USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 NoAdj : A 77 ASN H : A 76 ASP C : A 136 CACA :(metal ligand) USER MOD Set 1.1: A 11 HIS : no HD1:sc= -0.578 K(o=-1.4,f=0.42) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.849 K(o=-1.4,f=0.42) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0164 (180deg=-0.169) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0322 USER MOD Single : A 13 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 1.48 (180deg=1.38) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -140:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0894 USER MOD Single : A 25 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.93) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0385 (180deg=-0.353) USER MOD Single : A 37 SER OG : rot -67:sc= 0.861 USER MOD Single : A 38 SER OG : rot -102:sc= 1.13 USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 0.259 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 46:sc= 0.381 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0918 USER MOD Single : A 67 SER OG : rot 53:sc= 0.892 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -43:sc= 0.711 USER MOD Single : A 77 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 178:sc= -0.596 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.87! C(o=-4.9!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.726 10.373 -7.440 1.00 22.03 N ATOM 2 CA MET A 1 -0.756 9.745 -6.550 1.00 11.45 C ATOM 3 C MET A 1 -1.133 8.293 -6.272 1.00 43.53 C ATOM 4 O MET A 1 -0.264 7.433 -6.135 1.00 34.11 O ATOM 5 CB MET A 1 -0.663 10.521 -5.234 1.00 31.52 C ATOM 6 CG MET A 1 0.716 10.471 -4.596 1.00 14.43 C ATOM 7 SD MET A 1 0.736 9.530 -3.058 1.00 1.21 S ATOM 8 CE MET A 1 0.510 10.839 -1.857 1.00 3.44 C ATOM 0 H1 MET A 1 -1.343 11.274 -7.790 1.00 22.03 H new ATOM 0 H2 MET A 1 -1.918 9.742 -8.244 1.00 22.03 H new ATOM 0 H3 MET A 1 -2.609 10.551 -6.921 1.00 22.03 H new ATOM 0 HA MET A 1 0.216 9.761 -7.043 1.00 11.45 H new ATOM 0 HB2 MET A 1 -0.933 11.561 -5.415 1.00 31.52 H new ATOM 0 HB3 MET A 1 -1.394 10.119 -4.532 1.00 31.52 H new ATOM 0 HG2 MET A 1 1.421 10.027 -5.298 1.00 14.43 H new ATOM 0 HG3 MET A 1 1.059 11.487 -4.400 1.00 14.43 H new ATOM 0 HE1 MET A 1 0.501 10.414 -0.853 1.00 3.44 H new ATOM 0 HE2 MET A 1 1.328 11.555 -1.941 1.00 3.44 H new ATOM 0 HE3 MET A 1 -0.436 11.346 -2.045 1.00 3.44 H new ATOM 18 N ASN A 2 -2.433 8.029 -6.191 1.00 43.11 N ATOM 19 CA ASN A 2 -2.924 6.681 -5.929 1.00 64.02 C ATOM 20 C ASN A 2 -3.244 5.956 -7.233 1.00 25.22 C ATOM 21 O ASN A 2 -4.213 6.284 -7.916 1.00 11.12 O ATOM 22 CB ASN A 2 -4.169 6.733 -5.042 1.00 73.34 C ATOM 23 CG ASN A 2 -3.834 7.013 -3.590 1.00 41.33 C ATOM 24 OD1 ASN A 2 -2.932 7.796 -3.290 1.00 32.21 O ATOM 25 ND2 ASN A 2 -4.560 6.374 -2.681 1.00 74.42 N ATOM 0 H ASN A 2 -3.165 8.730 -6.303 1.00 43.11 H new ATOM 0 HA ASN A 2 -2.140 6.129 -5.410 1.00 64.02 H new ATOM 0 HB2 ASN A 2 -4.843 7.506 -5.412 1.00 73.34 H new ATOM 0 HB3 ASN A 2 -4.702 5.785 -5.113 1.00 73.34 H new ATOM 0 HD21 ASN A 2 -4.380 6.523 -1.688 1.00 74.42 H new ATOM 0 HD22 ASN A 2 -5.298 5.734 -2.975 1.00 74.42 H new ATOM 32 N ALA A 3 -2.422 4.968 -7.571 1.00 24.30 N ATOM 33 CA ALA A 3 -2.618 4.194 -8.791 1.00 12.14 C ATOM 34 C ALA A 3 -2.860 2.722 -8.474 1.00 44.01 C ATOM 35 O ALA A 3 -2.107 1.852 -8.912 1.00 35.13 O ATOM 36 CB ALA A 3 -1.417 4.348 -9.712 1.00 74.33 C ATOM 0 H ALA A 3 -1.614 4.685 -7.017 1.00 24.30 H new ATOM 0 HA ALA A 3 -3.502 4.579 -9.299 1.00 12.14 H new ATOM 0 HB1 ALA A 3 -1.577 3.765 -10.619 1.00 74.33 H new ATOM 0 HB2 ALA A 3 -1.291 5.399 -9.974 1.00 74.33 H new ATOM 0 HB3 ALA A 3 -0.521 3.991 -9.204 1.00 74.33 H new ATOM 42 N ALA A 4 -3.913 2.451 -7.711 1.00 30.24 N ATOM 43 CA ALA A 4 -4.254 1.084 -7.337 1.00 21.22 C ATOM 44 C ALA A 4 -5.747 0.947 -7.057 1.00 43.05 C ATOM 45 O ALA A 4 -6.151 0.258 -6.122 1.00 32.03 O ATOM 46 CB ALA A 4 -3.446 0.652 -6.122 1.00 61.32 C ATOM 0 H ALA A 4 -4.545 3.160 -7.339 1.00 30.24 H new ATOM 0 HA ALA A 4 -4.007 0.432 -8.175 1.00 21.22 H new ATOM 0 HB1 ALA A 4 -3.711 -0.371 -5.854 1.00 61.32 H new ATOM 0 HB2 ALA A 4 -2.383 0.702 -6.356 1.00 61.32 H new ATOM 0 HB3 ALA A 4 -3.665 1.315 -5.285 1.00 61.32 H new ATOM 52 N GLU A 5 -6.560 1.608 -7.875 1.00 12.41 N ATOM 53 CA GLU A 5 -8.009 1.561 -7.713 1.00 64.22 C ATOM 54 C GLU A 5 -8.712 1.765 -9.052 1.00 14.54 C ATOM 55 O GLU A 5 -8.858 2.893 -9.523 1.00 41.33 O ATOM 56 CB GLU A 5 -8.468 2.626 -6.715 1.00 21.51 C ATOM 57 CG GLU A 5 -7.807 2.508 -5.352 1.00 64.40 C ATOM 58 CD GLU A 5 -8.328 3.529 -4.360 1.00 41.43 C ATOM 59 OE1 GLU A 5 -9.411 3.299 -3.784 1.00 32.41 O ATOM 60 OE2 GLU A 5 -7.651 4.560 -4.161 1.00 15.23 O ATOM 0 H GLU A 5 -6.241 2.182 -8.656 1.00 12.41 H new ATOM 0 HA GLU A 5 -8.275 0.576 -7.329 1.00 64.22 H new ATOM 0 HB2 GLU A 5 -8.258 3.613 -7.127 1.00 21.51 H new ATOM 0 HB3 GLU A 5 -9.549 2.555 -6.593 1.00 21.51 H new ATOM 0 HG2 GLU A 5 -7.974 1.506 -4.957 1.00 64.40 H new ATOM 0 HG3 GLU A 5 -6.730 2.632 -5.463 1.00 64.40 H new ATOM 67 N VAL A 6 -9.147 0.666 -9.659 1.00 71.03 N ATOM 68 CA VAL A 6 -9.836 0.723 -10.943 1.00 11.51 C ATOM 69 C VAL A 6 -11.280 0.250 -10.814 1.00 4.35 C ATOM 70 O VAL A 6 -11.544 -0.948 -10.714 1.00 22.31 O ATOM 71 CB VAL A 6 -9.120 -0.133 -12.003 1.00 64.44 C ATOM 72 CG1 VAL A 6 -10.018 -0.349 -13.212 1.00 22.12 C ATOM 73 CG2 VAL A 6 -7.806 0.516 -12.414 1.00 35.31 C ATOM 0 H VAL A 6 -9.035 -0.275 -9.282 1.00 71.03 H new ATOM 0 HA VAL A 6 -9.825 1.765 -11.261 1.00 11.51 H new ATOM 0 HB VAL A 6 -8.897 -1.107 -11.567 1.00 64.44 H new ATOM 0 HG11 VAL A 6 -9.494 -0.956 -13.950 1.00 22.12 H new ATOM 0 HG12 VAL A 6 -10.929 -0.861 -12.902 1.00 22.12 H new ATOM 0 HG13 VAL A 6 -10.275 0.615 -13.651 1.00 22.12 H new ATOM 0 HG21 VAL A 6 -7.313 -0.103 -13.164 1.00 35.31 H new ATOM 0 HG22 VAL A 6 -8.003 1.504 -12.831 1.00 35.31 H new ATOM 0 HG23 VAL A 6 -7.159 0.613 -11.542 1.00 35.31 H new ATOM 83 N ILE A 7 -12.210 1.199 -10.816 1.00 62.12 N ATOM 84 CA ILE A 7 -13.627 0.879 -10.701 1.00 31.32 C ATOM 85 C ILE A 7 -14.360 1.148 -12.011 1.00 30.14 C ATOM 86 O ILE A 7 -14.446 2.290 -12.463 1.00 74.40 O ATOM 87 CB ILE A 7 -14.297 1.688 -9.575 1.00 13.12 C ATOM 88 CG1 ILE A 7 -15.817 1.521 -9.632 1.00 31.42 C ATOM 89 CG2 ILE A 7 -13.916 3.157 -9.680 1.00 15.31 C ATOM 90 CD1 ILE A 7 -16.455 1.328 -8.274 1.00 11.11 C ATOM 0 H ILE A 7 -12.008 2.195 -10.896 1.00 62.12 H new ATOM 0 HA ILE A 7 -13.692 -0.183 -10.463 1.00 31.32 H new ATOM 0 HB ILE A 7 -13.945 1.309 -8.616 1.00 13.12 H new ATOM 0 HG12 ILE A 7 -16.253 2.399 -10.108 1.00 31.42 H new ATOM 0 HG13 ILE A 7 -16.057 0.665 -10.262 1.00 31.42 H new ATOM 0 HG21 ILE A 7 -14.397 3.716 -8.877 1.00 15.31 H new ATOM 0 HG22 ILE A 7 -12.834 3.259 -9.595 1.00 15.31 H new ATOM 0 HG23 ILE A 7 -14.243 3.550 -10.643 1.00 15.31 H new ATOM 0 HD11 ILE A 7 -17.533 1.216 -8.391 1.00 11.11 H new ATOM 0 HD12 ILE A 7 -16.046 0.433 -7.804 1.00 11.11 H new ATOM 0 HD13 ILE A 7 -16.246 2.195 -7.647 1.00 11.11 H new ATOM 102 N VAL A 8 -14.889 0.089 -12.615 1.00 64.42 N ATOM 103 CA VAL A 8 -15.617 0.210 -13.872 1.00 54.31 C ATOM 104 C VAL A 8 -16.982 -0.464 -13.784 1.00 23.31 C ATOM 105 O VAL A 8 -17.215 -1.306 -12.916 1.00 2.22 O ATOM 106 CB VAL A 8 -14.827 -0.406 -15.041 1.00 63.34 C ATOM 107 CG1 VAL A 8 -13.486 0.293 -15.208 1.00 14.35 C ATOM 108 CG2 VAL A 8 -14.635 -1.900 -14.825 1.00 43.22 C ATOM 0 H VAL A 8 -14.827 -0.863 -12.254 1.00 64.42 H new ATOM 0 HA VAL A 8 -15.752 1.276 -14.057 1.00 54.31 H new ATOM 0 HB VAL A 8 -15.400 -0.264 -15.958 1.00 63.34 H new ATOM 0 HG11 VAL A 8 -12.942 -0.156 -16.039 1.00 14.35 H new ATOM 0 HG12 VAL A 8 -13.650 1.351 -15.412 1.00 14.35 H new ATOM 0 HG13 VAL A 8 -12.903 0.186 -14.293 1.00 14.35 H new ATOM 0 HG21 VAL A 8 -14.075 -2.319 -15.661 1.00 43.22 H new ATOM 0 HG22 VAL A 8 -14.084 -2.066 -13.899 1.00 43.22 H new ATOM 0 HG23 VAL A 8 -15.608 -2.386 -14.760 1.00 43.22 H new ATOM 118 N TYR A 9 -17.880 -0.090 -14.688 1.00 20.01 N ATOM 119 CA TYR A 9 -19.223 -0.657 -14.711 1.00 61.54 C ATOM 120 C TYR A 9 -19.581 -1.152 -16.110 1.00 10.14 C ATOM 121 O TYR A 9 -19.363 -0.455 -17.100 1.00 62.42 O ATOM 122 CB TYR A 9 -20.246 0.381 -14.248 1.00 31.32 C ATOM 123 CG TYR A 9 -20.184 0.672 -12.765 1.00 74.34 C ATOM 124 CD1 TYR A 9 -19.105 1.352 -12.216 1.00 1.44 C ATOM 125 CD2 TYR A 9 -21.205 0.265 -11.914 1.00 45.33 C ATOM 126 CE1 TYR A 9 -19.044 1.620 -10.862 1.00 23.03 C ATOM 127 CE2 TYR A 9 -21.152 0.530 -10.559 1.00 74.25 C ATOM 128 CZ TYR A 9 -20.070 1.207 -10.038 1.00 10.11 C ATOM 129 OH TYR A 9 -20.014 1.471 -8.689 1.00 3.34 O ATOM 0 H TYR A 9 -17.702 0.603 -15.415 1.00 20.01 H new ATOM 0 HA TYR A 9 -19.243 -1.506 -14.028 1.00 61.54 H new ATOM 0 HB2 TYR A 9 -20.086 1.308 -14.799 1.00 31.32 H new ATOM 0 HB3 TYR A 9 -21.247 0.030 -14.499 1.00 31.32 H new ATOM 0 HD1 TYR A 9 -18.300 1.677 -12.858 1.00 1.44 H new ATOM 0 HD2 TYR A 9 -22.053 -0.267 -12.319 1.00 45.33 H new ATOM 0 HE1 TYR A 9 -18.197 2.150 -10.451 1.00 23.03 H new ATOM 0 HE2 TYR A 9 -21.954 0.208 -9.911 1.00 74.25 H new ATOM 0 HH TYR A 9 -20.815 1.114 -8.252 1.00 3.34 H new ATOM 139 N GLU A 10 -20.133 -2.359 -16.180 1.00 61.30 N ATOM 140 CA GLU A 10 -20.521 -2.948 -17.456 1.00 55.44 C ATOM 141 C GLU A 10 -21.992 -2.672 -17.758 1.00 2.54 C ATOM 142 O GLU A 10 -22.655 -3.454 -18.439 1.00 41.34 O ATOM 143 CB GLU A 10 -20.266 -4.456 -17.447 1.00 30.22 C ATOM 144 CG GLU A 10 -19.646 -4.977 -18.733 1.00 1.35 C ATOM 145 CD GLU A 10 -18.347 -4.276 -19.079 1.00 25.11 C ATOM 146 OE1 GLU A 10 -17.711 -3.719 -18.160 1.00 5.32 O ATOM 147 OE2 GLU A 10 -17.966 -4.285 -20.268 1.00 42.30 O ATOM 0 H GLU A 10 -20.321 -2.948 -15.369 1.00 61.30 H new ATOM 0 HA GLU A 10 -19.915 -2.489 -18.237 1.00 55.44 H new ATOM 0 HB2 GLU A 10 -19.609 -4.700 -16.612 1.00 30.22 H new ATOM 0 HB3 GLU A 10 -21.209 -4.974 -17.272 1.00 30.22 H new ATOM 0 HG2 GLU A 10 -19.463 -6.047 -18.636 1.00 1.35 H new ATOM 0 HG3 GLU A 10 -20.354 -4.848 -19.552 1.00 1.35 H new ATOM 154 N HIS A 11 -22.495 -1.554 -17.244 1.00 13.32 N ATOM 155 CA HIS A 11 -23.887 -1.173 -17.457 1.00 72.42 C ATOM 156 C HIS A 11 -24.168 0.208 -16.874 1.00 54.22 C ATOM 157 O HIS A 11 -23.247 0.940 -16.513 1.00 41.43 O ATOM 158 CB HIS A 11 -24.822 -2.206 -16.827 1.00 13.22 C ATOM 159 CG HIS A 11 -25.921 -2.656 -17.740 1.00 44.23 C ATOM 160 ND1 HIS A 11 -26.449 -1.857 -18.732 1.00 71.14 N ATOM 161 CD2 HIS A 11 -26.589 -3.831 -17.809 1.00 52.32 C ATOM 162 CE1 HIS A 11 -27.396 -2.520 -19.371 1.00 35.53 C ATOM 163 NE2 HIS A 11 -27.501 -3.721 -18.830 1.00 60.11 N ATOM 0 H HIS A 11 -21.960 -0.896 -16.677 1.00 13.32 H new ATOM 0 HA HIS A 11 -24.068 -1.137 -18.531 1.00 72.42 H new ATOM 0 HB2 HIS A 11 -24.238 -3.074 -16.521 1.00 13.22 H new ATOM 0 HB3 HIS A 11 -25.262 -1.783 -15.924 1.00 13.22 H new ATOM 0 HD2 HIS A 11 -26.434 -4.694 -17.179 1.00 52.32 H new ATOM 0 HE1 HIS A 11 -27.984 -2.144 -20.195 1.00 35.53 H new ATOM 0 HE2 HIS A 11 -28.153 -4.448 -19.123 1.00 60.11 H new ATOM 171 N VAL A 12 -25.448 0.559 -16.786 1.00 24.22 N ATOM 172 CA VAL A 12 -25.850 1.852 -16.247 1.00 13.24 C ATOM 173 C VAL A 12 -25.358 2.028 -14.814 1.00 73.33 C ATOM 174 O VAL A 12 -24.837 1.093 -14.207 1.00 52.15 O ATOM 175 CB VAL A 12 -27.381 2.021 -16.276 1.00 70.43 C ATOM 176 CG1 VAL A 12 -28.000 1.505 -14.986 1.00 52.30 C ATOM 177 CG2 VAL A 12 -27.752 3.477 -16.511 1.00 2.23 C ATOM 0 H VAL A 12 -26.223 -0.034 -17.081 1.00 24.22 H new ATOM 0 HA VAL A 12 -25.395 2.614 -16.881 1.00 13.24 H new ATOM 0 HB VAL A 12 -27.779 1.431 -17.102 1.00 70.43 H new ATOM 0 HG11 VAL A 12 -29.082 1.633 -15.025 1.00 52.30 H new ATOM 0 HG12 VAL A 12 -27.764 0.448 -14.866 1.00 52.30 H new ATOM 0 HG13 VAL A 12 -27.599 2.064 -14.141 1.00 52.30 H new ATOM 0 HG21 VAL A 12 -28.837 3.578 -16.529 1.00 2.23 H new ATOM 0 HG22 VAL A 12 -27.344 4.091 -15.708 1.00 2.23 H new ATOM 0 HG23 VAL A 12 -27.342 3.808 -17.465 1.00 2.23 H new ATOM 187 N ASN A 13 -25.528 3.233 -14.280 1.00 33.44 N ATOM 188 CA ASN A 13 -25.101 3.531 -12.917 1.00 53.45 C ATOM 189 C ASN A 13 -26.192 3.169 -11.914 1.00 2.42 C ATOM 190 O ASN A 13 -26.438 3.904 -10.957 1.00 33.33 O ATOM 191 CB ASN A 13 -24.743 5.013 -12.786 1.00 55.25 C ATOM 192 CG ASN A 13 -23.681 5.260 -11.733 1.00 45.44 C ATOM 193 OD1 ASN A 13 -22.660 4.573 -11.692 1.00 34.51 O ATOM 194 ND2 ASN A 13 -23.916 6.246 -10.876 1.00 2.44 N ATOM 0 H ASN A 13 -25.958 4.018 -14.769 1.00 33.44 H new ATOM 0 HA ASN A 13 -24.218 2.930 -12.699 1.00 53.45 H new ATOM 0 HB2 ASN A 13 -24.391 5.385 -13.748 1.00 55.25 H new ATOM 0 HB3 ASN A 13 -25.639 5.580 -12.534 1.00 55.25 H new ATOM 0 HD21 ASN A 13 -23.236 6.460 -10.146 1.00 2.44 H new ATOM 0 HD22 ASN A 13 -24.776 6.790 -10.947 1.00 2.44 H new ATOM 201 N PHE A 14 -26.842 2.032 -12.139 1.00 2.40 N ATOM 202 CA PHE A 14 -27.906 1.572 -11.255 1.00 55.40 C ATOM 203 C PHE A 14 -28.571 0.317 -11.812 1.00 32.22 C ATOM 204 O PHE A 14 -29.785 0.144 -11.705 1.00 44.10 O ATOM 205 CB PHE A 14 -28.951 2.674 -11.064 1.00 20.04 C ATOM 206 CG PHE A 14 -29.361 3.340 -12.346 1.00 13.34 C ATOM 207 CD1 PHE A 14 -30.293 2.747 -13.183 1.00 2.33 C ATOM 208 CD2 PHE A 14 -28.816 4.560 -12.713 1.00 71.35 C ATOM 209 CE1 PHE A 14 -30.671 3.358 -14.363 1.00 54.02 C ATOM 210 CE2 PHE A 14 -29.191 5.175 -13.893 1.00 12.42 C ATOM 211 CZ PHE A 14 -30.121 4.574 -14.718 1.00 40.12 C ATOM 0 H PHE A 14 -26.650 1.412 -12.926 1.00 2.40 H new ATOM 0 HA PHE A 14 -27.463 1.329 -10.289 1.00 55.40 H new ATOM 0 HB2 PHE A 14 -29.834 2.248 -10.587 1.00 20.04 H new ATOM 0 HB3 PHE A 14 -28.553 3.427 -10.384 1.00 20.04 H new ATOM 0 HD1 PHE A 14 -30.728 1.797 -12.910 1.00 2.33 H new ATOM 0 HD2 PHE A 14 -28.090 5.036 -12.070 1.00 71.35 H new ATOM 0 HE1 PHE A 14 -31.397 2.885 -15.008 1.00 54.02 H new ATOM 0 HE2 PHE A 14 -28.757 6.125 -14.169 1.00 12.42 H new ATOM 0 HZ PHE A 14 -30.418 5.054 -15.639 1.00 40.12 H new ATOM 221 N GLY A 15 -27.766 -0.558 -12.408 1.00 1.44 N ATOM 222 CA GLY A 15 -28.293 -1.786 -12.973 1.00 41.33 C ATOM 223 C GLY A 15 -27.224 -2.615 -13.656 1.00 25.44 C ATOM 224 O GLY A 15 -27.449 -3.169 -14.731 1.00 34.44 O ATOM 0 H GLY A 15 -26.758 -0.438 -12.509 1.00 1.44 H new ATOM 0 HA2 GLY A 15 -28.757 -2.376 -12.183 1.00 41.33 H new ATOM 0 HA3 GLY A 15 -29.076 -1.545 -13.692 1.00 41.33 H new ATOM 228 N GLY A 16 -26.053 -2.701 -13.030 1.00 13.51 N ATOM 229 CA GLY A 16 -24.962 -3.469 -13.599 1.00 42.13 C ATOM 230 C GLY A 16 -23.911 -3.834 -12.570 1.00 20.12 C ATOM 231 O GLY A 16 -23.907 -3.302 -11.460 1.00 3.33 O ATOM 0 H GLY A 16 -25.842 -2.252 -12.139 1.00 13.51 H new ATOM 0 HA2 GLY A 16 -25.358 -4.380 -14.048 1.00 42.13 H new ATOM 0 HA3 GLY A 16 -24.497 -2.895 -14.401 1.00 42.13 H new ATOM 235 N LYS A 17 -23.018 -4.747 -12.937 1.00 4.34 N ATOM 236 CA LYS A 17 -21.956 -5.184 -12.037 1.00 75.14 C ATOM 237 C LYS A 17 -20.723 -4.299 -12.181 1.00 4.24 C ATOM 238 O LYS A 17 -20.291 -3.994 -13.292 1.00 73.25 O ATOM 239 CB LYS A 17 -21.587 -6.642 -12.322 1.00 13.31 C ATOM 240 CG LYS A 17 -20.332 -7.103 -11.602 1.00 44.33 C ATOM 241 CD LYS A 17 -19.266 -7.566 -12.581 1.00 71.15 C ATOM 242 CE LYS A 17 -18.832 -6.440 -13.507 1.00 2.21 C ATOM 243 NZ LYS A 17 -17.802 -6.891 -14.484 1.00 55.41 N ATOM 0 H LYS A 17 -23.008 -5.199 -13.851 1.00 4.34 H new ATOM 0 HA LYS A 17 -22.323 -5.101 -11.014 1.00 75.14 H new ATOM 0 HB2 LYS A 17 -22.419 -7.282 -12.030 1.00 13.31 H new ATOM 0 HB3 LYS A 17 -21.448 -6.770 -13.395 1.00 13.31 H new ATOM 0 HG2 LYS A 17 -19.940 -6.288 -10.994 1.00 44.33 H new ATOM 0 HG3 LYS A 17 -20.580 -7.917 -10.921 1.00 44.33 H new ATOM 0 HD2 LYS A 17 -18.402 -7.939 -12.030 1.00 71.15 H new ATOM 0 HD3 LYS A 17 -19.650 -8.397 -13.172 1.00 71.15 H new ATOM 0 HE2 LYS A 17 -19.699 -6.057 -14.045 1.00 2.21 H new ATOM 0 HE3 LYS A 17 -18.435 -5.616 -12.915 1.00 2.21 H new ATOM 0 HZ1 LYS A 17 -17.631 -6.138 -15.181 1.00 55.41 H new ATOM 0 HZ2 LYS A 17 -16.917 -7.105 -13.982 1.00 55.41 H new ATOM 0 HZ3 LYS A 17 -18.138 -7.745 -14.973 1.00 55.41 H new ATOM 257 N SER A 18 -20.158 -3.890 -11.049 1.00 33.34 N ATOM 258 CA SER A 18 -18.975 -3.038 -11.048 1.00 60.14 C ATOM 259 C SER A 18 -17.724 -3.845 -10.714 1.00 72.32 C ATOM 260 O SER A 18 -17.779 -4.808 -9.949 1.00 22.21 O ATOM 261 CB SER A 18 -19.143 -1.897 -10.044 1.00 3.34 C ATOM 262 OG SER A 18 -18.452 -2.173 -8.838 1.00 30.44 O ATOM 0 H SER A 18 -20.501 -4.135 -10.120 1.00 33.34 H new ATOM 0 HA SER A 18 -18.859 -2.619 -12.047 1.00 60.14 H new ATOM 0 HB2 SER A 18 -18.769 -0.969 -10.477 1.00 3.34 H new ATOM 0 HB3 SER A 18 -20.202 -1.746 -9.834 1.00 3.34 H new ATOM 0 HG SER A 18 -18.574 -1.428 -8.213 1.00 30.44 H new ATOM 268 N PHE A 19 -16.597 -3.445 -11.294 1.00 73.50 N ATOM 269 CA PHE A 19 -15.332 -4.131 -11.060 1.00 21.34 C ATOM 270 C PHE A 19 -14.354 -3.229 -10.312 1.00 55.22 C ATOM 271 O PHE A 19 -13.688 -2.386 -10.913 1.00 2.23 O ATOM 272 CB PHE A 19 -14.717 -4.579 -12.387 1.00 23.40 C ATOM 273 CG PHE A 19 -14.645 -6.072 -12.541 1.00 3.23 C ATOM 274 CD1 PHE A 19 -15.723 -6.870 -12.194 1.00 1.01 C ATOM 275 CD2 PHE A 19 -13.499 -6.676 -13.033 1.00 32.44 C ATOM 276 CE1 PHE A 19 -15.659 -8.243 -12.334 1.00 22.53 C ATOM 277 CE2 PHE A 19 -13.429 -8.049 -13.175 1.00 34.50 C ATOM 278 CZ PHE A 19 -14.511 -8.834 -12.826 1.00 12.20 C ATOM 0 H PHE A 19 -16.534 -2.649 -11.929 1.00 73.50 H new ATOM 0 HA PHE A 19 -15.532 -5.009 -10.446 1.00 21.34 H new ATOM 0 HB2 PHE A 19 -15.303 -4.165 -13.208 1.00 23.40 H new ATOM 0 HB3 PHE A 19 -13.713 -4.164 -12.471 1.00 23.40 H new ATOM 0 HD1 PHE A 19 -16.623 -6.414 -11.810 1.00 1.01 H new ATOM 0 HD2 PHE A 19 -12.651 -6.067 -13.309 1.00 32.44 H new ATOM 0 HE1 PHE A 19 -16.506 -8.854 -12.059 1.00 22.53 H new ATOM 0 HE2 PHE A 19 -12.530 -8.508 -13.558 1.00 34.50 H new ATOM 0 HZ PHE A 19 -14.460 -9.907 -12.937 1.00 12.20 H new ATOM 288 N ASP A 20 -14.276 -3.412 -8.999 