.15 H new ATOM 0 HA ALA A 32 9.784 10.061 6.163 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.263 8.826 4.118 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.957 8.598 4.616 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.763 7.309 4.903 1.00 0.12 H new ATOM 456 N ILE A 33 7.956 7.629 7.313 1.00 0.14 N ATOM 457 CA ILE A 33 6.642 7.240 7.788 1.00 0.16 C ATOM 458 C ILE A 33 6.122 8.267 8.780 1.00 0.19 C ATOM 459 O ILE A 33 4.958 8.668 8.743 1.00 0.22 O ATOM 460 CB ILE A 33 6.690 5.867 8.470 1.00 0.16 C ATOM 461 CG1 ILE A 33 7.025 4.773 7.454 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.384 5.581 9.171 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.183 3.395 8.066 1.00 0.15 C ATOM 0 H ILE A 33 8.702 6.986 7.579 1.00 0.14 H new ATOM 0 HA ILE A 33 5.976 7.185 6.927 1.00 0.16 H new ATOM 0 HB ILE A 33 7.480 5.878 9.221 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.238 4.737 6.700 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.948 5.039 6.939 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.435 4.603 9.650 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.201 6.346 9.926 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.572 5.587 8.444 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.419 2.674 7.283 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.990 3.413 8.799 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.254 3.106 8.557 1.00 0.15 H new ATOM 475 N ASP A 34 7.013 8.699 9.659 1.00 0.20 N ATOM 476 CA ASP A 34 6.691 9.697 10.655 1.00 0.24 C ATOM 477 C ASP A 34 6.744 11.073 10.033 1.00 0.25 C ATOM 478 O ASP A 34 6.291 12.062 10.606 1.00 0.29 O ATOM 479 CB ASP A 34 7.659 9.613 11.820 1.00 0.26 C ATOM 480 CG ASP A 34 7.079 8.870 13.008 1.00 0.78 C ATOM 481 OD1 ASP A 34 7.258 7.638 13.106 1.00 1.54 O ATOM 482 OD2 ASP A 34 6.443 9.521 13.863 1.00 1.41 O1- ATOM 0 H ASP A 34 7.976 8.366 9.698 1.00 0.20 H new ATOM 0 HA ASP A 34 5.684 9.511 11.029 1.00 0.24 H new ATOM 0 HB2 ASP A 34 8.571 9.114 11.494 1.00 0.26 H new ATOM 0 HB3 ASP A 34 7.939 10.620 12.128 1.00 0.26 H new ATOM 487 N ASP A 35 7.296 11.109 8.837 1.00 0.22 N ATOM 488 CA ASP A 35 7.345 12.313 8.029 1.00 0.24 C ATOM 489 C ASP A 35 6.042 12.437 7.248 1.00 0.24 C ATOM 490 O ASP A 35 5.961 13.135 6.239 1.00 0.25 O ATOM 491 CB ASP A 35 8.550 12.302 7.095 1.00 0.23 C ATOM 492 CG ASP A 35 8.880 13.681 6.560 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.669 13.929 5.359 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.354 14.525 7.346 1.00 0.48 O1- ATOM 0 H ASP A 35 7.727 10.298 8.394 1.00 0.22 H new ATOM 0 HA ASP A 35 7.458 13.180 8.680 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.415 11.905 7.627 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.353 11.629 6.260 1.00 0.23 H new ATOM 499 N SER A 36 5.057 11.663 7.707 1.00 0.25 N ATOM 500 CA SER A 36 3.719 11.542 7.127 1.00 0.27 C ATOM 501 C SER A 36 3.123 12.853 6.603 1.00 0.30 C ATOM 502 O SER A 36 2.195 12.827 5.795 1.00 0.37 O ATOM 503 CB SER A 36 2.793 10.942 8.182 1.00 0.35 C ATOM 504 OG SER A 36 2.851 11.685 9.392 1.00 1.47 O ATOM 0 H SER A 36 5.177 11.076 8.532 1.00 0.25 H new ATOM 0 HA SER A 36 3.814 10.901 6.251 1.00 0.27 H new ATOM 0 HB2 SER A 36 1.769 10.929 7.808 1.00 0.35 H new ATOM 0 HB3 SER A 36 3.076 9.907 8.373 1.00 0.35 H new ATOM 0 HG SER A 36 2.248 11.283 10.052 1.00 1.47 H new ATOM 510 N ASN A 37 3.634 13.987 7.055 1.00 0.29 N ATOM 511 CA ASN A 37 3.152 15.268 6.564 1.00 0.31 C ATOM 512 C ASN A 37 3.508 15.473 5.091 1.00 0.30 C ATOM 513 O ASN A 37 3.010 16.399 4.451 1.00 0.34 O ATOM 514 CB ASN A 37 3.684 16.433 7.414 1.00 0.34 C ATOM 515 CG ASN A 37 5.133 16.826 7.129 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.490 17.999 7.243 1.00 0.97 O ATOM 517 ND2 ASN A 37 5.982 15.872 6.768 1.00 0.30 N ATOM 0 H ASN A 37 4.375 14.047 7.754 1.00 0.29 H new ATOM 0 HA ASN A 37 2.066 15.255 6.651 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.048 17.303 7.251 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.595 16.166 8.467 1.00 0.34 H new ATOM 0 HD21 ASN A 37 6.957 16.103 6.577 1.00 0.30 H new ATOM 0 HD22 ASN A 37 5.659 14.908 6.681 1.00 0.30 H new ATOM 524 N ASN A 38 4.374 14.611 4.558 1.00 0.26 N ATOM 525 CA ASN A 38 4.739 14.654 3.170 1.00 0.28 C ATOM 526 C ASN A 38 3.535 14.464 2.285 1.00 0.36 C ATOM 527 O ASN A 38 2.620 13.706 2.610 1.00 0.82 O ATOM 528 CB ASN A 38 5.725 13.541 2.874 1.00 0.21 C ATOM 529 CG ASN A 38 6.918 14.054 2.129 1.00 0.23 C ATOM 530 OD1 ASN A 38 6.915 14.161 0.905 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.948 14.362 2.872 1.00 0.25 N ATOM 0 H ASN A 38 4.833 13.870 5.088 1.00 0.26 H new ATOM 0 HA ASN A 38 5.181 15.630 2.968 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.047 13.080 3.808 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.234 12.764 2.288 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.803 14.710 2.439 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.897 14.254 3.885 1.00 0.25 H new ATOM 538 N SER A 39 3.542 15.136 1.154 1.00 0.29 N ATOM 539 CA SER A 39 2.561 14.862 0.136 1.00 0.31 C ATOM 540 C SER A 39 2.970 13.592 -0.589 1.00 0.21 C ATOM 541 O SER A 39 2.254 13.111 -1.462 1.00 0.21 O ATOM 542 CB SER A 39 2.441 16.013 -0.843 1.00 0.43 C ATOM 543 OG SER A 39 1.205 15.977 -1.542 1.00 1.39 O ATOM 0 H SER A 39 4.212 15.869 0.921 1.00 0.29 H new ATOM 0 HA SER A 39 1.584 14.735 0.603 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.529 16.958 -0.307 1.00 0.43 H new ATOM 0 HB3 SER A 39 3.264 15.973 -1.556 1.00 0.43 H new ATOM 0 HG SER A 39 1.159 16.733 -2.164 1.00 1.39 H new ATOM 549 N ALA A 40 4.132 13.035 -0.202 1.00 0.15 N ATOM 550 CA ALA A 40 4.565 11.756 -0.717 1.00 0.12 C ATOM 551 C ALA A 40 3.586 10.692 -0.281 1.00 0.11 C ATOM 552 O ALA A 40 3.544 9.610 -0.827 1.00 0.14 O ATOM 553 CB ALA A 40 5.965 11.428 -0.229 1.00 0.10 C ATOM 0 H ALA A 40 4.775 13.462 0.465 1.00 0.15 H new ATOM 0 HA ALA A 40 4.594 11.796 -1.806 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.272 10.461 -0.628 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.658 12.198 -0.569 1.00 0.10 H new ATOM 0 HB3 ALA A 40 5.971 11.389 0.860 1.00 0.10 H new ATOM 559 N TRP A 41 2.787 11.026 0.709 1.00 0.10 N ATOM 560 CA TRP A 41 1.817 10.105 1.244 1.00 0.10 C ATOM 561 C TRP A 41 0.433 10.341 0.650 1.00 0.12 C ATOM 562 O TRP A 41 -0.481 9.534 0.839 1.00 0.15 O ATOM 563 CB TRP A 41 1.779 10.247 2.749 1.00 0.10 C ATOM 564 CG TRP A 41 3.080 9.901 3.405 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.899 10.755 4.074 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.728 8.619 3.437 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.986 10.085 4.559 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.908 8.773 4.178 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.423 7.354 2.926 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.778 7.715 4.425 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.286 6.308 3.170 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.450 6.492 3.919 1.00 0.12 C ATOM 0 H TRP A 41 2.794 11.940 1.162 1.00 0.10 H new ATOM 0 HA TRP A 41 2.114 9.091 0.976 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.512 11.272 3.005 1.00 0.10 H new ATOM 0 HB3 TRP A 41 0.995 9.604 3.149 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.716 11.812 4.203 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.735 10.496 5.116 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.524 7.199 2.348 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.682 7.858 4.998 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.058 5.329 2.775 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.102 5.651 4.101 1.00 0.12 H new ATOM 583 N ASP A 42 0.273 11.445 -0.058 1.00 0.11 N ATOM 584 CA ASP A 42 -0.981 11.725 -0.734 1.00 0.14 C ATOM 585 C ASP A 42 -0.946 11.119 -2.124 1.00 0.15 C ATOM 586 O ASP A 42 -0.288 11.632 -3.029 1.00 0.21 O ATOM 587 CB ASP A 42 -1.251 13.223 -0.808 1.00 0.21 C ATOM 588 CG ASP A 42 -2.554 13.535 -1.520 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.627 13.150 -1.000 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.515 14.171 -2.594 1.00 0.41 O1- ATOM 0 H ASP A 42 0.992 12.159 -0.179 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.794 11.278 -0.162 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.282 13.635 0.201 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.428 13.714 -1.328 1.00 0.21 