USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 906 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 123 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 127 ASN : amide:sc= -0.245 K(o=-0.25,f=-4.1!) USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.229 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.206! C(o=0.39!,f=-15!) USER MOD Set 2.3: A 113 LYS NZ :NH3+ -162:sc= -0.0415 (180deg=-1.59!) USER MOD Set 3.1: A 78 TYR OH : rot 152:sc= 0.909 USER MOD Set 3.2: A 82 LYS NZ :NH3+ -165:sc= 1.14 (180deg=-0.554) USER MOD Set 4.1: A 37 CYS SG : rot 68:sc= 1.09 USER MOD Set 4.2: A 41 MET CE :methyl -159:sc= -0.0701 (180deg=-0.374) USER MOD Set 5.1: A 17 SER OG : rot -72:sc= 0.113 USER MOD Set 5.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 79 MET CE :methyl 169:sc= -0.135 (180deg=-0.405) USER MOD Single : A 7 THR OG1 : rot -161:sc= 1.13 USER MOD Single : A 10 GLN : amide:sc= -1.7 K(o=-1.7,f=-1.1) USER MOD Single : A 11 MET CE :methyl -157:sc= 0 (180deg=-0.214) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 1.01 (180deg=0.259) USER MOD Single : A 16 GLN : amide:sc= 0.0238 X(o=0.024,f=-0.096) USER MOD Single : A 24 ASN : amide:sc= 0.391 K(o=0.39,f=-0.23) USER MOD Single : A 25 HIS : no HE2:sc= 0.556 K(o=0.56,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.94) USER MOD Single : A 36 SER OG : rot 142:sc= 0.657 USER MOD Single : A 39 SER OG : rot 71:sc= 0.456 USER MOD Single : A 40 SER OG : rot 79:sc= 0.588 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.47) USER MOD Single : A 56 TYR OH : rot -90:sc= 0.0785 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.796 USER MOD Single : A 61 ASN : amide:sc= 0.434 K(o=0.43,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= 1.17 K(o=1.2,f=-0.076) USER MOD Single : A 64 THR OG1 : rot 29:sc= 0.243 USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 2.3 (180deg=0.0191!) USER MOD Single : A 68 ASN : amide:sc= -3.42! K(o=-3.4!,f=-0.29) USER MOD Single : A 71 SER OG : rot 171:sc= -0.0284 USER MOD Single : A 74 ASN : amide:sc= -5.25! C(o=-5.2!,f=-8.9!) USER MOD Single : A 77 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.86) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 0.0493 (180deg=-1.54!) USER MOD Single : A 83 ASN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 93 ASN : amide:sc= 1.07 K(o=1.1,f=-2.6!) USER MOD Single : A 97 SER OG : rot 78:sc= 1.28 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -155:sc= 0.935 (180deg=-0.294) USER MOD Single : A 105 SER OG : rot -78:sc= 1.03 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 111 MET CE :methyl -163:sc= -0.343 (180deg=-0.689) USER MOD Single : A 116 MET CE :methyl -164:sc= -0.835 (180deg=-1.44) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 120 GLN : amide:sc= -0.438 K(o=-0.44,f=-4.2!) USER MOD Single : A 125 LYS NZ :NH3+ 161:sc= 2.33 (180deg=1.65) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 17:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -2.377 8.674 4.030 1.00 50.45 N ATOM 41 CA GLY A 5 -3.020 9.603 3.137 1.00 3.20 C ATOM 42 C GLY A 5 -3.217 8.925 1.802 1.00 72.13 C ATOM 43 O GLY A 5 -2.938 7.731 1.677 1.00 71.41 O ATOM 0 HA2 GLY A 5 -3.979 9.920 3.546 1.00 3.20 H new ATOM 0 HA3 GLY A 5 -2.411 10.500 3.020 1.00 3.20 H new ATOM 47 N VAL A 6 -3.712 9.608 0.824 1.00 41.22 N ATOM 48 CA VAL A 6 -3.886 8.969 -0.460 1.00 24.35 C ATOM 49 C VAL A 6 -2.899 9.576 -1.395 1.00 32.52 C ATOM 50 O VAL A 6 -2.692 10.782 -1.377 1.00 3.44 O ATOM 51 CB VAL A 6 -5.281 9.164 -1.066 1.00 65.22 C ATOM 52 CG1 VAL A 6 -5.599 8.065 -2.086 1.00 15.22 C ATOM 53 CG2 VAL A 6 -6.364 9.316 -0.013 1.00 32.15 C ATOM 0 H VAL A 6 -4.000 10.585 0.874 1.00 41.22 H new ATOM 0 HA VAL A 6 -3.747 7.898 -0.313 1.00 24.35 H new ATOM 0 HB VAL A 6 -5.267 10.111 -1.605 1.00 65.22 H new ATOM 0 HG11 VAL A 6 -6.594 8.229 -2.499 1.00 15.22 H new ATOM 0 HG12 VAL A 6 -4.864 8.091 -2.890 1.00 15.22 H new ATOM 0 HG13 VAL A 6 -5.566 7.092 -1.595 1.00 15.22 H new ATOM 0 HG21 VAL A 6 -7.329 9.451 -0.501 1.00 32.15 H new ATOM 0 HG22 VAL A 6 -6.394 8.422 0.610 1.00 32.15 H new ATOM 0 HG23 VAL A 6 -6.147 10.184 0.609 1.00 32.15 H new ATOM 63 N THR A 7 -2.307 8.772 -2.175 1.00 32.41 N ATOM 64 CA THR A 7 -1.325 9.215 -3.090 1.00 43.11 C ATOM 65 C THR A 7 -1.861 9.101 -4.540 1.00 52.32 C ATOM 66 O THR A 7 -2.967 8.517 -4.779 1.00 1.51 O ATOM 67 CB THR A 7 -0.037 8.400 -2.882 1.00 40.32 C ATOM 68 OG1 THR A 7 0.998 8.872 -3.742 1.00 43.52 O ATOM 69 CG2 THR A 7 -0.330 6.929 -3.110 1.00 23.55 C ATOM 0 H THR A 7 -2.488 7.769 -2.203 1.00 32.41 H new ATOM 0 HA THR A 7 -1.092 10.265 -2.915 1.00 43.11 H new ATOM 0 HB THR A 7 0.314 8.525 -1.858 1.00 40.32 H new ATOM 0 HG1 THR A 7 1.694 8.187 -3.823 1.00 43.52 H new ATOM 0 HG21 THR A 7 0.581 6.349 -2.963 1.00 23.55 H new ATOM 0 HG22 THR A 7 -1.090 6.596 -2.403 1.00 23.55 H new ATOM 0 HG23 THR A 7 -0.692 6.784 -4.128 1.00 23.55 H new ATOM 77 N ALA A 8 -1.083 9.597 -5.490 1.00 21.45 N ATOM 78 CA ALA A 8 -1.472 9.650 -6.886 1.00 41.21 C ATOM 79 C ALA A 8 -1.610 8.255 -7.447 1.00 22.23 C ATOM 80 O ALA A 8 -2.541 7.972 -8.184 1.00 11.11 O ATOM 81 CB ALA A 8 -0.464 10.458 -7.692 1.00 15.04 C ATOM 0 H ALA A 8 -0.154 9.978 -5.309 1.00 21.45 H new ATOM 0 HA ALA A 8 -2.440 10.146 -6.957 1.00 41.21 H new ATOM 0 HB1 ALA A 8 -0.773 10.487 -8.737 1.00 15.04 H new ATOM 0 HB2 ALA A 8 -0.415 11.474 -7.300 1.00 15.04 H new ATOM 0 HB3 ALA A 8 0.519 9.993 -7.617 1.00 15.04 H new ATOM 87 N GLU A 9 -0.684 7.399 -7.067 1.00 40.21 N ATOM 88 CA GLU A 9 -0.667 5.994 -7.446 1.00 2.12 C ATOM 89 C GLU A 9 -1.994 5.337 -7.081 1.00 35.14 C ATOM 90 O GLU A 9 -2.610 4.643 -7.901 1.00 63.41 O ATOM 91 CB GLU A 9 0.484 5.217 -6.747 1.00 55.54 C ATOM 92 CG GLU A 9 1.892 5.820 -6.879 1.00 11.31 C ATOM 93 CD GLU A 9 2.074 7.060 -6.029 1.00 44.24 C ATOM 94 OE1 GLU A 9 2.427 6.929 -4.853 1.00 61.41 O ATOM 95 OE2 GLU A 9 1.780 8.164 -6.507 1.00 41.54 O ATOM 0 H GLU A 9 0.100 7.664 -6.470 1.00 40.21 H new ATOM 0 HA GLU A 9 -0.506 5.954 -8.523 1.00 2.12 H new ATOM 0 HB2 GLU A 9 0.246 5.134 -5.687 1.00 55.54 H new ATOM 0 HB3 GLU A 9 0.507 4.204 -7.149 1.00 55.54 H new ATOM 0 HG2 GLU A 9 2.632 5.074 -6.590 1.00 11.31 H new ATOM 0 HG3 GLU A 9 2.081 6.068 -7.923 1.00 11.31 H new ATOM 102 N GLN A 10 -2.484 5.599 -5.859 1.00 53.02 N ATOM 103 CA GLN A 10 -3.731 4.989 -5.453 1.00 52.33 C ATOM 104 C GLN A 10 -4.819 5.520 -6.289 1.00 63.11 C ATOM 105 O GLN A 10 -5.647 4.765 -6.768 1.00 21.42 O ATOM 106 CB GLN A 10 -4.125 5.212 -4.026 1.00 44.22 C ATOM 107 CG GLN A 10 -5.154 4.197 -3.644 1.00 54.11 C ATOM 108 CD GLN A 10 -5.573 4.266 -2.184 1.00 4.14 C ATOM 109 OE1 GLN A 10 -4.805 4.662 -1.312 1.00 51.03 O ATOM 110 NE2 GLN A 10 -6.790 3.887 -1.906 1.00 62.50 N ATOM 0 H GLN A 10 -2.046 6.207 -5.168 1.00 53.02 H new ATOM 0 HA GLN A 10 -3.569 3.918 -5.573 1.00 52.33 H new ATOM 0 HB2 GLN A 10 -3.253 5.128 -3.377 1.00 44.22 H new ATOM 0 HB3 GLN A 10 -4.523 6.219 -3.898 1.00 44.22 H new ATOM 0 HG2 GLN A 10 -6.035 4.333 -4.272 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -4.764 3.201 -3.853 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -7.406 3.563 -2.651 1.00 62.50 H new ATOM 0 HE22 GLN A 10 -7.126 3.915 -0.943 1.00 62.50 H new ATOM 119 N MET A 11 -4.788 6.821 -6.500 1.00 24.31 N ATOM 120 CA MET A 11 -5.773 7.488 -7.338 1.00 51.11 C ATOM 121 C MET A 11 -5.787 6.898 -8.755 1.00 71.52 C ATOM 122 O MET A 11 -6.729 7.091 -9.490 1.00 52.33 O ATOM 123 CB MET A 11 -5.556 9.006 -7.392 1.00 52.31 C ATOM 124 CG MET A 11 -5.785 9.745 -6.080 1.00 44.33 C ATOM 125 SD MET A 11 -7.482 9.615 -5.490 1.00 20.34 S ATOM 126 CE MET A 11 -7.425 10.679 -4.052 1.00 11.10 C ATOM 0 H MET A 11 -4.086 7.444 -6.100 1.00 24.31 H new ATOM 0 HA MET A 11 -6.746 7.312 -6.878 1.00 51.11 H new ATOM 0 HB2 MET A 11 -4.536 9.199 -7.725 1.00 52.31 H new ATOM 0 HB3 MET A 11 -6.222 9.425 -8.146 1.00 52.31 H new ATOM 0 HG2 MET A 11 -5.111 9.347 -5.322 1.00 44.33 H new ATOM 0 HG3 MET A 11 -5.531 10.797 -6.212 1.00 44.33 H new ATOM 0 HE1 MET A 11 -8.223 10.403 -3.363 1.00 11.10 H new ATOM 0 HE2 MET A 11 -6.462 10.567 -3.554 1.00 11.10 H new ATOM 0 HE3 MET A 11 -7.555 11.716 -4.361 1.00 11.10 H new ATOM 136 N GLN A 12 -4.719 6.203 -9.132 1.00 22.30 N ATOM 137 CA GLN A 12 -4.667 5.541 -10.402 1.00 62.14 C ATOM 138 C GLN A 12 -5.234 4.121 -10.291 1.00 44.22 C ATOM 139 O GLN A 12 -6.076 3.732 -11.098 1.00 52.50 O ATOM 140 CB GLN A 12 -3.235 5.496 -10.945 1.00 53.51 C ATOM 141 CG GLN A 12 -2.617 6.866 -11.172 1.00 3.34 C ATOM 142 CD GLN A 12 -1.182 6.796 -11.658 1.00 2.24 C ATOM 143 OE1 GLN A 12 -0.449 5.872 -11.349 1.00 31.00 O ATOM 144 NE2 GLN A 12 -0.770 7.780 -12.416 1.00 74.01 N ATOM 0 H GLN A 12 -3.880 6.092 -8.562 1.00 22.30 H new ATOM 0 HA GLN A 12 -5.278 6.112 -11.101 1.00 62.14 H new ATOM 0 HB2 GLN A 12 -2.610 4.938 -10.248 1.00 53.51 H new ATOM 0 HB3 GLN A 12 -3.231 4.946 -11.886 1.00 53.51 H new ATOM 0 HG2 GLN A 12 -3.215 7.412 -11.901 1.00 3.34 H new ATOM 0 HG3 GLN A 12 -2.652 7.433 -10.242 1.00 3.34 H new ATOM 0 HE21 GLN A 12 -1.407 8.539 -12.657 1.00 74.01 H new ATOM 0 HE22 GLN A 12 0.188 7.788 -12.766 1.00 74.01 H new ATOM 153 N GLU A 13 -4.863 3.377 -9.230 1.00 20.14 N ATOM 154 CA GLU A 13 -5.241 1.963 -9.186 1.00 12.44 C ATOM 155 C GLU A 13 -6.617 1.760 -8.663 1.00 63.20 C ATOM 156 O GLU A 13 -7.436 1.067 -9.261 1.00 65.04 O ATOM 157 CB GLU A 13 -4.225 1.124 -8.419 1.00 52.31 C ATOM 158 CG GLU A 13 -3.077 0.663 -9.287 1.00 14.21 C ATOM 159 CD GLU A 13 -3.567 -0.275 -10.381 1.00 2.43 C ATOM 160 OE1 GLU A 13 -4.191 0.210 -11.352 1.00 64.32 O ATOM 161 OE2 GLU A 13 -3.379 -1.492 -10.244 1.00 2.33 O ATOM 0 H GLU A 13 -4.328 3.716 -8.431 1.00 20.14 H new ATOM 0 HA GLU A 13 -5.239 1.614 -10.219 1.00 12.44 H new ATOM 0 HB2 GLU A 13 -3.834 1.707 -7.585 1.00 52.31 H new ATOM 0 HB3 GLU A 13 -4.725 0.254 -7.993 1.00 52.31 H new ATOM 0 HG2 GLU A 13 -2.585 1.526 -9.736 1.00 14.21 H new ATOM 0 HG3 GLU A 13 -2.333 0.155 -8.673 1.00 14.21 H new ATOM 168 N PHE A 14 -6.897 2.434 -7.607 1.00 32.13 N ATOM 169 CA PHE A 14 -8.141 2.342 -6.912 1.00 10.22 C ATOM 170 C PHE A 14 -9.270 2.835 -7.819 1.00 1.43 C ATOM 171 O PHE A 14 -10.365 2.235 -7.882 1.00 40.45 O ATOM 172 CB PHE A 14 -7.946 3.102 -5.605 1.00 61.44 C ATOM 173 CG PHE A 14 -8.792 4.238 -5.361 1.00 43.44 C ATOM 174 CD1 PHE A 14 -10.014 4.047 -4.875 1.00 1.11 C ATOM 175 CD2 PHE A 14 -8.343 5.499 -5.589 1.00 31.33 C ATOM 176 CE1 PHE A 14 -10.815 5.060 -4.613 1.00 5.10 C ATOM 177 CE2 PHE A 14 -9.126 6.557 -5.327 1.00 52.15 C ATOM 178 CZ PHE A 14 -10.381 6.351 -4.834 1.00 73.25 C ATOM 0 H PHE A 14 -6.244 3.092 -7.182 1.00 32.13 H new ATOM 0 HA PHE A 14 -8.441 1.326 -6.657 1.00 10.22 H new ATOM 0 HB2 PHE A 14 -8.084 2.398 -4.784 1.00 61.44 H new ATOM 0 HB3 PHE A 14 -6.911 3.440 -5.565 1.00 61.44 H new ATOM 0 HD1 PHE A 14 -10.358 3.040 -4.691 1.00 1.11 H new ATOM 0 HD2 PHE A 14 -7.349 5.652 -5.984 1.00 31.33 H new ATOM 0 HE1 PHE A 14 -11.807 4.880 -4.227 1.00 5.10 H new ATOM 0 HE2 PHE A 14 -8.767 7.560 -5.504 1.00 52.15 H new ATOM 0 HZ PHE A 14 -11.028 7.189 -4.619 1.00 73.25 H new ATOM 188 N LYS A 15 -8.943 3.846 -8.600 1.00 43.33 N ATOM 189 CA LYS A 15 -9.825 4.368 -9.601 1.00 23.32 C ATOM 190 C LYS A 15 -10.089 3.312 -10.658 1.00 11.22 C ATOM 191 O LYS A 15 -11.212 3.125 -11.026 1.00 42.31 O ATOM 192 CB LYS A 15 -9.227 5.655 -10.199 1.00 53.04 C ATOM 193 CG LYS A 15 -9.857 6.223 -11.497 1.00 21.32 C ATOM 194 CD LYS A 15 -11.356 6.513 -11.392 1.00 71.54 C ATOM 195 CE LYS A 15 -11.862 7.247 -12.641 1.00 71.40 C ATOM 196 NZ LYS A 15 -13.350 7.224 -12.763 1.00 61.12 N ATOM 0 H LYS A 15 -8.045 4.327 -8.549 1.00 43.33 H new ATOM 0 HA LYS A 15 -10.785 4.628 -9.154 1.00 23.32 H new ATOM 0 HB2 LYS A 15 -9.279 6.432 -9.436 1.00 53.04 H new ATOM 0 HB3 LYS A 15 -8.171 5.471 -10.395 1.00 53.04 H new ATOM 0 HG2 LYS A 15 -9.338 7.143 -11.767 1.00 21.32 H new ATOM 0 HG3 LYS A 15 -9.691 5.514 -12.308 1.00 21.32 H new ATOM 0 HD2 LYS A 15 -11.903 5.578 -11.268 1.00 71.54 H new ATOM 0 HD3 LYS A 15 -11.552 7.117 -10.506 1.00 71.54 H new ATOM 0 HE2 LYS A 15 -11.520 8.282 -12.612 1.00 71.40 H new ATOM 0 HE3 LYS A 15 -11.422 6.791 -13.528 1.00 71.40 H new ATOM 0 HZ1 LYS A 15 -13.679 8.126 -13.163 1.00 61.12 H new ATOM 0 HZ2 LYS A 15 -13.635 6.443 -13.388 1.00 61.12 H new ATOM 0 HZ3 LYS A 15 -13.773 7.087 -11.823 1.00 61.12 H new ATOM 210 N GLN A 16 -9.066 2.549 -11.044 1.00 34.42 N ATOM 211 CA GLN A 16 -9.221 1.575 -12.117 1.00 31.41 C ATOM 212 C GLN A 16 -10.010 0.369 -11.619 1.00 33.14 C ATOM 213 O GLN A 16 -10.943 -0.122 -12.290 1.00 44.14 O ATOM 214 CB GLN A 16 -7.846 1.139 -12.669 1.00 22.13 C ATOM 215 CG GLN A 16 -7.937 0.105 -13.787 1.00 33.24 C ATOM 216 CD GLN A 16 -6.599 -0.286 -14.409 1.00 51.23 C ATOM 217 OE1 GLN A 16 -6.546 -0.625 -15.588 1.00 50.15 O ATOM 218 NE2 GLN A 16 -5.528 -0.259 -13.656 1.00 24.13 N ATOM 0 H GLN A 16 -8.133 2.587 -10.634 1.00 34.42 H new ATOM 0 HA GLN A 16 -9.774 2.043 -12.932 1.00 31.41 H new ATOM 0 HB2 GLN A 16 -7.318 2.017 -13.040 1.00 22.13 H new ATOM 0 HB3 GLN A 16 -7.250 0.729 -11.854 1.00 22.13 H new ATOM 0 HG2 GLN A 16 -8.415 -0.792 -13.394 1.00 33.24 H new ATOM 0 HG3 GLN A 16 -8.586 0.495 -14.571 1.00 33.24 H new ATOM 0 HE21 GLN A 16 -5.598 0.026 -12.679 1.00 24.13 H new ATOM 0 HE22 GLN A 16 -4.623 -0.523 -14.046 1.00 24.13 H new ATOM 227 N SER A 17 -9.675 -0.064 -10.426 1.00 63.15 N ATOM 228 CA SER A 17 -10.289 -1.206 -9.823 1.00 51.31 C ATOM 229 C SER A 17 -11.780 -1.011 -9.554 1.00 74.00 C ATOM 230 O SER A 17 -12.554 -1.954 -9.715 1.00 40.33 O ATOM 231 CB SER A 17 -9.506 -1.665 -8.596 1.00 2.13 C ATOM 232 OG SER A 17 -9.127 -0.563 -7.794 1.00 23.21 O ATOM 0 H SER A 17 -8.960 0.377 -9.847 1.00 63.15 H new ATOM 0 HA