1.00 2.22 N ATOM 289 CA ASP A 20 -13.380 -2.615 -8.168 1.00 71.31 C ATOM 290 C ASP A 20 -12.164 -3.432 -7.742 1.00 35.25 C ATOM 291 O ASP A 20 -12.204 -4.146 -6.740 1.00 13.55 O ATOM 292 CB ASP A 20 -14.120 -2.097 -6.934 1.00 75.11 C ATOM 293 CG ASP A 20 -14.949 -3.174 -6.261 1.00 64.02 C ATOM 294 OD1 ASP A 20 -16.057 -3.467 -6.757 1.00 21.41 O ATOM 295 OD2 ASP A 20 -14.488 -3.724 -5.239 1.00 71.23 O ATOM 0 H ASP A 20 -14.822 -4.105 -8.487 1.00 2.22 H new ATOM 0 HA ASP A 20 -13.036 -1.766 -8.758 1.00 71.31 H new ATOM 0 HB2 ASP A 20 -13.398 -1.700 -6.221 1.00 75.11 H new ATOM 0 HB3 ASP A 20 -14.769 -1.271 -7.224 1.00 75.11 H new ATOM 300 N ALA A 21 -11.086 -3.323 -8.510 1.00 25.33 N ATOM 301 CA ALA A 21 -9.858 -4.051 -8.211 1.00 13.21 C ATOM 302 C ALA A 21 -8.683 -3.497 -9.009 1.00 53.43 C ATOM 303 O ALA A 21 -8.869 -2.761 -9.979 1.00 54.22 O ATOM 304 CB ALA A 21 -10.041 -5.534 -8.497 1.00 40.15 C ATOM 0 H ALA A 21 -11.037 -2.738 -9.344 1.00 25.33 H new ATOM 0 HA ALA A 21 -9.637 -3.921 -7.152 1.00 13.21 H new ATOM 0 HB1 ALA A 21 -9.117 -6.065 -8.269 1.00 40.15 H new ATOM 0 HB2 ALA A 21 -10.847 -5.927 -7.878 1.00 40.15 H new ATOM 0 HB3 ALA A 21 -10.290 -5.674 -9.549 1.00 40.15 H new ATOM 310 N THR A 22 -7.471 -3.854 -8.595 1.00 54.32 N ATOM 311 CA THR A 22 -6.266 -3.391 -9.271 1.00 2.45 C ATOM 312 C THR A 22 -5.249 -4.517 -9.413 1.00 45.14 C ATOM 313 O THR A 22 -4.704 -5.003 -8.423 1.00 23.43 O ATOM 314 CB THR A 22 -5.613 -2.218 -8.514 1.00 54.11 C ATOM 315 OG1 THR A 22 -4.306 -1.962 -9.040 1.00 73.31 O ATOM 316 CG2 THR A 22 -5.517 -2.520 -7.026 1.00 63.54 C ATOM 0 H THR A 22 -7.298 -4.462 -7.795 1.00 54.32 H new ATOM 0 HA THR A 22 -6.569 -3.051 -10.261 1.00 2.45 H new ATOM 0 HB THR A 22 -6.237 -1.335 -8.649 1.00 54.11 H new ATOM 0 HG1 THR A 22 -3.692 -1.757 -8.304 1.00 73.31 H new ATOM 0 HG21 THR A 22 -5.053 -1.678 -6.513 1.00 63.54 H new ATOM 0 HG22 THR A 22 -6.516 -2.684 -6.623 1.00 63.54 H new ATOM 0 HG23 THR A 22 -4.913 -3.415 -6.875 1.00 63.54 H new ATOM 324 N SER A 23 -4.996 -4.927 -10.653 1.00 14.35 N ATOM 325 CA SER A 23 -4.046 -5.999 -10.925 1.00 11.44 C ATOM 326 C SER A 23 -3.937 -6.260 -12.424 1.00 31.43 C ATOM 327 O SER A 23 -4.524 -5.544 -13.234 1.00 55.05 O ATOM 328 CB SER A 23 -4.468 -7.279 -10.201 1.00 51.12 C ATOM 329 OG SER A 23 -5.140 -8.164 -11.081 1.00 14.44 O ATOM 0 H SER A 23 -5.436 -4.533 -11.484 1.00 14.35 H new ATOM 0 HA SER A 23 -3.069 -5.688 -10.556 1.00 11.44 H new ATOM 0 HB2 SER A 23 -3.589 -7.772 -9.785 1.00 51.12 H new ATOM 0 HB3 SER A 23 -5.120 -7.029 -9.364 1.00 51.12 H new ATOM 0 HG SER A 23 -5.398 -8.975 -10.595 1.00 14.44 H new ATOM 335 N ASP A 24 -3.181 -7.292 -12.784 1.00 53.31 N ATOM 336 CA ASP A 24 -2.995 -7.650 -14.185 1.00 60.33 C ATOM 337 C ASP A 24 -4.079 -8.619 -14.647 1.00 62.50 C ATOM 338 O ASP A 24 -3.786 -9.743 -15.055 1.00 34.25 O ATOM 339 CB ASP A 24 -1.614 -8.273 -14.395 1.00 43.23 C ATOM 340 CG ASP A 24 -0.503 -7.431 -13.800 1.00 4.42 C ATOM 341 OD1 ASP A 24 -0.727 -6.222 -13.582 1.00 45.45 O ATOM 342 OD2 ASP A 24 0.591 -7.980 -13.552 1.00 22.32 O ATOM 0 H ASP A 24 -2.688 -7.895 -12.125 1.00 53.31 H new ATOM 0 HA ASP A 24 -3.069 -6.740 -14.780 1.00 60.33 H new ATOM 0 HB2 ASP A 24 -1.594 -9.266 -13.945 1.00 43.23 H new ATOM 0 HB3 ASP A 24 -1.436 -8.403 -15.462 1.00 43.23 H new ATOM 347 N GLN A 25 -5.330 -8.176 -14.579 1.00 20.22 N ATOM 348 CA GLN A 25 -6.457 -9.006 -14.988 1.00 51.33 C ATOM 349 C GLN A 25 -6.611 -9.005 -16.506 1.00 1.44 C ATOM 350 O GLN A 25 -6.081 -8.143 -17.207 1.00 51.41 O ATOM 351 CB GLN A 25 -7.747 -8.510 -14.333 1.00 11.24 C ATOM 352 CG GLN A 25 -8.363 -9.511 -13.368 1.00 40.51 C ATOM 353 CD GLN A 25 -8.365 -9.015 -11.935 1.00 52.25 C ATOM 354 OE1 GLN A 25 -8.515 -7.820 -11.680 1.00 54.42 O ATOM 355 NE2 GLN A 25 -8.198 -9.933 -10.991 1.00 35.02 N ATOM 0 H GLN A 25 -5.589 -7.248 -14.245 1.00 20.22 H new ATOM 0 HA GLN A 25 -6.261 -10.027 -14.661 1.00 51.33 H new ATOM 0 HB2 GLN A 25 -7.540 -7.583 -13.799 1.00 11.24 H new ATOM 0 HB3 GLN A 25 -8.473 -8.274 -15.111 1.00 11.24 H new ATOM 0 HG2 GLN A 25 -9.387 -9.724 -13.676 1.00 40.51 H new ATOM 0 HG3 GLN A 25 -7.811 -10.450 -13.423 1.00 40.51 H new ATOM 0 HE21 GLN A 25 -8.077 -10.913 -11.248 1.00 35.02 H new ATOM 0 HE22 GLN A 25 -8.190 -9.659 -10.009 1.00 35.02 H new ATOM 364 N PRO A 26 -7.353 -9.993 -17.026 1.00 71.14 N ATOM 365 CA PRO A 26 -7.594 -10.128 -18.466 1.00 40.11 C ATOM 366 C PRO A 26 -8.705 -9.206 -18.957 1.00 1.22 C ATOM 367 O PRO A 26 -9.099 -9.258 -20.121 1.00 12.20 O ATOM 368 CB PRO A 26 -8.008 -11.593 -18.621 1.00 31.43 C ATOM 369 CG PRO A 26 -8.593 -11.963 -17.301 1.00 52.14 C ATOM 370 CD PRO A 26 -8.015 -11.055 -16.250 1.00 3.13 C ATOM 0 HA PRO A 26 -6.717 -9.854 -19.053 1.00 40.11 H new ATOM 0 HB2 PRO A 26 -8.734 -11.716 -19.424 1.00 31.43 H new ATOM 0 HB3 PRO A 26 -7.152 -12.223 -18.865 1.00 31.43 H new ATOM 0 HG2 PRO A 26 -9.679 -11.868 -17.328 1.00 52.14 H new ATOM 0 HG3 PRO A 26 -8.370 -13.004 -17.066 1.00 52.14 H new ATOM 0 HD2 PRO A 26 -8.791 -10.651 -15.600 1.00 3.13 H new ATOM 0 HD3 PRO A 26 -7.308 -11.583 -15.611 1.00 3.13 H new ATOM 378 N GLY A 27 -9.206 -8.361 -18.061 1.00 1.05 N ATOM 379 CA GLY A 27 -10.267 -7.439 -18.422 1.00 43.11 C ATOM 380 C GLY A 27 -11.642 -7.973 -18.075 1.00 52.12 C ATOM 381 O GLY A 27 -11.769 -9.051 -17.496 1.00 61.20 O ATOM 0 H GLY A 27 -8.896 -8.299 -17.091 1.00 1.05 H new ATOM 0 HA2 GLY A 27 -10.109 -6.490 -17.910 1.00 43.11 H new ATOM 0 HA3 GLY A 27 -10.219 -7.236 -19.492 1.00 43.11 H new ATOM 385 N ALA A 28 -12.676 -7.216 -18.429 1.00 4.43 N ATOM 386 CA ALA A 28 -14.049 -7.619 -18.151 1.00 64.14 C ATOM 387 C ALA A 28 -14.993 -7.145 -19.251 1.00 2.43 C ATOM 388 O ALA A 28 -15.041 -5.958 -19.572 1.00 12.14 O ATOM 389 CB ALA A 28 -14.495 -7.080 -16.801 1.00 3.55 C ATOM 0 H ALA A 28 -12.588 -6.320 -18.909 1.00 4.43 H new ATOM 0 HA ALA A 28 -14.083 -8.708 -18.123 1.00 64.14 H new ATOM 0 HB1 ALA A 28 -15.522 -7.389 -16.607 1.00 3.55 H new ATOM 0 HB2 ALA A 28 -13.844 -7.473 -16.020 1.00 3.55 H new ATOM 0 HB3 ALA A 28 -14.439 -5.991 -16.807 1.00 3.55 H new ATOM 395 N GLY A 29 -15.742 -8.080 -19.826 1.00 33.53 N ATOM 396 CA GLY A 29 -16.675 -7.738 -20.884 1.00 5.22 C ATOM 397 C GLY A 29 -17.750 -8.790 -21.072 1.00 44.44 C ATOM 398 O GLY A 29 -17.498 -9.847 -21.650 1.00 32.41 O ATOM 0 H GLY A 29 -15.720 -9.069 -19.578 1.00 33.53 H new ATOM 0 HA2 GLY A 29 -17.144 -6.781 -20.655 1.00 5.22 H new ATOM 0 HA3 GLY A 29 -16.129 -7.610 -21.819 1.00 5.22 H new ATOM 402 N ASP A 30 -18.950 -8.500 -20.583 1.00 73.11 N ATOM 403 CA ASP A 30 -20.068 -9.430 -20.700 1.00 41.41 C ATOM 404 C ASP A 30 -21.394 -8.720 -20.445 1.00 40.35 C ATOM 405 O ASP A 30 -21.803 -8.540 -19.299 1.00 61.12 O ATOM 406 CB ASP A 30 -19.899 -10.590 -19.718 1.00 13.55 C ATOM 407 CG ASP A 30 -21.019 -11.606 -19.824 1.00 15.44 C ATOM 408 OD1 ASP A 30 -20.897 -12.540 -20.643 1.00 41.31 O ATOM 409 OD2 ASP A 30 -22.019 -11.466 -19.088 1.00 31.22 O ATOM 0 H ASP A 30 -19.174 -7.629 -20.102 1.00 73.11 H new ATOM 0 HA ASP A 30 -20.077 -9.823 -21.716 1.00 41.41 H new ATOM 0 HB2 ASP A 30 -18.945 -11.084 -19.904 1.00 13.55 H new ATOM 0 HB3 ASP A 30 -19.862 -10.199 -18.701 1.00 13.55 H new ATOM 414 N ASN A 31 -22.060 -8.317 -21.523 1.00 33.33 N ATOM 415 CA ASN A 31 -23.340 -7.625 -21.416 1.00 24.21 C ATOM 416 C ASN A 31 -24.102 -7.685 -22.736 1.00 13.12 C ATOM 417 O ASN A 31 -23.523 -7.957 -23.789 1.00 12.45 O ATOM 418 CB ASN A 31 -23.122 -6.167 -21.005 1.00 63.44 C ATOM 419 CG ASN A 31 -23.797 -5.830 -19.690 1.00 55.14 C ATOM 420 OD1 ASN A 31 -24.892 -5.266 -19.669 1.00 4.12 O ATOM 421 ND2 ASN A 31 -23.147 -6.174 -18.585 1.00 65.34 N ATOM 0 H ASN A 31 -21.735 -8.458 -22.480 1.00 33.33 H new ATOM 0 HA ASN A 31 -23.934 -8.126 -20.651 1.00 24.21 H new ATOM 0 HB2 ASN A 31 -22.053 -5.972 -20.922 1.00 63.44 H new ATOM 0 HB3 ASN A 31 -23.506 -5.511 -21.786 1.00 63.44 H new ATOM 0 HD21 ASN A 31 -23.553 -5.973 -17.671 1.00 65.34 H new ATOM 0 HD22 ASN A 31 -22.242 -6.640 -18.650 1.00 65.34 H new ATOM 428 N LEU A 32 -25.404 -7.429 -22.672 1.00 53.24 N ATOM 429 CA LEU A 32 -26.248 -7.452 -23.863 1.00 24.54 C ATOM 430 C LEU A 32 -26.348 -6.064 -24.486 1.00 75.11 C ATOM 431 O LEU A 32 -26.948 -5.157 -23.911 1.00 51.11 O ATOM 432 CB LEU A 32 -27.644 -7.969 -23.512 1.00 60.31 C ATOM 433 CG LEU A 32 -28.275 -7.392 -22.244 1.00 42.15 C ATOM 434 CD1 LEU A 32 -29.760 -7.143 -22.453 1.00 54.34 C ATOM 435 CD2 LEU A 32 -28.050 -8.325 -21.064 1.00 25.31 C ATOM 0 H LEU A 32 -25.899 -7.203 -21.809 1.00 53.24 H new ATOM 0 HA LEU A 32 -25.791 -8.123 -24.590 1.00 24.54 H new ATOM 0 HB2 LEU A 32 -28.308 -7.761 -24.351 1.00 60.31 H new ATOM 0 HB3 LEU A 32 -27.592 -9.053 -23.407 1.00 60.31 H new ATOM 0 HG LEU A 32 -27.795 -6.438 -22.024 1.00 42.15 H new ATOM 0 HD11 LEU A 32 -30.192 -6.733 -21.540 1.00 54.34 H new ATOM 0 HD12 LEU A 32 -29.899 -6.435 -23.270 1.00 54.34 H new ATOM 