H new ATOM 595 N PHE A 43 -1.651 10.001 -2.255 1.00 0.11 N ATOM 596 CA PHE A 43 -1.689 9.235 -3.492 1.00 0.10 C ATOM 597 C PHE A 43 -2.124 10.111 -4.670 1.00 0.12 C ATOM 598 O PHE A 43 -1.356 10.363 -5.596 1.00 0.14 O ATOM 599 CB PHE A 43 -2.729 8.115 -3.396 1.00 0.09 C ATOM 600 CG PHE A 43 -2.485 7.027 -2.409 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.246 7.286 -1.077 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.513 5.718 -2.840 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.027 6.254 -0.194 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.297 4.688 -1.968 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.049 4.951 -0.645 1.00 0.06 C ATOM 0 H PHE A 43 -2.213 9.601 -1.504 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.684 8.841 -3.646 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.691 8.570 -3.162 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.823 7.659 -4.382 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.230 8.306 -0.724 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.708 5.504 -3.880 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.839 6.464 0.849 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.322 3.667 -2.321 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.871 4.138 0.043 1.00 0.06 H new ATOM 615 N ALA A 44 -3.366 10.594 -4.571 1.00 0.13 N ATOM 616 CA ALA A 44 -4.014 11.435 -5.583 1.00 0.16 C ATOM 617 C ALA A 44 -5.523 11.482 -5.324 1.00 0.18 C ATOM 618 O ALA A 44 -5.972 12.070 -4.343 1.00 0.24 O ATOM 619 CB ALA A 44 -3.756 10.937 -7.005 1.00 0.16 C ATOM 0 H ALA A 44 -3.963 10.407 -3.766 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.584 12.433 -5.501 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.257 11.593 -7.717 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.684 10.939 -7.202 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.143 9.924 -7.111 1.00 0.16 H new ATOM 625 N ASP A 45 -6.297 10.817 -6.189 1.00 0.17 N ATOM 626 CA ASP A 45 -7.755 10.740 -6.050 1.00 0.20 C ATOM 627 C ASP A 45 -8.273 9.388 -6.534 1.00 0.16 C ATOM 628 O ASP A 45 -8.225 9.091 -7.727 1.00 0.19 O ATOM 629 CB ASP A 45 -8.433 11.856 -6.840 1.00 0.26 C ATOM 630 CG ASP A 45 -8.355 13.204 -6.152 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.370 13.940 -6.375 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.291 13.542 -5.395 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.932 10.319 -7.001 1.00 0.17 H new ATOM 0 HA ASP A 45 -7.994 10.856 -4.993 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.970 11.930 -7.824 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.480 11.596 -6.999 1.00 0.26 H new ATOM 637 N GLY A 46 -8.758 8.568 -5.598 1.00 0.17 N ATOM 638 CA GLY A 46 -9.230 7.216 -5.921 1.00 0.16 C ATOM 639 C GLY A 46 -8.149 6.361 -6.549 1.00 0.12 C ATOM 640 O GLY A 46 -8.420 5.318 -7.127 1.00 0.16 O ATOM 0 H GLY A 46 -8.835 8.815 -4.611 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.589 6.733 -5.012 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.078 7.283 -6.603 1.00 0.16 H new ATOM 644 N VAL A 47 -6.922 6.809 -6.388 1.00 0.08 N ATOM 645 CA VAL A 47 -5.752 6.139 -6.911 1.00 0.06 C ATOM 646 C VAL A 47 -5.537 4.854 -6.150 1.00 0.05 C ATOM 647 O VAL A 47 -5.233 3.815 -6.718 1.00 0.06 O ATOM 648 CB VAL A 47 -4.537 7.069 -6.776 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.724 7.965 -5.582 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.241 6.283 -6.690 1.00 0.09 C ATOM 0 H VAL A 47 -6.706 7.667 -5.879 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.890 5.899 -7.965 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.465 7.688 -7.670 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.863 8.626 -5.485 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.626 8.562 -5.713 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.819 7.357 -4.682 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.403 6.973 -6.595 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.271 5.626 -5.820 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.118 5.684 -7.593 1.00 0.09 H new ATOM 660 N LEU A 48 -5.755 4.933 -4.857 1.00 0.06 N ATOM 661 CA LEU A 48 -5.663 3.785 -4.001 1.00 0.06 C ATOM 662 C LEU A 48 -6.812 2.856 -4.266 1.00 0.08 C ATOM 663 O LEU A 48 -6.647 1.653 -4.385 1.00 0.09 O ATOM 664 CB LEU A 48 -5.689 4.261 -2.575 1.00 0.08 C ATOM 665 CG LEU A 48 -5.666 3.169 -1.521 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.630 2.114 -1.874 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.400 3.772 -0.156 1.00 0.10 C ATOM 0 H LEU A 48 -6.001 5.797 -4.375 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.738 3.241 -4.193 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.833 4.916 -2.413 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.585 4.865 -2.428 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.639 2.680 -1.491 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.626 1.338 -1.109 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.876 1.671 -2.839 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.644 2.576 -1.928 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.385 2.982 0.594 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.437 4.282 -0.165 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.187 4.487 0.086 1.00 0.10 H new ATOM 679 N GLU A 49 -7.962 3.456 -4.419 1.00 0.09 N ATOM 680 CA GLU A 49 -9.196 2.743 -4.668 1.00 0.12 C ATOM 681 C GLU A 49 -9.129 2.034 -5.997 1.00 0.12 C ATOM 682 O GLU A 49 -9.924 1.155 -6.292 1.00 0.15 O ATOM 683 CB GLU A 49 -10.325 3.742 -4.670 1.00 0.17 C ATOM 684 CG GLU A 49 -10.669 4.240 -3.290 1.00 0.30 C ATOM 685 CD GLU A 49 -12.146 4.114 -3.002 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.898 5.029 -3.381 1.00 1.32 O ATOM 687 OE2 GLU A 49 -12.562 3.088 -2.423 1.00 1.49 O1- ATOM 0 H GLU A 49 -8.074 4.469 -4.374 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.358 1.995 -3.892 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.053 4.589 -5.299 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.208 3.284 -5.116 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -10.104 3.675 -2.548 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.367 5.283 -3.194 1.00 0.30 H new ATOM 694 N GLN A 50 -8.167 2.452 -6.785 1.00 0.10 N ATOM 695 CA GLN A 50 -7.872 1.854 -8.055 1.00 0.11 C ATOM 696 C GLN A 50 -7.102 0.594 -7.869 1.00 0.10 C ATOM 697 O GLN A 50 -7.482 -0.476 -8.327 1.00 0.12 O ATOM 698 CB GLN A 50 -7.015 2.800 -8.848 1.00 0.11 C ATOM 699 CG GLN A 50 -7.809 3.583 -9.858 1.00 0.14 C ATOM 700 CD GLN A 50 -7.958 2.826 -11.167 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.128 3.430 -12.227 1.00 0.37 O ATOM 702 NE2 GLN A 50 -7.848 1.495 -11.119 1.00 0.20 N ATOM 0 H GLN A 50 -7.557 3.235 -6.551 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.810 1.642 -8.568 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.515 3.490 -8.168 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.235 2.237 -9.360 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.796 3.805 -9.452 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.319 4.539 -10.044 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -7.708 1.027 -10.224 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -7.904 0.947 -11.978 1.00 0.20 H new ATOM 711 N ILE A 51 -6.002 0.766 -7.194 1.00 0.09 N ATOM 712 CA ILE A 51 -5.098 -0.303 -6.898 1.00 0.09 C ATOM 713 C ILE A 51 -5.817 -1.351 -6.089 1.00 0.11 C ATOM 714 O ILE A 51 -5.614 -2.540 -6.264 1.00 0.16 O ATOM 715 CB ILE A 51 -3.931 0.234 -6.086 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.408 1.507 -6.738 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.849 -0.822 -5.966 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.476 2.278 -5.854 1.00 0.06 C ATOM 0 H ILE A 51 -5.705 1.671 -6.828 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.731 -0.738 -7.828 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.261 0.478 -5.076 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.892 1.249 -7.663 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.251 2.142 -7.009 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -2.018 -0.426 -5.382 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.254 -1.703 -5.469 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.496 -1.096 -6.960 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.138 3.174 -6.375 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.995 