SER A 17 -10.245 -2.019 -10.548 1.00 51.31 H new ATOM 0 HB2 SER A 17 -10.114 -2.354 -8.009 1.00 2.13 H new ATOM 0 HB3 SER A 17 -8.618 -2.212 -8.911 1.00 2.13 H new ATOM 0 HG SER A 17 -8.419 -0.058 -8.246 1.00 23.21 H new ATOM 238 N PHE A 18 -12.218 0.193 -9.155 1.00 33.15 N ATOM 239 CA PHE A 18 -13.662 0.357 -9.038 1.00 51.55 C ATOM 240 C PHE A 18 -14.314 0.615 -10.401 1.00 73.35 C ATOM 241 O PHE A 18 -15.408 0.139 -10.664 1.00 45.25 O ATOM 242 CB PHE A 18 -14.133 1.404 -7.973 1.00 43.44 C ATOM 243 CG PHE A 18 -13.739 2.855 -8.146 1.00 15.22 C ATOM 244 CD1 PHE A 18 -14.090 3.576 -9.277 1.00 2.33 C ATOM 245 CD2 PHE A 18 -13.043 3.498 -7.154 1.00 33.24 C ATOM 246 CE1 PHE A 18 -13.737 4.891 -9.412 1.00 54.43 C ATOM 247 CE2 PHE A 18 -12.691 4.816 -7.286 1.00 42.03 C ATOM 248 CZ PHE A 18 -13.032 5.511 -8.413 1.00 3.33 C ATOM 0 H PHE A 18 -11.643 1.003 -8.926 1.00 33.15 H new ATOM 0 HA PHE A 18 -14.012 -0.602 -8.655 1.00 51.55 H new ATOM 0 HB2 PHE A 18 -15.221 1.362 -7.929 1.00 43.44 H new ATOM 0 HB3 PHE A 18 -13.762 1.076 -7.002 1.00 43.44 H new ATOM 0 HD1 PHE A 18 -14.651 3.092 -10.063 1.00 2.33 H new ATOM 0 HD2 PHE A 18 -12.769 2.959 -6.259 1.00 33.24 H new ATOM 0 HE1 PHE A 18 -14.013 5.438 -10.302 1.00 54.43 H new ATOM 0 HE2 PHE A 18 -12.142 5.308 -6.497 1.00 42.03 H new ATOM 0 HZ PHE A 18 -12.746 6.547 -8.516 1.00 3.33 H new ATOM 258 N ASP A 19 -13.579 1.302 -11.269 1.00 45.21 N ATOM 259 CA ASP A 19 -14.079 1.821 -12.566 1.00 74.42 C ATOM 260 C ASP A 19 -14.508 0.709 -13.472 1.00 32.23 C ATOM 261 O ASP A 19 -15.555 0.768 -14.081 1.00 64.04 O ATOM 262 CB ASP A 19 -12.966 2.576 -13.256 1.00 51.30 C ATOM 263 CG ASP A 19 -13.436 3.689 -14.147 1.00 1.22 C ATOM 264 OD1 ASP A 19 -13.801 3.461 -15.298 1.00 71.52 O ATOM 265 OD2 ASP A 19 -13.431 4.845 -13.673 1.00 35.23 O ATOM 0 H ASP A 19 -12.598 1.525 -11.100 1.00 45.21 H new ATOM 0 HA ASP A 19 -14.934 2.466 -12.362 1.00 74.42 H new ATOM 0 HB2 ASP A 19 -12.299 2.989 -12.499 1.00 51.30 H new ATOM 0 HB3 ASP A 19 -12.380 1.874 -13.849 1.00 51.30 H new ATOM 270 N ALA A 20 -13.680 -0.321 -13.526 1.00 51.23 N ATOM 271 CA ALA A 20 -13.920 -1.471 -14.385 1.00 60.23 C ATOM 272 C ALA A 20 -15.242 -2.184 -14.063 1.00 64.55 C ATOM 273 O ALA A 20 -15.820 -2.847 -14.920 1.00 22.23 O ATOM 274 CB ALA A 20 -12.754 -2.446 -14.262 1.00 21.14 C ATOM 0 H ALA A 20 -12.823 -0.385 -12.977 1.00 51.23 H new ATOM 0 HA ALA A 20 -14.000 -1.107 -15.409 1.00 60.23 H new ATOM 0 HB1 ALA A 20 -12.931 -3.308 -14.905 1.00 21.14 H new ATOM 0 HB2 ALA A 20 -11.832 -1.951 -14.566 1.00 21.14 H new ATOM 0 HB3 ALA A 20 -12.664 -2.777 -13.227 1.00 21.14 H new ATOM 280 N PHE A 21 -15.672 -2.086 -12.824 1.00 42.13 N ATOM 281 CA PHE A 21 -16.878 -2.762 -12.379 1.00 32.22 C ATOM 282 C PHE A 21 -18.087 -1.833 -12.259 1.00 12.11 C ATOM 283 O PHE A 21 -19.178 -2.152 -12.722 1.00 51.25 O ATOM 284 CB PHE A 21 -16.605 -3.508 -11.077 1.00 13.12 C ATOM 285 CG PHE A 21 -15.564 -4.578 -11.249 1.00 70.04 C ATOM 286 CD1 PHE A 21 -15.909 -5.814 -11.754 1.00 54.52 C ATOM 287 CD2 PHE A 21 -14.239 -4.339 -10.927 1.00 10.14 C ATOM 288 CE1 PHE A 21 -14.957 -6.790 -11.933 1.00 32.54 C ATOM 289 CE2 PHE A 21 -13.281 -5.314 -11.099 1.00 3.31 C ATOM 290 CZ PHE A 21 -13.640 -6.542 -11.604 1.00 24.53 C ATOM 0 H PHE A 21 -15.203 -1.542 -12.100 1.00 42.13 H new ATOM 0 HA PHE A 21 -17.148 -3.482 -13.151 1.00 32.22 H new ATOM 0 HB2 PHE A 21 -16.275 -2.801 -10.316 1.00 13.12 H new ATOM 0 HB3 PHE A 21 -17.530 -3.957 -10.716 1.00 13.12 H new ATOM 0 HD1 PHE A 21 -16.938 -6.018 -12.012 1.00 54.52 H new ATOM 0 HD2 PHE A 21 -13.952 -3.374 -10.535 1.00 10.14 H new ATOM 0 HE1 PHE A 21 -15.241 -7.753 -12.332 1.00 32.54 H new ATOM 0 HE2 PHE A 21 -12.252 -5.115 -10.838 1.00 3.31 H new ATOM 0 HZ PHE A 21 -12.893 -7.310 -11.743 1.00 24.53 H new ATOM 300 N ASP A 22 -17.871 -0.682 -11.649 1.00 33.30 N ATOM 301 CA ASP A 22 -18.942 0.266 -11.348 1.00 23.12 C ATOM 302 C ASP A 22 -19.503 0.924 -12.614 1.00 33.41 C ATOM 303 O ASP A 22 -18.782 1.177 -13.568 1.00 74.14 O ATOM 304 CB ASP A 22 -18.450 1.317 -10.349 1.00 50.52 C ATOM 305 CG ASP A 22 -19.502 2.336 -9.999 1.00 40.15 C ATOM 306 OD1 ASP A 22 -20.271 2.126 -9.063 1.00 42.50 O ATOM 307 OD2 ASP A 22 -19.573 3.354 -10.678 1.00 74.44 O ATOM 0 H ASP A 22 -16.948 -0.372 -11.345 1.00 33.30 H new ATOM 0 HA ASP A 22 -19.763 -0.291 -10.896 1.00 23.12 H new ATOM 0 HB2 ASP A 22 -18.119 0.818 -9.438 1.00 50.52 H new ATOM 0 HB3 ASP A 22 -17.582 1.828 -10.766 1.00 50.52 H new ATOM 312 N GLY A 23 -20.795 1.219 -12.593 1.00 65.43 N ATOM 313 CA GLY A 23 -21.458 1.736 -13.770 1.00 13.24 C ATOM 314 C GLY A 23 -21.492 3.257 -13.877 1.00 75.44 C ATOM 315 O GLY A 23 -21.918 3.784 -14.902 1.00 4.50 O ATOM 0 H GLY A 23 -21.397 1.108 -11.777 1.00 65.43 H new ATOM 0 HA2 GLY A 23 -20.961 1.336 -14.654 1.00 13.24 H new ATOM 0 HA3 GLY A 23 -22.482 1.363 -13.785 1.00 13.24 H new ATOM 319 N ASN A 24 -21.087 3.965 -12.842 1.00 33.04 N ATOM 320 CA ASN A 24 -21.096 5.431 -12.903 1.00 33.12 C ATOM 321 C ASN A 24 -19.733 6.075 -12.701 1.00 5.11 C ATOM 322 O ASN A 24 -19.554 7.243 -13.009 1.00 34.31 O ATOM 323 CB ASN A 24 -22.222 6.125 -12.059 1.00 2.14 C ATOM 324 CG ASN A 24 -22.434 5.670 -10.590 1.00 14.22 C ATOM 325 OD1 ASN A 24 -23.530 5.824 -10.063 1.00 12.12 O ATOM 326 ND2 ASN A 24 -21.473 5.054 -9.955 1.00 12.55 N ATOM 0 H ASN A 24 -20.753 3.570 -11.963 1.00 33.04 H new ATOM 0 HA ASN A 24 -21.365 5.625 -13.941 1.00 33.12 H new ATOM 0 HB2 ASN A 24 -22.016 7.195 -12.048 1.00 2.14 H new ATOM 0 HB3 ASN A 24 -23.165 5.987 -12.588 1.00 2.14 H new ATOM 0 HD21 ASN A 24 -21.631 4.697 -9.013 1.00 12.55 H new ATOM 0 HD22 ASN A 24 -20.564 4.930 -10.401 1.00 12.55 H new ATOM 333 N HIS A 25 -18.797 5.297 -12.161 1.00 51.04 N ATOM 334 CA HIS A 25 -17.387 5.652 -11.900 1.00 31.11 C ATOM 335 C HIS A 25 -17.148 7.075 -11.381 1.00 13.20 C ATOM 336 O HIS A 25 -16.132 7.730 -11.713 1.00 62.13 O ATOM 337 CB HIS A 25 -16.400 5.217 -13.020 1.00 55.13 C ATOM 338 CG HIS A 25 -16.517 5.838 -14.405 1.00 33.45 C ATOM 339 ND1 HIS A 25 -15.861 5.327 -15.506 1.00 23.03 N ATOM 340 CD2 HIS A 25 -17.155 6.951 -14.846 1.00 51.00 C ATOM 341 CE1 HIS A 25 -16.108 6.111 -16.545 1.00 11.14 C ATOM 342 NE2 HIS A 25 -16.891 7.121 -16.203 1.00 43.44 N ATOM 0 H HIS A 25 -19.007 4.341 -11.873 1.00 51.04 H new ATOM 0 HA HIS A 25 -17.136 5.026 -11.043 1.00 31.11 H new ATOM 0 HB2 HIS A 25 -15.390 5.412 -12.659 1.00 55.13 H new ATOM 0 HB3 HIS A 25 -16.494 4.137 -13.137 1.00 55.13 H new ATOM 0 HD1 HIS A 25 -15.283 4.487 -15.518 1.00 23.03 H new ATOM 0 HD2 HIS A 25 -17.770 7.601 -14.241 1.00 51.00 H new ATOM 0 HE1 HIS A 25 -15.721 5.947 -17.540 1.00 11.14 H new ATOM 350 N ASP A 26 -18.008 7.456 -10.445 1.00 62.24 N ATOM 351 CA ASP A 26 -18.052 8.793 -9.803 1.00 2.32 C ATOM 352 C ASP A 26 -16.835 9.021 -8.915 1.00 70.01 C ATOM 353 O ASP A 26 -16.398 10.139 -8.688 1.00 3.34 O ATOM 354 CB ASP A 26 -19.336 8.854 -8.948 1.00 44.12 C ATOM 355 CG ASP A 26 -19.392 10.023 -7.976 1.00 72.15 C ATOM 356 OD1 ASP A 26 -19.901 11.093 -8.356 1.00 32.43 O ATOM 357 OD2 ASP A 26 -18.954 9.837 -6.810 1.00 23.31 O ATOM 0 H ASP A 26 -18.728 6.828 -10.088 1.00 62.24 H new ATOM 0 HA ASP A 26 -18.048 9.568 -10.569 1.00 2.32 H new ATOM 0 HB2 ASP A 26 -20.198 8.909 -9.613 1.00 44.12 H new ATOM 0 HB3 ASP A 26 -19.427 7.925 -8.385 1.00 44.12 H new ATOM 362 N GLY A 27 -16.206 7.947 -8.563 1.00 65.41 N ATOM 363 CA GLY A 27 -15.130 7.999 -7.634 1.00 51.30 C ATOM 364 C GLY A 27 -15.513 7.298 -6.379 1.00 65.42 C ATOM 365 O GLY A 27 -14.659 6.896 -5.589 1.00 72.01 O ATOM 0 H GLY A 27 -16.424 7.013 -8.911 1.00 65.41 H new ATOM 0 HA2 GLY A 27 -14.243 7.534 -8.065 1.00 51.30 H new ATOM 0 HA3 GLY A 27 -14.874 9.036 -7.418 1.00 51.30 H new ATOM 369 N ILE A 28 -16.786 7.130 -6.193 1.00 23.43 N ATOM 370 CA ILE A 28 -17.267 6.309 -5.129 1.00 1.23 C ATOM 371 C ILE A 28 -17.877 5.053 -5.767 1.00 23.11 C ATOM 372 O ILE A 28 -18.108 5.025 -6.984 1.00 44.53 O ATOM 373 CB ILE A 28 -18.357 7.022 -4.252 1.00 25.11 C ATOM 374 CG1 ILE A 28 -19.664 7.214 -5.056 1.00 40.51 C ATOM 375 CG2 ILE A 28 -17.842 8.385 -3.786 1.00 21.11 C ATOM 376 CD1 ILE A 28 -20.803 7.823 -4.259 1.00 14.44 C ATOM 0 H ILE A 28 -17.513 7.554 -6.769 1.00 23.43 H new ATOM 0 HA ILE A 28 -16.435 6.076 -4.465 1.00 1.23 H new ATOM 0 HB ILE A 28 -18.565 6.394 -3.386 1.00 25.11 H new ATOM 0 HG12 ILE A 28 -19.457 7.850 -5.917 1.00 40.51 H new ATOM 0 HG13 ILE A 28 -19.984 6.247 -5.444 1.00 40.51 H new ATOM 0 HG21 ILE A 28 -18.604 8.873 -3.178 1.00 21.11 H new ATOM 0 HG22 ILE A 28 -16.937 8.249 -3.194 1.00 21.11 H new ATOM 0 HG23 ILE A 28 -17.618 9.005 -4.654 1.00 21.11 H new ATOM 0 HD11 ILE A 28 -21.681 7.923 -4.897 1.00 14.44 H new ATOM 0 HD12 ILE A 28 -21.041 7.178 -3.413 1.00 14.44 H new ATOM 0 HD13 ILE A 28 -20.506 8.806 -3.893 1.00 14.44 H new ATOM 388 N LEU A 29 -18.092 4.035 -4.983 1.00 72.40 N ATOM 389 CA LEU A 29 -18.725 2.835 -5.438 1.00 61.32 C ATOM 390 C LEU A 29 -19.838 2.475 -4.435 1.00 51.33 C ATOM 391 O LEU A 29 -19.737 2.792 -3.214 1.00 32.30 O ATOM 392 CB LEU A 29 -17.685 1.692 -5.520 1.00 1.20 C ATOM 393 CG LEU A 29 -17.772 0.741 -6.732 1.00 24.01 C ATOM 394 CD1 LEU A 29 -16.729 -0.339 -6.640 1.00 40.04 C ATOM 395 CD2 LEU A 29 -19.128 0.105 -6.876 1.00 13.53 C ATOM 0 H LEU A 29 -17.828 4.017 -3.998 1.00 72.40 H new ATOM 0 HA LEU A 29 -19.150 2.980 -6.431 1.00 61.32 H new ATOM 0 HB2 LEU A 29 -16.691 2.139 -5.513 1.00 1.20 H new ATOM 0 HB3 LEU A 29 -17.771 1.092 -4.614 1.00 1.20 H new ATOM 0 HG LEU A 29 -17.594 1.357 -7.614 1.00 24.01 H new ATOM 0 HD11 LEU A 29 -16.810 -0.997 -7.505 1.00 40.04 H new ATOM 0 HD12 LEU A 29 -15.738 0.113 -6.619 1.00 40.04 H new ATOM 0 HD13 LEU A 29 -16.883 -0.917 -5.729 1.00 40.04 H new ATOM 0 HD21 LEU A 29 -19.131 -0.553 -7.745 1.00 13.53 H new ATOM 0 HD22 LEU A 29 -19.355 -0.474 -5.981 1.00 13.53 H new ATOM 0 HD23 LEU A 29 -19.882 0.881 -7.007 1.00 13.53 H new ATOM 407 N ASP A 30 -20.884 1.866 -4.934 1.00 20.21 N ATOM 408 CA ASP A 30 -21.980 1.370 -4.110 1.00 73.02 C ATOM 409 C ASP A 30 -21.626 -0.005 -3.514 1.00 54.35 C ATOM 410 O ASP A 30 -20.773 -0.721 -4.055 1.00 1.51 O ATOM 411 CB ASP A 30 -23.279 1.275 -4.933 1.00 51.54 C ATOM 412 CG ASP A 30 -24.367 0.542 -4.185 1.00 34.44 C ATOM 413 OD1 ASP A 30 -24.843 1.060 -3.168 1.00 1.14 O ATOM 414 OD2 ASP A 30 -24.640 -0.618 -4.537 1.00 24.44 O ATOM 0 H ASP A 30 -21.009 1.694 -5.932 1.00 20.21 H new ATOM 0 HA ASP A 30 -22.139 2.074 -3.293 1.00 73.02 H new ATOM 0 HB2 ASP A 30 -23.624 2.278 -5.184 1.00 51.54 H new ATOM 0 HB3 ASP A 30 -23.076 0.763 -5.873 1.00 51.54 H new ATOM 419 N LYS A 31 -22.301 -0.372 -2.432 1.00 70.14 N ATOM 420 CA LYS A 31 -22.077 -1.621 -1.729 1.00 24.15 C ATOM 421 C LYS A 31 -22.348 -2.831 -2.637 1.00 61.13 C ATOM 422 O LYS A 31 -21.496 -3.743 -2.762 1.00 5.11 O ATOM 423 CB LYS A 31 -22.987 -1.693 -0.472 1.00 22.24 C ATOM 424 CG LYS A 31 -22.867 -2.999 0.316 1.00 0.53 C ATOM 425 CD LYS A 31 -23.755 -3.029 1.566 1.00 15.21 C ATOM 426 CE LYS A 31 -23.600 -4.361 2.318 1.00 62.13 C ATOM 427 NZ LYS A 31 -24.289 -4.378 3.644 1.00 63.35 N ATOM 0 H LYS A 31 -23.032 0.203 -2.014 1.00 70.14 H new ATOM 0 HA LYS A 31 -21.031 -1.652 -1.425 1.00 24.15 H new ATOM 0 HB2 LYS A 31 -22.743 -0.860 0.188 1.00 22.24 H new ATOM 0 HB3 LYS A 31 -24.024 -1.562 -0.780 1.00 22.24 H new ATOM 0 HG2 LYS A 31 -23.134 -3.834 -0.332 1.00 0.53 H new ATOM 0 HG3 LYS A 31 -21.828 -3.144 0.612 1.00 0.53 H new ATOM 0 HD2 LYS A 31 -23.490 -2.202 2.225 1.00 15.21 H new ATOM 0 HD3 LYS A 31 -24.797 -2.888 1.280 1.00 15.21 H new ATOM 0 HE2 LYS A 31 -23.997 -5.167 1.700 1.00 62.13 H new ATOM 0 HE3 LYS A 31 -22.539 -4.565 2.465 1.00 62.13 H new ATOM 0 HZ1 LYS A 31 -24.428 -5.362 3.951 1.00 63.35 H new ATOM 0 HZ2 LYS A 31 -23.707 -3.876 4.344 1.00 63.35 H new ATOM 0 HZ3 LYS A 31 -25.213 -3.908 3.561 1.00 63.35 H new ATOM 441 N LEU A 32 -23.482 -2.798 -3.327 1.00 24.44 N ATOM 442 CA LEU A 32 -23.960 -3.935 -4.094 1.00 55.12 C ATOM 443 C LEU A 32 -23.050 -4.260 -5.255 1.00 3.01 C ATOM 444 O LEU A 32 -22.816 -5.442 -5.548 1.00 51.34 O ATOM 445 CB LEU A 32 -25.396 -3.711 -4.584 1.00 34.14 C ATOM 446 CG LEU A 32 -26.459 -3.492 -3.497 1.00 33.04 C ATOM 447 CD1 LEU A 32 -27.816 -3.234 -4.127 1.00 11.23 C ATOM 448 CD2 LEU A 32 -26.532 -4.690 -2.554 1.00 12.11 C ATOM 0 H LEU A 32 -24.093 -1.982 -3.369 1.00 24.44 H new ATOM 0 HA LEU A 32 -23.954 -4.793 -3.421 1.00 55.12 H new ATOM 0 HB2 LEU A 32 -25.400 -2.845 -5.246 1.00 34.14 H new ATOM 0 HB3 LEU A 32 -25.691 -4.572 -5.183 1.00 34.14 H new ATOM 0 HG LEU A 32 -26.171 -2.617 -2.914 1.00 33.04 H new ATOM 0 HD11 LEU A 32 -28.558 -3.081 -3.343 1.00 11.23 H new ATOM 0 HD12 LEU A 32 -27.763 -2.345 -4.755 1.00 11.23 H new ATOM 0 HD13 LEU A 32 -28.103 -4.091 -4.736 1.00 11.23 H new ATOM 0 HD21 LEU A 32 -27.292 -4.509 -1.794 1.00 12.11 H new ATOM 0 HD22 LEU A 32 -26.791 -5.584 -3.121 1.00 12.11 H new ATOM 0 HD23 LEU A 32 -25.565 -4.834 -2.073 1.00 12.11 H new ATOM 460 N GLU A 33 -22.510 -3.242 -5.891 1.00 71.10 N ATOM 461 CA GLU A 33 -21.630 -3.486 -7.005 1.00 41.22 C ATOM 462 C GLU A 33 -20.184 -3.696 -6.554 1.00 41.41 C ATOM 463 O GLU A 33 -19.481 -4.531 -7.109 1.00 1.32 O ATOM 464 CB GLU A 33 -21.780 -2.437 -8.118 1.00 15.24 C ATOM 465 CG GLU A 33 -20.960 -2.746 -9.375 1.00 0.24 C ATOM 466 CD GLU A 33 -21.043 -4.221 -9.783 1.00 71.24 C ATOM 467 OE1 GLU A 33 -22.140 -4.838 -9.667 1.00 13.34 O ATOM 468 OE2 GLU A 33 -20.004 -4.786 -10.162 1.00 35.35 O ATOM 0 H GLU A 33 -22.662 -2.260 -5.660 1.00 71.10 H new ATOM 0 HA GLU A 33 -21.942 -4.427 -7.458 1.00 41.22 H new ATOM 0 HB2 GLU A 33 -22.832 -2.360 -8.392 1.00 15.24 H new ATOM 0 HB3 GLU A 33 -21.479 -1.464 -7.730 1.00 15.24 H new ATOM 0 HG2 GLU A 33 -21.314 -2.125 -10.198 1.00 0.24 