0 HD13 LEU A 32 -30.255 -8.082 -22.698 1.00 54.34 H new ATOM 0 HD21 LEU A 32 -28.506 -7.898 -20.171 1.00 25.31 H new ATOM 0 HD22 LEU A 32 -28.503 -9.294 -21.275 1.00 25.31 H new ATOM 0 HD23 LEU A 32 -26.980 -8.453 -20.900 1.00 25.31 H new ATOM 447 N ASN A 33 -25.759 -5.907 -25.667 1.00 72.20 N ATOM 448 CA ASN A 33 -25.784 -4.630 -26.370 1.00 12.51 C ATOM 449 C ASN A 33 -24.986 -3.575 -25.610 1.00 11.34 C ATOM 450 O ASN A 33 -25.095 -3.459 -24.389 1.00 35.32 O ATOM 451 CB ASN A 33 -27.227 -4.156 -26.559 1.00 3.12 C ATOM 452 CG ASN A 33 -27.572 -3.922 -28.017 1.00 33.12 C ATOM 453 OD1 ASN A 33 -27.434 -2.811 -28.529 1.00 14.15 O ATOM 454 ND2 ASN A 33 -28.024 -4.972 -28.693 1.00 54.31 N ATOM 0 H ASN A 33 -25.259 -6.648 -26.157 1.00 72.20 H new ATOM 0 HA ASN A 33 -25.325 -4.773 -27.348 1.00 12.51 H new ATOM 0 HB2 ASN A 33 -27.908 -4.898 -26.142 1.00 3.12 H new ATOM 0 HB3 ASN A 33 -27.380 -3.233 -26.000 1.00 3.12 H new ATOM 0 HD21 ASN A 33 -28.273 -4.876 -29.678 1.00 54.31 H new ATOM 0 HD22 ASN A 33 -28.122 -5.874 -28.228 1.00 54.31 H new ATOM 461 N ASP A 34 -24.184 -2.807 -26.340 1.00 35.32 N ATOM 462 CA ASP A 34 -23.369 -1.760 -25.735 1.00 60.43 C ATOM 463 C ASP A 34 -24.235 -0.586 -25.291 1.00 2.32 C ATOM 464 O ASP A 34 -24.263 0.460 -25.941 1.00 33.34 O ATOM 465 CB ASP A 34 -22.304 -1.280 -26.722 1.00 62.23 C ATOM 466 CG ASP A 34 -21.075 -2.168 -26.725 1.00 71.24 C ATOM 467 OD1 ASP A 34 -20.669 -2.624 -25.636 1.00 0.34 O ATOM 468 OD2 ASP A 34 -20.520 -2.408 -27.818 1.00 30.42 O ATOM 0 H ASP A 34 -24.081 -2.890 -27.351 1.00 35.32 H new ATOM 0 HA ASP A 34 -22.877 -2.178 -24.856 1.00 60.43 H new ATOM 0 HB2 ASP A 34 -22.730 -1.250 -27.725 1.00 62.23 H new ATOM 0 HB3 ASP A 34 -22.012 -0.261 -26.469 1.00 62.23 H new ATOM 473 N LYS A 35 -24.941 -0.765 -24.180 1.00 10.03 N ATOM 474 CA LYS A 35 -25.808 0.279 -23.647 1.00 13.11 C ATOM 475 C LYS A 35 -25.030 1.217 -22.730 1.00 51.41 C ATOM 476 O LYS A 35 -23.803 1.146 -22.650 1.00 74.13 O ATOM 477 CB LYS A 35 -26.979 -0.343 -22.883 1.00 12.24 C ATOM 478 CG LYS A 35 -27.797 -1.318 -23.711 1.00 72.14 C ATOM 479 CD LYS A 35 -28.286 -0.681 -25.001 1.00 44.33 C ATOM 480 CE LYS A 35 -29.186 0.514 -24.727 1.00 4.34 C ATOM 481 NZ LYS A 35 -30.346 0.149 -23.868 1.00 20.12 N ATOM 0 H LYS A 35 -24.930 -1.624 -23.631 1.00 10.03 H new ATOM 0 HA LYS A 35 -26.195 0.858 -24.485 1.00 13.11 H new ATOM 0 HB2 LYS A 35 -26.594 -0.860 -22.004 1.00 12.24 H new ATOM 0 HB3 LYS A 35 -27.632 0.453 -22.525 1.00 12.24 H new ATOM 0 HG2 LYS A 35 -27.193 -2.195 -23.943 1.00 72.14 H new ATOM 0 HG3 LYS A 35 -28.651 -1.664 -23.129 1.00 72.14 H new ATOM 0 HD2 LYS A 35 -27.431 -0.364 -25.598 1.00 44.33 H new ATOM 0 HD3 LYS A 35 -28.830 -1.420 -25.589 1.00 44.33 H new ATOM 0 HE2 LYS A 35 -28.608 1.300 -24.242 1.00 4.34 H new ATOM 0 HE3 LYS A 35 -29.547 0.921 -25.672 1.00 4.34 H new ATOM 0 HZ1 LYS A 35 -31.037 0.926 -23.870 1.00 20.12 H new ATOM 0 HZ2 LYS A 35 -30.794 -0.714 -24.238 1.00 20.12 H new ATOM 0 HZ3 LYS A 35 -30.018 -0.020 -22.896 1.00 20.12 H new ATOM 495 N ILE A 36 -25.751 2.095 -22.040 1.00 24.34 N ATOM 496 CA ILE A 36 -25.127 3.045 -21.127 1.00 30.32 C ATOM 497 C ILE A 36 -24.169 2.341 -20.171 1.00 41.35 C ATOM 498 O ILE A 36 -24.512 1.325 -19.568 1.00 75.11 O ATOM 499 CB ILE A 36 -26.181 3.812 -20.307 1.00 22.05 C ATOM 500 CG1 ILE A 36 -25.498 4.752 -19.311 1.00 53.41 C ATOM 501 CG2 ILE A 36 -27.098 2.839 -19.581 1.00 13.31 C ATOM 502 CD1 ILE A 36 -26.365 5.918 -18.889 1.00 35.45 C ATOM 0 H ILE A 36 -26.767 2.168 -22.096 1.00 24.34 H new ATOM 0 HA ILE A 36 -24.569 3.753 -21.740 1.00 30.32 H new ATOM 0 HB ILE A 36 -26.785 4.411 -20.988 1.00 22.05 H new ATOM 0 HG12 ILE A 36 -25.211 4.184 -18.426 1.00 53.41 H new ATOM 0 HG13 ILE A 36 -24.580 5.135 -19.756 1.00 53.41 H new ATOM 0 HG21 ILE A 36 -27.837 3.396 -19.006 1.00 13.31 H new ATOM 0 HG22 ILE A 36 -27.606 2.206 -20.309 1.00 13.31 H new ATOM 0 HG23 ILE A 36 -26.508 2.217 -18.908 1.00 13.31 H new ATOM 0 HD11 ILE A 36 -25.817 6.542 -18.183 1.00 35.45 H new ATOM 0 HD12 ILE A 36 -26.631 6.509 -19.765 1.00 35.45 H new ATOM 0 HD13 ILE A 36 -27.272 5.544 -18.414 1.00 35.45 H new ATOM 514 N SER A 37 -22.966 2.891 -20.038 1.00 21.53 N ATOM 515 CA SER A 37 -21.956 2.315 -19.157 1.00 34.22 C ATOM 516 C SER A 37 -21.326 3.390 -18.277 1.00 42.34 C ATOM 517 O SER A 37 -21.396 4.580 -18.586 1.00 22.10 O ATOM 518 CB SER A 37 -20.874 1.612 -19.978 1.00 23.11 C ATOM 519 OG SER A 37 -20.569 0.339 -19.436 1.00 24.33 O ATOM 0 H SER A 37 -22.667 3.734 -20.528 1.00 21.53 H new ATOM 0 HA SER A 37 -22.445 1.584 -18.513 1.00 34.22 H new ATOM 0 HB2 SER A 37 -21.210 1.501 -21.009 1.00 23.11 H new ATOM 0 HB3 SER A 37 -19.974 2.226 -20.001 1.00 23.11 H new ATOM 0 HG SER A 37 -20.143 0.450 -18.560 1.00 24.33 H new ATOM 525 N SER A 38 -20.710 2.962 -17.180 1.00 0.30 N ATOM 526 CA SER A 38 -20.070 3.888 -16.253 1.00 23.35 C ATOM 527 C SER A 38 -18.597 3.536 -16.064 1.00 51.12 C ATOM 528 O SER A 38 -18.264 2.519 -15.455 1.00 64.05 O ATOM 529 CB SER A 38 -20.787 3.867 -14.902 1.00 14.14 C ATOM 530 OG SER A 38 -19.863 3.959 -13.832 1.00 21.55 O ATOM 0 H SER A 38 -20.640 1.980 -16.911 1.00 0.30 H new ATOM 0 HA SER A 38 -20.136 4.890 -16.676 1.00 23.35 H new ATOM 0 HB2 SER A 38 -21.493 4.696 -14.849 1.00 14.14 H new ATOM 0 HB3 SER A 38 -21.366 2.948 -14.808 1.00 14.14 H new ATOM 0 HG SER A 38 -19.734 3.073 -13.434 1.00 21.55 H new ATOM 536 N ILE A 39 -17.721 4.385 -16.591 1.00 62.41 N ATOM 537 CA ILE A 39 -16.284 4.165 -16.481 1.00 31.14 C ATOM 538 C ILE A 39 -15.600 5.339 -15.788 1.00 32.43 C ATOM 539 O ILE A 39 -15.488 6.427 -16.351 1.00 51.54 O ATOM 540 CB ILE A 39 -15.639 3.953 -17.863 1.00 31.31 C ATOM 541 CG1 ILE A 39 -15.775 2.491 -18.294 1.00 41.03 C ATOM 542 CG2 ILE A 39 -14.176 4.368 -17.834 1.00 41.41 C ATOM 543 CD1 ILE A 39 -17.208 2.014 -18.371 1.00 54.43 C ATOM 0 H ILE A 39 -17.981 5.231 -17.098 1.00 62.41 H new ATOM 0 HA ILE A 39 -16.148 3.263 -15.884 1.00 31.14 H new ATOM 0 HB ILE A 39 -16.159 4.577 -18.590 1.00 31.31 H new ATOM 0 HG12 ILE A 39 -15.305 2.363 -19.269 1.00 41.03 H new ATOM 0 HG13 ILE A 39 -15.228 1.861 -17.592 1.00 41.03 H new ATOM 0 HG21 ILE A 39 -13.734 4.212 -18.818 1.00 41.41 H new ATOM 0 HG22 ILE A 39 -14.102 5.422 -17.566 1.00 41.41 H new ATOM 0 HG23 ILE A 39 -13.642 3.768 -17.097 1.00 41.41 H new ATOM 0 HD11 ILE A 39 -17.228 0.970 -18.682 1.00 54.43 H new ATOM 0 HD12 ILE A 39 -17.676 2.109 -17.391 1.00 54.43 H new ATOM 0 HD13 ILE A 39 -17.754 2.619 -19.095 1.00 54.43 H new ATOM 555 N LYS A 40 -15.142 5.109 -14.562 1.00 12.54 N ATOM 556 CA LYS A 40 -14.466 6.146 -13.791 1.00 24.10 C ATOM 557 C LYS A 40 -13.191 5.604 -13.152 1.00 42.11 C ATOM 558 O LYS A 40 -13.238 4.929 -12.124 1.00 74.40 O ATOM 559 CB LYS A 40 -15.397 6.696 -12.708 1.00 73.45 C ATOM 560 CG LYS A 40 -14.774 7.800 -11.873 1.00 22.14 C ATOM 561 CD LYS A 40 -14.756 7.440 -10.397 1.00 34.35 C ATOM 562 CE LYS A 40 -13.488 7.934 -9.717 1.00 72.42 C ATOM 563 NZ LYS A 40 -12.361 6.975 -9.884 1.00 4.25 N ATOM 0 H LYS A 40 -15.227 4.214 -14.081 1.00 12.54 H new ATOM 0 HA LYS A 40 -14.197 6.952 -14.473 1.00 24.10 H new ATOM 0 HB2 LYS A 40 -16.304 7.076 -13.179 1.00 73.45 H new ATOM 0 HB3 LYS A 40 -15.697 5.880 -12.050 1.00 73.45 H new ATOM 0 HG2 LYS A 40 -13.756 7.986 -12.215 1.00 22.14 H new ATOM 0 HG3 LYS A 40 -15.333 8.725 -12.016 1.00 22.14 H new ATOM 0 HD2 LYS A 40 -15.626 7.874 -9.905 1.00 34.35 H new ATOM 0 HD3 LYS A 40 -14.833 6.359 -10.284 1.00 34.35 H new ATOM 0 HE2 LYS A 40 -13.206 8.902 -10.132 1.00 72.42 H new ATOM 0 HE3 LYS A 40 -13.681 8.087 -8.655 1.00 72.42 H new ATOM 0 HZ1 LYS A 40 -12.193 6.477 -8.986 1.00 4.25 H new ATOM 0 HZ2 LYS A 40 -12.600 6.284 -10.624 1.00 4.25 H new ATOM 0 HZ3 LYS A 40 -11.502 7.493 -10.159 1.00 4.25 H new ATOM 577 N VAL A 41 -12.052 5.906 -13.767 1.00 64.11 N ATOM 578 CA VAL A 41 -10.764 5.451 -13.257 1.00 3.32 C ATOM 579 C VAL A 41 -9.664 6.461 -13.564 1.00 5.12 C ATOM 580 O VAL A 41 -9.737 7.196 -14.549 1.00 64.42 O ATOM 581 CB VAL A 41 -10.374 4.086 -13.854 1.00 4.21 C ATOM 582 CG1 VAL A 41 -9.100 3.564 -13.206 1.00 52.12 C ATOM 583 CG2 VAL A 41 -11.511 3.089 -13.692 1.00 13.52 C ATOM 0 H VAL A 41 -11.995 6.464 -14.619 1.00 64.11 H new ATOM 0 HA VAL A 41 -10.869 5.350 -12.177 1.00 3.32 H new ATOM 0 HB VAL A 41 -10.185 4.216 -14.920 1.00 4.21 H new ATOM 0 HG11 VAL A 41 -8.840 2.599 -13.640 1.00 52.12 H new ATOM 0 HG12 VAL A 41 -8.288 4.270 -13.379 1.00 52.12 H new ATOM 0 HG13 VAL A 41 -9.258 3.448 -12.134 1.00 52.12 H new ATOM 0 HG21 VAL A 41 -11.218 2.130 -14.119 1.00 13.52 H new ATOM 0 HG22 VAL A 41 -11.735 2.961 -12.633 1.00 13.52 H new ATOM 0 HG23 VAL A 41 -12.397 3.460 -14.207 1.00 13.52 H new ATOM 593 N LYS A 42 -8.643 6.492 -12.714 1.00 0.54 N ATOM 594 CA LYS A 42 -7.525 7.411 -12.893 1.00 63.34 C ATOM 595 C LYS A 42 -6.195 6.703 -12.652 1.00 72.35 C ATOM 596 O LYS A 42 -5.671 6.708 -11.539 