2.564 -4.940 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.616 1.658 -5.603 1.00 0.06 H new ATOM 730 N LEU A 52 -6.678 -0.868 -5.219 1.00 0.09 N ATOM 731 CA LEU A 52 -7.491 -1.706 -4.366 1.00 0.10 C ATOM 732 C LEU A 52 -8.568 -2.402 -5.159 1.00 0.11 C ATOM 733 O LEU A 52 -8.822 -3.595 -4.977 1.00 0.13 O ATOM 734 CB LEU A 52 -8.117 -0.840 -3.298 1.00 0.10 C ATOM 735 CG LEU A 52 -7.141 -0.345 -2.260 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.797 0.719 -1.412 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.673 -1.512 -1.427 1.00 0.10 C ATOM 0 H LEU A 52 -6.834 0.131 -5.083 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.863 -2.473 -3.912 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.593 0.018 -3.773 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.904 -1.406 -2.801 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.271 0.103 -2.740 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.090 1.075 -0.663 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.104 1.551 -2.046 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.672 0.300 -0.915 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -5.967 -1.162 -0.674 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.529 -1.974 -0.935 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.185 -2.245 -2.069 1.00 0.10 H new ATOM 749 N ALA A 53 -9.181 -1.646 -6.052 1.00 0.12 N ATOM 750 CA ALA A 53 -10.182 -2.189 -6.959 1.00 0.14 C ATOM 751 C ALA A 53 -9.540 -3.294 -7.764 1.00 0.15 C ATOM 752 O ALA A 53 -10.128 -4.343 -8.031 1.00 0.18 O ATOM 753 CB ALA A 53 -10.712 -1.102 -7.880 1.00 0.16 C ATOM 0 H ALA A 53 -9.003 -0.649 -6.170 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.025 -2.582 -6.390 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.459 -1.526 -8.551 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.167 -0.310 -7.285 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.891 -0.689 -8.466 1.00 0.16 H new ATOM 759 N THR A 54 -8.296 -3.035 -8.105 1.00 0.15 N ATOM 760 CA THR A 54 -7.458 -3.968 -8.782 1.00 0.16 C ATOM 761 C THR A 54 -7.101 -5.142 -7.861 1.00 0.15 C ATOM 762 O THR A 54 -7.278 -6.289 -8.239 1.00 0.17 O ATOM 763 CB THR A 54 -6.205 -3.228 -9.275 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.522 -2.464 -10.445 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.049 -4.175 -9.568 1.00 0.24 C ATOM 0 H THR A 54 -7.839 -2.144 -7.909 1.00 0.15 H new ATOM 0 HA THR A 54 -7.981 -4.390 -9.640 1.00 0.16 H new ATOM 0 HB THR A 54 -5.882 -2.564 -8.474 1.00 0.18 H new ATOM 0 HG1 THR A 54 -6.905 -1.602 -10.179 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.188 -3.602 -9.913 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.784 -4.717 -8.660 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.346 -4.884 -10.341 1.00 0.24 H new ATOM 773 N SER A 55 -6.646 -4.842 -6.640 1.00 0.13 N ATOM 774 CA SER A 55 -6.273 -5.854 -5.654 1.00 0.13 C ATOM 775 C SER A 55 -7.353 -6.920 -5.504 1.00 0.11 C ATOM 776 O SER A 55 -7.074 -8.114 -5.572 1.00 0.13 O ATOM 777 CB SER A 55 -6.020 -5.187 -4.310 1.00 0.18 C ATOM 778 OG SER A 55 -5.007 -4.211 -4.412 1.00 0.90 O ATOM 0 H SER A 55 -6.527 -3.885 -6.309 1.00 0.13 H new ATOM 0 HA SER A 55 -5.365 -6.346 -6.004 1.00 0.13 H new ATOM 0 HB2 SER A 55 -6.940 -4.725 -3.950 1.00 0.18 H new ATOM 0 HB3 SER A 55 -5.732 -5.939 -3.575 1.00 0.18 H new ATOM 0 HG SER A 55 -4.132 -4.651 -4.457 1.00 0.90 H new ATOM 784 N ARG A 56 -8.587 -6.479 -5.311 1.00 0.10 N ATOM 785 CA ARG A 56 -9.715 -7.393 -5.170 1.00 0.10 C ATOM 786 C ARG A 56 -9.895 -8.214 -6.443 1.00 0.12 C ATOM 787 O ARG A 56 -10.130 -9.419 -6.392 1.00 0.17 O ATOM 788 CB ARG A 56 -10.983 -6.604 -4.881 1.00 0.11 C ATOM 789 CG ARG A 56 -10.856 -5.641 -3.729 1.00 0.14 C ATOM 790 CD ARG A 56 -11.795 -4.469 -3.925 1.00 0.17 C ATOM 791 NE ARG A 56 -13.163 -4.906 -4.192 1.00 1.28 N ATOM 792 CZ ARG A 56 -14.176 -4.082 -4.444 1.00 1.63 C ATOM 793 NH1 ARG A 56 -13.995 -2.767 -4.430 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.375 -4.579 -4.711 1.00 2.73 N ATOM 0 H ARG A 56 -8.835 -5.492 -5.248 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.516 -8.072 -4.341 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.265 -6.049 -5.776 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.793 -7.302 -4.670 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.087 -6.149 -2.793 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.828 -5.285 -3.654 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.782 -3.840 -3.035 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.442 -3.855 -4.754 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.354 -5.908 -4.185 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -13.073 -2.381 -4.225 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.778 -2.142 -4.624 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.517 -5.589 -4.722 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -16.155 -3.952 -4.905 1.00 2.73 H new ATOM 808 N SER A 57 -9.765 -7.542 -7.581 1.00 0.13 N ATOM 809 CA SER A 57 -9.855 -8.178 -8.887 1.00 0.17 C ATOM 810 C SER A 57 -8.767 -9.240 -9.053 1.00 0.18 C ATOM 811 O SER A 57 -9.006 -10.315 -9.599 1.00 0.22 O ATOM 812 CB SER A 57 -9.726 -7.110 -9.967 1.00 0.22 C ATOM 813 OG SER A 57 -9.899 -7.648 -11.268 1.00 0.55 O ATOM 0 H SER A 57 -9.594 -6.537 -7.622 1.00 0.13 H new ATOM 0 HA SER A 57 -10.820 -8.677 -8.977 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.467 -6.329 -9.796 1.00 0.22 H new ATOM 0 HB3 SER A 57 -8.745 -6.639 -9.896 1.00 0.22 H new ATOM 0 HG SER A 57 -9.811 -6.933 -11.932 1.00 0.55 H new ATOM 819 N ARG A 58 -7.575 -8.917 -8.568 1.00 0.18 N ATOM 820 CA ARG A 58 -6.429 -9.816 -8.620 1.00 0.21 C ATOM 821 C ARG A 58 -6.666 -11.035 -7.748 1.00 0.18 C ATOM 822 O ARG A 58 -6.170 -12.132 -8.016 1.00 0.22 O ATOM 823 CB ARG A 58 -5.214 -9.094 -8.079 1.00 0.24 C ATOM 824 CG ARG A 58 -4.929 -7.788 -8.736 1.00 0.27 C ATOM 825 CD ARG A 58 -3.909 -7.947 -9.833 1.00 0.37 C ATOM 826 NE ARG A 58 -2.638 -8.512 -9.373 1.00 1.25 N ATOM 827 CZ ARG A 58 -1.464 -8.290 -9.973 1.00 1.56 C ATOM 828 NH1 ARG A 58 -1.394 -7.497 -11.034 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -0.359 -8.856 -9.503 1.00 2.50 N ATOM 0 H ARG A 58 -7.375 -8.020 -8.125 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.280 -10.126 -9.654 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.352 -8.927 -7.011 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.343 -9.740 -8.190 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -5.850 -7.375 -9.148 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.564 -7.076 -7.996 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -4.322 -8.588 -10.612 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -3.722 -6.974 -10.288 1.00 0.37 H new ATOM 0 HE ARG A 58 -2.649 -9.110 -8.547 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.238 -7.053 -11.396 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -0.496 -7.331 -11.488 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -0.405 -9.461 -8.683 1.00 2.50 H new ATOM 0 HH22 ARG A 58 0.536 -8.686 -9.962 1.00 2.50 H new ATOM 843 N GLY A 59 -7.426 -10.810 -6.695 1.00 0.14 N ATOM 844 CA GLY A 59 -7.671 -11.841 -5.710 1.00 0.15 C ATOM 845 C GLY A 59 -6.821 -11.631 -4.479 1.00 0.18 C ATOM 846 O GLY A 59 -6.605 -12.549 -3.688 1.00 0.24 O ATOM 0 H GLY A 59 -7.885 -9.920 -6.500 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.725 -11.840 -5.432 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.456 -12.819 -6.141 1.00 0.15 H new ATOM 850 N TYR A 60 -6.337 -10.409 -4.324 1.00 0.16 N ATOM 851 CA TYR A 60 -5.536 -10.036 -3.177 1.00 0.17 C ATOM 852 C TYR A 60 -6.439 -9.866 -1.964 1.00 0.15 C ATOM 853 O TYR A 60 -6.175 -10.398 -0.884 1.00 0.18 O ATOM 854 CB TYR A 60 -4.806 -8.724 -3.463 1.00 0.16 C ATOM 855 CG TYR A 60 -3.575 -8.848 -4.338 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.525 -8.220 -5.566 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.458 -9.565 -3.929 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.414 -8.288 -6.364 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.334 -9.647 -4.726 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.314 -9.002 -5.943 1.00 0.28 C ATOM 861 OH TYR A 60 -0.194 -9.073 -6.736 1.00 0.35 O ATOM 0 H TYR A 60 -6.490 -9.652 -4.990 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.803 -10.817 -2.977 