H new ATOM 0 HG3 GLU A 33 -19.918 -2.479 -9.200 1.00 0.24 H new ATOM 475 N PHE A 34 -19.750 -3.009 -5.486 1.00 0.41 N ATOM 476 CA PHE A 34 -18.392 -3.243 -4.952 1.00 1.31 C ATOM 477 C PHE A 34 -18.277 -4.701 -4.526 1.00 55.30 C ATOM 478 O PHE A 34 -17.204 -5.298 -4.532 1.00 63.05 O ATOM 479 CB PHE A 34 -18.073 -2.303 -3.777 1.00 43.04 C ATOM 480 CG PHE A 34 -16.665 -2.432 -3.229 1.00 21.23 C ATOM 481 CD1 PHE A 34 -15.568 -2.354 -4.074 1.00 13.25 C ATOM 482 CD2 PHE A 34 -16.444 -2.625 -1.875 1.00 62.21 C ATOM 483 CE1 PHE A 34 -14.291 -2.459 -3.593 1.00 13.51 C ATOM 484 CE2 PHE A 34 -15.161 -2.729 -1.376 1.00 21.34 C ATOM 485 CZ PHE A 34 -14.080 -2.643 -2.233 1.00 43.14 C ATOM 0 H PHE A 34 -20.296 -2.308 -4.986 1.00 0.41 H new ATOM 0 HA PHE A 34 -17.663 -3.028 -5.734 1.00 1.31 H new ATOM 0 HB2 PHE A 34 -18.230 -1.274 -4.099 1.00 43.04 H new ATOM 0 HB3 PHE A 34 -18.781 -2.497 -2.971 1.00 43.04 H new ATOM 0 HD1 PHE A 34 -15.725 -2.208 -5.133 1.00 13.25 H new ATOM 0 HD2 PHE A 34 -17.286 -2.695 -1.202 1.00 62.21 H new ATOM 0 HE1 PHE A 34 -13.451 -2.399 -4.269 1.00 13.51 H new ATOM 0 HE2 PHE A 34 -15.002 -2.877 -0.318 1.00 21.34 H new ATOM 0 HZ PHE A 34 -13.075 -2.719 -1.846 1.00 43.14 H new ATOM 495 N ARG A 35 -19.414 -5.254 -4.183 1.00 31.32 N ATOM 496 CA ARG A 35 -19.547 -6.643 -3.887 1.00 52.15 C ATOM 497 C ARG A 35 -19.152 -7.494 -5.110 1.00 21.44 C ATOM 498 O ARG A 35 -18.302 -8.374 -5.001 1.00 73.30 O ATOM 499 CB ARG A 35 -20.977 -6.899 -3.531 1.00 31.55 C ATOM 500 CG ARG A 35 -21.273 -8.276 -3.049 1.00 64.33 C ATOM 501 CD ARG A 35 -22.720 -8.555 -3.263 1.00 34.44 C ATOM 502 NE ARG A 35 -23.013 -8.530 -4.710 1.00 3.22 N ATOM 503 CZ ARG A 35 -23.294 -9.612 -5.442 1.00 23.42 C ATOM 504 NH1 ARG A 35 -23.376 -10.812 -4.859 1.00 54.22 N ATOM 505 NH2 ARG A 35 -23.419 -9.495 -6.772 1.00 44.04 N ATOM 0 H ARG A 35 -20.287 -4.732 -4.103 1.00 31.32 H new ATOM 0 HA ARG A 35 -18.890 -6.914 -3.061 1.00 52.15 H new ATOM 0 HB2 ARG A 35 -21.275 -6.189 -2.760 1.00 31.55 H new ATOM 0 HB3 ARG A 35 -21.595 -6.697 -4.406 1.00 31.55 H new ATOM 0 HG2 ARG A 35 -20.664 -9.003 -3.586 1.00 64.33 H new ATOM 0 HG3 ARG A 35 -21.022 -8.369 -1.992 1.00 64.33 H new ATOM 0 HD2 ARG A 35 -22.981 -9.527 -2.844 1.00 34.44 H new ATOM 0 HD3 ARG A 35 -23.326 -7.812 -2.745 1.00 34.44 H new ATOM 0 HE ARG A 35 -23.000 -7.626 -5.183 1.00 3.22 H new ATOM 0 HH11 ARG A 35 -23.224 -10.902 -3.854 1.00 54.22 H new ATOM 0 HH12 ARG A 35 -23.591 -11.637 -5.419 1.00 54.22 H new ATOM 0 HH21 ARG A 35 -23.300 -8.585 -7.217 1.00 44.04 H new ATOM 0 HH22 ARG A 35 -23.633 -10.316 -7.338 1.00 44.04 H new ATOM 519 N SER A 36 -19.706 -7.158 -6.282 1.00 53.30 N ATOM 520 CA SER A 36 -19.476 -7.927 -7.499 1.00 20.32 C ATOM 521 C SER A 36 -18.013 -7.740 -7.929 1.00 21.10 C ATOM 522 O SER A 36 -17.352 -8.675 -8.446 1.00 70.12 O ATOM 523 CB SER A 36 -20.420 -7.435 -8.601 1.00 0.35 C ATOM 524 OG SER A 36 -21.765 -7.268 -8.118 1.00 42.30 O ATOM 0 H SER A 36 -20.319 -6.353 -6.407 1.00 53.30 H new ATOM 0 HA SER A 36 -19.670 -8.984 -7.320 1.00 20.32 H new ATOM 0 HB2 SER A 36 -20.055 -6.487 -8.995 1.00 0.35 H new ATOM 0 HB3 SER A 36 -20.416 -8.146 -9.427 1.00 0.35 H new ATOM 0 HG SER A 36 -22.161 -6.469 -8.524 1.00 42.30 H new ATOM 530 N CYS A 37 -17.520 -6.531 -7.688 1.00 12.03 N ATOM 531 CA CYS A 37 -16.143 -6.161 -7.906 1.00 32.31 C ATOM 532 C CYS A 37 -15.214 -7.095 -7.131 1.00 71.45 C ATOM 533 O CYS A 37 -14.325 -7.710 -7.713 1.00 54.21 O ATOM 534 CB CYS A 37 -15.926 -4.696 -7.472 1.00 51.41 C ATOM 535 SG CYS A 37 -14.214 -4.104 -7.542 1.00 22.13 S ATOM 0 H CYS A 37 -18.090 -5.766 -7.326 1.00 12.03 H new ATOM 0 HA CYS A 37 -15.910 -6.253 -8.967 1.00 32.31 H new ATOM 0 HB2 CYS A 37 -16.540 -4.054 -8.104 1.00 51.41 H new ATOM 0 HB3 CYS A 37 -16.290 -4.581 -6.451 1.00 51.41 H new ATOM 0 HG CYS A 37 -13.827 -4.042 -8.781 1.00 22.13 H new ATOM 541 N LEU A 38 -15.467 -7.255 -5.835 1.00 73.21 N ATOM 542 CA LEU A 38 -14.618 -8.080 -4.986 1.00 62.21 C ATOM 543 C LEU A 38 -14.694 -9.563 -5.334 1.00 73.11 C ATOM 544 O LEU A 38 -13.731 -10.313 -5.104 1.00 1.42 O ATOM 545 CB LEU A 38 -14.888 -7.844 -3.498 1.00 24.44 C ATOM 546 CG LEU A 38 -14.606 -6.433 -2.970 1.00 23.30 C ATOM 547 CD1 LEU A 38 -14.770 -6.385 -1.463 1.00 4.22 C ATOM 548 CD2 LEU A 38 -13.217 -5.959 -3.374 1.00 45.55 C ATOM 0 H LEU A 38 -16.254 -6.823 -5.351 1.00 73.21 H new ATOM 0 HA LEU A 38 -13.596 -7.762 -5.190 1.00 62.21 H new ATOM 0 HB2 LEU A 38 -15.933 -8.081 -3.299 1.00 24.44 H new ATOM 0 HB3 LEU A 38 -14.286 -8.550 -2.925 1.00 24.44 H new ATOM 0 HG LEU A 38 -15.333 -5.756 -3.420 1.00 23.30 H new ATOM 0 HD11 LEU A 38 -14.566 -5.375 -1.107 1.00 4.22 H new ATOM 0 HD12 LEU A 38 -15.790 -6.663 -1.199 1.00 4.22 H new ATOM 0 HD13 LEU A 38 -14.072 -7.082 -0.999 1.00 4.22 H new ATOM 0 HD21 LEU A 38 -13.047 -4.955 -2.984 1.00 45.55 H new ATOM 0 HD22 LEU A 38 -12.468 -6.638 -2.966 1.00 45.55 H new ATOM 0 HD23 LEU A 38 -13.140 -5.944 -4.461 1.00 45.55 H new ATOM 560 N SER A 39 -15.816 -9.995 -5.865 1.00 30.21 N ATOM 561 CA SER A 39 -15.949 -11.364 -6.305 1.00 21.22 C ATOM 562 C SER A 39 -15.062 -11.594 -7.530 1.00 44.14 C ATOM 563 O SER A 39 -14.222 -12.481 -7.545 1.00 13.23 O ATOM 564 CB SER A 39 -17.406 -11.656 -6.645 1.00 4.05 C ATOM 565 OG SER A 39 -18.250 -11.320 -5.562 1.00 70.31 O ATOM 0 H SER A 39 -16.647 -9.419 -6.002 1.00 30.21 H new ATOM 0 HA SER A 39 -15.634 -12.036 -5.507 1.00 21.22 H new ATOM 0 HB2 SER A 39 -17.698 -11.090 -7.529 1.00 4.05 H new ATOM 0 HB3 SER A 39 -17.523 -12.712 -6.889 1.00 4.05 H new ATOM 0 HG SER A 39 -18.292 -10.345 -5.471 1.00 70.31 H new ATOM 571 N SER A 40 -15.196 -10.722 -8.510 1.00 42.01 N ATOM 572 CA SER A 40 -14.467 -10.846 -9.758 1.00 4.34 C ATOM 573 C SER A 40 -12.970 -10.504 -9.578 1.00 51.01 C ATOM 574 O SER A 40 -12.137 -10.862 -10.400 1.00 41.42 O ATOM 575 CB SER A 40 -15.112 -9.938 -10.785 1.00 54.14 C ATOM 576 OG SER A 40 -16.518 -10.164 -10.833 1.00 72.52 O ATOM 0 H SER A 40 -15.811 -9.910 -8.465 1.00 42.01 H new ATOM 0 HA SER A 40 -14.513 -11.880 -10.099 1.00 4.34 H new ATOM 0 HB2 SER A 40 -14.913 -8.896 -10.535 1.00 54.14 H new ATOM 0 HB3 SER A 40 -14.674 -10.119 -11.767 1.00 54.14 H new ATOM 0 HG SER A 40 -16.949 -9.702 -10.084 1.00 72.52 H new ATOM 582 N MET A 41 -12.657 -9.802 -8.497 1.00 21.41 N ATOM 583 CA MET A 41 -11.279 -9.459 -8.151 1.00 40.14 C ATOM 584 C MET A 41 -10.575 -10.674 -7.545 1.00 1.32 C ATOM 585 O MET A 41 -9.352 -10.746 -7.517 1.00 45.04 O ATOM 586 CB MET A 41 -11.265 -8.288 -7.140 1.00 63.10 C ATOM 587 CG MET A 41 -9.872 -7.820 -6.707 1.00 55.42 C ATOM 588 SD MET A 41 -9.914 -6.502 -5.454 1.00 64.51 S ATOM 589 CE MET A 41 -10.761 -5.189 -6.349 1.00 74.31 C ATOM 0 H MET A 41 -13.349 -9.453 -7.834 1.00 21.41 H new ATOM 0 HA MET A 41 -10.752 -9.156 -9.056 1.00 40.14 H new ATOM 0 HB2 MET A 41 -11.795 -7.443 -7.579 1.00 63.10 H new ATOM 0 HB3 MET A 41 -11.823 -8.588 -6.253 1.00 63.10 H new ATOM 0 HG2 MET A 41 -9.317 -8.671 -6.311 1.00 55.42 H new ATOM 0 HG3 MET A 41 -9.328 -7.463 -7.582 1.00 55.42 H new ATOM 0 HE1 MET A 41 -10.540 -4.229 -5.882 1.00 74.31 H new ATOM 0 HE2 MET A 41 -10.420 -5.176 -7.384 1.00 74.31 H new ATOM 0 HE3 MET A 41 -11.836 -5.366 -6.323 1.00 74.31 H new ATOM 599 N GLY A 42 -11.364 -11.630 -7.082 1.00 62.32 N ATOM 600 CA GLY A 42 -10.806 -12.788 -6.422 1.00 14.41 C ATOM 601 C GLY A 42 -10.518 -12.486 -4.974 1.00 21.11 C ATOM 602 O GLY A 42 -9.686 -13.127 -4.345 1.00 72.40 O ATOM 0 H GLY A 42 -12.382 -11.624 -7.152 1.00 62.32 H new ATOM 0 HA2 GLY A 42 -11.502 -13.624 -6.493 1.00 14.41 H new ATOM 0 HA3 GLY A 42 -9.888 -13.093 -6.925 1.00 14.41 H new ATOM 606 N LEU A 43 -11.214 -11.493 -4.454 1.00 13.45 N ATOM 607 CA LEU A 43 -11.046 -11.076 -3.080 1.00 41.12 C ATOM 608 C LEU A 43 -11.968 -11.936 -2.250 1.00 42.23 C ATOM 609 O LEU A 43 -11.596 -12.469 -1.211 1.00 45.30 O ATOM 610 CB LEU A 43 -11.481 -9.600 -2.933 1.00 54.51 C ATOM 611 CG LEU A 43 -10.843 -8.737 -1.802 1.00 53.24 C ATOM 612 CD1 LEU A 43 -11.057 -9.312 -0.410 1.00 21.20 C ATOM 613 CD2 LEU A 43 -9.366 -8.480 -2.074 1.00 41.41 C ATOM 0 H LEU A 43 -11.909 -10.956 -4.972 1.00 13.45 H new ATOM 0 HA LEU A 43 -10.007 -11.176 -2.765 1.00 41.12 H new ATOM 0 HB2 LEU A 43 -11.281 -9.101 -3.881 1.00 54.51 H new ATOM 0 HB3 LEU A 43 -12.561 -9.587 -2.788 1.00 54.51 H new ATOM 0 HG LEU A 43 -11.368 -7.782 -1.816 1.00 53.24 H new ATOM 0 HD11 LEU A 43 -10.588 -8.662 0.328 1.00 21.20 H new ATOM 0 HD12 LEU A 43 -12.125 -9.381 -0.205 1.00 21.20 H new ATOM 0 HD13 LEU A 43 -10.612 -10.305 -0.354 1.00 21.20 H new ATOM 0 HD21 LEU A 43 -8.948 -7.876 -1.269 1.00 41.41 H new ATOM 0 HD22 LEU A 43 -8.835 -9.430 -2.128 1.00 41.41 H new ATOM 0 HD23 LEU A 43 -9.257 -7.949 -3.020 1.00 41.41 H new ATOM 625 N ILE A 44 -13.185 -12.064 -2.727 1.00 52.04 N ATOM 626 CA ILE A 44 -14.184 -12.802 -2.019 1.00 32.42 C ATOM 627 C ILE A 44 -14.758 -13.886 -2.913 1.00 45.43 C ATOM 628 O ILE A 44 -14.902 -13.685 -4.123 1.00 13.14 O ATOM 629 CB ILE A 44 -15.341 -11.880 -1.518 1.00 60.04 C ATOM 630 CG1 ILE A 44 -16.103 -11.258 -2.701 1.00 51.21 C ATOM 631 CG2 ILE A 44 -14.813 -10.798 -0.576 1.00 64.11 C ATOM 632 CD1 ILE A 44 -17.248 -10.363 -2.319 1.00 75.41 C ATOM 0 H ILE A 44 -13.500 -11.660 -3.609 1.00 52.04 H new ATOM 0 HA ILE A 44 -13.705 -13.249 -1.148 1.00 32.42 H new ATOM 0 HB ILE A 44 -16.041 -12.499 -0.957 1.00 60.04 H new ATOM 0 HG12 ILE A 44 -15.400 -10.685 -3.306 1.00 51.21 H new ATOM 0 HG13 ILE A 44 -16.484 -12.062 -3.331 1.00 51.21 H new ATOM 0 HG21 ILE A 44 -15.640 -10.171 -0.243 1.00 64.11 H new ATOM 0 HG22 ILE A 44 -14.341 -11.266 0.288 1.00 64.11 H new ATOM 0 HG23 ILE A 44 -14.081 -10.184 -1.101 1.00 64.11 H new ATOM 0 HD11 ILE A 44 -17.722 -9.973 -3.220 1.00 75.41 H new ATOM 0 HD12 ILE A 44 -17.978 -10.932 -1.742 1.00 75.41 H new ATOM 0 HD13 ILE A 44 -16.876 -9.534 -1.717 1.00 75.41 H new ATOM 644 N ASP A 45 -15.062 -15.012 -2.326 1.00 0.13 N ATOM 645 CA ASP A 45 -15.689 -16.115 -3.029 1.00 33.20 C ATOM 646 C ASP A 45 -16.653 -16.747 -2.031 1.00 2.50 C ATOM 647 O ASP A 45 -16.706 -16.305 -0.859 1.00 34.22 O ATOM 648 CB ASP A 45 -14.639 -17.145 -3.519 1.00 1.44 C ATOM 649 CG ASP A 45 -15.190 -18.109 -4.579 1.00 44.13 C ATOM 650 OD1 ASP A 45 -15.963 -19.022 -4.222 1.00 13.44 O ATOM 651 OD2 ASP A 45 -14.858 -17.944 -5.757 1.00 2.13 O ATOM 0 H ASP A 45 -14.883 -15.198 -1.339 1.00 0.13 H new ATOM 0 HA ASP A 45 -16.207 -15.769 -3.923 1.00 33.20 H new ATOM 0 HB2 ASP A 45 -13.782 -16.613 -3.931 1.00 1.44 H new ATOM 0 HB3 ASP A 45 -14.278 -17.720 -2.666 1.00 1.44 H new ATOM 656 N ILE A 46 -17.354 -17.762 -2.412 1.00 13.23 N ATOM 657 CA ILE A 46 -18.358 -18.341 -1.561 1.00 42.43 C ATOM 658 C ILE A 46 -17.727 -19.469 -0.779 1.00 5.34 C ATOM 659 O ILE A 46 -18.007 -20.651 -1.015 1.00 1.44 O ATOM 660 CB ILE A 46 -19.547 -18.900 -2.357 1.00 62.02 C ATOM 661 CG1 ILE A 46 -19.975 -17.924 -3.447 1.00 71.15 C ATOM 662 CG2 ILE A 46 -20.729 -19.175 -1.413 1.00 13.53 C ATOM 663 CD1 ILE A 46 -20.996 -18.508 -4.381 1.00 64.11 C ATOM 0 H ILE A 46 -17.253 -18.218 -3.319 1.00 13.23 H new ATOM 0 HA ILE A 46 -18.737 -17.557 -0.905 1.00 42.43 H new ATOM 0 HB ILE A 46 -19.236 -19.832 -2.828 1.00 62.02 H new ATOM 0 HG12 ILE A 46 -20.384 -17.026 -2.984 1.00 71.15 H new ATOM 0 HG13 ILE A 46 -19.099 -17.618 -4.019 1.00 71.15 H new ATOM 0 HG21 ILE A 46 -21.568 -19.571 -1.986 1.00 13.53 H new ATOM 0 HG22 ILE A 46 -20.430 -19.902 -0.658 1.00 13.53 H new ATOM 0 HG23 ILE A 46 -21.029 -18.247 -0.925 1.00 13.53 H new ATOM 0 HD11 ILE A 46 -21.263 -17.769 -5.136 1.00 64.11 H new ATOM 0 HD12 ILE A 46 -20.581 -19.390 -4.868 1.00 64.11 H new ATOM 0 HD13 ILE A 46 -21.886 -18.789 -3.818 1.00 64.11 H new ATOM 675 N ASP A 47 -16.816 -19.096 0.077 1.00 20.21 N ATOM 676 CA ASP A 47 -16.131 -20.060 0.938 1.00 24.04 C ATOM 677 C ASP A 47 -17.144 -20.667 1.896 1.00 52.41 C ATOM 678 O ASP A 47 -17.487 -21.858 1.807 1.00 23.02 O ATOM 679 CB ASP A 47 -14.974 -19.396 1.699 1.00 71.13 C ATOM 680 CG ASP A 47 -14.257 -20.345 2.648 1.00 3.24 C ATOM 681 OD1 ASP A 47 -13.287 -20.999 2.213 1.00 33.34 O ATOM 682 OD2 ASP A 47 -14.649 -20.410 3.833 1.00 75.11 O ATOM 0 H ASP A 47 -16.519 -18.129 0.208 1.00 20.21 H new ATOM 0 HA ASP A 47 -15.696 -20.850 0.325 1.00 24.04 H new ATOM 0 HB2 ASP A 47 -14.256 -18.999 0.981 1.00 71.13 H new ATOM 0 HB3 ASP A 47 -15.360 -18.549 2.266 1.00 71.13 H new ATOM 687 N PHE A 48 -17.659 -19.840 2.785 1.00 2.15 N ATOM 688 CA PHE A 48 -18.753 -20.246 3.610 1.00 14.03 C ATOM 689 C PHE A 48 -19.997 -20.267 2.734 1.00 51.03 C ATOM 690 O PHE A 48 -20.590 -19.222 2.423 1.00 51.11 O ATOM 691 CB PHE A 48 -18.926 -19.296 4.810 1.00 42.11 C ATOM 692 CG PHE A 48 -20.095 -19.627 5.709 1.00 2.44 C ATOM 693 CD1 PHE A 48 -20.014 -20.665 6.622 1.00 74.43 C ATOM 694 CD2 PHE A 48 -21.276 -18.898 5.633 1.00 54.11 C ATOM 695 CE1 PHE A 48 -21.085 -20.971 7.441 1.00 22.14 C ATOM 696 CE2 PHE A 48 -22.348 -19.201 6.448 1.00 1.42 C ATOM 697 CZ PHE A 48 -22.253 -20.238 7.355 1.00 43.25 C ATOM 0 H PHE A 48 -17.331 -18.888 2.946 1.00 2.15 H new ATOM 0 HA PHE A 48 -18.570 -21.236 4.027 1.00 14.03 H new ATOM 0 HB2 PHE A 48 -18.012 -19.311 5.404 1.00 42.11 H new ATOM 0 HB3 PHE A 48 -19.047 -18.279 4.437 1.00 42.11 H new ATOM 0 HD1 PHE A 48 -19.104 -21.242 6.695 1.00 74.43 H new ATOM 0 HD2 PHE A 48 -21.356 -18.084 4.927 1.00 54.11 H new ATOM 0 HE1 PHE A 48 -21.009 -21.783 8.148 1.00 22.14 H new ATOM 0 HE2 PHE A 48 -23.260 -18.628 6.376 1.00 1.42 H new ATOM 0 HZ PHE A 48 -23.090 -20.475 7.995 1.00 43.25 H new ATOM 707 N THR A 49 -20.337 -21.437 2.292 1.00 50.45 N ATOM 708 CA THR A 49 -21.442 -21.627 1.422 1.00 31.31 C ATOM 709 C THR A 49 -22.653 -22.127 2.218 1.00 72.41 C ATOM 710 O THR A 49 -22.527 -22.517 3.387 1.00 43.52 O