1.00 12.33 O ATOM 597 CB LYS A 42 -7.659 8.603 -11.943 1.00 72.05 C ATOM 598 CG LYS A 42 -9.055 9.202 -11.913 1.00 22.55 C ATOM 599 CD LYS A 42 -9.010 10.719 -11.861 1.00 4.53 C ATOM 600 CE LYS A 42 -8.862 11.320 -13.250 1.00 53.51 C ATOM 601 NZ LYS A 42 -9.957 12.282 -13.558 1.00 33.34 N ATOM 0 H LYS A 42 -8.567 5.891 -11.894 1.00 0.54 H new ATOM 0 HA LYS A 42 -7.545 7.771 -13.922 1.00 63.34 H new ATOM 0 HB2 LYS A 42 -7.386 8.287 -10.936 1.00 72.05 H new ATOM 0 HB3 LYS A 42 -6.948 9.374 -12.238 1.00 72.05 H new ATOM 0 HG2 LYS A 42 -9.607 8.884 -12.797 1.00 22.55 H new ATOM 0 HG3 LYS A 42 -9.596 8.823 -11.046 1.00 22.55 H new ATOM 0 HD2 LYS A 42 -9.921 11.095 -11.396 1.00 4.53 H new ATOM 0 HD3 LYS A 42 -8.177 11.038 -11.235 1.00 4.53 H new ATOM 0 HE2 LYS A 42 -7.901 11.828 -13.325 1.00 53.51 H new ATOM 0 HE3 LYS A 42 -8.860 10.522 -13.993 1.00 53.51 H new ATOM 0 HZ1 LYS A 42 -9.820 12.670 -14.513 1.00 33.34 H new ATOM 0 HZ2 LYS A 42 -10.873 11.792 -13.511 1.00 33.34 H new ATOM 0 HZ3 LYS A 42 -9.943 13.057 -12.865 1.00 33.34 H new ATOM 615 N SER A 43 -5.654 6.095 -13.704 1.00 13.32 N ATOM 616 CA SER A 43 -4.387 5.381 -13.605 1.00 42.14 C ATOM 617 C SER A 43 -3.837 5.058 -14.991 1.00 65.31 C ATOM 618 O SER A 43 -4.244 4.083 -15.621 1.00 52.04 O ATOM 619 CB SER A 43 -4.565 4.092 -12.801 1.00 62.23 C ATOM 620 OG SER A 43 -5.636 3.317 -13.311 1.00 33.24 O ATOM 0 H SER A 43 -6.074 6.083 -14.634 1.00 13.32 H new ATOM 0 HA SER A 43 -3.674 6.025 -13.091 1.00 42.14 H new ATOM 0 HB2 SER A 43 -3.644 3.510 -12.832 1.00 62.23 H new ATOM 0 HB3 SER A 43 -4.753 4.335 -11.755 1.00 62.23 H new ATOM 0 HG SER A 43 -5.568 3.267 -14.287 1.00 33.24 H new ATOM 626 N GLY A 44 -2.906 5.885 -15.460 1.00 34.55 N ATOM 627 CA GLY A 44 -2.315 5.671 -16.767 1.00 64.13 C ATOM 628 C GLY A 44 -3.351 5.623 -17.872 1.00 74.00 C ATOM 629 O GLY A 44 -4.354 6.337 -17.825 1.00 70.32 O ATOM 0 H GLY A 44 -2.552 6.699 -14.957 1.00 34.55 H new ATOM 0 HA2 GLY A 44 -1.603 6.470 -16.975 1.00 64.13 H new ATOM 0 HA3 GLY A 44 -1.753 4.737 -16.759 1.00 64.13 H new ATOM 633 N THR A 45 -3.111 4.780 -18.872 1.00 5.24 N ATOM 634 CA THR A 45 -4.029 4.644 -19.995 1.00 33.24 C ATOM 635 C THR A 45 -4.577 3.224 -20.088 1.00 2.20 C ATOM 636 O THR A 45 -3.900 2.263 -19.724 1.00 24.20 O ATOM 637 CB THR A 45 -3.346 5.007 -21.327 1.00 13.14 C ATOM 638 OG1 THR A 45 -2.213 4.159 -21.543 1.00 72.24 O ATOM 639 CG2 THR A 45 -2.904 6.463 -21.329 1.00 32.32 C ATOM 0 H THR A 45 -2.287 4.181 -18.926 1.00 5.24 H new ATOM 0 HA THR A 45 -4.851 5.337 -19.817 1.00 33.24 H new ATOM 0 HB THR A 45 -4.067 4.862 -22.132 1.00 13.14 H new ATOM 0 HG1 THR A 45 -1.785 4.395 -22.393 1.00 72.24 H new ATOM 0 HG21 THR A 45 -2.424 6.696 -22.280 1.00 32.32 H new ATOM 0 HG22 THR A 45 -3.773 7.107 -21.193 1.00 32.32 H new ATOM 0 HG23 THR A 45 -2.198 6.630 -20.516 1.00 32.32 H new ATOM 647 N TRP A 46 -5.805 3.100 -20.578 1.00 2.00 N ATOM 648 CA TRP A 46 -6.443 1.796 -20.720 1.00 3.04 C ATOM 649 C TRP A 46 -7.076 1.647 -22.098 1.00 73.14 C ATOM 650 O TRP A 46 -7.548 2.622 -22.683 1.00 60.15 O ATOM 651 CB TRP A 46 -7.503 1.603 -19.634 1.00 41.40 C ATOM 652 CG TRP A 46 -7.415 2.615 -18.532 1.00 11.32 C ATOM 653 CD1 TRP A 46 -6.388 2.775 -17.646 1.00 11.21 C ATOM 654 CD2 TRP A 46 -8.394 3.606 -18.198 1.00 24.42 C ATOM 655 NE1 TRP A 46 -6.669 3.805 -16.781 1.00 54.32 N ATOM 656 CE2 TRP A 46 -7.893 4.332 -17.099 1.00 73.32 C ATOM 657 CE3 TRP A 46 -9.643 3.951 -18.721 1.00 4.12 C ATOM 658 CZ2 TRP A 46 -8.600 5.380 -16.516 1.00 71.01 C ATOM 659 CZ3 TRP A 46 -10.343 4.992 -18.141 1.00 21.53 C ATOM 660 CH2 TRP A 46 -9.820 5.697 -17.048 1.00 73.44 C ATOM 0 H TRP A 46 -6.379 3.886 -20.884 1.00 2.00 H new ATOM 0 HA TRP A 46 -5.676 1.030 -20.609 1.00 3.04 H new ATOM 0 HB2 TRP A 46 -8.492 1.656 -20.088 1.00 41.40 H new ATOM 0 HB3 TRP A 46 -7.400 0.604 -19.210 1.00 41.40 H new ATOM 0 HD1 TRP A 46 -5.487 2.179 -17.628 1.00 11.21 H new ATOM 0 HE1 TRP A 46 -6.064 4.125 -16.025 1.00 54.32 H new ATOM 0 HE3 TRP A 46 -10.054 3.414 -19.563 1.00 4.12 H new ATOM 0 HZ2 TRP A 46 -8.199 5.924 -15.673 1.00 71.01 H new ATOM 0 HZ3 TRP A 46 -11.310 5.267 -18.537 1.00 21.53 H new ATOM 0 HH2 TRP A 46 -10.391 6.506 -16.617 1.00 73.44 H new ATOM 671 N ARG A 47 -7.084 0.421 -22.612 1.00 1.11 N ATOM 672 CA ARG A 47 -7.659 0.146 -23.923 1.00 31.41 C ATOM 673 C ARG A 47 -9.041 -0.488 -23.788 1.00 43.12 C ATOM 674 O ARG A 47 -9.249 -1.378 -22.963 1.00 54.23 O ATOM 675 CB ARG A 47 -6.739 -0.778 -24.723 1.00 42.45 C ATOM 676 CG ARG A 47 -5.417 -0.134 -25.110 1.00 20.33 C ATOM 677 CD ARG A 47 -4.267 -0.681 -24.278 1.00 14.44 C ATOM 678 NE ARG A 47 -2.998 -0.040 -24.611 1.00 21.12 N ATOM 679 CZ ARG A 47 -1.812 -0.572 -24.337 1.00 70.40 C ATOM 680 NH1 ARG A 47 -1.734 -1.748 -23.729 1.00 62.24 N ATOM 681 NH2 ARG A 47 -0.701 0.072 -24.672 1.00 32.52 N ATOM 0 H ARG A 47 -6.699 -0.397 -22.140 1.00 1.11 H new ATOM 0 HA ARG A 47 -7.762 1.093 -24.453 1.00 31.41 H new ATOM 0 HB2 ARG A 47 -6.539 -1.675 -24.136 1.00 42.45 H new ATOM 0 HB3 ARG A 47 -7.256 -1.098 -25.627 1.00 42.45 H new ATOM 0 HG2 ARG A 47 -5.220 -0.312 -26.167 1.00 20.33 H new ATOM 0 HG3 ARG A 47 -5.484 0.946 -24.976 1.00 20.33 H new ATOM 0 HD2 ARG A 47 -4.482 -0.532 -23.220 1.00 14.44 H new ATOM 0 HD3 ARG A 47 -4.183 -1.756 -24.438 1.00 14.44 H new ATOM 0 HE ARG A 47 -3.024 0.866 -25.080 1.00 21.12 H new ATOM 0 HH11 ARG A 47 -2.586 -2.246 -23.471 1.00 62.24 H new ATOM 0 HH12 ARG A 47 -0.822 -2.154 -23.520 1.00 62.24 H new ATOM 0 HH21 ARG A 47 -0.757 0.976 -25.140 1.00 32.52 H new ATOM 0 HH22 ARG A 47 0.209 -0.337 -24.461 1.00 32.52 H new ATOM 695 N PHE A 48 -9.981 -0.023 -24.604 1.00 13.13 N ATOM 696 CA PHE A 48 -11.343 -0.543 -24.575 1.00 15.42 C ATOM 697 C PHE A 48 -11.780 -1.003 -25.963 1.00 3.33 C ATOM 698 O PHE A 48 -11.604 -0.288 -26.949 1.00 42.55 O ATOM 699 CB PHE A 48 -12.308 0.524 -24.052 1.00 41.12 C ATOM 700 CG PHE A 48 -12.615 0.389 -22.588 1.00 45.50 C ATOM 701 CD1 PHE A 48 -13.573 -0.508 -22.147 1.00 75.33 C ATOM 702 CD2 PHE A 48 -11.944 1.160 -21.652 1.00 45.24 C ATOM 703 CE1 PHE A 48 -13.858 -0.634 -20.801 1.00 10.54 C ATOM 704 CE2 PHE A 48 -12.224 1.039 -20.304 1.00 45.13 C ATOM 705 CZ PHE A 48 -13.181 0.140 -19.878 1.00 14.21 C ATOM 0 H PHE A 48 -9.825 0.713 -25.293 1.00 13.13 H new ATOM 0 HA PHE A 48 -11.363 -1.402 -23.904 1.00 15.42 H new ATOM 0 HB2 PHE A 48 -11.881 1.510 -24.236 1.00 41.12 H new ATOM 0 HB3 PHE A 48 -13.239 0.469 -24.617 1.00 41.12 H new ATOM 0 HD1 PHE A 48 -14.104 -1.117 -22.864 1.00 75.33 H new ATOM 0 HD2 PHE A 48 -11.193 1.864 -21.980 1.00 45.24 H new ATOM 0 HE1 PHE A 48 -14.609 -1.336 -20.471 1.00 10.54 H new ATOM 0 HE2 PHE A 48 -11.695 1.647 -19.585 1.00 45.13 H new ATOM 0 HZ PHE A 48 -13.400 0.042 -18.825 1.00 14.21 H new ATOM 715 N TYR A 49 -12.349 -2.201 -26.030 1.00 65.13 N ATOM 716 CA TYR A 49 -12.807 -2.759 -27.297 1.00 14.02 C ATOM 717 C TYR A 49 -13.855 -3.844 -27.067 1.00 21.04 C ATOM 718 O TYR A 49 -13.664 -4.742 -26.247 1.00 65.15 O ATOM 719 CB TYR A 49 -11.627 -3.332 -28.083 1.00 32.50 C ATOM 720 CG TYR A 49 -10.631 -4.076 -27.223 1.00 23.13 C ATOM 721 CD1 TYR A 49 -10.815 -5.418 -26.915 1.00 20.54 C ATOM 722 CD2 TYR A 49 -9.506 -3.437 -26.717 1.00 43.51 C ATOM 723 CE1 TYR A 49 -9.908 -6.102 -26.128 1.00 44.04 C ATOM 724 CE2 TYR A 49 -8.592 -4.112 -25.931 1.00 74.44 C ATOM 725 CZ TYR A 49 -8.798 -5.445 -25.640 1.00 2.33 C ATOM 726 OH TYR A 49 -7.891 -6.121 -24.856 1.00 70.11 O ATOM 0 H TYR A 49 -12.504 -2.804 -25.222 1.00 65.13 H new ATOM 0 HA TYR A 49 -13.263 -1.955 -27.875 1.00 14.02 H new ATOM 0 HB2 TYR A 49 -12.006 -4.006 -28.851 1.00 32.50 H new ATOM 0 HB3 TYR A 49 -11.115 -2.519 -28.597 1.00 32.50 H new ATOM 0 HD1 TYR A 49 -11.682 -5.936 -27.297 1.00 20.54 H new ATOM 0 HD2 TYR A 49 -9.343 -2.393 -26.942 1.00 43.51 H new ATOM 0 HE1 TYR A 49 -10.068 -7.145 -25.897 1.00 44.04 H new ATOM 0 HE2 TYR A 49 -7.722 -3.600 -25.547 1.00 74.44 H new ATOM 0 HH TYR A 49 -7.167 -5.514 -24.596 1.00 70.11 H new ATOM 736 N GLU A 50 -14.962 -3.753 -27.797 1.00 12.15 N ATOM 737 CA GLU A 50 -16.041 -4.726 -27.672 1.00 64.50 C ATOM 738 C GLU A 50 -15.933 -5.799 -28.752 1.00 64.10 C ATOM 739 O GLU A 50 -16.767 -5.873 -29.655 1.00 2.14 O ATOM 740 CB GLU A 50 -17.400 -4.030 -27.764 1.00 42.30 C ATOM 741 CG GLU A 50 -17.962 -3.611 -26.416 1.00 22.43 C ATOM 742 CD GLU A 50 -17.981 -2.106 -26.233 1.00 63.12 C ATOM 743 OE1 GLU A 50 -18.208 -1.390 -27.230 1.00 52.23 O ATOM 744 OE2 GLU A 50 -17.768 -1.645 -25.092 1.00 51.12 O ATOM 0 H GLU A 50 -15.135 -3.016 -28.481 1.00 12.15 H new ATOM 0 HA GLU A 50 -15.952 -5.205 -26.697 1.00 64.50 H new ATOM 0 HB2 GLU A 50 -17.305 -3.149 -28.398 1.00 42.30 H new ATOM 0 HB3 GLU A 50 -18.109 -4.699 -28.252 1.00 42.30 H new ATOM 0 HG2 GLU A 50 -18.976 -3.998 -26.313 1.00 22.43 H new ATOM 0 HG3 GLU A 50 -17.366 -4.062 -25.622 1.00 22.43 H new ATOM 751 N TYR A 51 -14.899 -6.628 -28.653 