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.503 -8.035 -3.940 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.514 -8.275 -2.514 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.384 -7.661 -5.906 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.469 -10.066 -2.972 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.401 -7.784 -7.319 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.475 -10.214 -4.397 1.00 0.51 H new ATOM 0 HH TYR A 60 0.489 -9.615 -6.289 1.00 0.35 H new ATOM 871 N ILE A 61 -7.517 -9.120 -2.168 1.00 0.12 N ATOM 872 CA ILE A 61 -8.443 -8.783 -1.114 1.00 0.12 C ATOM 873 C ILE A 61 -9.873 -8.807 -1.597 1.00 0.11 C ATOM 874 O ILE A 61 -10.179 -9.229 -2.711 1.00 0.11 O ATOM 875 CB ILE A 61 -8.189 -7.364 -0.625 1.00 0.10 C ATOM 876 CG1 ILE A 61 -7.990 -6.462 -1.842 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.995 -7.321 0.317 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.117 -4.994 -1.542 1.00 0.11 C ATOM 0 H ILE A 61 -7.768 -8.733 -3.078 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.293 -9.521 -0.326 1.00 0.12 H new ATOM 0 HB ILE A 61 -9.045 -7.005 -0.054 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.004 -6.652 -2.265 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.721 -6.731 -2.604 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.833 -6.297 0.653 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.188 -7.959 1.179 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.107 -7.676 -0.205 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.963 -4.421 -2.456 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.112 -4.788 -1.148 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.368 -4.707 -0.804 1.00 0.11 H new ATOM 890 N THR A 62 -10.725 -8.324 -0.726 1.00 0.12 N ATOM 891 CA THR A 62 -12.118 -8.106 -1.009 1.00 0.12 C ATOM 892 C THR A 62 -12.529 -6.728 -0.491 1.00 0.13 C ATOM 893 O THR A 62 -12.029 -6.298 0.545 1.00 0.13 O ATOM 894 CB THR A 62 -12.968 -9.197 -0.341 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.116 -10.328 -1.210 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.321 -8.664 0.084 1.00 0.16 C ATOM 0 H THR A 62 -10.459 -8.066 0.224 1.00 0.12 H new ATOM 0 HA THR A 62 -12.280 -8.150 -2.086 1.00 0.12 H new ATOM 0 HB THR A 62 -12.444 -9.520 0.558 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.659 -11.013 -0.766 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.896 -9.463 0.553 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.184 -7.850 0.795 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.858 -8.296 -0.790 1.00 0.16 H new ATOM 904 N GLY A 63 -13.417 -6.054 -1.222 1.00 0.15 N ATOM 905 CA GLY A 63 -13.957 -4.764 -0.804 1.00 0.17 C ATOM 906 C GLY A 63 -12.920 -3.839 -0.200 1.00 0.17 C ATOM 907 O GLY A 63 -11.909 -3.523 -0.828 1.00 0.24 O ATOM 0 H GLY A 63 -13.780 -6.386 -2.116 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.412 -4.274 -1.665 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.751 -4.931 -0.076 1.00 0.17 H new ATOM 911 N ASP A 64 -13.177 -3.419 1.030 1.00 0.14 N ATOM 912 CA ASP A 64 -12.236 -2.609 1.783 1.00 0.14 C ATOM 913 C ASP A 64 -11.648 -3.419 2.930 1.00 0.11 C ATOM 914 O ASP A 64 -11.138 -2.872 3.903 1.00 0.13 O ATOM 915 CB ASP A 64 -12.908 -1.358 2.332 1.00 0.19 C ATOM 916 CG ASP A 64 -13.185 -0.316 1.266 1.00 1.30 C ATOM 917 OD1 ASP A 64 -12.231 0.317 0.773 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.370 -0.104 0.928 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.040 -3.630 1.531 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.437 -2.304 1.107 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.846 -1.637 2.811 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.274 -0.921 3.103 1.00 0.19 H new ATOM 923 N GLN A 65 -11.736 -4.733 2.795 1.00 0.10 N ATOM 924 CA GLN A 65 -11.189 -5.682 3.748 1.00 0.10 C ATOM 925 C GLN A 65 -9.682 -5.802 3.599 1.00 0.08 C ATOM 926 O GLN A 65 -9.127 -6.881 3.700 1.00 0.09 O ATOM 927 CB GLN A 65 -11.826 -7.049 3.582 1.00 0.11 C ATOM 928 CG GLN A 65 -13.292 -6.983 3.220 1.00 0.16 C ATOM 929 CD GLN A 65 -14.210 -6.975 4.408 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.593 -8.024 4.927 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.605 -5.790 4.817 1.00 0.34 N ATOM 0 H GLN A 65 -12.200 -5.177 2.003 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.415 -5.305 4.746 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.292 -7.600 2.808 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.712 -7.611 4.509 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.471 -6.085 2.629 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.539 -7.836 2.587 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.259 -4.949 4.354 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.257 -5.711 5.597 1.00 0.34 H new ATOM 940 N TYR A 66 -9.039 -4.717 3.274 1.00 0.07 N ATOM 941 CA TYR A 66 -7.609 -4.724 3.063 1.00 0.06 C ATOM 942 C TYR A 66 -6.921 -4.019 4.201 1.00 0.05 C ATOM 943 O TYR A 66 -7.556 -3.310 4.968 1.00 0.05 O ATOM 944 CB TYR A 66 -7.250 -4.014 1.774 1.00 0.07 C ATOM 945 CG TYR A 66 -7.609 -2.544 1.772 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.648 -1.575 2.027 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.903 -2.130 1.516 1.00 0.08 C ATOM 948 CE1 TYR A 66 -6.971 -0.233 2.024 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.238 -0.792 1.516 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.271 0.152 1.769 1.00 0.09 C ATOM 951 OH TYR A 66 -8.604 1.484 1.756 1.00 0.11 O ATOM 0 H TYR A 66 -9.481 -3.807 3.147 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.284 -5.763 3.007 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.179 -4.118 1.598 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.759 -4.505 0.945 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.631 -1.876 2.231 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.665 -2.868 1.312 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.212 0.510 2.220 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.255 -0.487 1.318 1.00 0.09 H new ATOM 0 HH TYR A 66 -9.211 1.677 2.501 1.00 0.11 H new ATOM 961 N ILE A 67 -5.627 -4.195 4.295 1.00 0.05 N ATOM 962 CA ILE A 67 -4.855 -3.478 5.270 1.00 0.05 C ATOM 963 C ILE A 67 -3.693 -2.800 4.598 1.00 0.05 C ATOM 964 O ILE A 67 -2.704 -3.414 4.263 1.00 0.06 O ATOM 965 CB ILE A 67 -4.321 -4.395 6.382 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.471 -4.982 7.181 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.350 -3.637 7.278 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.032 -5.997 8.197 1.00 0.07 C ATOM 0 H ILE A 67 -5.088 -4.830 3.706 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.518 -2.744 5.728 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.775 -5.221 5.926 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -6.000 -4.176 7.689 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.180 -5.447 6.496 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.982 -4.301 8.060 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.511 -3.277 6.683 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.862 -2.789 7.734 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.903 -6.376 8.732 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.528 -6.822 7.693 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.346 -5.531 8.904 1.00 0.07 H new ATOM 980 N LEU A 68 -3.820 -1.537 4.397 1.00 0.05 N ATOM 981 CA LEU A 68 -2.771 -0.788 3.764 1.00 0.06 C ATOM 982 C LEU A 68 -1.908 -0.150 4.850 1.00 0.07 C ATOM 983 O LEU A 68 -2.385 0.054 5.969 1.00 0.11 O ATOM 984 CB LEU A 68 -3.413 0.244 2.863 1.00 0.06 C ATOM 985 CG LEU A 68 -2.479 1.234 2.200 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.938 0.669 0.902 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.207 2.541 1.977 1.00 0.10 C ATOM 0 H LEU A 68 -4.640 -0.990 4.660 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.126 -1.421 3.155 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.965 -0.280 2.083 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.143 0.803 3.449 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.626 1.421 2.852 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.269 1.395 0.440 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.390 -0.251 1.106 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.765 0.456 0.225 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.535 3.255 1.500 