ATOM 711 CB THR A 49 -21.064 -22.602 0.257 1.00 34.43 C ATOM 712 OG1 THR A 49 -22.102 -22.644 -0.735 1.00 21.50 O ATOM 713 CG2 THR A 49 -20.793 -24.017 0.773 1.00 53.44 C ATOM 0 H THR A 49 -19.844 -22.297 2.532 1.00 50.45 H new ATOM 0 HA THR A 49 -21.711 -20.673 0.968 1.00 31.31 H new ATOM 0 HB THR A 49 -20.150 -22.218 -0.197 1.00 34.43 H new ATOM 0 HG1 THR A 49 -21.843 -23.258 -1.454 1.00 21.50 H new ATOM 0 HG21 THR A 49 -20.534 -24.666 -0.064 1.00 53.44 H new ATOM 0 HG22 THR A 49 -19.967 -23.993 1.483 1.00 53.44 H new ATOM 0 HG23 THR A 49 -21.685 -24.401 1.267 1.00 53.44 H new ATOM 721 N GLY A 50 -23.805 -22.080 1.602 1.00 70.54 N ATOM 722 CA GLY A 50 -25.028 -22.490 2.238 1.00 41.30 C ATOM 723 C GLY A 50 -25.977 -21.348 2.197 1.00 52.24 C ATOM 724 O GLY A 50 -27.177 -21.508 2.002 1.00 62.11 O ATOM 0 H GLY A 50 -23.921 -21.755 0.642 1.00 70.54 H new ATOM 0 HA2 GLY A 50 -25.451 -23.355 1.727 1.00 41.30 H new ATOM 0 HA3 GLY A 50 -24.839 -22.790 3.269 1.00 41.30 H new ATOM 728 N GLY A 51 -25.415 -20.190 2.382 1.00 44.31 N ATOM 729 CA GLY A 51 -26.134 -18.976 2.261 1.00 3.20 C ATOM 730 C GLY A 51 -25.659 -18.240 1.042 1.00 33.11 C ATOM 731 O GLY A 51 -25.167 -18.855 0.090 1.00 14.21 O ATOM 0 H GLY A 51 -24.431 -20.071 2.624 1.00 44.31 H new ATOM 0 HA2 GLY A 51 -27.202 -19.178 2.185 1.00 3.20 H new ATOM 0 HA3 GLY A 51 -25.988 -18.363 3.150 1.00 3.20 H new ATOM 735 N GLU A 52 -25.755 -16.954 1.082 1.00 72.44 N ATOM 736 CA GLU A 52 -25.330 -16.114 -0.008 1.00 50.33 C ATOM 737 C GLU A 52 -23.907 -15.609 0.253 1.00 25.21 C ATOM 738 O GLU A 52 -23.269 -16.011 1.248 1.00 2.12 O ATOM 739 CB GLU A 52 -26.310 -14.962 -0.129 1.00 20.01 C ATOM 740 CG GLU A 52 -26.407 -14.113 1.133 1.00 44.41 C ATOM 741 CD GLU A 52 -27.518 -13.107 1.071 1.00 63.20 C ATOM 742 OE1 GLU A 52 -27.329 -12.056 0.453 1.00 50.24 O ATOM 743 OE2 GLU A 52 -28.584 -13.384 1.646 1.00 20.32 O ATOM 0 H GLU A 52 -26.134 -16.442 1.878 1.00 72.44 H new ATOM 0 HA GLU A 52 -25.316 -16.672 -0.944 1.00 50.33 H new ATOM 0 HB2 GLU A 52 -26.011 -14.327 -0.963 1.00 20.01 H new ATOM 0 HB3 GLU A 52 -27.297 -15.358 -0.368 1.00 20.01 H new ATOM 0 HG2 GLU A 52 -26.560 -14.765 1.993 1.00 44.41 H new ATOM 0 HG3 GLU A 52 -25.461 -13.594 1.290 1.00 44.41 H new ATOM 750 N ASP A 53 -23.424 -14.707 -0.584 1.00 71.11 N ATOM 751 CA ASP A 53 -22.069 -14.148 -0.474 1.00 51.34 C ATOM 752 C ASP A 53 -21.964 -13.065 0.618 1.00 12.15 C ATOM 753 O ASP A 53 -21.216 -12.085 0.500 1.00 43.24 O ATOM 754 CB ASP A 53 -21.561 -13.637 -1.841 1.00 13.34 C ATOM 755 CG ASP A 53 -22.499 -12.664 -2.523 1.00 2.33 C ATOM 756 OD1 ASP A 53 -23.434 -13.121 -3.205 1.00 60.34 O ATOM 757 OD2 ASP A 53 -22.296 -11.446 -2.428 1.00 1.13 O ATOM 0 H ASP A 53 -23.958 -14.333 -1.368 1.00 71.11 H new ATOM 0 HA ASP A 53 -21.415 -14.962 -0.161 1.00 51.34 H new ATOM 0 HB2 ASP A 53 -20.594 -13.155 -1.700 1.00 13.34 H new ATOM 0 HB3 ASP A 53 -21.399 -14.491 -2.499 1.00 13.34 H new ATOM 762 N ALA A 54 -22.594 -13.364 1.764 1.00 12.33 N ATOM 763 CA ALA A 54 -22.621 -12.512 2.972 1.00 64.14 C ATOM 764 C ALA A 54 -21.208 -12.319 3.552 1.00 41.31 C ATOM 765 O ALA A 54 -20.988 -11.517 4.483 1.00 51.32 O ATOM 766 CB ALA A 54 -23.547 -13.115 4.018 1.00 63.02 C ATOM 0 H ALA A 54 -23.116 -14.232 1.884 1.00 12.33 H new ATOM 0 HA ALA A 54 -23.000 -11.531 2.686 1.00 64.14 H new ATOM 0 HB1 ALA A 54 -23.559 -12.479 4.903 1.00 63.02 H new ATOM 0 HB2 ALA A 54 -24.556 -13.190 3.611 1.00 63.02 H new ATOM 0 HB3 ALA A 54 -23.191 -14.109 4.290 1.00 63.02 H new ATOM 772 N GLN A 55 -20.264 -13.083 3.008 1.00 33.25 N ATOM 773 CA GLN A 55 -18.856 -12.955 3.330 1.00 74.21 C ATOM 774 C GLN A 55 -18.420 -11.522 3.063 1.00 64.22 C ATOM 775 O GLN A 55 -17.668 -10.941 3.835 1.00 65.42 O ATOM 776 CB GLN A 55 -18.028 -13.922 2.480 1.00 71.41 C ATOM 777 CG GLN A 55 -18.338 -15.394 2.719 1.00 20.32 C ATOM 778 CD GLN A 55 -18.056 -15.820 4.147 1.00 51.33 C ATOM 779 OE1 GLN A 55 -16.964 -16.218 4.469 1.00 30.43 O ATOM 780 NE2 GLN A 55 -19.050 -15.759 5.000 1.00 72.41 N ATOM 0 H GLN A 55 -20.463 -13.814 2.325 1.00 33.25 H new ATOM 0 HA GLN A 55 -18.698 -13.200 4.380 1.00 74.21 H new ATOM 0 HB2 GLN A 55 -18.194 -13.695 1.427 1.00 71.41 H new ATOM 0 HB3 GLN A 55 -16.971 -13.749 2.680 1.00 71.41 H new ATOM 0 HG2 GLN A 55 -19.386 -15.584 2.486 1.00 20.32 H new ATOM 0 HG3 GLN A 55 -17.744 -16.003 2.037 1.00 20.32 H new ATOM 0 HE21 GLN A 55 -19.962 -15.418 4.697 1.00 72.41 H new ATOM 0 HE22 GLN A 55 -18.911 -16.053 5.967 1.00 72.41 H new ATOM 789 N TYR A 56 -18.942 -10.945 1.970 1.00 13.21 N ATOM 790 CA TYR A 56 -18.686 -9.553 1.659 1.00 71.51 C ATOM 791 C TYR A 56 -19.280 -8.700 2.701 1.00 53.41 C ATOM 792 O TYR A 56 -18.651 -7.767 3.141 1.00 11.31 O ATOM 793 CB TYR A 56 -19.321 -9.126 0.335 1.00 63.53 C ATOM 794 CG TYR A 56 -19.290 -7.595 0.073 1.00 31.52 C ATOM 795 CD1 TYR A 56 -20.213 -6.713 0.688 1.00 53.10 C ATOM 796 CD2 TYR A 56 -18.398 -7.046 -0.819 1.00 53.22 C ATOM 797 CE1 TYR A 56 -20.218 -5.400 0.411 1.00 23.41 C ATOM 798 CE2 TYR A 56 -18.403 -5.685 -1.078 1.00 34.34 C ATOM 799 CZ TYR A 56 -19.323 -4.877 -0.455 1.00 51.03 C ATOM 800 OH TYR A 56 -19.360 -3.533 -0.712 1.00 70.11 O ATOM 0 H TYR A 56 -19.539 -11.427 1.298 1.00 13.21 H new ATOM 0 HA TYR A 56 -17.603 -9.442 1.597 1.00 71.51 H new ATOM 0 HB2 TYR A 56 -18.806 -9.633 -0.481 1.00 63.53 H new ATOM 0 HB3 TYR A 56 -20.357 -9.465 0.317 1.00 63.53 H new ATOM 0 HD1 TYR A 56 -20.928 -7.106 1.395 1.00 53.10 H new ATOM 0 HD2 TYR A 56 -17.686 -7.683 -1.323 1.00 53.22 H new ATOM 0 HE1 TYR A 56 -20.944 -4.756 0.885 1.00 23.41 H new ATOM 0 HE2 TYR A 56 -17.687 -5.261 -1.767 1.00 34.34 H new ATOM 0 HH TYR A 56 -19.950 -3.362 -1.475 1.00 70.11 H new ATOM 810 N ASP A 57 -20.535 -8.994 3.036 1.00 11.14 N ATOM 811 CA ASP A 57 -21.324 -8.158 3.929 1.00 2.01 C ATOM 812 C ASP A 57 -20.566 -7.888 5.184 1.00 4.01 C ATOM 813 O ASP A 57 -20.348 -6.741 5.523 1.00 1.23 O ATOM 814 CB ASP A 57 -22.697 -8.764 4.224 1.00 41.24 C ATOM 815 CG ASP A 57 -23.592 -7.790 4.962 1.00 74.01 C ATOM 816 OD1 ASP A 57 -24.078 -6.830 4.320 1.00 20.11 O ATOM 817 OD2 ASP A 57 -23.808 -7.953 6.162 1.00 45.22 O ATOM 0 H ASP A 57 -21.030 -9.818 2.695 1.00 11.14 H new ATOM 0 HA ASP A 57 -21.507 -7.210 3.423 1.00 2.01 H new ATOM 0 HB2 ASP A 57 -23.173 -9.059 3.289 1.00 41.24 H new ATOM 0 HB3 ASP A 57 -22.575 -9.669 4.819 1.00 41.24 H new ATOM 822 N ALA A 58 -20.042 -8.944 5.791 1.00 13.21 N ATOM 823 CA ALA A 58 -19.234 -8.800 7.001 1.00 33.45 C ATOM 824 C ALA A 58 -17.967 -7.938 6.765 1.00 11.43 C ATOM 825 O ALA A 58 -17.532 -7.211 7.653 1.00 52.20 O ATOM 826 CB ALA A 58 -18.866 -10.155 7.568 1.00 54.00 C ATOM 0 H ALA A 58 -20.159 -9.905 5.470 1.00 13.21 H new ATOM 0 HA ALA A 58 -19.847 -8.272 7.732 1.00 33.45 H new ATOM 0 HB1 ALA A 58 -18.265 -10.022 8.468 1.00 54.00 H new ATOM 0 HB2 ALA A 58 -19.774 -10.704 7.816 1.00 54.00 H new ATOM 0 HB3 ALA A 58 -18.294 -10.715 6.829 1.00 54.00 H new ATOM 832 N ILE A 59 -17.401 -8.012 5.569 1.00 11.21 N ATOM 833 CA ILE A 59 -16.225 -7.213 5.206 1.00 54.22 C ATOM 834 C ILE A 59 -16.613 -5.737 5.029 1.00 22.20 C ATOM 835 O ILE A 59 -15.991 -4.857 5.623 1.00 74.12 O ATOM 836 CB ILE A 59 -15.524 -7.753 3.916 1.00 35.54 C ATOM 837 CG1 ILE A 59 -14.973 -9.167 4.174 1.00 4.15 C ATOM 838 CG2 ILE A 59 -14.410 -6.805 3.439 1.00 72.31 C ATOM 839 CD1 ILE A 59 -14.308 -9.812 2.975 1.00 2.41 C ATOM 0 H ILE A 59 -17.736 -8.621 4.823 1.00 11.21 H new ATOM 0 HA ILE A 59 -15.509 -7.297 6.024 1.00 54.22 H new ATOM 0 HB ILE A 59 -16.265 -7.803 3.118 1.00 35.54 H new ATOM 0 HG12 ILE A 59 -14.253 -9.119 4.991 1.00 4.15 H new ATOM 0 HG13 ILE A 59 -15.790 -9.806 4.507 1.00 4.15 H new ATOM 0 HG21 ILE A 59 -13.945 -7.212 2.541 1.00 72.31 H new ATOM 0 HG22 ILE A 59 -14.836 -5.827 3.216 1.00 72.31 H new ATOM 0 HG23 ILE A 59 -13.659 -6.703 4.222 1.00 72.31 H new ATOM 0 HD11 ILE A 59 -13.950 -10.805 3.248 1.00 2.41 H new ATOM 0 HD12 ILE A 59 -15.028 -9.897 2.161 1.00 2.41 H new ATOM 0 HD13 ILE A 59 -13.467 -9.199 2.652 1.00 2.41 H new ATOM 851 N TYR A 60 -17.660 -5.480 4.234 1.00 61.22 N ATOM 852 CA TYR A 60 -18.172 -4.122 4.021 1.00 12.30 C ATOM 853 C TYR A 60 -18.519 -3.520 5.321 1.00 53.43 C ATOM 854 O TYR A 60 -18.132 -2.401 5.613 1.00 54.13 O ATOM 855 CB TYR A 60 -19.425 -4.113 3.152 1.00 72.01 C ATOM 856 CG TYR A 60 -20.192 -2.790 3.189 1.00 65.11 C ATOM 857 CD1 TYR A 60 -19.856 -1.726 2.365 1.00 20.34 C ATOM 858 CD2 TYR A 60 -21.238 -2.611 4.095 1.00 63.42 C ATOM 859 CE1 TYR A 60 -20.548 -0.530 2.448 1.00 61.23 C ATOM 860 CE2 TYR A 60 -21.914 -1.434 4.185 1.00 42.34 C ATOM 861 CZ TYR A 60 -21.575 -0.398 3.368 1.00 21.22 C ATOM 862 OH TYR A 60 -22.255 0.777 3.478 1.00 61.04 O ATOM 0 H TYR A 60 -18.171 -6.201 3.725 1.00 61.22 H new ATOM 0 HA TYR A 60 -17.389 -3.557 3.515 1.00 12.30 H new ATOM 0 HB2 TYR A 60 -19.143 -4.330 2.122 1.00 72.01 H new ATOM 0 HB3 TYR A 60 -20.087 -4.915 3.477 1.00 72.01 H new ATOM 0 HD1 TYR A 60 -19.050 -1.831 1.654 1.00 20.34 H new ATOM 0 HD2 TYR A 60 -21.518 -3.429 4.742 1.00 63.42 H new ATOM 0 HE1 TYR A 60 -20.289 0.294 1.800 1.00 61.23 H new ATOM 0 HE2 TYR A 60 -22.715 -1.321 4.900 1.00 42.34 H new ATOM 0 HH TYR A 60 -22.943 0.693 4.171 1.00 61.04 H new ATOM 872 N ASN A 61 -19.283 -4.268 6.085 1.00 72.25 N ATOM 873 CA ASN A 61 -19.692 -3.820 7.444 1.00 22.31 C ATOM 874 C ASN A 61 -18.490 -3.386 8.301 1.00 0.25 C ATOM 875 O ASN A 61 -18.631 -2.588 9.204 1.00 33.43 O ATOM 876 CB ASN A 61 -20.529 -4.878 8.187 1.00 22.03 C ATOM 877 CG ASN A 61 -21.872 -5.164 7.527 1.00 15.50 C ATOM 878 OD1 ASN A 61 -22.462 -4.306 6.841 1.00 12.42 O ATOM 879 ND2 ASN A 61 -22.367 -6.353 7.739 1.00 61.44 N ATOM 0 H ASN A 61 -19.643 -5.183 5.814 1.00 72.25 H new ATOM 0 HA ASN A 61 -20.326 -2.947 7.288 1.00 22.31 H new ATOM 0 HB2 ASN A 61 -19.958 -5.805 8.247 1.00 22.03 H new ATOM 0 HB3 ASN A 61 -20.700 -4.542 9.210 1.00 22.03 H new ATOM 0 HD21 ASN A 61 -23.269 -6.609 7.337 1.00 61.44 H new ATOM 0 HD22 ASN A 61 -21.852 -7.026 8.307 1.00 61.44 H new ATOM 886 N ASN A 62 -17.313 -3.929 8.006 1.00 15.51 N ATOM 887 CA ASN A 62 -16.083 -3.525 8.681 1.00 51.25 C ATOM 888 C ASN A 62 -15.353 -2.380 7.962 1.00 41.43 C ATOM 889 O ASN A 62 -14.575 -1.656 8.592 1.00 51.01 O ATOM 890 CB ASN A 62 -15.130 -4.705 8.929 1.00 61.04 C ATOM 891 CG ASN A 62 -15.502 -5.529 10.155 1.00 61.24 C ATOM 892 OD1 ASN A 62 -15.042 -5.258 11.252 1.00 31.41 O ATOM 893 ND2 ASN A 62 -16.324 -6.531 9.986 1.00 31.53 N ATOM 0 H ASN A 62 -17.184 -4.654 7.300 1.00 15.51 H new ATOM 0 HA ASN A 62 -16.402 -3.147 9.652 1.00 51.25 H new ATOM 0 HB2 ASN A 62 -15.127 -5.352 8.052 1.00 61.04 H new ATOM 0 HB3 ASN A 62 -14.115 -4.325 9.049 1.00 61.04 H new ATOM 0 HD21 ASN A 62 -16.595 -7.108 10.782 1.00 31.53 H new ATOM 0 HD22 ASN A 62 -16.694 -6.736 9.058 1.00 31.53 H new ATOM 900 N VAL A 63 -15.565 -2.217 6.638 1.00 43.22 N ATOM 901 CA VAL A 63 -14.915 -1.102 5.902 1.00 61.24 C ATOM 902 C VAL A 63 -15.539 0.220 6.334 1.00 63.35 C ATOM 903 O VAL A 63 -14.879 1.259 6.363 1.00 14.34 O ATOM 904 CB VAL A 63 -14.958 -1.212 4.313 1.00 74.25 C ATOM 905 CG1 VAL A 63 -14.693 -2.595 3.809 1.00 63.52 C ATOM 906 CG2 VAL A 63 -16.207 -0.631 3.656 1.00 23.13 C ATOM 0 H VAL A 63 -16.160 -2.819 6.069 1.00 43.22 H new ATOM 0 HA VAL A 63 -13.859 -1.160 6.166 1.00 61.24 H new ATOM 0 HB VAL A 63 -14.131 -0.573 4.004 1.00 74.25 H new ATOM 0 HG11 VAL A 63 -14.737 -2.600 2.720 1.00 63.52 H new ATOM 0 HG12 VAL A 63 -13.704 -2.917 4.134 1.00 63.52 H new ATOM 0 HG13 VAL A 63 -15.445 -3.277 4.206 1.00 63.52 H new ATOM 0 HG21 VAL A 63 -16.140 -0.755 2.575 1.00 23.13 H new ATOM 0 HG22 VAL A 63 -17.089 -1.152 4.027 1.00 23.13 H new ATOM 0 HG23 VAL A 63 -16.284 0.429 3.896 1.00 23.13 H new ATOM 916 N THR A 64 -16.808 0.167 6.633 1.00 61.54 N ATOM 917 CA THR A 64 -17.525 1.289 7.123 1.00 44.41 C ATOM 918 C THR A 64 -17.462 1.289 8.628 1.00 35.33 C ATOM 919 O THR A 64 -17.811 0.298 9.255 1.00 3.32 O ATOM 920 CB THR A 64 -18.966 1.230 6.627 1.00 72.21 C ATOM 921 OG1 THR A 64 -19.531 -0.065 6.927 1.00 34.43 O ATOM 922 CG2 THR A 64 -18.978 1.442 5.138 1.00 62.23 C ATOM 0 H THR A 64 -17.373 -0.677 6.538 1.00 61.54 H new ATOM 0 HA THR A 64 -17.081 2.215 6.756 1.00 44.41 H new ATOM 0 HB THR A 64 -19.555 2.004 7.120 1.00 72.21 H new ATOM 0 HG1 THR A 64 -19.099 -0.433 7.726 1.00 34.43 H new ATOM 0 HG21 THR A 64 -20.004 1.402 4.773 1.00 62.23 H new ATOM 0 HG22 THR A 64 -18.548 2.416 4.906 1.00 62.23 H new ATOM 0 HG23 THR A 64 -18.390 0.662 4.655 1.00 62.23 H new ATOM 930 N LYS A 65 -16.995 2.352 9.203 1.00 33.14 N ATOM 931 CA LYS A 65 -16.854 2.404 10.637 1.00 62.22 C ATOM 932 C LYS A 65 -18.147 2.989 11.207 1.00 52.41 C ATOM 933 O LYS A 65 -18.733 2.456 12.150 1.00 64.02 O ATOM 934 CB LYS A 65 -15.616 3.248 11.009 1.00 25.51 C ATOM 935 CG LYS A 65 -14.407 3.023 10.069 1.00 64.31 C ATOM 936 CD LYS A 65 -13.915 1.563 10.011 1.00 43.42 C ATOM 937 CE LYS A 65 -13.002 1.366 8.793 1.00 54.13 C ATOM 938 NZ LYS A 65 -12.431 0.000 8.678 1.00 71.34 N ATOM 0 H LYS A 65 -16.704 3.196 8.710 1.00 33.14 H new ATOM 0 HA LYS A 65 -16.697 1.412 11.060 1.00 62.22 H new ATOM 0 HB2 LYS A 65 -15.888 4.303 10.991 1.00 25.51 H new ATOM 0 HB3 LYS A 65 -15.320 3.012 12.031 1.00 25.51 H new ATOM 0 HG2 LYS A 65 -14.679 3.343 9.063 1.00 64.31 H new ATOM 0 HG3 LYS A 65 -13.584 3.659 10.395 1.00 64.31 H new ATOM 0 HD2 LYS A 65 -13.375 1.316 10.925 1.00 43.42 H new ATOM 0 HD3 LYS A 65 -14.767 0.885 9.951 1.00 43.42 H new ATOM 0 HE2 LYS A 65 -13.568 1.589 7.888 1.00 54.13 H new ATOM 0 HE3 LYS A 65 -12.186 2.086 8.844 1.00 54.13 H new ATOM 0 HZ1 LYS A 65 -12.151 -0.177 7.692 1.00 71.34 H new ATOM 0 HZ2 LYS A 65 -11.597 -0.081 9.294 1.00 71.34 H new ATOM 0 HZ3 LYS A 65 -13.144 -0.700 8.967 1.00 71.34 H new ATOM 