1.00 14.12 N ATOM 752 CA TYR A 51 -14.680 -7.695 -29.622 1.00 5.20 C ATOM 753 C TYR A 51 -13.404 -8.468 -29.301 1.00 32.20 C ATOM 754 O TYR A 51 -12.803 -8.283 -28.242 1.00 70.43 O ATOM 755 CB TYR A 51 -14.597 -7.118 -31.036 1.00 73.55 C ATOM 756 CG TYR A 51 -15.675 -7.633 -31.964 1.00 32.04 C ATOM 757 CD1 TYR A 51 -15.965 -8.990 -32.039 1.00 44.35 C ATOM 758 CD2 TYR A 51 -16.405 -6.762 -32.763 1.00 50.21 C ATOM 759 CE1 TYR A 51 -16.948 -9.464 -32.886 1.00 20.13 C ATOM 760 CE2 TYR A 51 -17.391 -7.227 -33.611 1.00 73.23 C ATOM 761 CZ TYR A 51 -17.659 -8.579 -33.669 1.00 63.04 C ATOM 762 OH TYR A 51 -18.640 -9.047 -34.513 1.00 30.54 O ATOM 0 H TYR A 51 -14.200 -6.581 -27.912 1.00 14.12 H new ATOM 0 HA TYR A 51 -15.524 -8.382 -29.566 1.00 5.20 H new ATOM 0 HB2 TYR A 51 -14.665 -6.032 -30.981 1.00 73.55 H new ATOM 0 HB3 TYR A 51 -13.621 -7.355 -31.459 1.00 73.55 H new ATOM 0 HD1 TYR A 51 -15.413 -9.686 -31.425 1.00 44.35 H new ATOM 0 HD2 TYR A 51 -16.198 -5.703 -32.720 1.00 50.21 H new ATOM 0 HE1 TYR A 51 -17.159 -10.522 -32.935 1.00 20.13 H new ATOM 0 HE2 TYR A 51 -17.949 -6.536 -34.225 1.00 73.23 H new ATOM 0 HH TYR A 51 -19.045 -8.295 -34.993 1.00 30.54 H new ATOM 772 N ILE A 52 -12.998 -9.334 -30.223 1.00 25.31 N ATOM 773 CA ILE A 52 -11.793 -10.135 -30.040 1.00 12.31 C ATOM 774 C ILE A 52 -10.566 -9.248 -29.861 1.00 3.03 C ATOM 775 O ILE A 52 -10.636 -8.032 -30.032 1.00 2.22 O ATOM 776 CB ILE A 52 -11.559 -11.081 -31.232 1.00 54.25 C ATOM 777 CG1 ILE A 52 -11.690 -10.316 -32.551 1.00 63.13 C ATOM 778 CG2 ILE A 52 -12.542 -12.242 -31.188 1.00 5.11 C ATOM 779 CD1 ILE A 52 -11.250 -11.114 -33.759 1.00 33.53 C ATOM 0 H ILE A 52 -13.485 -9.499 -31.104 1.00 25.31 H new ATOM 0 HA ILE A 52 -11.943 -10.730 -29.139 1.00 12.31 H new ATOM 0 HB ILE A 52 -10.548 -11.483 -31.165 1.00 54.25 H new ATOM 0 HG12 ILE A 52 -12.729 -10.013 -32.684 1.00 63.13 H new ATOM 0 HG13 ILE A 52 -11.097 -9.403 -32.493 1.00 63.13 H new ATOM 0 HG21 ILE A 52 -12.364 -12.902 -32.037 1.00 5.11 H new ATOM 0 HG22 ILE A 52 -12.406 -12.799 -30.261 1.00 5.11 H new ATOM 0 HG23 ILE A 52 -13.561 -11.858 -31.234 1.00 5.11 H new ATOM 0 HD11 ILE A 52 -11.370 -10.509 -34.658 1.00 33.53 H new ATOM 0 HD12 ILE A 52 -10.203 -11.395 -33.648 1.00 33.53 H new ATOM 0 HD13 ILE A 52 -11.860 -12.014 -33.842 1.00 33.53 H new ATOM 791 N ASN A 53 -9.441 -9.867 -29.517 1.00 3.53 N ATOM 792 CA ASN A 53 -8.196 -9.133 -29.315 1.00 71.45 C ATOM 793 C ASN A 53 -7.617 -8.668 -30.648 1.00 55.12 C ATOM 794 O ASN A 53 -7.003 -7.604 -30.732 1.00 63.44 O ATOM 795 CB ASN A 53 -7.177 -10.008 -28.582 1.00 74.32 C ATOM 796 CG ASN A 53 -6.337 -9.217 -27.599 1.00 42.41 C ATOM 797 OD1 ASN A 53 -6.697 -9.076 -26.430 1.00 43.32 O ATOM 798 ND2 ASN A 53 -5.210 -8.695 -28.070 1.00 51.11 N ATOM 0 H ASN A 53 -9.366 -10.874 -29.372 1.00 3.53 H new ATOM 0 HA ASN A 53 -8.415 -8.255 -28.707 1.00 71.45 H new ATOM 0 HB2 ASN A 53 -7.700 -10.803 -28.051 1.00 74.32 H new ATOM 0 HB3 ASN A 53 -6.523 -10.488 -29.311 1.00 74.32 H new ATOM 0 HD21 ASN A 53 -4.604 -8.152 -27.455 1.00 51.11 H new ATOM 0 HD22 ASN A 53 -4.951 -8.837 -29.046 1.00 51.11 H new ATOM 805 N TYR A 54 -7.819 -9.471 -31.687 1.00 10.10 N ATOM 806 CA TYR A 54 -7.316 -9.143 -33.016 1.00 11.34 C ATOM 807 C TYR A 54 -8.463 -8.999 -34.012 1.00 5.31 C ATOM 808 O TYR A 54 -8.488 -9.663 -35.047 1.00 44.22 O ATOM 809 CB TYR A 54 -6.341 -10.219 -33.495 1.00 71.31 C ATOM 810 CG TYR A 54 -6.694 -11.611 -33.020 1.00 51.32 C ATOM 811 CD1 TYR A 54 -7.953 -12.148 -33.257 1.00 74.24 C ATOM 812 CD2 TYR A 54 -5.769 -12.388 -32.334 1.00 12.53 C ATOM 813 CE1 TYR A 54 -8.281 -13.419 -32.825 1.00 2.32 C ATOM 814 CE2 TYR A 54 -6.087 -13.659 -31.899 1.00 33.52 C ATOM 815 CZ TYR A 54 -7.344 -14.171 -32.147 1.00 13.55 C ATOM 816 OH TYR A 54 -7.666 -15.437 -31.714 1.00 4.44 O ATOM 0 H TYR A 54 -8.327 -10.354 -31.635 1.00 10.10 H new ATOM 0 HA TYR A 54 -6.792 -8.190 -32.953 1.00 11.34 H new ATOM 0 HB2 TYR A 54 -6.312 -10.212 -34.585 1.00 71.31 H new ATOM 0 HB3 TYR A 54 -5.338 -9.969 -33.148 1.00 71.31 H new ATOM 0 HD1 TYR A 54 -8.688 -11.562 -33.788 1.00 74.24 H new ATOM 0 HD2 TYR A 54 -4.784 -11.991 -32.138 1.00 12.53 H new ATOM 0 HE1 TYR A 54 -9.265 -13.821 -33.017 1.00 2.32 H new ATOM 0 HE2 TYR A 54 -5.356 -14.250 -31.367 1.00 33.52 H new ATOM 0 HH TYR A 54 -6.895 -15.832 -31.255 1.00 4.44 H new ATOM 826 N GLY A 55 -9.411 -8.124 -33.690 1.00 72.23 N ATOM 827 CA GLY A 55 -10.548 -7.907 -34.566 1.00 63.12 C ATOM 828 C GLY A 55 -11.716 -7.259 -33.850 1.00 50.13 C ATOM 829 O GLY A 55 -12.767 -7.874 -33.680 1.00 34.44 O ATOM 0 H GLY A 55 -9.412 -7.562 -32.839 1.00 72.23 H new ATOM 0 HA2 GLY A 55 -10.244 -7.277 -35.402 1.00 63.12 H new ATOM 0 HA3 GLY A 55 -10.867 -8.861 -34.985 1.00 63.12 H new ATOM 833 N GLY A 56 -11.531 -6.012 -33.428 1.00 54.53 N ATOM 834 CA GLY A 56 -12.586 -5.301 -32.730 1.00 15.11 C ATOM 835 C GLY A 56 -12.386 -3.799 -32.751 1.00 1.42 C ATOM 836 O GLY A 56 -11.401 -3.305 -33.300 1.00 1.31 O ATOM 0 H GLY A 56 -10.669 -5.482 -33.557 1.00 54.53 H new ATOM 0 HA2 GLY A 56 -13.546 -5.543 -33.186 1.00 15.11 H new ATOM 0 HA3 GLY A 56 -12.629 -5.644 -31.696 1.00 15.11 H new ATOM 840 N ARG A 57 -13.323 -3.070 -32.153 1.00 3.32 N ATOM 841 CA ARG A 57 -13.246 -1.615 -32.108 1.00 5.44 C ATOM 842 C ARG A 57 -12.280 -1.155 -31.019 1.00 52.20 C ATOM 843 O ARG A 57 -12.605 -1.189 -29.832 1.00 32.21 O ATOM 844 CB ARG A 57 -14.632 -1.017 -31.861 1.00 2.53 C ATOM 845 CG ARG A 57 -14.608 0.474 -31.565 1.00 51.20 C ATOM 846 CD ARG A 57 -15.088 0.770 -30.153 1.00 22.44 C ATOM 847 NE ARG A 57 -16.519 0.524 -29.998 1.00 31.30 N ATOM 848 CZ ARG A 57 -17.256 1.057 -29.030 1.00 51.32 C ATOM 849 NH1 ARG A 57 -16.700 1.863 -28.136 1.00 63.11 N ATOM 850 NH2 ARG A 57 -18.553 0.786 -28.956 1.00 22.23 N ATOM 0 H ARG A 57 -14.144 -3.463 -31.693 1.00 3.32 H new ATOM 0 HA ARG A 57 -12.874 -1.266 -33.071 1.00 5.44 H new ATOM 0 HB2 ARG A 57 -15.257 -1.195 -32.736 1.00 2.53 H new ATOM 0 HB3 ARG A 57 -15.099 -1.537 -31.025 1.00 2.53 H new ATOM 0 HG2 ARG A 57 -13.595 0.855 -31.693 1.00 51.20 H new ATOM 0 HG3 ARG A 57 -15.239 0.999 -32.282 1.00 51.20 H new ATOM 0 HD2 ARG A 57 -14.535 0.152 -29.445 1.00 22.44 H new ATOM 0 HD3 ARG A 57 -14.870 1.809 -29.907 1.00 22.44 H new ATOM 0 HE ARG A 57 -16.978 -0.091 -30.670 1.00 31.30 H new ATOM 0 HH11 ARG A 57 -15.704 2.075 -28.191 1.00 63.11 H new ATOM 0 HH12 ARG A 57 -17.268 2.271 -27.394 1.00 63.11 H new ATOM 0 HH21 ARG A 57 -18.985 0.168 -29.643 1.00 22.23 H new ATOM 0 HH22 ARG A 57 -19.118 1.196 -28.212 1.00 22.23 H new ATOM 864 N TYR A 58 -11.093 -0.726 -31.432 1.00 3.45 N ATOM 865 CA TYR A 58 -10.079 -0.262 -30.492 1.00 1.12 C ATOM 866 C TYR A 58 -10.356 1.174 -30.056 1.00 63.24 C ATOM 867 O TYR A 58 -10.550 2.060 -30.889 1.00 34.25 O ATOM 868 CB TYR A 58 -8.688 -0.357 -31.122 1.00 12.44 C ATOM 869 CG TYR A 58 -7.624 0.395 -30.355 1.00 2.12 C ATOM 870 CD1 TYR A 58 -7.547 0.312 -28.970 1.00 74.31 C ATOM 871 CD2 TYR A 58 -6.694 1.188 -31.016 1.00 5.25 C ATOM 872 CE1 TYR A 58 -6.577 0.997 -28.266 1.00 10.44 C ATOM 873 CE2 TYR A 58 -5.719 1.876 -30.319 1.00 43.33 C ATOM 874 CZ TYR A 58 -5.665 1.778 -28.945 1.00 1.14 C ATOM 875 OH TYR A 58 -4.696 2.462 -28.247 1.00 22.35 O ATOM 0 H TYR A 58 -10.809 -0.690 -32.411 1.00 3.45 H new ATOM 0 HA TYR A 58 -10.116 -0.903 -29.611 1.00 1.12 H new ATOM 0 HB2 TYR A 58 -8.401 -1.406 -31.192 1.00 12.44 H new ATOM 0 HB3 TYR A 58 -8.732 0.030 -32.140 1.00 12.44 H new ATOM 0 HD1 TYR A 58 -8.259 -0.299 -28.435 1.00 74.31 H new ATOM 0 HD2 TYR A 58 -6.734 1.268 -32.092 1.00 5.25 H new ATOM 0 HE1 TYR A 58 -6.532 0.922 -27.190 1.00 10.44 H new ATOM 0 HE2 TYR A 58 -5.003 2.487 -30.848 1.00 43.33 H new ATOM 0 HH TYR A 58 -4.134 2.964 -28.874 1.00 22.35 H new ATOM 885 N TRP A 59 -10.371 1.395 -28.747 1.00 43.20 N ATOM 886 CA TRP A 59 -10.623 2.723 -28.199 1.00 42.35 C ATOM 887 C TRP A 59 -9.996 2.870 -26.817 1.00 41.34 C ATOM 888 O TRP A 59 -10.519 2.353 -25.830 1.00 62.23 O ATOM 889 CB TRP A 59 -12.127 2.988 -28.121 1.00 53.14 C ATOM 890 CG TRP A 59 -12.500 3.994 -27.075 1.00 2.12 C ATOM 891 CD1 TRP A 59 -12.064 5.285 -26.987 1.00 42.30 C ATOM 892 CD2 TRP A 59 -13.383 3.791 -25.966 1.00 70.44 C ATOM 893 NE1 TRP A 59 -12.623 5.897 -25.891 1.00 23.22 N ATOM 894 CE2 TRP A 59 -13.436 5.001 -25.249 1.00 15.54 C ATOM 895 CE3 TRP A 59 -14.135 2.704 -25.512 1.00 14.43 C ATOM 896 CZ2 TRP A 59 -14.211 5.153 -24.102 1.00 34.02 C ATOM 897 CZ3 TRP A 59 -14.904 2.856 -24.373 1.00 43.32 C ATOM 898 CH2 TRP A 59 -14.938 4.073 -23.679 1.00 42.11 C ATOM 0 H TRP A 59 -10.212 0.672 -28.045 1.00 43.20 H new ATOM 0 HA TRP A 59 -10.166 3.456 -28.864 1.00 42.35 H new ATOM 0 HB2 TRP A 59 -12.478 3.337 -29.092 1.00 53.14 H new ATOM 0 HB3 TRP A 59 -12.643 2.051 -27.914 1.00 53.14 H new ATOM 0 HD1 TRP A 59 -11.380 5.756 -27.678 1.00 42.30 H new ATOM 0 HE1 TRP A 59 -12.459 6.862 -25.603 1.00 23.22 H new