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.072 2.371 1.335 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.539 2.940 2.935 1.00 0.10 H new ATOM 999 N GLU A 69 -0.644 0.118 4.554 1.00 0.07 N ATOM 1000 CA GLU A 69 0.255 0.722 5.532 1.00 0.08 C ATOM 1001 C GLU A 69 1.279 1.623 4.874 1.00 0.08 C ATOM 1002 O GLU A 69 1.729 1.361 3.759 1.00 0.09 O ATOM 1003 CB GLU A 69 0.971 -0.369 6.323 1.00 0.11 C ATOM 1004 CG GLU A 69 0.260 -0.753 7.605 1.00 0.17 C ATOM 1005 CD GLU A 69 0.406 0.309 8.676 1.00 0.42 C ATOM 1006 OE1 GLU A 69 1.280 0.153 9.552 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -0.332 1.312 8.639 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.217 -0.072 3.647 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.350 1.332 6.202 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.074 -1.254 5.695 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.979 -0.030 6.563 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.798 -0.916 7.398 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.662 -1.697 7.973 1.00 0.17 H new ATOM 1014 N ARG A 70 1.632 2.696 5.574 1.00 0.10 N ATOM 1015 CA ARG A 70 2.689 3.580 5.130 1.00 0.10 C ATOM 1016 C ARG A 70 4.030 2.923 5.342 1.00 0.09 C ATOM 1017 O ARG A 70 4.292 2.342 6.396 1.00 0.10 O ATOM 1018 CB ARG A 70 2.648 4.904 5.883 1.00 0.14 C ATOM 1019 CG ARG A 70 1.279 5.549 5.902 1.00 0.40 C ATOM 1020 CD ARG A 70 0.513 5.260 7.188 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.631 6.159 7.351 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.619 5.970 8.229 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.599 4.924 9.046 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.626 6.829 8.288 1.00 1.74 N ATOM 0 H ARG A 70 1.196 2.970 6.454 1.00 0.10 H new ATOM 0 HA ARG A 70 2.540 3.780 4.069 1.00 0.10 H new ATOM 0 HB2 ARG A 70 2.977 4.739 6.909 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.359 5.593 5.427 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.388 6.627 5.783 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.701 5.191 5.050 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.166 4.227 7.180 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.183 5.365 8.042 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.676 6.985 6.754 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.826 4.260 9.005 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.356 4.785 9.715 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.646 7.635 7.663 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.381 6.685 8.959 1.00 1.74 H new ATOM 1038 N VAL A 71 4.872 3.015 4.336 1.00 0.07 N ATOM 1039 CA VAL A 71 6.125 2.302 4.339 1.00 0.07 C ATOM 1040 C VAL A 71 7.303 3.216 4.071 1.00 0.07 C ATOM 1041 O VAL A 71 8.150 3.382 4.931 1.00 0.08 O ATOM 1042 CB VAL A 71 6.096 1.192 3.289 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.377 0.387 3.309 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.889 0.302 3.504 1.00 0.11 C ATOM 0 H VAL A 71 4.708 3.580 3.503 1.00 0.07 H new ATOM 0 HA VAL A 71 6.252 1.875 5.334 1.00 0.07 H new ATOM 0 HB VAL A 71 6.015 1.652 2.304 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.327 -0.395 2.551 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.222 1.043 3.099 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.506 -0.067 4.291 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.879 -0.485 2.750 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.940 -0.146 4.496 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.979 0.896 3.420 1.00 0.11 H new ATOM 1054 N ASN A 72 7.360 3.812 2.889 1.00 0.06 N ATOM 1055 CA ASN A 72 8.563 4.525 2.482 1.00 0.07 C ATOM 1056 C ASN A 72 8.247 5.739 1.638 1.00 0.07 C ATOM 1057 O ASN A 72 7.161 5.852 1.079 1.00 0.08 O ATOM 1058 CB ASN A 72 9.440 3.576 1.692 1.00 0.10 C ATOM 1059 CG ASN A 72 10.853 4.069 1.446 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.102 4.869 0.557 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.793 3.545 2.209 1.00 0.14 N ATOM 0 H ASN A 72 6.603 3.818 2.206 1.00 0.06 H new ATOM 0 HA ASN A 72 9.074 4.876 3.379 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.490 2.624 2.221 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.966 3.382 0.730 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.769 3.805 2.067 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.544 2.880 2.941 1.00 0.14 H new ATOM 1068 N ILE A 73 9.203 6.644 1.557 1.00 0.08 N ATOM 1069 CA ILE A 73 9.111 7.751 0.618 1.00 0.08 C ATOM 1070 C ILE A 73 10.312 7.737 -0.318 1.00 0.09 C ATOM 1071 O ILE A 73 11.446 7.980 0.098 1.00 0.11 O ATOM 1072 CB ILE A 73 9.010 9.135 1.299 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.697 9.288 2.065 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.114 10.234 0.255 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.584 10.603 2.810 1.00 0.10 C ATOM 0 H ILE A 73 10.050 6.637 2.126 1.00 0.08 H new ATOM 0 HA ILE A 73 8.185 7.604 0.063 1.00 0.08 H new ATOM 0 HB ILE A 73 9.833 9.217 2.009 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.865 9.202 1.366 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.602 8.467 2.776 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.042 11.206 0.742 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.071 10.156 -0.261 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.304 10.129 -0.466 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.628 10.645 3.331 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.396 10.682 3.533 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.647 11.429 2.102 1.00 0.10 H new ATOM 1087 N VAL A 74 10.055 7.427 -1.577 1.00 0.10 N ATOM 1088 CA VAL A 74 11.095 7.437 -2.601 1.00 0.13 C ATOM 1089 C VAL A 74 10.755 8.478 -3.646 1.00 0.15 C ATOM 1090 O VAL A 74 9.751 8.343 -4.338 1.00 0.15 O ATOM 1091 CB VAL A 74 11.264 6.063 -3.292 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.127 6.182 -4.541 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.868 5.052 -2.340 1.00 0.24 C ATOM 0 H VAL A 74 9.131 7.163 -1.920 1.00 0.10 H new ATOM 0 HA VAL A 74 12.037 7.673 -2.106 1.00 0.13 H new ATOM 0 HB VAL A 74 10.273 5.718 -3.587 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.230 5.202 -5.007 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.657 6.871 -5.243 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.113 6.559 -4.268 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.977 4.094 -2.848 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.846 5.402 -2.011 1.00 0.24 H new ATOM 0 HG23 VAL A 74 11.216 4.932 -1.475 1.00 0.24 H new ATOM 1103 N ASN A 75 11.564 9.532 -3.721 1.00 0.20 N ATOM 1104 CA ASN A 75 11.338 10.629 -4.662 1.00 0.25 C ATOM 1105 C ASN A 75 10.064 11.396 -4.284 1.00 0.20 C ATOM 1106 O ASN A 75 9.652 12.340 -4.954 1.00 0.25 O ATOM 1107 CB ASN A 75 11.239 10.032 -6.085 1.00 0.29 C ATOM 1108 CG ASN A 75 10.587 10.930 -7.118 1.00 0.33 C ATOM 1109 OD1 ASN A 75 11.265 11.628 -7.870 1.00 0.39 O ATOM 1110 ND2 ASN A 75 9.260 10.936 -7.140 1.00 0.31 N ATOM 0 H ASN A 75 12.391 9.651 -3.135 1.00 0.20 H new ATOM 0 HA ASN A 75 12.164 11.339 -4.628 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.243 9.781 -6.427 1.00 0.29 H new ATOM 0 HB3 ASN A 75 10.678 9.099 -6.032 1.00 0.29 H new ATOM 0 HD21 ASN A 75 8.764 11.536 -7.799 1.00 0.31 H new ATOM 0 HD22 ASN A 75 8.737 10.341 -6.498 1.00 0.31 H new ATOM 1117 N GLY A 76 9.517 11.073 -3.130 1.00 0.13 N ATOM 1118 CA GLY A 76 8.216 11.591 -2.776 1.00 0.10 C ATOM 1119 C GLY A 76 7.089 10.755 -3.361 1.00 0.09 C ATOM 1120 O GLY A 76 5.951 11.197 -3.422 1.00 0.11 O ATOM 0 H GLY A 76 9.946 10.464 -2.433 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.120 11.619 -1.691 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.127 12.618 -3.130 1.00 0.10 H new ATOM 1124 N ASN A 77 7.409 9.536 -3.780 1.00 0.09 N ATOM 1125 CA ASN A 77 6.426 8.629 -4.376 1.00 0.10 C ATOM 1126 C ASN A 77 5.827 7.706 -3.332 1.00 0.09 C ATOM 1127 O ASN A 77 5.568 6.545 -3.626 1.00 0.10 O ATOM 1128 CB ASN A 77 7.040 7.791 -5.497 1.00 0.14 C ATOM 1129 CG ASN A 77 7.159 8.542 -6.804 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.396 9.467 -7.073 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.104 8.137 -7.634 1.00 0.36 N ATOM 0 H ASN A 77 8.350 9.147 -3.718 1.00 0.09 H new ATOM 0 HA ASN A 77 5.638 9.254 -4.797 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.029 7.452 -5.189 