952 N GLY A 66 -18.564 4.091 10.627 1.00 34.22 N ATOM 953 CA GLY A 66 -19.849 4.681 10.910 1.00 15.10 C ATOM 954 C GLY A 66 -20.375 5.376 9.667 1.00 75.25 C ATOM 955 O GLY A 66 -21.227 6.261 9.737 1.00 10.12 O ATOM 0 H GLY A 66 -18.015 4.607 9.939 1.00 34.22 H new ATOM 0 HA2 GLY A 66 -20.550 3.912 11.233 1.00 15.10 H new ATOM 0 HA3 GLY A 66 -19.760 5.395 11.728 1.00 15.10 H new ATOM 959 N GLU A 67 -19.866 4.945 8.528 1.00 14.12 N ATOM 960 CA GLU A 67 -20.167 5.548 7.239 1.00 22.15 C ATOM 961 C GLU A 67 -20.977 4.542 6.387 1.00 21.40 C ATOM 962 O GLU A 67 -21.292 3.445 6.861 1.00 72.33 O ATOM 963 CB GLU A 67 -18.878 5.939 6.479 1.00 73.00 C ATOM 964 CG GLU A 67 -17.747 6.614 7.277 1.00 45.10 C ATOM 965 CD GLU A 67 -17.027 5.652 8.209 1.00 44.21 C ATOM 966 OE1 GLU A 67 -16.556 4.585 7.748 1.00 43.24 O ATOM 967 OE2 GLU A 67 -16.999 5.890 9.405 1.00 4.21 O ATOM 0 H GLU A 67 -19.223 4.156 8.469 1.00 14.12 H new ATOM 0 HA GLU A 67 -20.745 6.456 7.413 1.00 22.15 H new ATOM 0 HB2 GLU A 67 -18.472 5.036 6.022 1.00 73.00 H new ATOM 0 HB3 GLU A 67 -19.159 6.609 5.666 1.00 73.00 H new ATOM 0 HG2 GLU A 67 -17.027 7.047 6.582 1.00 45.10 H new ATOM 0 HG3 GLU A 67 -18.161 7.436 7.860 1.00 45.10 H new ATOM 974 N ASN A 68 -21.318 4.907 5.151 1.00 43.41 N ATOM 975 CA ASN A 68 -22.126 4.036 4.279 1.00 0.34 C ATOM 976 C ASN A 68 -21.660 4.153 2.823 1.00 74.33 C ATOM 977 O ASN A 68 -21.692 5.230 2.241 1.00 35.14 O ATOM 978 CB ASN A 68 -23.637 4.413 4.409 1.00 63.22 C ATOM 979 CG ASN A 68 -24.658 3.511 3.643 1.00 31.15 C ATOM 980 OD1 ASN A 68 -25.764 3.303 4.120 1.00 24.30 O ATOM 981 ND2 ASN A 68 -24.337 3.026 2.460 1.00 74.10 N ATOM 0 H ASN A 68 -21.051 5.795 4.727 1.00 43.41 H new ATOM 0 HA ASN A 68 -21.995 3.000 4.592 1.00 0.34 H new ATOM 0 HB2 ASN A 68 -23.900 4.401 5.467 1.00 63.22 H new ATOM 0 HB3 ASN A 68 -23.762 5.438 4.061 1.00 63.22 H new ATOM 0 HD21 ASN A 68 -25.014 2.472 1.935 1.00 74.10 H new ATOM 0 HD22 ASN A 68 -23.412 3.205 2.070 1.00 74.10 H new ATOM 988 N GLY A 69 -21.264 3.025 2.241 1.00 22.42 N ATOM 989 CA GLY A 69 -20.844 2.976 0.859 1.00 50.21 C ATOM 990 C GLY A 69 -19.384 2.769 0.810 1.00 3.12 C ATOM 991 O GLY A 69 -18.786 2.458 1.828 1.00 65.33 O ATOM 0 H GLY A 69 -21.228 2.125 2.720 1.00 22.42 H new ATOM 0 HA2 GLY A 69 -21.357 2.168 0.338 1.00 50.21 H new ATOM 0 HA3 GLY A 69 -21.111 3.903 0.351 1.00 50.21 H new ATOM 995 N VAL A 70 -18.801 2.849 -0.348 1.00 31.24 N ATOM 996 CA VAL A 70 -17.375 2.896 -0.419 1.00 44.21 C ATOM 997 C VAL A 70 -17.005 4.054 -1.296 1.00 71.41 C ATOM 998 O VAL A 70 -16.984 3.980 -2.507 1.00 0.52 O ATOM 999 CB VAL A 70 -16.721 1.560 -0.876 1.00 23.31 C ATOM 1000 CG1 VAL A 70 -16.620 0.592 0.292 1.00 60.03 C ATOM 1001 CG2 VAL A 70 -17.555 0.935 -1.941 1.00 12.51 C ATOM 0 H VAL A 70 -19.285 2.883 -1.245 1.00 31.24 H new ATOM 0 HA VAL A 70 -16.974 3.040 0.584 1.00 44.21 H new ATOM 0 HB VAL A 70 -15.722 1.776 -1.256 1.00 23.31 H new ATOM 0 HG11 VAL A 70 -16.160 -0.337 -0.044 1.00 60.03 H new ATOM 0 HG12 VAL A 70 -16.010 1.034 1.079 1.00 60.03 H new ATOM 0 HG13 VAL A 70 -17.617 0.384 0.680 1.00 60.03 H new ATOM 0 HG21 VAL A 70 -17.096 -0.001 -2.260 1.00 12.51 H new ATOM 0 HG22 VAL A 70 -18.553 0.735 -1.551 1.00 12.51 H new ATOM 0 HG23 VAL A 70 -17.627 1.613 -2.792 1.00 12.51 H new ATOM 1011 N SER A 71 -16.737 5.111 -0.654 1.00 22.42 N ATOM 1012 CA SER A 71 -16.513 6.371 -1.245 1.00 42.41 C ATOM 1013 C SER A 71 -15.057 6.807 -1.120 1.00 12.44 C ATOM 1014 O SER A 71 -14.210 6.000 -0.771 1.00 53.24 O ATOM 1015 CB SER A 71 -17.460 7.272 -0.520 1.00 60.54 C ATOM 1016 OG SER A 71 -17.410 6.953 0.858 1.00 11.15 O ATOM 0 H SER A 71 -16.662 5.129 0.363 1.00 22.42 H new ATOM 0 HA SER A 71 -16.690 6.377 -2.321 1.00 42.41 H new ATOM 0 HB2 SER A 71 -17.188 8.315 -0.678 1.00 60.54 H new ATOM 0 HB3 SER A 71 -18.473 7.145 -0.903 1.00 60.54 H new ATOM 0 HG SER A 71 -17.911 7.624 1.367 1.00 11.15 H new ATOM 1022 N PHE A 72 -14.760 8.072 -1.431 1.00 33.43 N ATOM 1023 CA PHE A 72 -13.394 8.607 -1.304 1.00 43.42 C ATOM 1024 C PHE A 72 -12.866 8.380 0.115 1.00 21.32 C ATOM 1025 O PHE A 72 -11.683 8.194 0.330 1.00 1.11 O ATOM 1026 CB PHE A 72 -13.355 10.101 -1.646 1.00 34.12 C ATOM 1027 CG PHE A 72 -13.774 10.423 -3.056 1.00 43.53 C ATOM 1028 CD1 PHE A 72 -12.889 10.257 -4.110 1.00 41.12 C ATOM 1029 CD2 PHE A 72 -15.049 10.892 -3.327 1.00 13.33 C ATOM 1030 CE1 PHE A 72 -13.269 10.554 -5.405 1.00 43.43 C ATOM 1031 CE2 PHE A 72 -15.435 11.191 -4.620 1.00 1.55 C ATOM 1032 CZ PHE A 72 -14.543 11.023 -5.660 1.00 21.33 C ATOM 0 H PHE A 72 -15.444 8.747 -1.773 1.00 33.43 H new ATOM 0 HA PHE A 72 -12.756 8.077 -2.011 1.00 43.42 H new ATOM 0 HB2 PHE A 72 -14.005 10.638 -0.954 1.00 34.12 H new ATOM 0 HB3 PHE A 72 -12.343 10.473 -1.486 1.00 34.12 H new ATOM 0 HD1 PHE A 72 -11.891 9.891 -3.917 1.00 41.12 H new ATOM 0 HD2 PHE A 72 -15.751 11.026 -2.517 1.00 13.33 H new ATOM 0 HE1 PHE A 72 -12.570 10.419 -6.217 1.00 43.43 H new ATOM 0 HE2 PHE A 72 -16.433 11.555 -4.816 1.00 1.55 H new ATOM 0 HZ PHE A 72 -14.841 11.258 -6.671 1.00 21.33 H new ATOM 1042 N ASP A 73 -13.759 8.420 1.058 1.00 61.31 N ATOM 1043 CA ASP A 73 -13.463 8.093 2.422 1.00 33.53 C ATOM 1044 C ASP A 73 -13.463 6.550 2.638 1.00 21.53 C ATOM 1045 O ASP A 73 -12.402 5.955 2.756 1.00 63.02 O ATOM 1046 CB ASP A 73 -14.456 8.818 3.351 1.00 2.02 C ATOM 1047 CG ASP A 73 -15.887 8.609 2.910 1.00 4.24 C ATOM 1048 OD1 ASP A 73 -16.295 9.206 1.881 1.00 13.13 O ATOM 1049 OD2 ASP A 73 -16.561 7.777 3.482 1.00 53.33 O ATOM 0 H ASP A 73 -14.731 8.685 0.899 1.00 61.31 H new ATOM 0 HA ASP A 73 -12.459 8.437 2.670 1.00 33.53 H new ATOM 0 HB2 ASP A 73 -14.332 8.454 4.371 1.00 2.02 H new ATOM 0 HB3 ASP A 73 -14.231 9.884 3.364 1.00 2.02 H new ATOM 1054 N ASN A 74 -14.642 5.910 2.602 1.00 1.01 N ATOM 1055 CA ASN A 74 -14.797 4.450 2.844 1.00 3.11 C ATOM 1056 C ASN A 74 -13.978 3.541 1.967 1.00 61.43 C ATOM 1057 O ASN A 74 -13.314 2.643 2.476 1.00 42.14 O ATOM 1058 CB ASN A 74 -16.245 4.000 2.787 1.00 73.40 C ATOM 1059 CG ASN A 74 -17.007 4.224 4.050 1.00 41.12 C ATOM 1060 OD1 ASN A 74 -18.197 4.482 4.013 1.00 21.34 O ATOM 1061 ND2 ASN A 74 -16.355 4.025 5.172 1.00 55.43 N ATOM 0 H ASN A 74 -15.523 6.384 2.404 1.00 1.01 H new ATOM 0 HA ASN A 74 -14.402 4.346 3.855 1.00 3.11 H new ATOM 0 HB2 ASN A 74 -16.746 4.528 1.976 1.00 73.40 H new ATOM 0 HB3 ASN A 74 -16.274 2.938 2.542 1.00 73.40 H new ATOM 0 HD21 ASN A 74 -16.846 4.084 6.064 1.00 55.43 H new ATOM 0 HD22 ASN A 74 -15.358 3.811 5.151 1.00 55.43 H new ATOM 1068 N TYR A 75 -14.017 3.749 0.666 1.00 55.02 N ATOM 1069 CA TYR A 75 -13.329 2.868 -0.259 1.00 74.30 C ATOM 1070 C TYR A 75 -11.853 2.982 -0.006 1.00 64.53 C ATOM 1071 O TYR A 75 -11.192 1.995 0.297 1.00 63.24 O ATOM 1072 CB TYR A 75 -13.642 3.238 -1.729 1.00 53.12 C ATOM 1073 CG TYR A 75 -13.135 2.255 -2.765 1.00 43.01 C ATOM 1074 CD1 TYR A 75 -11.785 2.078 -2.969 1.00 61.14 C ATOM 1075 CD2 TYR A 75 -14.010 1.520 -3.546 1.00 21.04 C ATOM 1076 CE1 TYR A 75 -11.308 1.209 -3.899 1.00 32.10 C ATOM 1077 CE2 TYR A 75 -13.539 0.637 -4.492 1.00 21.55 C ATOM 1078 CZ TYR A 75 -12.183 0.483 -4.663 1.00 62.24 C ATOM 1079 OH TYR A 75 -11.701 -0.400 -5.595 1.00 71.24 O ATOM 0 H TYR A 75 -14.518 4.520 0.225 1.00 55.02 H new ATOM 0 HA TYR A 75 -13.669 1.845 -0.100 1.00 74.30 H new ATOM 0 HB2 TYR A 75 -14.722 3.334 -1.840 1.00 53.12 H new ATOM 0 HB3 TYR A 75 -13.212 4.217 -1.940 1.00 53.12 H new ATOM 0 HD1 TYR A 75 -11.085 2.646 -2.373 1.00 61.14 H new ATOM 0 HD2 TYR A 75 -15.075 1.640 -3.412 1.00 21.04 H new ATOM 0 HE1 TYR A 75 -10.243 1.091 -4.035 1.00 32.10 H new ATOM 0 HE2 TYR A 75 -14.231 0.069 -5.096 1.00 21.55 H new ATOM 0 HH TYR A 75 -12.451 -0.836 -6.051 1.00 71.24 H new ATOM 1089 N VAL A 76 -11.359 4.202 -0.067 1.00 73.54 N ATOM 1090 CA VAL A 76 -9.950 4.470 0.111 1.00 75.34 C ATOM 1091 C VAL A 76 -9.474 3.998 1.461 1.00 54.34 C ATOM 1092 O VAL A 76 -8.381 3.469 1.567 1.00 1.42 O ATOM 1093 CB VAL A 76 -9.620 5.951 -0.108 1.00 70.33 C ATOM 1094 CG1 VAL A 76 -8.157 6.248 0.163 1.00 25.21 C ATOM 1095 CG2 VAL A 76 -9.968 6.322 -1.522 1.00 12.04 C ATOM 0 H VAL A 76 -11.924 5.033 -0.241 1.00 73.54 H new ATOM 0 HA VAL A 76 -9.413 3.905 -0.651 1.00 75.34 H new ATOM 0 HB VAL A 76 -10.206 6.544 0.594 1.00 70.33 H new ATOM 0 HG11 VAL A 76 -7.964 7.308 -0.003 1.00 25.21 H new ATOM 0 HG12 VAL A 76 -7.919 5.994 1.196 1.00 25.21 H new ATOM 0 HG13 VAL A 76 -7.535 5.656 -0.509 1.00 25.21 H new ATOM 0 HG21 VAL A 76 -9.737 7.374 -1.689 1.00 12.04 H new ATOM 0 HG22 VAL A 76 -9.388 5.709 -2.212 1.00 12.04 H new ATOM 0 HG23 VAL A 76 -11.031 6.152 -1.692 1.00 12.04 H new ATOM 1105 N GLN A 77 -10.315 4.149 2.467 1.00 13.30 N ATOM 1106 CA GLN A 77 -10.020 3.652 3.789 1.00 65.02 C ATOM 1107 C GLN A 77 -9.866 2.136 3.736 1.00 65.41 C ATOM 1108 O GLN A 77 -8.895 1.617 4.247 1.00 24.55 O ATOM 1109 CB GLN A 77 -11.110 4.064 4.780 1.00 61.03 C ATOM 1110 CG GLN A 77 -10.848 3.671 6.223 1.00 12.23 C ATOM 1111 CD GLN A 77 -11.935 4.158 7.172 1.00 13.14 C ATOM 1112 OE1 GLN A 77 -11.675 4.436 8.332 1.00 71.45 O ATOM 1113 NE2 GLN A 77 -13.160 4.242 6.695 1.00 42.05 N ATOM 0 H GLN A 77 -11.217 4.618 2.387 1.00 13.30 H new ATOM 0 HA GLN A 77 -9.084 4.089 4.137 1.00 65.02 H new ATOM 0 HB2 GLN A 77 -11.234 5.146 4.731 1.00 61.03 H new ATOM 0 HB3 GLN A 77 -12.054 3.620 4.464 1.00 61.03 H new ATOM 0 HG2 GLN A 77 -10.771 2.586 6.291 1.00 12.23 H new ATOM 0 HG3 GLN A 77 -9.887 4.079 6.538 1.00 12.23 H new ATOM 0 HE21 GLN A 77 -13.346 4.003 5.721 1.00 42.05 H new ATOM 0 HE22 GLN A 77 -13.923 4.546 7.300 1.00 42.05 H new ATOM 1122 N TYR A 78 -10.761 1.449 2.991 1.00 1.34 N ATOM 1123 CA TYR A 78 -10.690 -0.003 2.878 1.00 44.02 C ATOM 1124 C TYR A 78 -9.405 -0.380 2.188 1.00 73.44 C ATOM 1125 O TYR A 78 -8.686 -1.290 2.596 1.00 43.30 O ATOM 1126 CB TYR A 78 -11.873 -0.584 2.050 1.00 71.22 C ATOM 1127 CG TYR A 78 -11.583 -1.995 1.528 1.00 62.11 C ATOM 1128 CD1 TYR A 78 -11.503 -3.086 2.389 1.00 14.13 C ATOM 1129 CD2 TYR A 78 -11.305 -2.208 0.179 1.00 5.33 C ATOM 1130 CE1 TYR A 78 -11.170 -4.341 1.920 1.00 22.53 C ATOM 1131 CE2 TYR A 78 -10.954 -3.454 -0.289 1.00 53.11 C ATOM 1132 CZ TYR A 78 -10.891 -4.516 0.581 1.00 34.11 C ATOM 1133 OH TYR A 78 -10.506 -5.762 0.109 1.00 11.23 O ATOM 0 H TYR A 78 -11.525 1.880 2.471 1.00 1.34 H new ATOM 0 HA TYR A 78 -10.739 -0.414 3.886 1.00 44.02 H new ATOM 0 HB2 TYR A 78 -12.770 -0.606 2.669 1.00 71.22 H new ATOM 0 HB3 TYR A 78 -12.082 0.076 1.208 1.00 71.22 H new ATOM 0 HD1 TYR A 78 -11.705 -2.948 3.441 1.00 14.13 H new ATOM 0 HD2 TYR A 78 -11.366 -1.380 -0.512 1.00 5.33 H new ATOM 0 HE1 TYR A 78 -11.128 -5.181 2.598 1.00 22.53 H new ATOM 0 HE2 TYR A 78 -10.729 -3.596 -1.336 1.00 53.11 H new ATOM 0 HH TYR A 78 -10.774 -5.854 -0.829 1.00 11.23 H new ATOM 1143 N MET A 79 -9.121 0.337 1.130 1.00 61.42 N ATOM 1144 CA MET A 79 -7.998 0.037 0.316 1.00 35.02 C ATOM 1145 C MET A 79 -6.707 0.387 1.028 1.00 32.12 C ATOM 1146 O MET A 79 -5.686 -0.195 0.753 1.00 74.35 O ATOM 1147 CB MET A 79 -8.087 0.724 -1.047 1.00 20.33 C ATOM 1148 CG MET A 79 -7.141 0.119 -2.080 1.00 44.53 C ATOM 1149 SD MET A 79 -7.537 -1.619 -2.441 1.00 61.52 S ATOM 1150 CE MET A 79 -9.147 -1.446 -3.235 1.00 62.00 C ATOM 0 H MET A 79 -9.667 1.140 0.820 1.00 61.42 H new ATOM 0 HA MET A 79 -8.001 -1.037 0.133 1.00 35.02 H new ATOM 0 HB2 MET A 79 -9.110 0.657 -1.416 1.00 20.33 H new ATOM 0 HB3 MET A 79 -7.859 1.783 -0.930 1.00 20.33 H new ATOM 0 HG2 MET A 79 -7.192 0.700 -3.001 1.00 44.53 H new ATOM 0 HG3 MET A 79 -6.116 0.188 -1.716 1.00 44.53 H new ATOM 0 HE1 MET A 79 -9.433 -2.395 -3.688 1.00 62.00 H new ATOM 0 HE2 MET A 79 -9.891 -1.160 -2.491 1.00 62.00 H new ATOM 0 HE3 MET A 79 -9.091 -0.678 -4.007 1.00 62.00 H new ATOM 1160 N LYS A 80 -6.749 1.315 1.969 1.00 70.14 N ATOM 1161 CA LYS A 80 -5.547 1.635 2.682 1.00 24.33 C ATOM 1162 C LYS A 80 -5.357 0.800 3.920 1.00 4.44 C ATOM 1163 O LYS A 80 -4.292 0.777 4.439 1.00 51.43 O ATOM 1164 CB LYS A 80 -5.308 3.116 2.955 1.00 62.10 C ATOM 1165 CG LYS A 80 -6.309 3.823 3.831 1.00 34.32 C ATOM 1166 CD LYS A 80 -5.732 5.110 4.452 1.00 51.43 C ATOM 1167 CE LYS A 80 -5.020 6.039 3.445 1.00 73.44 C ATOM 1168 NZ LYS A 80 -3.632 5.576 3.075 1.00 72.02 N ATOM 0 H LYS A 80 -7.579 1.840 2.244 1.00 70.14 H new ATOM 0 HA LYS A 80 -4.765 1.363 1.973 1.00 24.33 H new ATOM 0 HB2 LYS A 80 -4.324 3.221 3.413 1.00 62.10 H new ATOM 0 HB3 LYS A 80 -5.271 3.635 1.997 1.00 62.10 H new ATOM 0 HG2 LYS A 80 -7.193 4.070 3.243 1.00 34.32 H new ATOM 0 HG3 LYS A 80 -6.632 3.151 4.626 1.00 34.32 H new ATOM 0 HD2 LYS A 80 -6.541 5.663 4.929 1.00 51.43 H new ATOM 0 HD3 LYS A 80 -5.027 4.836 5.237 1.00 51.43 H new ATOM 0 HE2 LYS A 80 -5.623 6.111 2.540 1.00 73.44 H new ATOM 0 HE3 LYS A 80 -4.959 7.042 3.868 1.00 73.44 H new ATOM 0 HZ1 LYS A 80 -3.055 6.396 2.799 1.00 72.02 H new ATOM 0 HZ2 LYS A 80 -3.195 5.103 3.892 1.00 72.02 H new ATOM 0 HZ3 LYS A 80 -3.689 4.909 2.279 1.00 72.02 H new ATOM 1182 N GLU A 81 -6.396 0.109 4.379 1.00 20.42 N ATOM 1183 CA GLU A 81 -6.213 -0.880 5.463 1.00 14.35 C ATOM 1184 C GLU A 81 -5.480 -2.108 4.859 1.00 64.05 C ATOM 1185 O GLU A 81 -5.080 -3.044 5.537 1.00 74.11 O ATOM 1186 CB GLU A 81 -7.588 -1.263 6.102 1.00 65.23 C ATOM 1187 CG GLU A 81 -8.297 -0.077 6.792 1.00 23.01 C ATOM 1188 CD GLU A 81 -9.680 -0.398 7.381 1.00 42.41 C ATOM 1189 OE1 GLU A 81 -10.701 -0.348 6.644 1.00 42.03 O ATOM 1190 OE2 GLU A 81 -9.801 -0.629 8.611 1.00 22.20 O ATOM 0 H GLU A 81 -7.352 0.203 4.036 1.00 20.42 H new ATOM 0 HA GLU A 81 -5.612 -0.464 6.271 1.00 14.35 H new ATOM 0 HB2 GLU A 81 -8.241 -1.665 5.327 1.00 65.23 H new ATOM 0 HB3 GLU A 81 -7.432 -2.058 6.832 1.00 65.23 H new ATOM 0 HG2 GLU A 81 -7.656 0.294 7.592 1.00 23.01 H new ATOM 0 HG3 GLU A 81 -8.406 0.732 6.069 1.00 23.01 H new ATOM 1197 N LYS A 82 -5.454 -2.108 3.529 1.00 72.30 N ATOM 1198 CA LYS A 82 -4.704 -3.038 2.709 1.00 3.11 C ATOM 1199 C LYS A 82 -3.292 -2.452 2.358 1.00 41.53 C ATOM 1200 O LYS A 82 -2.275 -3.129 2.424 1.00 70.41 O ATOM 1201 CB LYS A 82 -5.478 -3.249 1.386 1.00 70.54 C ATOM 1202 CG LYS A 82 -6.926 -3.726 1.546 1.00 11.13 C ATOM 1203 CD LYS A 82 -7.057 -5.240 1.584 1.00 70.12 C ATOM 1204 CE LYS A 82 -6.858 -5.849 0.192 1.00 2.10 C ATOM 1205 NZ LYS A 82 -7.871 -5.341 -0.794 1.00 21.31 N ATOM 0 H LYS A 82 -5.978 -1.430 2.976 1.00 72.30 H new ATOM 0 HA LYS A 82 -4.579 -3.973 3.255 1.00 3.11 H new ATOM 0 HB2 LYS A 82 -5.481 -2.311 0.832 1.00 70.54 H new ATOM 0 HB3 LYS A 82 -4.938 -3.976 0.780 1.00 70.54 H new ATOM 0 HG2 LYS A 82 -7.340 -3.309 2.464 1.00 11.13 H new ATOM 0 HG3 LYS A 82 -7.523 -3.337 0.721 1.00 11.13 H new ATOM 0 HD2 LYS A 82 -6.321 -5.654 2.273 1.00 70.12 H new ATOM 0 HD3 LYS A 82 -8.041 -5.513 1.966 1.00 70.12 H new ATOM 0 HE2 LYS A 82 -5.855 -5.616 -0.166 1.00 2.10 H new ATOM 0 HE3 LYS A 82 -6.929 -6.935 0.258 1.00 2.10 H new ATOM 0 HZ1 LYS A 82 -7.870 -5.950 -1.637 1.00 21.31 H new ATOM 0 HZ2 LYS A 82 -8.816 -5.353 -0.359 1.00 21.31 H new ATOM 0 HZ3 LYS A 82 -7.630 -4.368 -1.069 1.00 21.31 H new ATOM 1219 N ASN A 83 -3.318 -1.209 1.856 1.00 14.33 N ATOM 1220 CA ASN A 83 -2.157 -0.519 1.242 1.00 55.12 C ATOM 1221 C ASN A 83 -1.272 0.369 2.167 1.00 25.42 C ATOM 1222 O ASN A 83 -0.084 0.483 1.905 1.00 70.24 O ATOM 1223 CB ASN A 83 -2.658 0.308 0.022 1.00 53.34 C ATOM 1224 CG ASN A 83 -1.581 1.060 -0.791 1.00 15.33 C ATOM 1225 OD1 ASN A 83 -1.852 2.127 -1.338 1.00 42.22 O ATOM 1226 ND2 ASN A 83 -0.396 0.505 -0.918 1.00 14.54 N ATOM 0 H ASN A 83 -4.162 -0.636 1.862 1.00 14.33 H new ATOM 0 HA ASN A 83 -1.478 -1.324 0.959 1.00 55.12 H new ATOM 0 HB2 ASN A 83 -3.186 -0.366 -0.653 1.00 53.34 H new ATOM 0 HB3 ASN A 83 -3.386 1.036 0.380 1.00 53.34 H new ATOM 0 HD21 ASN A 83 0.323 0.960 -1.480 1.00 14.54 H new ATOM 0 HD22 ASN A 83 -0.195 -0.381 -0.454 1.00 14.54 H new ATOM 1345 N LEU A 92 14.430 -4.641 0.575 1.00 33.12 N ATOM 1346 CA LEU A 92 15.430 -3.669 0.160 1.00 2.01 C ATOM 1347 C LEU A 92 16.809 -4.232 0.365 1.00 23.14 C ATOM 1348 O LEU A 92 17.706 -3.909 -0.390 1.00 5.24 O ATOM 1349 CB LEU A 92 15.263 -2.359 0.951 1.00 70.11 C ATOM 1350 CG LEU A 92 16.367 -1.307 0.832 1.00 74.42 C ATOM 1351 CD1 LEU A 92 16.429 -0.712 -0.561 1.00 23.50 C ATOM 1352 CD2 LEU A 92 16.180 -0.233 1.882 1.00 2.03 C ATOM 0 HA LEU A 92 15.293 -3.452 -0.899 1.00 2.01 H new ATOM 0 HB2 LEU A 92 14.326 -1.897 0.640 1.00 70.11 H new ATOM 0 HB3 LEU A 92 15.157 -2.616 2.005 1.00 70.11 H new ATOM 0 HG LEU A 92 17.323 -1.800 1.007 1.00 74.42 H new ATOM 0 HD11 LEU A 92 17.226 0.031 -0.604 1.00 23.50 H new ATOM 0 HD12 LEU A 92 16.629 -1.502 -1.285 1.00 23.50 H new ATOM 0 HD13 LEU A 92 15.477 -0.237 -0.796 1.00 23.50 H new ATOM 0 HD21 LEU A 92 16.972 0.510 1.787 1.00 2.03 H new ATOM 0 HD22 LEU A 92 15.212 0.248 1.742 1.00 2.03 H new ATOM 0 HD23 LEU A 92 16.221 -0.683 2.874 1.00 2.03 H new ATOM 1364 N ASN A 93 16.923 -5.158 1.340 1.00 64.12 N ATOM 1365 CA ASN A 93 18.185 -5.823 1.710 1.00 73.52 C ATOM 1366 C ASN A 93 18.928 -6.324 0.482 1.00 73.41 C ATOM 1367 O ASN A 93 20.156 -6.193 0.393 1.00 53.13 O ATOM 1368 CB ASN A 93 17.883 -7.012 2.646 1.00 71.33 C ATOM 1369 CG ASN A 93 19.116 -7.764 3.122 1.00 23.42 C ATOM 1370 OD1 ASN A 93 19.705 -7.407 4.142 1.00 62.11 O ATOM 1371 ND2 ASN A 93 19.479 -8.828 2.440 1.00 72.12 N ATOM 0 H ASN A 93 16.128 -5.468 1.899 1.00 64.12 H new ATOM 0 HA ASN A 93 18.817 -5.095 2.218 1.00 73.52 H new ATOM 0 HB2 ASN A 93 17.338 -6.645 3.516 1.00 71.33 H new ATOM 0 HB3 ASN A 93 17.225 -7.709 2.128 1.00 71.33 H new ATOM 0 HD21 ASN A 93 20.273 -9.388 2.752 1.00 72.12 H new ATOM 0 HD22 ASN A 93 18.967 -9.094 1.599 1.00 72.12 H new ATOM 1378 N GLU A 94 18.177 -6.812 -0.501 1.00 75.35 N ATOM 1379 CA GLU A 94 18.789 -7.395 -1.675 1.00 22.54 C ATOM 1380 C GLU A 94 19.471 -6.323 -2.533 1.00 12.12 C ATOM 1381 O GLU A 94 20.710 -6.267 -2.625 1.00 71.03 O ATOM 1382 CB GLU A 94 17.753 -8.174 -2.489 1.00 52.52 C ATOM 1383 CG GLU A 94 16.976 -9.192 -1.664 1.00 61.24 C ATOM 1384 CD GLU A 94 17.876 -10.123 -0.880 1.00 32.05 C ATOM 1385 OE1 GLU A 94 18.288 -11.149 -1.430 1.00 20.22 O ATOM 1386 OE2 GLU A 94 18.170 -9.804 0.299 1.00 23.44 O ATOM 0 H GLU A 94 17.157 -6.813 -0.503 1.00 75.35 H new ATOM 0 HA GLU A 94 19.559 -8.093 -1.346 1.00 22.54 H new ATOM 0 HB2 GLU A 94 17.052 -7.471 -2.939 1.00 52.52 H new ATOM 0 HB3 GLU A 94 18.257 -8.689 -3.307 1.00 52.52 H new ATOM 0 HG2 GLU A 94 16.316 -8.666 -0.974 1.00 61.24 H new ATOM 0 HG3 GLU A 94 16.341 -9.781 -2.326 1.00 61.24 H new ATOM 1393 N ILE A 95 18.669 -5.411 -3.073 1.00 55.22 N ATOM 1394 CA ILE A 95 19.170 -4.388 -3.993 1.00 31.53 C ATOM 1395 C ILE A 95 20.148 -3.443 -3.244 1.00 42.33 C ATOM 1396 O ILE A 95 21.110 -2.943 -3.818 1.00 0.21 O ATOM 1397 CB ILE A 95 17.972 -3.608 -4.687 1.00 43.34 C ATOM 1398 CG1 ILE A 95 18.259 -3.296 -6.187 1.00 34.25 C ATOM 1399 CG2 ILE A 95 17.576 -2.329 -3.940 1.00 23.24 C ATOM 1400 CD1 ILE A 95 19.439 -2.386 -6.467 1.00 24.43 C ATOM 0 H ILE A 95 17.667 -5.357 -2.891 1.00 55.22 H new ATOM 0 HA ILE A 95 19.727 -4.867 -4.798 1.00 31.53 H new ATOM 0 HB ILE A 95 17.122 -4.288 -4.639 1.00 43.34 H new ATOM 0 HG12 ILE A 95 18.422 -4.239 -6.708 1.00 34.25 H new ATOM 0 HG13 ILE A 95 17.367 -2.843 -6.620 1.00 34.25 H new ATOM 0 HG21 ILE A 95 16.753 -1.842 -4.463 1.00 23.24 H new ATOM 0 HG22 ILE A 95 17.263 -2.581 -2.927 1.00 23.24 H new ATOM 0 HG23 ILE A 95 18.430 -1.653 -3.898 1.00 23.24 H new ATOM 0 HD11 ILE A 95 19.540 -2.242 -7.543 1.00 24.43 H new ATOM 0 HD12 ILE A 95 19.277 -1.422 -5.985 1.00 24.43 H new ATOM 0 HD13 ILE A 95 20.349 -2.840 -6.075 1.00 24.43 H new ATOM 1412 N PHE A 96 19.938 -3.301 -1.939 1.00 50.31 N ATOM 1413 CA PHE A 96 20.772 -2.467 -1.080 1.00 52.42 C ATOM 1414 C PHE A 96 22.206 -2.993 -1.089 1.00 3.01 C ATOM 1415 O PHE A 96 23.169 -2.210 -1.088 1.00 73.44 O ATOM 1416 CB PHE A 96 20.205 -2.493 0.342 1.00 72.15 C ATOM 1417 CG PHE A 96 20.783 -1.504 1.299 1.00 61.14 C ATOM 1418 CD1 PHE A 96 20.287 -0.213 1.349 1.00 42.35 C ATOM 1419 CD2 PHE A 96 21.796 -1.864 2.163 1.00 64.15 C ATOM 1420 CE1 PHE A 96 20.797 0.702 2.241 1.00 74.11 C ATOM 1421 CE2 PHE A 96 22.308 -0.958 3.057 1.00 41.43 C ATOM 1422 CZ PHE A 96 21.807 0.331 3.097 1.00 74.43 C ATOM 0 H PHE A 96 19.177 -3.766 -1.443 1.00 50.31 H new ATOM 0 HA PHE A 96 20.775 -1.441 -1.448 1.00 52.42 H new ATOM 0 HB2 PHE A 96 19.129 -2.327 0.285 1.00 72.15 H new ATOM 0 HB3 PHE A 96 20.352 -3.492 0.751 1.00 72.15 H new ATOM 0 HD1 PHE A 96 19.491 0.079 0.680 1.00 42.35 H new ATOM 0 HD2 PHE A 96 22.190 -2.869 2.136 1.00 64.15 H new ATOM 0 HE1 PHE A 96 20.405 1.708 2.269 1.00 74.11 H new ATOM 0 HE2 PHE A 96 23.101 -1.251 3.729 1.00 41.43 H new ATOM 0 HZ PHE A 96 22.209 1.045 3.800 1.00 74.43 H new ATOM 1432 N SER A 97 22.338 -4.312 -1.196 1.00 65.42 N ATOM 1433 CA SER A 97 23.632 -4.952 -1.191 1.00 55.43 C ATOM 1434 C SER A 97 24.322 -4.786 -2.551 1.00 74.13 C ATOM 1435 O SER A 97 25.501 -5.041 -2.689 1.00 21.23 O ATOM 1436 CB SER A 97 23.475 -6.429 -0.826 1.00 62.31 C ATOM 1437 OG SER A 97 22.858 -6.563 0.444 1.00 30.14 O ATOM 0 H SER A 97 21.552 -4.956 -1.288 1.00 65.42 H new ATOM 0 HA SER A 97 24.264 -4.475 -0.442 1.00 55.43 H new ATOM 0 HB2 SER A 97 22.876 -6.935 -1.583 1.00 62.31 H new ATOM 0 HB3 SER A 97 24.452 -6.913 -0.816 1.00 62.31 H new ATOM 0 HG SER A 97 21.893 -6.418 0.356 1.00 30.14 H new ATOM 1443 N THR A 98 23.561 -4.375 -3.550 1.00 31.44 N ATOM 1444 CA THR A 98 24.096 -4.110 -4.863 1.00 35.42 C ATOM 1445 C THR A 98 24.514 -2.626 -4.949 1.00 34.32 C ATOM 1446 O THR A 98 25.513 -2.276 -5.556 1.00 12.11 O ATOM 1447 CB THR A 98 23.016 -4.397 -5.920 1.00 10.32 C ATOM 1448 OG1 THR A 98 22.411 -5.669 -5.627 1.00 13.23 O ATOM 1449 CG2 THR A 98 23.615 -4.439 -7.321 1.00 70.33 C ATOM 0 H THR A 98 22.557 -4.217 -3.469 1.00 31.44 H new ATOM 0 HA THR A 98 24.962 -4.747 -5.044 1.00 35.42 H new ATOM 0 HB THR A 98 22.274 -3.599 -5.889 1.00 10.32 H new ATOM 0 HG1 THR A 98 21.719 -5.863 -6.293 1.00 13.23 H new ATOM 0 HG21 THR A 98 22.828 -4.644 -8.047 1.00 70.33 H new ATOM 0 HG22 THR A 98 24.077 -3.478 -7.548 1.00 70.33 H new ATOM 0 HG23 THR A 98 24.368 -5.225 -7.371 1.00 70.33 H new ATOM 1457 N ILE A 99 23.732 -1.783 -4.301 1.00 61.12 N ATOM 1458 CA ILE A 99 23.930 -0.337 -4.309 1.00 42.41 C ATOM 1459 C ILE A 99 25.141 0.080 -3.467 1.00 63.23 C ATOM 1460 O ILE A 99 26.075 0.705 -3.966 1.00 14.31 O ATOM 1461 CB ILE A 99 22.688 0.364 -3.726 1.00 62.52 C ATOM 1462 CG1 ILE A 99 21.429 0.060 -4.544 1.00 62.23 C ATOM 1463 CG2 ILE A 99 22.903 1.874 -3.617 1.00 22.14 C ATOM 1464 CD1 ILE A 99 20.157 0.679 -3.985 1.00 4.12 C ATOM 0 H ILE A 99 22.930 -2.082 -3.746 1.00 61.12 H new ATOM 0 HA ILE A 99 24.098 -0.044 -5.345 1.00 42.41 H new ATOM 0 HB ILE A 99 22.539 -0.035 -2.722 1.00 62.52 H new ATOM 0 HG12 ILE A 99 21.576 0.418 -5.563 1.00 62.23 H new ATOM 0 HG13 ILE A 99 21.299 -1.021 -4.601 1.00 62.23 H new ATOM 0 HG21 ILE A 99 22.009 2.340 -3.202 1.00 22.14 H new ATOM 0 HG22 ILE A 99 23.753 2.074 -2.964 1.00 22.14 H new ATOM 0 HG23 ILE A 99 23.101 2.286 -4.607 1.00 22.14 H new ATOM 0 HD11 ILE A 99 19.313 0.415 -4.623 1.00 4.12 H new ATOM 0 HD12 ILE A 99 19.982 0.303 -2.977 1.00 4.12 H new ATOM 0 HD13 ILE A 99 20.263 1.763 -3.954 1.00 4.12 H new ATOM 1476 N ALA A 100 25.124 -0.290 -2.190 1.00 41.23 N ATOM 1477 CA ALA A 100 26.150 0.142 -1.229 1.00 61.40 C ATOM 1478 C ALA A 100 27.393 -0.730 -1.310 1.00 10.23 C ATOM 1479 O ALA A 100 28.357 -0.536 -0.572 1.00 50.24 O ATOM 1480 CB ALA A 100 25.573 0.121 0.174 1.00 51.13 C ATOM 0 H ALA A 100 24.407 -0.893 -1.788 1.00 41.23 H new ATOM 0 HA ALA A 100 26.451 1.159 -1.481 1.00 61.40 H new ATOM 0 HB1 ALA A 100 26.334 0.441 0.885 1.00 51.13 H new ATOM 0 HB2 ALA A 100 24.720 0.797 0.227 1.00 51.13 H new ATOM 0 HB3 ALA A 100 25.250 -0.891 0.419 1.00 51.13 H new ATOM 1486 N ALA A 101 27.360 -1.625 -2.249 1.00 0.05 N ATOM 1487 CA ALA A 101 28.367 -2.622 -2.482 1.00 62.01 C ATOM 1488 C ALA A 101 29.776 -2.039 -2.651 1.00 63.13 C ATOM 1489 O ALA A 101 30.073 -1.374 -3.643 1.00 21.21 O ATOM 1490 CB ALA A 101 27.964 -3.402 -3.707 1.00 61.41 C ATOM 0 H ALA A 101 26.587 -1.685 -2.912 1.00 0.05 H new ATOM 0 HA ALA A 101 28.425 -3.265 -1.604 1.00 62.01 H new ATOM 0 HB1 ALA A 101 28.710 -4.169 -3.912 1.00 61.41 H new ATOM 0 HB2 ALA A 101 26.996 -3.873 -3.536 1.00 61.41 H new ATOM 0 HB3 ALA A 101 27.893 -2.728 -4.561 1.00 61.41 H new ATOM 1496 N GLY A 102 30.607 -2.240 -1.641 1.00 74.31 N ATOM 1497 CA GLY A 102 31.998 -1.846 -1.725 1.00 14.50 C ATOM 1498 C GLY A 102 32.263 -0.469 -1.170 1.00 2.22 C ATOM 1499 O GLY A 102 33.391 0.009 -1.206 1.00 11.40 O ATOM 0 H GLY A 102 30.340 -2.673 -0.757 1.00 74.31 H new ATOM 0 HA2 GLY A 102 32.607 -2.571 -1.185 1.00 14.50 H new ATOM 0 HA3 GLY A 102 32.315 -1.877 -2.767 1.00 14.50 H new ATOM 1503 N LYS A 103 31.241 0.167 -0.657 1.00 3.01 N ATOM 1504 CA LYS A 103 31.384 1.501 -0.113 1.00 41.42 C ATOM 1505 C LYS A 103 31.233 1.448 1.399 1.00 61.21 C ATOM 1506 O LYS A 103 31.096 0.367 1.971 1.00 61.04 O ATOM 1507 CB LYS A 103 30.326 2.431 -0.740 1.00 44.34 C ATOM 1508 CG LYS A 103 30.407 2.476 -2.268 1.00 20.14 C ATOM 1509 CD LYS A 103 29.317 3.328 -2.918 1.00 43.33 C ATOM 1510 CE LYS A 103 27.934 2.847 -2.533 1.00 73.44 C ATOM 1511 NZ LYS A 103 26.884 3.362 -3.434 1.00 12.32 N ATOM 0 H LYS A 103 30.297 -0.215 -0.603 1.00 3.01 H new ATOM 0 HA LYS A 103 32.372 1.896 -0.350 1.00 41.42 H new ATOM 0 HB2 LYS A 103 29.332 2.096 -0.443 1.00 44.34 H new ATOM 0 HB3 LYS A 103 30.454 3.438 -0.344 1.00 44.34 H new ATOM 0 HG2 LYS A 103 31.382 2.866 -2.560 1.00 20.14 H new ATOM 0 HG3 LYS A 103 30.341 1.460 -2.656 1.00 20.14 H new ATOM 0 HD2 LYS A 103 29.439 4.368 -2.617 1.00 43.33 H new ATOM 0 HD3 LYS A 103 29.426 3.295 -4.002 1.00 43.33 H new ATOM 0 HE2 LYS A 103 27.916 1.757 -2.545 1.00 73.44 H new ATOM 0 HE3 LYS A 103 27.716 3.158 -1.511 1.00 73.44 H new ATOM 0 HZ1 LYS A 103 25.974 3.380 -2.932 1.00 12.32 H new ATOM 0 HZ2 LYS A 103 27.130 4.325 -3.739 1.00 12.32 H new ATOM 0 HZ3 LYS A 103 26.808 2.744 -4.267 1.00 12.32 H new ATOM 1525 N ASP A 104 31.331 2.575 2.037 1.00 45.42 N ATOM 1526 CA ASP A 104 31.069 2.693 3.472 1.00 30.54 C ATOM 1527 C ASP A 104 29.854 3.595 3.656 1.00 73.41 C ATOM 1528 O ASP A 104 29.009 3.389 4.534 1.00 51.55 O ATOM 1529 CB ASP A 104 32.291 3.311 4.198 1.00 11.45 C ATOM 1530 CG ASP A 104 32.548 4.768 3.807 1.00 43.44 C ATOM 1531 OD1 ASP A 104 32.621 5.059 2.572 1.00 41.13 O ATOM 1532 OD2 ASP A 104 32.657 5.617 4.699 1.00 74.20 O ATOM 0 H ASP A 104 31.595 3.453 1.590 1.00 45.42 H new ATOM 0 HA ASP A 104 30.884 1.706 3.897 1.00 30.54 H new ATOM 0 HB2 ASP A 104 32.134 3.252 5.275 1.00 11.45 H new ATOM 0 HB3 ASP A 104 33.178 2.719 3.972 1.00 11.45 H new ATOM 1537 N SER A 105 29.763 4.542 2.772 1.00 64.15 N ATOM 1538 CA SER A 105 28.778 5.550 2.755 1.00 25.23 C ATOM 1539 C SER A 105 27.663 5.253 1.751 1.00 1.41 C ATOM 1540 O SER A 105 27.811 4.404 0.845 1.00 65.54 O ATOM 1541 CB SER A 105 29.515 6.822 2.392 1.00 74.14 C ATOM 1542 OG SER A 105 30.566 6.517 1.457 1.00 32.22 O ATOM 0 H SER A 105 30.423 4.625 1.999 1.00 64.15 H new ATOM 0 HA SER A 105 28.279 5.626 3.721 1.00 25.23 H new ATOM 0 HB2 SER A 105 28.824 7.544 1.956 1.00 74.14 H new ATOM 0 HB3 SER A 105 29.933 7.281 3.288 1.00 74.14 H new ATOM 0 HG SER A 105 31.328 6.129 1.936 1.00 32.22 H new ATOM 1548 N ILE A 106 26.549 5.925 1.935 1.00 3.42 N ATOM 1549 CA ILE A 106 25.414 5.834 1.050 1.00 4.43 C ATOM 1550 C ILE A 106 24.542 7.079 1.239 1.00 51.12 C ATOM 1551 O ILE A 106 24.206 7.446 2.354 