ATOM 0 HE3 TRP A 59 -14.116 1.763 -26.041 1.00 14.43 H new ATOM 0 HZ2 TRP A 59 -14.238 6.090 -23.565 1.00 34.02 H new ATOM 0 HZ3 TRP A 59 -15.488 2.023 -24.012 1.00 43.32 H new ATOM 0 HH2 TRP A 59 -15.550 4.161 -22.793 1.00 42.11 H new ATOM 909 N ASP A 60 -8.874 3.579 -26.754 1.00 22.51 N ATOM 910 CA ASP A 60 -8.176 3.794 -25.492 1.00 14.55 C ATOM 911 C ASP A 60 -8.386 5.221 -24.992 1.00 65.33 C ATOM 912 O ASP A 60 -8.724 6.117 -25.766 1.00 13.31 O ATOM 913 CB ASP A 60 -6.682 3.512 -25.655 1.00 51.10 C ATOM 914 CG ASP A 60 -6.038 4.392 -26.708 1.00 55.14 C ATOM 915 OD1 ASP A 60 -6.484 4.344 -27.874 1.00 2.11 O ATOM 916 OD2 ASP A 60 -5.089 5.128 -26.368 1.00 3.35 O ATOM 0 H ASP A 60 -8.429 4.014 -27.562 1.00 22.51 H new ATOM 0 HA ASP A 60 -8.588 3.105 -24.755 1.00 14.55 H new ATOM 0 HB2 ASP A 60 -6.180 3.667 -24.700 1.00 51.10 H new ATOM 0 HB3 ASP A 60 -6.540 2.465 -25.924 1.00 51.10 H new ATOM 921 N LEU A 61 -8.183 5.424 -23.695 1.00 63.42 N ATOM 922 CA LEU A 61 -8.350 6.741 -23.092 1.00 1.14 C ATOM 923 C LEU A 61 -7.544 6.855 -21.801 1.00 54.23 C ATOM 924 O LEU A 61 -7.170 5.849 -21.200 1.00 41.23 O ATOM 925 CB LEU A 61 -9.829 7.010 -22.808 1.00 41.13 C ATOM 926 CG LEU A 61 -10.400 6.360 -21.548 1.00 30.41 C ATOM 927 CD1 LEU A 61 -10.881 7.421 -20.571 1.00 31.24 C ATOM 928 CD2 LEU A 61 -11.533 5.408 -21.905 1.00 44.11 C ATOM 0 H LEU A 61 -7.903 4.693 -23.041 1.00 63.42 H new ATOM 0 HA LEU A 61 -7.980 7.486 -23.797 1.00 1.14 H new ATOM 0 HB2 LEU A 61 -9.974 8.088 -22.734 1.00 41.13 H new ATOM 0 HB3 LEU A 61 -10.411 6.668 -23.664 1.00 41.13 H new ATOM 0 HG LEU A 61 -9.608 5.786 -21.068 1.00 30.41 H new ATOM 0 HD11 LEU A 61 -11.284 6.939 -19.680 1.00 31.24 H new ATOM 0 HD12 LEU A 61 -10.046 8.062 -20.290 1.00 31.24 H new ATOM 0 HD13 LEU A 61 -11.659 8.023 -21.041 1.00 31.24 H new ATOM 0 HD21 LEU A 61 -11.927 4.954 -20.996 1.00 44.11 H new ATOM 0 HD22 LEU A 61 -12.327 5.960 -22.409 1.00 44.11 H new ATOM 0 HD23 LEU A 61 -11.157 4.627 -22.566 1.00 44.11 H new ATOM 940 N GLY A 62 -7.283 8.089 -21.380 1.00 21.12 N ATOM 941 CA GLY A 62 -6.525 8.312 -20.162 1.00 74.22 C ATOM 942 C GLY A 62 -7.406 8.337 -18.928 1.00 45.43 C ATOM 943 O GLY A 62 -8.550 7.884 -18.946 1.00 70.05 O ATOM 0 H GLY A 62 -7.583 8.938 -21.860 1.00 21.12 H new ATOM 0 HA2 GLY A 62 -5.776 7.527 -20.055 1.00 74.22 H new ATOM 0 HA3 GLY A 62 -5.987 9.257 -20.240 1.00 74.22 H new ATOM 947 N PRO A 63 -6.868 8.877 -17.824 1.00 41.13 N ATOM 948 CA PRO A 63 -7.595 8.972 -16.555 1.00 21.21 C ATOM 949 C PRO A 63 -8.760 9.953 -16.626 1.00 2.23 C ATOM 950 O PRO A 63 -8.565 11.167 -16.580 1.00 51.13 O ATOM 951 CB PRO A 63 -6.532 9.473 -15.574 1.00 50.41 C ATOM 952 CG PRO A 63 -5.531 10.175 -16.426 1.00 73.10 C ATOM 953 CD PRO A 63 -5.509 9.437 -17.731 1.00 12.05 C ATOM 0 HA PRO A 63 -8.043 8.020 -16.270 1.00 21.21 H new ATOM 0 HB2 PRO A 63 -6.963 10.146 -14.833 1.00 50.41 H new ATOM 0 HB3 PRO A 63 -6.077 8.647 -15.027 1.00 50.41 H new ATOM 0 HG2 PRO A 63 -5.807 11.219 -16.573 1.00 73.10 H new ATOM 0 HG3 PRO A 63 -4.547 10.169 -15.957 1.00 73.10 H new ATOM 0 HD2 PRO A 63 -5.290 10.102 -18.566 1.00 12.05 H new ATOM 0 HD3 PRO A 63 -4.750 8.655 -17.739 1.00 12.05 H new ATOM 961 N GLY A 64 -9.972 9.419 -16.737 1.00 32.20 N ATOM 962 CA GLY A 64 -11.151 10.262 -16.812 1.00 3.31 C ATOM 963 C GLY A 64 -12.435 9.484 -16.605 1.00 61.02 C ATOM 964 O GLY A 64 -12.470 8.270 -16.801 1.00 21.30 O ATOM 0 H GLY A 64 -10.159 8.417 -16.776 1.00 32.20 H new ATOM 0 HA2 GLY A 64 -11.081 11.047 -16.059 1.00 3.31 H new ATOM 0 HA3 GLY A 64 -11.181 10.754 -17.784 1.00 3.31 H new ATOM 968 N GLU A 65 -13.492 10.185 -16.207 1.00 33.50 N ATOM 969 CA GLU A 65 -14.784 9.550 -15.971 1.00 63.33 C ATOM 970 C GLU A 65 -15.793 9.955 -17.042 1.00 3.12 C ATOM 971 O GLU A 65 -15.780 11.088 -17.525 1.00 71.52 O ATOM 972 CB GLU A 65 -15.315 9.923 -14.586 1.00 54.40 C ATOM 973 CG GLU A 65 -16.733 9.442 -14.328 1.00 72.11 C ATOM 974 CD GLU A 65 -17.765 10.537 -14.516 1.00 3.51 C ATOM 975 OE1 GLU A 65 -17.667 11.569 -13.818 1.00 73.14 O ATOM 976 OE2 GLU A 65 -18.669 10.364 -15.359 1.00 62.34 O ATOM 0 H GLU A 65 -13.480 11.191 -16.041 1.00 33.50 H new ATOM 0 HA GLU A 65 -14.644 8.470 -16.019 1.00 63.33 H new ATOM 0 HB2 GLU A 65 -14.654 9.503 -13.828 1.00 54.40 H new ATOM 0 HB3 GLU A 65 -15.282 11.007 -14.473 1.00 54.40 H new ATOM 0 HG2 GLU A 65 -16.960 8.615 -15.001 1.00 72.11 H new ATOM 0 HG3 GLU A 65 -16.802 9.054 -13.312 1.00 72.11 H new ATOM 983 N TYR A 66 -16.665 9.022 -17.408 1.00 2.43 N ATOM 984 CA TYR A 66 -17.679 9.280 -18.423 1.00 0.50 C ATOM 985 C TYR A 66 -18.823 8.277 -18.317 1.00 54.12 C ATOM 986 O TYR A 66 -18.671 7.204 -17.733 1.00 15.53 O ATOM 987 CB TYR A 66 -17.059 9.219 -19.820 1.00 74.21 C ATOM 988 CG TYR A 66 -17.259 7.890 -20.513 1.00 21.32 C ATOM 989 CD1 TYR A 66 -16.391 6.829 -20.287 1.00 21.31 C ATOM 990 CD2 TYR A 66 -18.317 7.695 -21.393 1.00 24.22 C ATOM 991 CE1 TYR A 66 -16.569 5.613 -20.918 1.00 51.13 C ATOM 992 CE2 TYR A 66 -18.503 6.482 -22.028 1.00 14.05 C ATOM 993 CZ TYR A 66 -17.627 5.445 -21.787 1.00 62.54 C ATOM 994 OH TYR A 66 -17.809 4.235 -22.417 1.00 64.43 O ATOM 0 H TYR A 66 -16.690 8.080 -17.017 1.00 2.43 H new ATOM 0 HA TYR A 66 -18.080 10.279 -18.254 1.00 0.50 H new ATOM 0 HB2 TYR A 66 -17.491 10.009 -20.435 1.00 74.21 H new ATOM 0 HB3 TYR A 66 -15.991 9.423 -19.744 1.00 74.21 H new ATOM 0 HD1 TYR A 66 -15.563 6.957 -19.606 1.00 21.31 H new ATOM 0 HD2 TYR A 66 -19.005 8.505 -21.584 1.00 24.22 H new ATOM 0 HE1 TYR A 66 -15.884 4.799 -20.732 1.00 51.13 H new ATOM 0 HE2 TYR A 66 -19.330 6.347 -22.709 1.00 14.05 H new ATOM 0 HH TYR A 66 -18.599 4.282 -22.994 1.00 64.43 H new ATOM 1004 N SER A 67 -19.969 8.634 -18.888 1.00 15.31 N ATOM 1005 CA SER A 67 -21.142 7.768 -18.856 1.00 61.10 C ATOM 1006 C SER A 67 -22.132 8.153 -19.951 1.00 62.24 C ATOM 1007 O SER A 67 -23.218 8.661 -19.672 1.00 25.24 O ATOM 1008 CB SER A 67 -21.822 7.845 -17.488 1.00 13.21 C ATOM 1009 OG SER A 67 -22.370 9.133 -17.263 1.00 31.53 O ATOM 0 H SER A 67 -20.110 9.517 -19.378 1.00 15.31 H new ATOM 0 HA SER A 67 -20.812 6.744 -19.033 1.00 61.10 H new ATOM 0 HB2 SER A 67 -22.611 7.095 -17.428 1.00 13.21 H new ATOM 0 HB3 SER A 67 -21.100 7.612 -16.706 1.00 13.21 H new ATOM 0 HG SER A 67 -22.948 9.379 -18.016 1.00 31.53 H new ATOM 1015 N SER A 68 -21.748 7.907 -21.200 1.00 31.30 N ATOM 1016 CA SER A 68 -22.599 8.230 -22.339 1.00 11.50 C ATOM 1017 C SER A 68 -23.591 7.104 -22.614 1.00 10.24 C ATOM 1018 O SER A 68 -23.734 6.178 -21.815 1.00 3.43 O ATOM 1019 CB SER A 68 -21.746 8.489 -23.583 1.00 33.24 C ATOM 1020 OG SER A 68 -20.753 9.466 -23.326 1.00 11.42 O ATOM 0 H SER A 68 -20.853 7.485 -21.448 1.00 31.30 H new ATOM 0 HA SER A 68 -23.160 9.133 -22.097 1.00 11.50 H new ATOM 0 HB2 SER A 68 -21.273 7.561 -23.903 1.00 33.24 H new ATOM 0 HB3 SER A 68 -22.384 8.821 -24.402 1.00 33.24 H new ATOM 0 HG SER A 68 -20.221 9.612 -24.136 1.00 11.42 H new ATOM 1026 N VAL A 69 -24.275 7.191 -23.750 1.00 70.51 N ATOM 1027 CA VAL A 69 -25.253 6.179 -24.132 1.00 52.23 C ATOM 1028 C VAL A 69 -25.640 6.316 -25.601 1.00 24.32 C ATOM 1029 O VAL A 69 -26.760 5.987 -25.991 1.00 4.54 O ATOM 1030 CB VAL A 69 -26.524 6.273 -23.268 1.00 34.35 C ATOM 1031 CG1 VAL A 69 -27.329 7.511 -23.633 1.00 20.22 C ATOM 1032 CG2 VAL A 69 -27.366 5.015 -23.421 1.00 53.10 C ATOM 0 H VAL A 69 -24.170 7.951 -24.422 1.00 70.51 H new ATOM 0 HA VAL A 69 -24.784 5.208 -23.971 1.00 52.23 H new ATOM 0 HB VAL A 69 -26.226 6.359 -22.223 1.00 34.35 H new ATOM 0 HG11 VAL A 69 -28.223 7.560 -23.012 1.00 20.22 H new ATOM 0 HG12 VAL A 69 -26.723 8.401 -23.467 1.00 20.22 H new ATOM 0 HG13 VAL A 69 -27.619 7.460 -24.683 1.00 20.22 H new ATOM 0 HG21 VAL A 69 -28.260 5.098 -22.804 1.00 53.10 H new ATOM 0 HG22 VAL A 69 -27.656 4.896 -24.465 1.00 53.10 H new ATOM 0 HG23 VAL A 69 -26.786 4.148 -23.104 1.00 53.10 H new ATOM 1042 N GLU A 70 -24.704 6.802 -26.411 1.00 31.25 N ATOM 1043 CA GLU A 70 -24.948 6.982 -27.837 1.00 22.21 C ATOM 1044 C GLU A 70 -23.733 7.600 -28.523 1.00 24.42 C ATOM 1045 O GLU A 70 -23.499 7.380 -29.711 1.00 40.12 O ATOM 1046 CB GLU A 70 -26.177 7.866 -28.059 1.00 61.44 C ATOM 1047 CG GLU A 70 -26.212 9.095 -27.167 1.00 40.12 C ATOM 1048 CD GLU A 70 -26.916 10.269 -27.819 1.00 53.12 C ATOM 1049 OE1 GLU A 70 -27.976 10.052 -28.444 1.00 63.11 O ATOM 1050 OE2 GLU A 70 -26.409 11.404 -27.705 1.00 44.11 O ATOM 0 H GLU A 70 -23.771 7.078 -26.104 1.00 31.25 H new ATOM 0 HA GLU A 70 -25.131 6.001 -28.275 1.00 22.21 H new ATOM 0 HB2 GLU A 70 -26.202 8.183 -29.101 1.00 61.44 H new ATOM 0 HB3 GLU A 70 -27.076 7.275 -27.884 1.00 61.44 H new ATOM 0 HG2 GLU A 70 -26.716 8.847 -26.233 1.00 40.12 H new ATOM 0 HG3 GLU A 70 -25.192 9.384 -26.912 1.00 40.12 H new ATOM 1057 N SER A 71 -22.963 8.374 -27.765 1.00 25.43 N ATOM 1058 CA SER A 71 -21.774 9.027 -28.299 1.00 43.25 C ATOM 1059 C SER A 71 -20.542 8.145 -28.120 