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.431 6.900 -5.651 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.221 8.597 -8.537 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.717 7.365 -7.372 1.00 0.36 H new ATOM 1138 N GLY A 78 5.613 8.255 -2.132 1.00 0.07 N ATOM 1139 CA GLY A 78 5.254 7.482 -0.933 1.00 0.07 C ATOM 1140 C GLY A 78 4.660 6.115 -1.200 1.00 0.06 C ATOM 1141 O GLY A 78 3.577 5.984 -1.779 1.00 0.08 O ATOM 0 H GLY A 78 5.684 9.258 -1.961 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.146 7.359 -0.319 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.541 8.062 -0.347 1.00 0.07 H new ATOM 1145 N TYR A 79 5.375 5.104 -0.753 1.00 0.06 N ATOM 1146 CA TYR A 79 5.011 3.725 -1.006 1.00 0.05 C ATOM 1147 C TYR A 79 4.182 3.178 0.128 1.00 0.06 C ATOM 1148 O TYR A 79 4.467 3.410 1.308 1.00 0.06 O ATOM 1149 CB TYR A 79 6.252 2.855 -1.215 1.00 0.06 C ATOM 1150 CG TYR A 79 6.943 3.088 -2.541 1.00 0.07 C ATOM 1151 CD1 TYR A 79 7.018 2.084 -3.502 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.522 4.314 -2.833 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.645 2.293 -4.698 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.152 4.538 -4.036 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.215 3.524 -4.969 1.00 0.15 C ATOM 1156 OH TYR A 79 8.848 3.738 -6.172 1.00 0.19 O ATOM 0 H TYR A 79 6.227 5.215 -0.203 1.00 0.06 H new ATOM 0 HA TYR A 79 4.418 3.701 -1.920 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.959 3.047 -0.408 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.965 1.806 -1.144 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.572 1.122 -3.299 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.478 5.108 -2.102 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.695 1.500 -5.429 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.594 5.500 -4.248 1.00 0.15 H new ATOM 0 HH TYR A 79 9.192 4.655 -6.202 1.00 0.19 H new ATOM 1166 N TYR A 80 3.155 2.459 -0.250 1.00 0.07 N ATOM 1167 CA TYR A 80 2.228 1.876 0.682 1.00 0.07 C ATOM 1168 C TYR A 80 2.152 0.386 0.459 1.00 0.09 C ATOM 1169 O TYR A 80 2.111 -0.069 -0.677 1.00 0.13 O ATOM 1170 CB TYR A 80 0.850 2.488 0.485 1.00 0.07 C ATOM 1171 CG TYR A 80 0.695 3.874 1.051 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.192 4.991 0.387 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.027 4.063 2.248 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.023 6.257 0.911 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.143 5.323 2.773 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.352 6.414 2.105 1.00 0.11 C ATOM 1177 OH TYR A 80 0.169 7.664 2.635 1.00 0.16 O ATOM 0 H TYR A 80 2.938 2.261 -1.227 1.00 0.07 H new ATOM 0 HA TYR A 80 2.570 2.073 1.698 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.629 2.518 -0.582 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.108 1.836 0.946 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.716 4.866 -0.549 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.367 3.208 2.778 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.414 7.118 0.389 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.665 5.453 3.709 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.172 8.267 1.942 1.00 0.16 H new ATOM 1187 N ASN A 81 2.125 -0.375 1.526 1.00 0.10 N ATOM 1188 CA ASN A 81 1.962 -1.811 1.385 1.00 0.14 C ATOM 1189 C ASN A 81 0.513 -2.158 1.552 1.00 0.08 C ATOM 1190 O ASN A 81 -0.184 -1.584 2.383 1.00 0.11 O ATOM 1191 CB ASN A 81 2.772 -2.621 2.401 1.00 0.32 C ATOM 1192 CG ASN A 81 4.259 -2.549 2.183 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.721 -2.257 1.091 1.00 1.56 O ATOM 1194 ND2 ASN A 81 5.021 -2.835 3.222 1.00 0.33 N ATOM 0 H ASN A 81 2.211 -0.038 2.485 1.00 0.10 H new ATOM 0 HA ASN A 81 2.332 -2.071 0.393 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.543 -2.262 3.404 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.457 -3.663 2.356 1.00 0.32 H new ATOM 0 HD21 ASN A 81 6.037 -2.817 3.130 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.594 -3.074 4.117 1.00 0.33 H new ATOM 1201 N LEU A 82 0.067 -3.093 0.761 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.279 -3.578 0.857 1.00 0.06 C ATOM 1203 C LEU A 82 -1.239 -4.946 1.497 1.00 0.06 C ATOM 1204 O LEU A 82 -0.448 -5.806 1.112 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.898 -3.656 -0.531 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.360 -3.207 -0.645 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.165 -4.216 -1.447 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.987 -2.994 0.724 1.00 0.08 C ATOM 0 H LEU A 82 0.626 -3.539 0.033 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.887 -2.905 1.462 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.299 -3.048 -1.208 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.827 -4.686 -0.881 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.373 -2.251 -1.168 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.200 -3.882 -1.518 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.743 -4.305 -2.448 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.130 -5.186 -0.951 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -5.023 -2.676 0.604 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.956 -3.927 1.287 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.432 -2.226 1.263 1.00 0.08 H new ATOM 1220 N TYR A 83 -2.048 -5.108 2.504 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.091 -6.318 3.285 1.00 0.06 C ATOM 1222 C TYR A 83 -3.491 -6.879 3.300 1.00 0.06 C ATOM 1223 O TYR A 83 -4.461 -6.185 3.002 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.646 -6.014 4.718 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.197 -5.617 4.829 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.802 -6.548 4.638 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.170 -4.310 5.125 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.127 -6.197 4.737 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.499 -3.952 5.227 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.473 -4.902 5.032 1.00 0.16 C ATOM 1231 OH TYR A 83 3.803 -4.558 5.138 1.00 0.19 O ATOM 0 H TYR A 83 -2.708 -4.394 2.813 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.421 -7.053 2.840 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.265 -5.212 5.119 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.822 -6.893 5.338 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.539 -7.570 4.407 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.596 -3.564 5.277 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.896 -6.940 4.583 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.772 -2.933 5.458 1.00 0.15 H new ATOM 0 HH TYR A 83 4.360 -5.328 4.898 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.574 -8.146 3.613 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.839 -8.803 3.829 1.00 0.08 C ATOM 1243 C LYS A 84 -5.342 -8.467 5.220 1.00 0.08 C ATOM 1244 O LYS A 84 -4.573 -7.966 6.029 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.637 -10.305 3.681 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.334 -10.718 2.262 1.00 0.10 C ATOM 1247 CD LYS A 84 -4.145 -12.218 2.137 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.229 -12.658 0.692 1.00 0.17 C ATOM 1249 NZ LYS A 84 -4.272 -14.137 0.547 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.763 -8.755 3.726 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.577 -8.467 3.100 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.820 -10.623 4.329 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.534 -10.823 4.021 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.147 -10.399 1.610 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.433 -10.209 1.920 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.178 -12.502 2.551 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.906 -12.734 2.722 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -5.119 -12.226 0.235 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.370 -12.268 0.147 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -4.329 -14.385 -0.461 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -3.411 -14.551 0.957 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -5.106 -14.510 1.043 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.620 -8.733 5.528 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.162 -8.516 6.874 1.00 0.09 C ATOM 1265 C PRO A 85 -6.375 -9.265 7.936 1.00 0.10 C ATOM 1266 O PRO A 85 -6.443 -8.950 9.128 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.570 -9.079 6.817 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.925 -9.177 5.372 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.637 -9.225 4.587 1.00 0.10 C ATOM 0 HA PRO A 85 -7.120 -7.460 7.141 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.617 -10.057 7.296 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.269 -8.431 7.346 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.521 -10.070 5.184 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.527 -8.321 5.067 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.413 -10.238 4.252 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.691 -8.599 3.696 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.632 -10.261 7.490 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.823 -11.063 8.384 1.00 0.13 C ATOM 1279 C ASP A 86 -3.441 -10.451 8.518 1.00 0.11 C ATOM 1280 O ASP A 86 -2.644 -10.857 9.355 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.715 -12.489 7.871 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.916 -13.395 8.790 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.766 -13.740 8.444 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.436 -13.777 9.858 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.573 -10.533 6.509 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.301 -11.084 9.363 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -5.717 -12.900 7.746 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.249 -12.480 6.886 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.185 -9.441 7.698 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.905 -8.772 7.703 1.00 0.10 C ATOM 1291 C GLY A 87 -0.980 -9.313 6.630 1.00 0.10 C ATOM 1292 O GLY A 87 0.154 -8.871 6.500 1.00 0.11 O ATOM 0 H GLY A 87 -3.853 -9.071 7.022 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.053 -7.703 7.549 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.437 -8.891 8.680 1.00 0.10 H new ATOM 1296 N THR A 88 -1.469 -10.258 5.842 1.00 0.10 N ATOM 1297 CA THR A 88 -0.652 -10.871 4.811 1.00 0.10 C ATOM 1298 C THR A 88 -0.271 -9.869 3.725 1.00 0.08 C ATOM 1299 O THR A 88 -1.137 -9.256 3.102 1.00 0.09 O ATOM 1300 CB THR A 88 -1.385 -12.064 4.186 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.398 -13.164 5.102 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.742 -12.471 2.873 1.00 0.13 C ATOM 0 H THR A 88 -2.423 -10.615 5.897 1.00 0.10 H new ATOM 0 HA THR A 88 0.265 -11.220 5.285 1.00 0.10 H new ATOM 0 HB THR A 88 -2.412 -11.766 3.976 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.869 -13.922 4.697 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.281 -13.319 2.451 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.779 -11.634 2.175 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.296 -12.752 3.048 1.00 0.13 H new ATOM 1310 N TYR A 89 1.032 -9.688 3.539 1.00 0.08 N ATOM 1311 CA TYR A 89 1.555 -8.830 2.483 1.00 0.08 C ATOM 1312 C TYR A 89 1.056 -9.240 1.113 1.00 0.08 C ATOM 1313 O TYR A 89 1.142 -10.400 0.709 1.00 0.11 O ATOM 1314 CB TYR A 89 3.078 -8.857 2.511 1.00 0.09 C ATOM 1315 CG TYR A 89 3.736 -8.056 1.408 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.133 -8.674 0.230 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.960 -6.688 1.541 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.735 -7.961 -0.783 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.564 -5.968 0.526 1.00 0.15 C ATOM 1320 CZ TYR A 89 4.949 -6.612 -0.633 1.00 0.16 C ATOM 1321 OH TYR A 89 5.550 -5.904 -1.646 1.00 0.20 O ATOM 0 H TYR A 89 1.751 -10.129 4.112 1.00 0.08 H new ATOM 0 HA TYR A 89 1.196 -7.818 2.670 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.419 -8.476 3.474 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.413 -9.892 2.442 1.00 0.09 H new ATOM 0 HD1 TYR A 89 3.967 -9.734 0.106 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.659 -6.183 2.447 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.038 -8.460 -1.692 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.734 -4.907 0.640 1.00 0.15 H new ATOM 0 HH TYR A 89 5.643 -4.966 -1.379 1.00 0.20 H new ATOM 1331 N LEU A 90 0.525 -8.256 0.425 1.00 0.07 N ATOM 1332 CA LEU A 90 0.062 -8.405 -0.933 1.00 0.07 C ATOM 1333 C LEU A 90 1.048 -7.748 -1.898 1.00 0.06 C ATOM 1334 O LEU A 90 1.588 -8.405 -2.789 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.307 -7.758 -1.025 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.352 -8.376 -0.100 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.568 -7.482 -0.012 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.742 -9.761 -0.579 1.00 0.12 C ATOM 0 H LEU A 90 0.401 -7.316 0.800 1.00 0.07 H new ATOM 0 HA LEU A 90 -0.008 -9.458 -1.206 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.212 -6.698 -0.791 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.661 -7.827 -2.053 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.918 -8.472 0.895 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.305 -7.935 0.651 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.276 -6.508 0.381 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -4.001 -7.357 -1.005 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.488 -10.183 0.095 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.158 -9.695 -1.584 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.861 -10.403 -0.592 1.00 0.12 H new ATOM 1350 N PHE A 91 1.296 -6.450 -1.700 1.00 0.06 N ATOM 1351 CA PHE A 91 2.272 -5.718 -2.513 1.00 0.06 C ATOM 1352 C PHE A 91 2.611 -4.363 -1.924 1.00 0.05 C ATOM 1353 O PHE A 91 2.027 -3.931 -0.933 1.00 0.07 O ATOM 1354 CB PHE A 91 1.787 -5.497 -3.950 1.00 0.07 C ATOM 1355 CG PHE A 91 0.408 -4.922 -4.078 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.668 -5.745 -4.345 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.188 -3.554 -3.950 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.933 -5.225 -4.479 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.072 -3.034 -4.082 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.136 -3.867 -4.346 1.00 0.13 C ATOM 0 H PHE A 91 0.836 -5.886 -0.986 1.00 0.06 H new ATOM 0 HA PHE A 91 3.161 -6.349 -2.519 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.488 -4.833 -4.455 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.816 -6.451 -4.477 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.514 -6.809 -4.450 1.00 0.12 H new ATOM 0 HD2 PHE A 91 1.019 -2.896 -3.745 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.767 -5.879 -4.688 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.231 -1.971 -3.979 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.130 -3.457 -4.449 1.00 0.13 H new ATOM 1370 N THR A 92 3.568 -3.714 -2.566 1.00 0.05 N ATOM 1371 CA THR A 92 3.933 -2.344 -2.270 1.00 0.05 C ATOM 1372 C THR A 92 3.532 -1.470 -3.441 1.00 0.05 C ATOM 1373 O THR A 92 3.923 -1.725 -4.572 1.00 0.09 O ATOM 1374 CB THR A 92 5.440 -2.182 -2.056 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.908 -3.026 -0.998 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.769 -0.730 -1.766 1.00 0.09 C ATOM 0 H THR A 92 4.119 -4.131 -3.316 1.00 0.05 H new ATOM 0 HA THR A 92 3.420 -2.056 -1.352 1.00 0.05 H new ATOM 0 HB THR A 92 5.950 -2.485 -2.970 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.307 -2.948 -0.228 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.843 -0.623 -1.615 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.458 -0.111 -2.608 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.243 -0.410 -0.867 1.00 0.09 H new ATOM 1384 N LEU A 93 2.759 -0.454 -3.177 1.00 0.05 N ATOM 1385 CA LEU A 93 2.272 0.406 -4.224 1.00 0.05 C ATOM 1386 C LEU A 93 2.836 1.800 -4.079 1.00 0.06 C ATOM 1387 O LEU A 93 3.344 2.186 -3.027 1.00 0.06 O ATOM 1388 CB LEU A 93 0.759 0.429 -4.190 1.00 0.05 C ATOM 1389 CG LEU A 93 0.166 1.186 -3.015 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.189 2.617 -3.412 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.034 0.434 -2.484 1.00 0.06 C ATOM 0 H LEU A 93 2.450 -0.198 -2.239 1.00 0.05 H new ATOM 0 HA LEU A 93 2.600 0.018 -5.188 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.394 0.876 -5.115 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.393 -0.598 -4.166 1.00 0.05 H new ATOM 0 HG LEU A 93 0.907 1.254 -2.219 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.612 