1.00 14.14 O ATOM 1552 CB ILE A 106 24.600 4.497 1.250 1.00 4.14 C ATOM 1553 CG1 ILE A 106 23.398 4.432 0.313 1.00 2.23 C ATOM 1554 CG2 ILE A 106 24.150 4.311 2.695 1.00 11.14 C ATOM 1555 CD1 ILE A 106 22.713 3.083 0.296 1.00 24.34 C ATOM 0 H ILE A 106 26.406 6.561 2.719 1.00 3.42 H new ATOM 0 HA ILE A 106 25.769 5.800 0.020 1.00 4.43 H new ATOM 0 HB ILE A 106 25.278 3.680 1.003 1.00 4.14 H new ATOM 0 HG12 ILE A 106 22.676 5.193 0.609 1.00 2.23 H new ATOM 0 HG13 ILE A 106 23.723 4.678 -0.698 1.00 2.23 H new ATOM 0 HG21 ILE A 106 23.594 3.378 2.786 1.00 11.14 H new ATOM 0 HG22 ILE A 106 25.023 4.277 3.347 1.00 11.14 H new ATOM 0 HG23 ILE A 106 23.511 5.144 2.987 1.00 11.14 H new ATOM 0 HD11 ILE A 106 21.868 3.113 -0.392 1.00 24.34 H new ATOM 0 HD12 ILE A 106 23.420 2.320 -0.030 1.00 24.34 H new ATOM 0 HD13 ILE A 106 22.357 2.843 1.298 1.00 24.34 H new ATOM 1567 N THR A 107 24.241 7.760 0.170 1.00 11.42 N ATOM 1568 CA THR A 107 23.466 8.973 0.252 1.00 1.25 C ATOM 1569 C THR A 107 22.079 8.782 -0.337 1.00 72.54 C ATOM 1570 O THR A 107 21.801 7.741 -1.004 1.00 0.40 O ATOM 1571 CB THR A 107 24.175 10.130 -0.484 1.00 32.21 C ATOM 1572 OG1 THR A 107 24.571 9.698 -1.789 1.00 61.14 O ATOM 1573 CG2 THR A 107 25.383 10.632 0.290 1.00 52.51 C ATOM 0 H THR A 107 24.521 7.497 -0.775 1.00 11.42 H new ATOM 0 HA THR A 107 23.370 9.223 1.309 1.00 1.25 H new ATOM 0 HB THR A 107 23.472 10.958 -0.569 1.00 32.21 H new ATOM 0 HG1 THR A 107 25.019 10.434 -2.255 1.00 61.14 H new ATOM 0 HG21 THR A 107 25.855 11.446 -0.260 1.00 52.51 H new ATOM 0 HG22 THR A 107 25.064 10.992 1.268 1.00 52.51 H new ATOM 0 HG23 THR A 107 26.097 9.818 0.418 1.00 52.51 H new ATOM 1581 N GLU A 108 21.197 9.786 -0.122 1.00 2.12 N ATOM 1582 CA GLU A 108 19.874 9.750 -0.702 1.00 3.14 C ATOM 1583 C GLU A 108 19.973 9.478 -2.157 1.00 20.13 C ATOM 1584 O GLU A 108 19.502 8.499 -2.587 1.00 74.13 O ATOM 1585 CB GLU A 108 19.089 11.030 -0.526 1.00 32.15 C ATOM 1586 CG GLU A 108 17.799 10.970 -1.335 1.00 73.43 C ATOM 1587 CD GLU A 108 17.022 12.242 -1.328 1.00 75.24 C ATOM 1588 OE1 GLU A 108 16.363 12.528 -0.313 1.00 5.25 O ATOM 1589 OE2 GLU A 108 17.049 12.940 -2.348 1.00 35.41 O ATOM 0 H GLU A 108 21.393 10.612 0.444 1.00 2.12 H new ATOM 0 HA GLU A 108 19.343 8.960 -0.171 1.00 3.14 H new ATOM 0 HB2 GLU A 108 18.859 11.182 0.529 1.00 32.15 H new ATOM 0 HB3 GLU A 108 19.690 11.881 -0.847 1.00 32.15 H new ATOM 0 HG2 GLU A 108 18.040 10.708 -2.365 1.00 73.43 H new ATOM 0 HG3 GLU A 108 17.172 10.170 -0.941 1.00 73.43 H new ATOM 1596 N THR A 109 20.647 10.341 -2.878 1.00 13.41 N ATOM 1597 CA THR A 109 20.810 10.211 -4.302 1.00 10.23 C ATOM 1598 C THR A 109 21.483 8.872 -4.705 1.00 52.32 C ATOM 1599 O THR A 109 21.264 8.390 -5.796 1.00 74.41 O ATOM 1600 CB THR A 109 21.588 11.426 -4.829 1.00 74.33 C ATOM 1601 OG1 THR A 109 20.906 12.630 -4.433 1.00 74.44 O ATOM 1602 CG2 THR A 109 21.764 11.412 -6.343 1.00 2.50 C ATOM 0 H THR A 109 21.103 11.164 -2.485 1.00 13.41 H new ATOM 0 HA THR A 109 19.823 10.189 -4.764 1.00 10.23 H new ATOM 0 HB THR A 109 22.587 11.384 -4.396 1.00 74.33 H new ATOM 0 HG1 THR A 109 21.399 13.409 -4.765 1.00 74.44 H new ATOM 0 HG21 THR A 109 22.321 12.296 -6.653 1.00 2.50 H new ATOM 0 HG22 THR A 109 22.311 10.517 -6.637 1.00 2.50 H new ATOM 0 HG23 THR A 109 20.785 11.413 -6.823 1.00 2.50 H new ATOM 1610 N ASP A 110 22.206 8.245 -3.785 1.00 21.03 N ATOM 1611 CA ASP A 110 22.864 6.970 -4.073 1.00 24.42 C ATOM 1612 C ASP A 110 21.774 5.892 -4.148 1.00 23.54 C ATOM 1613 O ASP A 110 21.840 4.964 -4.939 1.00 30.41 O ATOM 1614 CB ASP A 110 23.894 6.665 -2.970 1.00 75.22 C ATOM 1615 CG ASP A 110 24.798 5.493 -3.251 1.00 70.30 C ATOM 1616 OD1 ASP A 110 25.789 5.655 -3.995 1.00 20.41 O ATOM 1617 OD2 ASP A 110 24.611 4.415 -2.658 1.00 31.11 O ATOM 0 H ASP A 110 22.353 8.593 -2.838 1.00 21.03 H new ATOM 0 HA ASP A 110 23.402 7.002 -5.020 1.00 24.42 H new ATOM 0 HB2 ASP A 110 24.510 7.551 -2.814 1.00 75.22 H new ATOM 0 HB3 ASP A 110 23.361 6.479 -2.038 1.00 75.22 H new ATOM 1622 N MET A 111 20.735 6.074 -3.328 1.00 21.10 N ATOM 1623 CA MET A 111 19.535 5.197 -3.367 1.00 15.14 C ATOM 1624 C MET A 111 18.469 5.734 -4.360 1.00 52.15 C ATOM 1625 O MET A 111 18.028 5.048 -5.263 1.00 42.04 O ATOM 1626 CB MET A 111 18.891 5.125 -1.987 1.00 35.00 C ATOM 1627 CG MET A 111 19.750 4.501 -0.923 1.00 3.12 C ATOM 1628 SD MET A 111 18.975 4.547 0.703 1.00 12.32 S ATOM 1629 CE MET A 111 18.905 6.312 1.019 1.00 40.32 C ATOM 0 H MET A 111 20.689 6.814 -2.628 1.00 21.10 H new ATOM 0 HA MET A 111 19.870 4.212 -3.691 1.00 15.14 H new ATOM 0 HB2 MET A 111 18.624 6.134 -1.673 1.00 35.00 H new ATOM 0 HB3 MET A 111 17.963 4.559 -2.064 1.00 35.00 H new ATOM 0 HG2 MET A 111 19.962 3.466 -1.192 1.00 3.12 H new ATOM 0 HG3 MET A 111 20.707 5.022 -0.881 1.00 3.12 H new ATOM 0 HE1 MET A 111 18.738 6.485 2.082 1.00 40.32 H new ATOM 0 HE2 MET A 111 19.846 6.773 0.720 1.00 40.32 H new ATOM 0 HE3 MET A 111 18.088 6.752 0.447 1.00 40.32 H new ATOM 1639 N GLN A 112 18.078 6.963 -4.132 1.00 75.00 N ATOM 1640 CA GLN A 112 17.060 7.726 -4.863 1.00 2.15 C ATOM 1641 C GLN A 112 17.301 7.790 -6.352 1.00 71.52 C ATOM 1642 O GLN A 112 16.363 7.744 -7.145 1.00 62.33 O ATOM 1643 CB GLN A 112 16.918 9.124 -4.184 1.00 62.41 C ATOM 1644 CG GLN A 112 16.521 10.327 -5.044 1.00 24.21 C ATOM 1645 CD GLN A 112 17.717 11.141 -5.492 1.00 1.42 C ATOM 1646 OE1 GLN A 112 18.308 10.892 -6.553 1.00 41.35 O ATOM 1647 NE2 GLN A 112 18.069 12.130 -4.720 1.00 1.35 N ATOM 0 H GLN A 112 18.486 7.511 -3.375 1.00 75.00 H new ATOM 0 HA GLN A 112 16.106 7.203 -4.797 1.00 2.15 H new ATOM 0 HB2 GLN A 112 16.180 9.030 -3.388 1.00 62.41 H new ATOM 0 HB3 GLN A 112 17.871 9.358 -3.709 1.00 62.41 H new ATOM 0 HG2 GLN A 112 15.974 9.978 -5.920 1.00 24.21 H new ATOM 0 HG3 GLN A 112 15.843 10.966 -4.478 1.00 24.21 H new ATOM 0 HE21 GLN A 112 17.561 12.307 -3.854 1.00 1.35 H new ATOM 0 HE22 GLN A 112 18.853 12.728 -4.982 1.00 1.35 H new ATOM 1656 N LYS A 113 18.522 7.908 -6.743 1.00 5.02 N ATOM 1657 CA LYS A 113 18.805 7.911 -8.169 1.00 31.33 C ATOM 1658 C LYS A 113 18.825 6.485 -8.762 1.00 15.44 C ATOM 1659 O LYS A 113 18.567 6.309 -9.940 1.00 65.32 O ATOM 1660 CB LYS A 113 20.075 8.721 -8.499 1.00 62.55 C ATOM 1661 CG LYS A 113 20.386 8.890 -9.987 1.00 42.23 C ATOM 1662 CD LYS A 113 19.233 9.521 -10.809 1.00 54.53 C ATOM 1663 CE LYS A 113 18.839 10.951 -10.385 1.00 4.23 C ATOM 1664 NZ LYS A 113 17.974 10.996 -9.167 1.00 35.03 N ATOM 0 H LYS A 113 19.332 8.002 -6.130 1.00 5.02 H new ATOM 0 HA LYS A 113 17.980 8.425 -8.661 1.00 31.33 H new ATOM 0 HB2 LYS A 113 19.979 9.711 -8.052 1.00 62.55 H new ATOM 0 HB3 LYS A 113 20.927 8.237 -8.021 1.00 62.55 H new ATOM 0 HG2 LYS A 113 21.275 9.512 -10.093 1.00 42.23 H new ATOM 0 HG3 LYS A 113 20.627 7.915 -10.410 1.00 42.23 H new ATOM 0 HD2 LYS A 113 19.522 9.536 -11.860 1.00 54.53 H new ATOM 0 HD3 LYS A 113 18.356 8.879 -10.729 1.00 54.53 H new ATOM 0 HE2 LYS A 113 19.745 11.529 -10.199 1.00 4.23 H new ATOM 0 HE3 LYS A 113 18.316 11.435 -11.210 1.00 4.23 H new ATOM 0 HZ1 LYS A 113 17.502 11.921 -9.111 1.00 35.03 H new ATOM 0 HZ2 LYS A 113 17.258 10.244 -9.222 1.00 35.03 H new ATOM 0 HZ3 LYS A 113 18.560 10.854 -8.320 1.00 35.03 H new ATOM 1678 N ALA A 114 18.998 5.477 -7.916 1.00 10.23 N ATOM 1679 CA ALA A 114 19.089 4.065 -8.357 1.00 1.02 C ATOM 1680 C ALA A 114 17.707 3.464 -8.709 1.00 53.31 C ATOM 1681 O ALA A 114 17.543 2.248 -8.750 1.00 4.21 O ATOM 1682 CB ALA A 114 19.771 3.222 -7.278 1.00 24.13 C ATOM 0 H ALA A 114 19.080 5.600 -6.907 1.00 10.23 H new ATOM 0 HA ALA A 114 19.687 4.049 -9.268 1.00 1.02 H new ATOM 0 HB1 ALA A 114 19.833 2.186 -7.611 1.00 24.13 H new ATOM 0 HB2 ALA A 114 20.775 3.606 -7.097 1.00 24.13 H new ATOM 0 HB3 ALA A 114 19.191 3.273 -6.356 1.00 24.13 H new ATOM 1688 N GLY A 115 16.750 4.326 -9.013 1.00 14.13 N ATOM 1689 CA GLY A 115 15.404 3.882 -9.374 1.00 21.15 C ATOM 1690 C GLY A 115 14.601 3.359 -8.193 1.00 45.03 C ATOM 1691 O GLY A 115 13.713 2.523 -8.354 1.00 41.43 O ATOM 0 H GLY A 115 16.876 5.338 -9.018 1.00 14.13 H new ATOM 0 HA2 GLY A 115 14.866 4.713 -9.830 1.00 21.15 H new ATOM 0 HA3 GLY A 115 15.478 3.099 -10.128 1.00 21.15 H new ATOM 1695 N MET A 116 14.901 3.860 -7.022 1.00 23.33 N ATOM 1696 CA MET A 116 14.216 3.442 -5.816 1.00 35.05 C ATOM 1697 C MET A 116 12.935 4.226 -5.573 1.00 25.30 C ATOM 1698 O MET A 116 12.805 5.382 -5.976 1.00 1.44 O ATOM 1699 CB MET A 116 15.137 3.527 -4.602 1.00 22.23 C ATOM 1700 CG MET A 116 16.010 2.305 -4.392 1.00 2.43 C ATOM 1701 SD MET A 116 15.035 0.836 -3.974 1.00 11.30 S ATOM 1702 CE MET A 116 14.193 1.388 -2.485 1.00 33.20 C ATOM 0 H MET A 116 15.622 4.566 -6.873 1.00 23.33 H new ATOM 0 HA MET A 116 13.932 2.400 -5.965 1.00 35.05 H new ATOM 0 HB2 MET A 116 15.778 4.402 -4.708 1.00 22.23 H new ATOM 0 HB3 MET A 116 14.530 3.682 -3.710 1.00 22.23 H new ATOM 0 HG2 MET A 116 16.586 2.112 -5.297 1.00 2.43 H new ATOM 0 HG3 MET A 116 16.726 2.504 -3.594 1.00 2.43 H new ATOM 0 HE1 MET A 116 13.787 0.526 -1.956 1.00 33.20 H new ATOM 0 HE2 MET A 116 14.900 1.910 -1.840 1.00 33.20 H new ATOM 0 HE3 MET A 116 13.381 2.063 -2.755 1.00 33.20 H new ATOM 1712 N SER A 117 12.001 3.592 -4.901 1.00 42.43 N ATOM 1713 CA SER A 117 10.734 4.182 -4.585 1.00 61.22 C ATOM 1714 C SER A 117 10.813 5.022 -3.293 1.00 54.33 C ATOM 1715 O SER A 117 11.263 4.529 -2.237 1.00 72.34 O ATOM 1716 CB SER A 117 9.699 3.063 -4.484 1.00 52.54 C ATOM 1717 OG SER A 117 10.224 1.968 -3.738 1.00 51.30 O ATOM 0 H SER A 117 12.109 2.638 -4.557 1.00 42.43 H new ATOM 0 HA SER A 117 10.436 4.874 -5.373 1.00 61.22 H new ATOM 0 HB2 SER A 117 8.794 3.438 -4.005 1.00 52.54 H new ATOM 0 HB3 SER A 117 9.416 2.729 -5.482 1.00 52.54 H new ATOM 0 HG SER A 117 9.550 1.259 -3.680 1.00 51.30 H new ATOM 1723 N ALA A 118 10.362 6.292 -3.396 1.00 5.02 N ATOM 1724 CA ALA A 118 10.389 7.297 -2.296 1.00 71.31 C ATOM 1725 C ALA A 118 9.911 6.734 -0.957 1.00 41.04 C ATOM 1726 O ALA A 118 10.528 6.989 0.067 1.00 24.42 O ATOM 1727 CB ALA A 118 9.565 8.517 -2.683 1.00 72.03 C ATOM 0 H ALA A 118 9.961 6.659 -4.259 1.00 5.02 H new ATOM 0 HA ALA A 118 11.431 7.585 -2.157 1.00 71.31 H new ATOM 0 HB1 ALA A 118 9.591 9.246 -1.873 1.00 72.03 H new ATOM 0 HB2 ALA A 118 9.979 8.964 -3.587 1.00 72.03 H new ATOM 0 HB3 ALA A 118 8.534 8.216 -2.867 1.00 72.03 H new ATOM 1733 N GLU A 119 8.829 5.956 -1.014 1.00 3.53 N ATOM 1734 CA GLU A 119 8.233 5.245 0.136 1.00 44.52 C ATOM 1735 C GLU A 119 9.314 4.550 0.995 1.00 13.23 C ATOM 1736 O GLU A 119 9.380 4.722 2.209 1.00 35.42 O ATOM 1737 CB GLU A 119 7.238 4.209 -0.444 1.00 42.01 C ATOM 1738 CG GLU A 119 6.765 3.108 0.498 1.00 0.11 C ATOM 1739 CD GLU A 119 5.915 3.560 1.664 1.00 24.41 C ATOM 1740 OE1 GLU A 119 6.423 4.194 2.570 1.00 25.45 O ATOM 1741 OE2 GLU A 119 4.761 3.128 1.754 1.00 32.43 O ATOM 0 H GLU A 119 8.322 5.793 -1.884 1.00 3.53 H new ATOM 0 HA GLU A 119 7.725 5.949 0.795 1.00 44.52 H new ATOM 0 HB2 GLU A 119 6.361 4.746 -0.806 1.00 42.01 H new ATOM 0 HB3 GLU A 119 7.704 3.738 -1.310 1.00 42.01 H new ATOM 0 HG2 GLU A 119 6.197 2.380 -0.081 1.00 0.11 H new ATOM 0 HG3 GLU A 119 7.640 2.590 0.890 1.00 0.11 H new ATOM 1748 N GLN A 120 10.199 3.834 0.348 1.00 31.12 N ATOM 1749 CA GLN A 120 11.196 3.099 1.070 1.00 33.23 C ATOM 1750 C GLN A 120 12.367 4.017 1.401 1.00 72.40 C ATOM 1751 O GLN A 120 12.841 4.042 2.540 1.00 43.23 O ATOM 1752 CB GLN A 120 11.649 1.885 0.254 1.00 40.35 C ATOM 1753 CG GLN A 120 10.504 0.946 -0.143 1.00 34.24 C ATOM 1754 CD GLN A 120 9.840 0.242 1.040 1.00 63.02 C ATOM 1755 OE1 GLN A 120 8.897 0.746 1.647 1.00 23.33 O ATOM 1756 NE2 GLN A 120 10.303 -0.942 1.347 1.00 74.23 N ATOM 0 H GLN A 120 10.247 3.747 -0.667 1.00 31.12 H new ATOM 0 HA GLN A 120 10.775 2.731 2.006 1.00 33.23 H new ATOM 0 HB2 GLN A 120 12.152 2.232 -0.649 1.00 40.35 H new ATOM 0 HB3 GLN A 120 12.383 1.324 0.832 1.00 40.35 H new ATOM 0 HG2 GLN A 120 9.749 1.518 -0.683 1.00 34.24 H new ATOM 0 HG3 GLN A 120 10.887 0.193 -0.832 1.00 34.24 H new ATOM 0 HE21 GLN A 120 11.087 -1.334 0.825 1.00 74.23 H new ATOM 0 HE22 GLN A 120 9.880 -1.473 2.108 1.00 74.23 H new ATOM 1765 N ILE A 121 12.761 4.827 0.413 1.00 44.35 N ATOM 1766 CA ILE A 121 13.913 5.743 0.519 1.00 24.33 C ATOM 1767 C ILE A 121 13.819 6.624 1.755 1.00 21.44 C ATOM 1768 O ILE A 121 14.766 6.693 2.545 1.00 42.13 O ATOM 1769 CB ILE A 121 14.022 6.678 -0.717 1.00 72.41 C ATOM 1770 CG1 ILE A 121 14.155 5.872 -1.998 1.00 55.24 C ATOM 1771 CG2 ILE A 121 15.214 7.637 -0.576 1.00 21.04 C ATOM 1772 CD1 ILE A 121 14.118 6.727 -3.242 1.00 52.20 C ATOM 0 H ILE A 121 12.290 4.870 -0.491 1.00 44.35 H new ATOM 0 HA ILE A 121 14.794 5.104 0.581 1.00 24.33 H new ATOM 0 HB ILE A 121 13.105 7.265 -0.768 1.00 72.41 H new ATOM 0 HG12 ILE A 121 15.092 5.316 -1.975 1.00 55.24 H new ATOM 0 HG13 ILE A 121 13.350 5.139 -2.044 1.00 55.24 H new ATOM 0 HG21 ILE A 121 15.269 8.281 -1.454 1.00 21.04 H new ATOM 0 HG22 ILE A 121 15.084 8.250 0.316 1.00 21.04 H new ATOM 0 HG23 ILE A 121 16.136 7.062 -0.490 1.00 21.04 H new ATOM 0 HD11 ILE A 121 14.218 6.093 -4.123 1.00 52.20 H new ATOM 0 HD12 ILE A 121 13.170 7.264 -3.287 1.00 52.20 H new ATOM 0 HD13 ILE A 121 14.939 7.443 -3.216 1.00 52.20 H new ATOM 1784 N GLU A 122 12.670 7.247 1.940 1.00 62.23 N ATOM 1785 CA GLU A 122 12.482 8.189 3.022 1.00 51.03 C ATOM 1786 C GLU A 122 12.497 7.463 4.369 1.00 3.24 C ATOM 1787 O GLU A 122 12.841 8.040 5.397 1.00 75.21 O ATOM 1788 CB GLU A 122 11.194 8.994 2.813 1.00 60.33 C ATOM 1789 CG GLU A 122 11.134 10.293 3.609 1.00 24.01 C ATOM 1790 CD GLU A 122 12.305 11.212 3.284 1.00 41.51 C ATOM 1791 OE1 GLU A 122 12.424 11.674 2.123 1.00 23.43 O ATOM 1792 OE2 GLU A 122 13.149 11.448 4.155 1.00 41.25 O ATOM 0 H GLU A 