3.139 -2.553 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.710 3.136 -3.745 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.919 2.600 -4.221 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.460 0.977 -1.640 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.783 0.341 -3.271 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.726 -0.559 -2.157 1.00 0.06 H new ATOM 1403 N ASN A 94 2.725 2.534 -5.150 1.00 0.06 N ATOM 1404 CA ASN A 94 3.173 3.902 -5.219 1.00 0.08 C ATOM 1405 C ASN A 94 1.947 4.771 -5.167 1.00 0.09 C ATOM 1406 O ASN A 94 1.096 4.670 -6.031 1.00 0.15 O ATOM 1407 CB ASN A 94 3.873 4.131 -6.549 1.00 0.09 C ATOM 1408 CG ASN A 94 4.869 5.274 -6.532 1.00 0.19 C ATOM 1409 OD1 ASN A 94 6.049 5.064 -6.292 1.00 1.15 O ATOM 1410 ND2 ASN A 94 4.410 6.484 -6.806 1.00 0.87 N ATOM 0 H ASN A 94 2.313 2.194 -6.019 1.00 0.06 H new ATOM 0 HA ASN A 94 3.859 4.129 -4.403 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.390 3.216 -6.838 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.122 4.328 -7.314 1.00 0.09 H new ATOM 0 HD21 ASN A 94 5.048 7.280 -6.822 1.00 0.87 H new ATOM 0 HD22 ASN A 94 3.418 6.621 -7.001 1.00 0.87 H new ATOM 1417 N CYS A 95 1.834 5.606 -4.168 1.00 0.07 N ATOM 1418 CA CYS A 95 0.649 6.420 -4.023 1.00 0.07 C ATOM 1419 C CYS A 95 0.602 7.449 -5.136 1.00 0.08 C ATOM 1420 O CYS A 95 -0.447 7.718 -5.706 1.00 0.10 O ATOM 1421 CB CYS A 95 0.667 7.120 -2.668 1.00 0.09 C ATOM 1422 SG CYS A 95 1.711 8.587 -2.602 1.00 0.18 S ATOM 0 H CYS A 95 2.541 5.742 -3.445 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.236 5.786 -4.083 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.352 7.402 -2.405 1.00 0.09 H new ATOM 0 HB3 CYS A 95 1.007 6.413 -1.912 1.00 0.09 H new ATOM 0 HG CYS A 95 2.259 8.677 -1.427 1.00 0.18 H new ATOM 1428 N LYS A 96 1.773 7.960 -5.484 1.00 0.09 N ATOM 1429 CA LYS A 96 1.881 9.099 -6.367 1.00 0.10 C ATOM 1430 C LYS A 96 1.641 8.713 -7.811 1.00 0.11 C ATOM 1431 O LYS A 96 1.456 9.575 -8.670 1.00 0.17 O ATOM 1432 CB LYS A 96 3.250 9.742 -6.191 1.00 0.10 C ATOM 1433 CG LYS A 96 3.345 10.560 -4.940 1.00 0.11 C ATOM 1434 CD LYS A 96 2.784 11.945 -5.133 1.00 0.18 C ATOM 1435 CE LYS A 96 3.501 12.900 -4.221 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.045 14.301 -4.403 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.669 7.595 -5.161 1.00 0.09 H new ATOM 0 HA LYS A 96 1.108 9.820 -6.103 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.013 8.964 -6.171 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.463 10.375 -7.052 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.806 10.058 -4.136 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.388 10.630 -4.630 1.00 0.11 H new ATOM 0 HD2 LYS A 96 2.902 12.257 -6.171 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.715 11.951 -4.918 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.341 12.600 -3.185 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.573 12.842 -4.408 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.567 14.923 -3.753 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.221 14.599 -5.384 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.027 14.364 -4.199 1.00 0.31 H new ATOM 1450 N THR A 97 1.647 7.417 -8.083 1.00 0.11 N ATOM 1451 CA THR A 97 1.438 6.943 -9.434 1.00 0.11 C ATOM 1452 C THR A 97 0.365 5.865 -9.468 1.00 0.11 C ATOM 1453 O THR A 97 -0.196 5.561 -10.520 1.00 0.12 O ATOM 1454 CB THR A 97 2.748 6.397 -10.017 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.115 5.189 -9.343 1.00 0.11 O ATOM 1456 CG2 THR A 97 3.859 7.421 -9.844 1.00 0.15 C ATOM 0 H THR A 97 1.793 6.683 -7.390 1.00 0.11 H new ATOM 0 HA THR A 97 1.103 7.784 -10.041 1.00 0.11 H new ATOM 0 HB THR A 97 2.602 6.193 -11.078 1.00 0.12 H new ATOM 0 HG1 THR A 97 3.951 4.845 -9.721 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.786 7.026 -10.260 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.590 8.341 -10.364 1.00 0.15 H new ATOM 0 HG23 THR A 97 3.998 7.631 -8.784 1.00 0.15 H new ATOM 1464 N GLY A 98 0.085 5.292 -8.297 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.873 4.220 -8.193 1.00 0.10 C ATOM 1466 C GLY A 98 -0.341 2.933 -8.790 1.00 0.10 C ATOM 1467 O GLY A 98 -1.091 1.996 -9.066 1.00 0.13 O ATOM 0 H GLY A 98 0.515 5.562 -7.412 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.125 4.058 -7.145 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.794 4.504 -8.702 1.00 0.10 H new ATOM 1471 N TYR A 99 0.968 2.909 -9.011 1.00 0.10 N ATOM 1472 CA TYR A 99 1.667 1.721 -9.431 1.00 0.12 C ATOM 1473 C TYR A 99 1.772 0.768 -8.253 1.00 0.09 C ATOM 1474 O TYR A 99 1.620 1.183 -7.110 1.00 0.09 O ATOM 1475 CB TYR A 99 3.061 2.118 -9.907 1.00 0.18 C ATOM 1476 CG TYR A 99 3.713 1.108 -10.805 1.00 0.33 C ATOM 1477 CD1 TYR A 99 3.274 0.945 -12.103 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.766 0.331 -10.358 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.869 0.025 -12.946 1.00 0.60 C ATOM 1480 CE2 TYR A 99 5.368 -0.591 -11.188 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.917 -0.744 -12.481 1.00 0.69 C ATOM 1482 OH TYR A 99 5.522 -1.664 -13.309 1.00 0.85 O ATOM 0 H TYR A 99 1.570 3.725 -8.900 1.00 0.10 H new ATOM 0 HA TYR A 99 1.132 1.229 -10.243 1.00 0.12 H new ATOM 0 HB2 TYR A 99 2.996 3.069 -10.435 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.698 2.280 -9.037 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.453 1.545 -12.466 1.00 0.43 H new ATOM 0 HD2 TYR A 99 5.122 0.448 -9.345 1.00 0.48 H new ATOM 0 HE1 TYR A 99 3.517 -0.091 -13.960 1.00 0.60 H new ATOM 0 HE2 TYR A 99 6.190 -1.191 -10.826 1.00 0.64 H new ATOM 0 HH TYR A 99 6.242 -2.118 -12.823 1.00 0.85 H new ATOM 1492 N PHE A 100 2.025 -0.495 -8.519 1.00 0.10 N ATOM 1493 CA PHE A 100 2.211 -1.459 -7.453 1.00 0.09 C ATOM 1494 C PHE A 100 3.199 -2.537 -7.848 1.00 0.10 C ATOM 1495 O PHE A 100 3.239 -2.985 -8.996 1.00 0.13 O ATOM 1496 CB PHE A 100 0.875 -2.059 -7.002 1.00 0.10 C ATOM 1497 CG PHE A 100 0.013 -2.564 -8.120 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.884 -1.716 -8.745 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.094 -3.880 -8.539 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.688 -2.172 -9.770 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.706 -4.344 -9.565 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.598 -3.488 -10.182 1.00 0.20 C ATOM 0 H PHE A 100 2.107 -0.879 -9.460 1.00 0.10 H new ATOM 0 HA PHE A 100 2.633 -0.927 -6.601 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.074 -2.880 -6.313 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.321 -1.303 -6.445 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.956 -0.686 -8.427 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.790 -4.552 -8.059 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.386 -1.502 -10.249 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.634 -5.373 -9.884 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.224 -3.847 -10.985 1.00 0.20 H new ATOM 1512 N VAL A 101 4.005 -2.919 -6.876 1.00 0.08 N ATOM 1513 CA VAL A 101 5.106 -3.831 -7.084 1.00 0.09 C ATOM 1514 C VAL A 101 4.853 -5.133 -6.337 1.00 0.10 C ATOM 1515 O VAL A 101 4.292 -5.130 -5.242 1.00 0.12 O ATOM 1516 CB VAL A 101 6.435 -3.201 -6.592 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.449 -1.696 -6.824 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.698 -3.512 -5.131 1.00 0.10 C ATOM 0 H VAL A 101 3.910 -2.600 -5.912 1.00 0.08 H new ATOM 0 HA VAL A 101 5.186 -4.035 -8.152 1.00 0.09 H new ATOM 0 HB VAL A 101 7.237 -3.649 -7.179 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.393 -1.282 -6.469 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.340 -1.491 -7.889 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.624 -1.236 -6.280 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.638 -3.053 -4.825 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.885 -3.115 -4.523 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.760 -4.592 -4.994 1.00 0.10 H new ATOM 1528 N GLY A 102 5.267 -6.236 -6.920 1.00 0.11 N ATOM 1529 CA GLY A 102 5.081 -7.517 -6.275 1.00 0.16 C ATOM 1530 C GLY A 102 6.355 -7.998 -5.614 1.00 0.23 C ATOM 1531 O GLY A 102 7.388 -7.332 -5.695 1.00 0.49 O ATOM 0 H GLY A 102 5.729 -6.273 -7.828 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.291 -7.438 -5.529 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.752 -8.251 -7.011 1.00 0.16 H new