122 11.849 7.115 1.349 1.00 62.23 H new ATOM 0 HA GLU A 122 13.309 8.898 3.027 1.00 51.03 H new ATOM 0 HB2 GLU A 122 11.091 9.225 1.753 1.00 60.33 H new ATOM 0 HB3 GLU A 122 10.342 8.373 3.088 1.00 60.33 H new ATOM 0 HG2 GLU A 122 10.198 10.808 3.394 1.00 24.01 H new ATOM 0 HG3 GLU A 122 11.135 10.066 4.675 1.00 24.01 H new ATOM 1799 N TYR A 123 12.204 6.168 4.353 1.00 54.33 N ATOM 1800 CA TYR A 123 12.263 5.411 5.564 1.00 30.41 C ATOM 1801 C TYR A 123 13.725 5.156 5.899 1.00 62.24 C ATOM 1802 O TYR A 123 14.152 5.340 7.032 1.00 31.13 O ATOM 1803 CB TYR A 123 11.483 4.087 5.454 1.00 71.54 C ATOM 1804 CG TYR A 123 11.598 3.222 6.692 1.00 74.30 C ATOM 1805 CD1 TYR A 123 10.744 3.396 7.773 1.00 21.44 C ATOM 1806 CD2 TYR A 123 12.581 2.248 6.786 1.00 53.01 C ATOM 1807 CE1 TYR A 123 10.873 2.624 8.912 1.00 72.55 C ATOM 1808 CE2 TYR A 123 12.714 1.473 7.910 1.00 34.44 C ATOM 1809 CZ TYR A 123 11.860 1.663 8.974 1.00 61.52 C ATOM 1810 OH TYR A 123 11.999 0.896 10.105 1.00 32.42 O ATOM 0 H TYR A 123 11.930 5.642 3.523 1.00 54.33 H new ATOM 0 HA TYR A 123 11.790 5.981 6.364 1.00 30.41 H new ATOM 0 HB2 TYR A 123 10.432 4.307 5.268 1.00 71.54 H new ATOM 0 HB3 TYR A 123 11.849 3.528 4.593 1.00 71.54 H new ATOM 0 HD1 TYR A 123 9.968 4.145 7.723 1.00 21.44 H new ATOM 0 HD2 TYR A 123 13.256 2.097 5.957 1.00 53.01 H new ATOM 0 HE1 TYR A 123 10.205 2.772 9.748 1.00 72.55 H new ATOM 0 HE2 TYR A 123 13.484 0.718 7.960 1.00 34.44 H new ATOM 0 HH TYR A 123 12.741 0.267 9.984 1.00 32.42 H new ATOM 1820 N VAL A 124 14.493 4.779 4.880 1.00 63.03 N ATOM 1821 CA VAL A 124 15.928 4.493 5.029 1.00 63.54 C ATOM 1822 C VAL A 124 16.643 5.725 5.579 1.00 44.44 C ATOM 1823 O VAL A 124 17.498 5.626 6.458 1.00 55.31 O ATOM 1824 CB VAL A 124 16.580 4.106 3.673 1.00 12.42 C ATOM 1825 CG1 VAL A 124 18.023 3.666 3.865 1.00 13.51 C ATOM 1826 CG2 VAL A 124 15.788 3.023 2.978 1.00 3.12 C ATOM 0 H VAL A 124 14.145 4.662 3.928 1.00 63.03 H new ATOM 0 HA VAL A 124 16.026 3.652 5.715 1.00 63.54 H new ATOM 0 HB VAL A 124 16.574 4.994 3.041 1.00 12.42 H new ATOM 0 HG11 VAL A 124 18.454 3.401 2.900 1.00 13.51 H new ATOM 0 HG12 VAL A 124 18.596 4.481 4.307 1.00 13.51 H new ATOM 0 HG13 VAL A 124 18.054 2.800 4.526 1.00 13.51 H new ATOM 0 HG21 VAL A 124 16.267 2.772 2.032 1.00 3.12 H new ATOM 0 HG22 VAL A 124 15.750 2.137 3.612 1.00 3.12 H new ATOM 0 HG23 VAL A 124 14.775 3.378 2.789 1.00 3.12 H new ATOM 1836 N LYS A 125 16.232 6.878 5.081 1.00 20.22 N ATOM 1837 CA LYS A 125 16.766 8.169 5.492 1.00 10.42 C ATOM 1838 C LYS A 125 16.499 8.466 6.975 1.00 11.45 C ATOM 1839 O LYS A 125 17.225 9.237 7.595 1.00 65.44 O ATOM 1840 CB LYS A 125 16.179 9.272 4.609 1.00 55.25 C ATOM 1841 CG LYS A 125 16.660 9.227 3.156 1.00 11.10 C ATOM 1842 CD LYS A 125 15.853 10.156 2.252 1.00 51.14 C ATOM 1843 CE LYS A 125 15.860 11.601 2.725 1.00 74.32 C ATOM 1844 NZ LYS A 125 14.969 12.436 1.895 1.00 43.43 N ATOM 0 H LYS A 125 15.506 6.947 4.368 1.00 20.22 H new ATOM 0 HA LYS A 125 17.848 8.136 5.368 1.00 10.42 H new ATOM 0 HB2 LYS A 125 15.092 9.195 4.624 1.00 55.25 H new ATOM 0 HB3 LYS A 125 16.436 10.241 5.036 1.00 55.25 H new ATOM 0 HG2 LYS A 125 17.713 9.507 3.115 1.00 11.10 H new ATOM 0 HG3 LYS A 125 16.587 8.206 2.782 1.00 11.10 H new ATOM 0 HD2 LYS A 125 16.256 10.109 1.240 1.00 51.14 H new ATOM 0 HD3 LYS A 125 14.824 9.801 2.202 1.00 51.14 H new ATOM 0 HE2 LYS A 125 15.541 11.648 3.766 1.00 74.32 H new ATOM 0 HE3 LYS A 125 16.875 11.995 2.684 1.00 74.32 H new ATOM 0 HZ1 LYS A 125 14.737 13.311 2.407 1.00 43.43 H new ATOM 0 HZ2 LYS A 125 15.448 12.673 1.003 1.00 43.43 H new ATOM 0 HZ3 LYS A 125 14.094 11.912 1.690 1.00 43.43 H new ATOM 1858 N ALA A 126 15.462 7.863 7.530 1.00 11.21 N ATOM 1859 CA ALA A 126 15.132 8.073 8.928 1.00 44.51 C ATOM 1860 C ALA A 126 15.623 6.910 9.789 1.00 62.14 C ATOM 1861 O ALA A 126 15.725 7.022 11.004 1.00 2.52 O ATOM 1862 CB ALA A 126 13.630 8.261 9.091 1.00 60.13 C ATOM 0 H ALA A 126 14.836 7.227 7.036 1.00 11.21 H new ATOM 0 HA ALA A 126 15.638 8.977 9.266 1.00 44.51 H new ATOM 0 HB1 ALA A 126 13.395 8.418 10.144 1.00 60.13 H new ATOM 0 HB2 ALA A 126 13.307 9.128 8.514 1.00 60.13 H new ATOM 0 HB3 ALA A 126 13.111 7.372 8.732 1.00 60.13 H new ATOM 1868 N ASN A 127 15.897 5.796 9.145 1.00 25.32 N ATOM 1869 CA ASN A 127 16.313 4.574 9.834 1.00 61.12 C ATOM 1870 C ASN A 127 17.828 4.514 10.036 1.00 44.35 C ATOM 1871 O ASN A 127 18.305 4.134 11.108 1.00 61.51 O ATOM 1872 CB ASN A 127 15.819 3.341 9.052 1.00 52.13 C ATOM 1873 CG ASN A 127 16.154 2.006 9.710 1.00 63.02 C ATOM 1874 OD1 ASN A 127 17.191 1.418 9.457 1.00 40.24 O ATOM 1875 ND2 ASN A 127 15.252 1.497 10.518 1.00 3.42 N ATOM 0 H ASN A 127 15.841 5.703 8.131 1.00 25.32 H new ATOM 0 HA ASN A 127 15.861 4.579 10.826 1.00 61.12 H new ATOM 0 HB2 ASN A 127 14.738 3.412 8.930 1.00 52.13 H new ATOM 0 HB3 ASN A 127 16.255 3.360 8.053 1.00 52.13 H new ATOM 0 HD21 ASN A 127 15.411 0.587 10.951 1.00 3.42 H new ATOM 0 HD22 ASN A 127 14.393 2.011 10.712 1.00 3.42 H new ATOM 1882 N LEU A 128 18.581 4.895 9.020 1.00 41.12 N ATOM 1883 CA LEU A 128 20.029 4.838 9.104 1.00 35.51 C ATOM 1884 C LEU A 128 20.609 6.109 9.698 1.00 32.10 C ATOM 1885 O LEU A 128 20.243 7.218 9.300 1.00 42.33 O ATOM 1886 CB LEU A 128 20.705 4.514 7.747 1.00 34.14 C ATOM 1887 CG LEU A 128 20.691 3.044 7.273 1.00 64.14 C ATOM 1888 CD1 LEU A 128 19.284 2.513 7.069 1.00 44.33 C ATOM 1889 CD2 LEU A 128 21.501 2.899 6.000 1.00 51.31 C ATOM 0 H LEU A 128 18.218 5.245 8.133 1.00 41.12 H new ATOM 0 HA LEU A 128 20.252 4.010 9.777 1.00 35.51 H new ATOM 0 HB2 LEU A 128 20.223 5.119 6.979 1.00 34.14 H new ATOM 0 HB3 LEU A 128 21.744 4.839 7.803 1.00 34.14 H new ATOM 0 HG LEU A 128 21.145 2.445 8.063 1.00 64.14 H new ATOM 0 HD11 LEU A 128 19.331 1.476 6.736 1.00 44.33 H new ATOM 0 HD12 LEU A 128 18.735 2.568 8.009 1.00 44.33 H new ATOM 0 HD13 LEU A 128 18.774 3.113 6.315 1.00 44.33 H new ATOM 0 HD21 LEU A 128 21.484 1.859 5.675 1.00 51.31 H new ATOM 0 HD22 LEU A 128 21.071 3.530 5.222 1.00 51.31 H new ATOM 0 HD23 LEU A 128 22.531 3.204 6.187 1.00 51.31 H new ATOM 1901 N PRO A 129 21.523 5.965 10.669 1.00 63.11 N ATOM 1902 CA PRO A 129 22.165 7.094 11.309 1.00 43.22 C ATOM 1903 C PRO A 129 23.176 7.761 10.383 1.00 25.15 C ATOM 1904 O PRO A 129 23.667 7.151 9.421 1.00 53.32 O ATOM 1905 CB PRO A 129 22.873 6.472 12.518 1.00 63.43 C ATOM 1906 CG PRO A 129 23.124 5.061 12.126 1.00 61.21 C ATOM 1907 CD PRO A 129 21.998 4.674 11.210 1.00 61.45 C ATOM 0 HA PRO A 129 21.454 7.874 11.581 1.00 43.22 H new ATOM 0 HB2 PRO A 129 23.804 6.992 12.742 1.00 63.43 H new ATOM 0 HB3 PRO A 129 22.253 6.530 13.413 1.00 63.43 H new ATOM 0 HG2 PRO A 129 24.086 4.962 11.624 1.00 61.21 H new ATOM 0 HG3 PRO A 129 23.154 4.413 13.002 1.00 61.21 H new ATOM 0 HD2 PRO A 129 22.339 4.009 10.416 1.00 61.45 H new ATOM 0 HD3 PRO A 129 21.207 4.150 11.747 1.00 61.45 H new ATOM 1915 N GLN A 130 23.491 8.993 10.672 1.00 72.30 N ATOM 1916 CA GLN A 130 24.409 9.736 9.861 1.00 3.44 C ATOM 1917 C GLN A 130 25.805 9.708 10.462 1.00 50.22 C ATOM 1918 O GLN A 130 26.112 10.438 11.401 1.00 32.52 O ATOM 1919 CB GLN A 130 23.914 11.167 9.655 1.00 12.33 C ATOM 1920 CG GLN A 130 22.574 11.238 8.933 1.00 64.03 C ATOM 1921 CD GLN A 130 22.060 12.650 8.758 1.00 65.42 C ATOM 1922 OE1 GLN A 130 22.820 13.598 8.647 1.00 60.35 O ATOM 1923 NE2 GLN A 130 20.759 12.796 8.731 1.00 12.30 N ATOM 0 H GLN A 130 23.120 9.506 11.472 1.00 72.30 H new ATOM 0 HA GLN A 130 24.464 9.262 8.881 1.00 3.44 H new ATOM 0 HB2 GLN A 130 23.824 11.657 10.624 1.00 12.33 H new ATOM 0 HB3 GLN A 130 24.657 11.724 9.084 1.00 12.33 H new ATOM 0 HG2 GLN A 130 22.673 10.771 7.953 1.00 64.03 H new ATOM 0 HG3 GLN A 130 21.838 10.658 9.490 1.00 64.03 H new ATOM 0 HE21 GLN A 130 20.152 11.982 8.827 1.00 12.30 H new ATOM 0 HE22 GLN A 130 20.352 13.724 8.614 1.00 12.30 H new ATOM 1973 N GLY A 134 26.758 10.622 4.449 1.00 22.31 N ATOM 1974 CA GLY A 134 25.383 10.384 4.160 1.00 0.05 C ATOM 1975 C GLY A 134 24.717 9.565 5.237 1.00 61.11 C ATOM 1976 O GLY A 134 24.432 10.058 6.325 1.00 3.10 O ATOM 0 HA2 GLY A 134 24.864 11.337 4.055 1.00 0.05 H new ATOM 0 HA3 GLY A 134 25.297 9.867 3.205 1.00 0.05 H new ATOM 1980 N TYR A 135 24.489 8.326 4.934 1.00 34.42 N ATOM 1981 CA TYR A 135 23.866 7.401 5.827 1.00 10.11 C ATOM 1982 C TYR A 135 24.800 6.244 6.044 1.00 41.11 C ATOM 1983 O TYR A 135 25.481 5.800 5.117 1.00 51.30 O ATOM 1984 CB TYR A 135 22.513 6.944 5.262 1.00 43.22 C ATOM 1985 CG TYR A 135 21.550 8.094 5.100 1.00 54.24 C ATOM 1986 CD1 TYR A 135 20.883 8.619 6.195 1.00 71.12 C ATOM 1987 CD2 TYR A 135 21.335 8.678 3.857 1.00 44.53 C ATOM 1988 CE1 TYR A 135 20.033 9.693 6.062 1.00 41.41 C ATOM 1989 CE2 TYR A 135 20.481 9.750 3.714 1.00 21.20 C ATOM 1990 CZ TYR A 135 19.833 10.255 4.819 1.00 22.44 C ATOM 1991 OH TYR A 135 18.991 11.336 4.683 1.00 72.11 O ATOM 0 H TYR A 135 24.738 7.919 4.033 1.00 34.42 H new ATOM 0 HA TYR A 135 23.666 7.876 6.787 1.00 10.11 H new ATOM 0 HB2 TYR A 135 22.668 6.462 4.297 1.00 43.22 H new ATOM 0 HB3 TYR A 135 22.077 6.197 5.925 1.00 43.22 H new ATOM 0 HD1 TYR A 135 21.033 8.178 7.169 1.00 71.12 H new ATOM 0 HD2 TYR A 135 21.845 8.285 2.990 1.00 44.53 H new ATOM 0 HE1 TYR A 135 19.525 10.094 6.927 1.00 41.41 H new ATOM 0 HE2 TYR A 135 20.321 10.191 2.741 1.00 21.20 H new ATOM 0 HH TYR A 135 18.961 11.611 3.743 1.00 72.11 H new ATOM 2001 N ASP A 136 24.853 5.784 7.245 1.00 61.10 N ATOM 2002 CA ASP A 136 25.778 4.743 7.629 1.00 53.35 C ATOM 2003 C ASP A 136 25.187 3.361 7.434 1.00 33.41 C ATOM 2004 O ASP A 136 24.430 2.843 8.289 1.00 64.12 O ATOM 2005 CB ASP A 136 26.169 4.944 9.066 1.00 14.31 C ATOM 2006 CG ASP A 136 27.145 3.930 9.582 1.00 31.22 C ATOM 2007 OD1 ASP A 136 26.724 2.892 10.057 1.00 34.33 O ATOM 2008 OD2 ASP A 136 28.351 4.204 9.603 1.00 34.52 O ATOM 0 H ASP A 136 24.256 6.114 8.004 1.00 61.10 H new ATOM 0 HA ASP A 136 26.657 4.809 6.988 1.00 53.35 H new ATOM 0 HB2 ASP A 136 26.601 5.938 9.178 1.00 14.31 H new ATOM 0 HB3 ASP A 136 25.271 4.915 9.683 1.00 14.31 H new ATOM 2013 N TYR A 137 25.534 2.717 6.333 1.00 62.01 N ATOM 2014 CA TYR A 137 24.984 1.403 6.087 1.00 25.15 C ATOM 2015 C TYR A 137 25.719 0.356 6.919 1.00 0.32 C ATOM 2016 O TYR A 137 25.376 -0.831 6.917 1.00 2.10 O ATOM 2017 CB TYR A 137 24.898 1.038 4.585 1.00 30.31 C ATOM 2018 CG TYR A 137 26.099 0.372 3.946 1.00 42.41 C ATOM 2019 CD1 TYR A 137 27.114 1.101 3.370 1.00 35.02 C ATOM 2020 CD2 TYR A 137 26.182 -1.014 3.895 1.00 21.22 C ATOM 2021 CE1 TYR A 137 28.180 0.467 2.770 1.00 32.52 C ATOM 2022 CE2 TYR A 137 27.236 -1.655 3.299 1.00 13.55 C ATOM 2023 CZ TYR A 137 28.234 -0.917 2.740 1.00 42.34 C ATOM 2024 OH TYR A 137 29.289 -1.554 2.128 1.00 41.20 O ATOM 0 H TYR A 137 26.172 3.070 5.620 1.00 62.01 H new ATOM 0 HA TYR A 137 23.945 1.420 6.415 1.00 25.15 H new ATOM 0 HB2 TYR A 137 24.040 0.380 4.450 1.00 30.31 H new ATOM 0 HB3 TYR A 137 24.689 1.953 4.030 1.00 30.31 H new ATOM 0 HD1 TYR A 137 27.075 2.180 3.388 1.00 35.02 H new ATOM 0 HD2 TYR A 137 25.393 -1.603 4.338 1.00 21.22 H new ATOM 0 HE1 TYR A 137 28.973 1.049 2.323 1.00 32.52 H new ATOM 0 HE2 TYR A 137 27.275 -2.734 3.273 1.00 13.55 H new ATOM 0 HH TYR A 137 30.031 -0.924 2.016 1.00 41.20 H new ATOM 2034 N ALA A 138 26.693 0.812 7.684 1.00 22.14 N ATOM 2035 CA ALA A 138 27.382 -0.037 8.595 1.00 34.52 C ATOM 2036 C ALA A 138 26.466 -0.354 9.769 1.00 63.31 C ATOM 2037 O ALA A 138 26.675 -1.347 10.469 1.00 12.42 O ATOM 2038 CB ALA A 138 28.698 0.566 9.044 1.00 41.32 C ATOM 0 H ALA A 138 27.016 1.779 7.680 1.00 22.14 H new ATOM 0 HA ALA A 138 27.639 -0.968 8.089 1.00 34.52 H new ATOM 0 HB1 ALA A 138 29.192 -0.114 9.738 1.00 41.32 H new ATOM 0 HB2 ALA A 138 29.339 0.728 8.177 1.00 41.32 H new ATOM 0 HB3 ALA A 138 28.511 1.519 9.540 1.00 41.32 H new ATOM 2044 N ALA A 139 25.415 0.477 9.957 1.00 32.40 N ATOM 2045 CA ALA A 139 24.385 0.203 10.955 1.00 13.14 C ATOM 2046 C ALA A 139 23.628 -1.049 10.561 1.00 52.33 C ATOM 2047 O ALA A 139 23.177 -1.812 11.394 1.00 32.31 O ATOM 2048 CB ALA A 139 23.412 1.359 11.042 1.00 23.41 C ATOM 0 H ALA A 139 25.268 1.336 9.427 1.00 32.40 H new ATOM 0 HA ALA A 139 24.863 0.066 11.925 1.00 13.14 H new ATOM 0 HB1 ALA A 139 22.651 1.138 11.790 1.00 23.41 H new ATOM 0 HB2 ALA A 139 23.948 2.265 11.325 1.00 23.41 H new ATOM 0 HB3 ALA A 139 22.936 1.507 10.073 1.00 23.41 H new ATOM 2054 N TRP A 140 23.532 -1.244 9.273 1.00 71.05 N ATOM 2055 CA TRP A 140 22.847 -2.367 8.693 1.00 21.42 C ATOM 2056 C TRP A 140 23.701 -3.636 8.782 1.00 34.12 C ATOM 2057 O TRP A 140 23.263 -4.643 9.310 1.00 75.03 O ATOM 2058 CB TRP A 140 22.484 -2.026 7.231 1.00 3.35 C ATOM 2059 CG TRP A 140 21.995 -3.172 6.404 1.00 35.34 C ATOM 2060 CD1 TRP A 140 20.753 -3.720 6.411 1.00 40.14 C ATOM 2061 CD2 TRP A 140 22.753 -3.895 5.427 1.00 71.45 C ATOM 2062 NE1 TRP A 140 20.697 -4.755 5.497 1.00 12.21 N ATOM 2063 CE2 TRP A 140 21.915 -4.873 4.883 1.00 35.54 C ATOM 2064 CE3 TRP A 140 24.065 -3.804 4.967 1.00 61.12 C ATOM 2065 CZ2 TRP A 140 22.345 -5.757 3.897 1.00 63.33 C ATOM 2066 CZ3 TRP A 140 24.493 -4.677 3.992 1.00 65.20 C ATOM 2067 CH2 TRP A 140 23.635 -5.641 3.465 1.00 65.51 C ATOM 0 H TRP A 140 23.937 -0.612 8.583 1.00 71.05 H new ATOM 0 HA TRP A 140 21.931 -2.566 9.249 1.00 21.42 H new ATOM 0 HB2 TRP A 140 21.717 -1.252 7.237 1.00 3.35 H new ATOM 0 HB3 TRP A 140 23.363 -1.600 6.747 1.00 3.35 H new ATOM 0 HD1 TRP A 140 19.934 -3.396 7.036 1.00 40.14 H new ATOM 0 HE1 TRP A 140 19.880 -5.337 5.310 1.00 12.21 H new ATOM 0 HE3 TRP A 140 24.736 -3.060 5.369 1.00 61.12 H new ATOM 0 HZ2 TRP A 140 21.683 -6.506 3.489 1.00 63.33 H new ATOM 0 HZ3 TRP A 140 25.509 -4.614 3.630 1.00 65.20 H new ATOM 0 HH2 TRP A 140 23.998 -6.310 2.699 1.00 65.51 H new