1.00 42.24 C ATOM 1060 O SER A 71 -19.410 8.625 -28.163 1.00 44.42 O ATOM 1061 CB SER A 71 -21.554 10.376 -27.611 1.00 20.41 C ATOM 1062 OG SER A 71 -20.510 11.103 -28.235 1.00 54.04 O ATOM 0 H SER A 71 -23.141 8.564 -26.779 1.00 25.43 H new ATOM 0 HA SER A 71 -21.929 9.192 -29.365 1.00 43.25 H new ATOM 0 HB2 SER A 71 -22.475 10.958 -27.642 1.00 20.41 H new ATOM 0 HB3 SER A 71 -21.313 10.217 -26.560 1.00 20.41 H new ATOM 0 HG SER A 71 -19.762 10.500 -28.428 1.00 54.04 H new ATOM 1068 N ALA A 72 -20.772 6.852 -27.919 1.00 71.25 N ATOM 1069 CA ALA A 72 -19.682 5.901 -27.736 1.00 14.43 C ATOM 1070 C ALA A 72 -19.947 4.608 -28.499 1.00 51.34 C ATOM 1071 O ALA A 72 -19.388 3.561 -28.178 1.00 62.43 O ATOM 1072 CB ALA A 72 -19.479 5.611 -26.256 1.00 74.31 C ATOM 0 H ALA A 72 -21.704 6.439 -27.879 1.00 71.25 H new ATOM 0 HA ALA A 72 -18.772 6.347 -28.136 1.00 14.43 H new ATOM 0 HB1 ALA A 72 -18.662 4.900 -26.133 1.00 74.31 H new ATOM 0 HB2 ALA A 72 -19.236 6.536 -25.734 1.00 74.31 H new ATOM 0 HB3 ALA A 72 -20.393 5.189 -25.839 1.00 74.31 H new ATOM 1078 N GLY A 73 -20.805 4.689 -29.512 1.00 42.32 N ATOM 1079 CA GLY A 73 -21.129 3.518 -30.305 1.00 72.11 C ATOM 1080 C GLY A 73 -21.887 2.472 -29.511 1.00 43.13 C ATOM 1081 O GLY A 73 -21.624 2.273 -28.325 1.00 1.32 O ATOM 0 H GLY A 73 -21.281 5.545 -29.797 1.00 42.32 H new ATOM 0 HA2 GLY A 73 -21.726 3.820 -31.166 1.00 72.11 H new ATOM 0 HA3 GLY A 73 -20.209 3.080 -30.693 1.00 72.11 H new ATOM 1085 N ILE A 74 -22.830 1.803 -30.166 1.00 10.32 N ATOM 1086 CA ILE A 74 -23.628 0.773 -29.513 1.00 10.12 C ATOM 1087 C ILE A 74 -23.806 -0.441 -30.419 1.00 14.45 C ATOM 1088 O ILE A 74 -24.904 -0.740 -30.888 1.00 53.34 O ATOM 1089 CB ILE A 74 -25.015 1.307 -29.109 1.00 73.25 C ATOM 1090 CG1 ILE A 74 -24.872 2.564 -28.249 1.00 22.55 C ATOM 1091 CG2 ILE A 74 -25.799 0.236 -28.366 1.00 73.42 C ATOM 1092 CD1 ILE A 74 -26.195 3.138 -27.792 1.00 62.41 C ATOM 0 H ILE A 74 -23.060 1.956 -31.148 1.00 10.32 H new ATOM 0 HA ILE A 74 -23.087 0.476 -28.615 1.00 10.12 H new ATOM 0 HB ILE A 74 -25.564 1.570 -30.013 1.00 73.25 H new ATOM 0 HG12 ILE A 74 -24.266 2.329 -27.374 1.00 22.55 H new ATOM 0 HG13 ILE A 74 -24.333 3.323 -28.816 1.00 22.55 H new ATOM 0 HG21 ILE A 74 -26.777 0.629 -28.087 1.00 73.42 H new ATOM 0 HG22 ILE A 74 -25.927 -0.634 -29.010 1.00 73.42 H new ATOM 0 HG23 ILE A 74 -25.255 -0.055 -27.467 1.00 73.42 H new ATOM 0 HD11 ILE A 74 -26.016 4.027 -27.187 1.00 62.41 H new ATOM 0 HD12 ILE A 74 -26.795 3.405 -28.662 1.00 62.41 H new ATOM 0 HD13 ILE A 74 -26.728 2.396 -27.197 1.00 62.41 H new ATOM 1104 N PRO A 75 -22.702 -1.159 -30.669 1.00 62.22 N ATOM 1105 CA PRO A 75 -22.711 -2.354 -31.518 1.00 64.04 C ATOM 1106 C PRO A 75 -23.118 -3.607 -30.751 1.00 63.44 C ATOM 1107 O PRO A 75 -24.058 -4.303 -31.135 1.00 33.14 O ATOM 1108 CB PRO A 75 -21.259 -2.464 -31.991 1.00 23.12 C ATOM 1109 CG PRO A 75 -20.690 -1.102 -31.788 1.00 72.05 C ATOM 1110 CD PRO A 75 -21.359 -0.861 -30.143 1.00 15.25 C ATOM 0 HA PRO A 75 -23.433 -2.271 -32.330 1.00 64.04 H new ATOM 0 HB2 PRO A 75 -20.711 -3.211 -31.417 1.00 23.12 H new ATOM 0 HB3 PRO A 75 -21.205 -2.764 -33.038 1.00 23.12 H new ATOM 0 HG2 PRO A 75 -19.601 -1.078 -31.821 1.00 72.05 H new ATOM 0 HG3 PRO A 75 -21.047 -0.370 -32.513 1.00 72.05 H new ATOM 0 HD2 PRO A 75 -20.993 -1.558 -29.389 1.00 15.25 H new ATOM 0 HD3 PRO A 75 -21.235 0.143 -29.736 1.00 15.25 H new ATOM 1118 N ASP A 76 -22.404 -3.889 -29.667 1.00 34.32 N ATOM 1119 CA ASP A 76 -22.693 -5.059 -28.845 1.00 2.34 C ATOM 1120 C ASP A 76 -21.731 -5.143 -27.664 1.00 23.43 C ATOM 1121 O ASP A 76 -20.521 -4.989 -27.824 1.00 62.11 O ATOM 1122 CB ASP A 76 -22.603 -6.334 -29.684 1.00 44.13 C ATOM 1123 CG ASP A 76 -23.889 -7.136 -29.659 1.00 1.01 C ATOM 1124 OD1 ASP A 76 -24.958 -6.551 -29.931 1.00 2.12 O ATOM 1125 OD2 ASP A 76 -23.827 -8.349 -29.366 1.00 44.32 O ATOM 0 H ASP A 76 -21.621 -3.324 -29.337 1.00 34.32 H new ATOM 0 HA ASP A 76 -23.707 -4.960 -28.459 1.00 2.34 H new ATOM 0 HB2 ASP A 76 -22.362 -6.071 -30.714 1.00 44.13 H new ATOM 0 HB3 ASP A 76 -21.785 -6.952 -29.313 1.00 44.13 H new ATOM 1130 N ASN A 77 -22.278 -5.389 -26.478 1.00 2.44 N ATOM 1131 CA ASN A 77 -21.468 -5.492 -25.269 1.00 71.00 C ATOM 1132 C ASN A 77 -21.036 -6.935 -25.025 1.00 54.13 C ATOM 1133 O ASN A 77 -21.022 -7.406 -23.888 1.00 53.20 O ATOM 1134 CB ASN A 77 -22.249 -4.970 -24.061 1.00 23.41 C ATOM 1135 CG ASN A 77 -21.344 -4.365 -23.005 1.00 63.13 C ATOM 1136 OD1 ASN A 77 -21.487 -3.197 -22.645 1.00 2.31 O ATOM 1137 ND2 ASN A 77 -20.405 -5.160 -22.504 1.00 52.04 N ATOM 0 H ASN A 77 -23.278 -5.521 -26.328 1.00 2.44 H new ATOM 0 HA ASN A 77 -20.575 -4.883 -25.407 1.00 71.00 H new ATOM 0 HB2 ASN A 77 -22.967 -4.220 -24.393 1.00 23.41 H new ATOM 0 HB3 ASN A 77 -22.821 -5.787 -23.621 1.00 23.41 H new ATOM 0 HD21 ASN A 77 -19.766 -4.808 -21.791 1.00 52.04 H new ATOM 0 HD22 ASN A 77 -20.323 -6.122 -22.832 1.00 52.04 H new ATOM 1144 N SER A 78 -20.684 -7.631 -26.101 1.00 74.43 N ATOM 1145 CA SER A 78 -20.255 -9.022 -26.005 1.00 52.33 C ATOM 1146 C SER A 78 -18.806 -9.175 -26.456 1.00 24.02 C ATOM 1147 O SER A 78 -18.297 -8.366 -27.232 1.00 3.32 O ATOM 1148 CB SER A 78 -21.162 -9.917 -26.852 1.00 62.11 C ATOM 1149 OG SER A 78 -22.265 -10.386 -26.097 1.00 14.54 O ATOM 0 H SER A 78 -20.687 -7.255 -27.049 1.00 74.43 H new ATOM 0 HA SER A 78 -20.327 -9.328 -24.961 1.00 52.33 H new ATOM 0 HB2 SER A 78 -21.520 -9.361 -27.718 1.00 62.11 H new ATOM 0 HB3 SER A 78 -20.590 -10.764 -27.231 1.00 62.11 H new ATOM 0 HG SER A 78 -22.830 -10.954 -26.661 1.00 14.54 H new ATOM 1155 N ILE A 79 -18.147 -10.219 -25.963 1.00 50.43 N ATOM 1156 CA ILE A 79 -16.757 -10.479 -26.315 1.00 62.34 C ATOM 1157 C ILE A 79 -15.900 -9.231 -26.132 1.00 21.42 C ATOM 1158 O ILE A 79 -14.914 -9.033 -26.842 1.00 53.41 O ATOM 1159 CB ILE A 79 -16.627 -10.968 -27.770 1.00 63.31 C ATOM 1160 CG1 ILE A 79 -17.762 -11.936 -28.109 1.00 54.24 C ATOM 1161 CG2 ILE A 79 -15.275 -11.633 -27.987 1.00 12.54 C ATOM 1162 CD1 ILE A 79 -17.692 -12.480 -29.519 1.00 24.10 C ATOM 0 H ILE A 79 -18.554 -10.898 -25.319 1.00 50.43 H new ATOM 0 HA ILE A 79 -16.403 -11.261 -25.644 1.00 62.34 H new ATOM 0 HB ILE A 79 -16.698 -10.107 -28.434 1.00 63.31 H new ATOM 0 HG12 ILE A 79 -17.741 -12.768 -27.406 1.00 54.24 H new ATOM 0 HG13 ILE A 79 -18.716 -11.427 -27.972 1.00 54.24 H new ATOM 0 HG21 ILE A 79 -15.198 -11.973 -29.020 1.00 12.54 H new ATOM 0 HG22 ILE A 79 -14.480 -10.916 -27.781 1.00 12.54 H new ATOM 0 HG23 ILE A 79 -15.177 -12.486 -27.316 1.00 12.54 H new ATOM 0 HD11 ILE A 79 -18.528 -13.159 -29.689 1.00 24.10 H new ATOM 0 HD12 ILE A 79 -17.744 -11.656 -30.230 1.00 24.10 H new ATOM 0 HD13 ILE A 79 -16.754 -13.018 -29.655 1.00 24.10 H new ATOM 1174 N SER A 80 -16.282 -8.394 -25.173 1.00 5.02 N ATOM 1175 CA SER A 80 -15.549 -7.164 -24.896 1.00 53.43 C ATOM 1176 C SER A 80 -14.396 -7.423 -23.932 1.00 12.24 C ATOM 1177 O SER A 80 -14.426 -8.376 -23.153 1.00 63.14 O ATOM 1178 CB SER A 80 -16.489 -6.106 -24.314 1.00 2.03 C ATOM 1179 OG SER A 80 -17.777 -6.191 -24.898 1.00 50.31 O ATOM 0 H SER A 80 -17.094 -8.545 -24.575 1.00 5.02 H new ATOM 0 HA SER A 80 -15.137 -6.796 -25.836 1.00 53.43 H new ATOM 0 HB2 SER A 80 -16.566 -6.238 -23.235 1.00 2.03 H new ATOM 0 HB3 SER A 80 -16.074 -5.113 -24.485 1.00 2.03 H new ATOM 0 HG SER A 80 -18.368 -5.527 -24.485 1.00 50.31 H new ATOM 1185 N SER A 81 -13.381 -6.567 -23.989 1.00 50.31 N ATOM 1186 CA SER A 81 -12.215 -6.704 -23.124 1.00 14.02 C ATOM 1187 C SER A 81 -11.451 -5.387 -23.029 1.00 12.12 C ATOM 1188 O SER A 81 -11.278 -4.683 -24.024 1.00 53.00 O ATOM 1189 CB SER A 81 -11.292 -7.806 -23.647 1.00 51.25 C ATOM 1190 OG SER A 81 -11.076 -8.801 -22.662 1.00 71.23 O ATOM 0 H SER A 81 -13.342 -5.771 -24.625 1.00 50.31 H new ATOM 0 HA SER A 81 -12.563 -6.975 -22.127 1.00 14.02 H new ATOM 0 HB2 SER A 81 -11.730 -8.259 -24.536 1.00 51.25 H new ATOM 0 HB3 SER A 81 -10.337 -7.373 -23.947 1.00 51.25 H new ATOM 0 HG SER A 81 -10.484 -9.494 -23.022 1.00 71.23 H new ATOM 1196 N PHE A 82 -10.996 -5.060 -21.824 1.00 64.10 N ATOM 1197 CA PHE A 82 -10.250 -3.827 -21.597 1.00 34.31 C ATOM 1198 C PHE A 82 -9.151 -4.039 -20.560 1.00 60.53 C ATOM 1199 O PHE A 82 -9.377 -4.654 -19.517 1.00 44.44 O ATOM 1200 CB PHE A 82 -11.193 -2.714 -21.136 1.00 54.12 C ATOM 1201 CG PHE A 82 -11.661 -2.873 -19.718 1.00 33.31 C ATOM 1202 CD1 PHE A 82 -12.569 -3.865 -19.381 1.00 51.52 C ATOM 1203 CD2 PHE A 82 -11.193 -2.032 -18.721 1.00 70.43 C ATOM 1204 CE1 PHE A 82 -13.002 -4.013 -18.077 1.00 42.30 C ATOM 1205 CE2 PHE A 82 -11.622 -2.176 -17.415 1.00 61.11 C ATOM 1206 CZ PHE A 82 -12.527 -3.168 -17.093 1.00 23.34 C ATOM 0 H PHE A 82 -11.131 -5.631 -20.990 1.00 64.10 H new ATOM 0 HA PHE A 82 -9.785 -3.534 -22.538 1.00 34.31 H new ATOM 0 HB2 PHE A 82 -10.686 -1.754 -21.237 1.00 54.12 H new ATOM 0 HB3 PHE A 82 -12.060 -2.687 -21.796 1.00 54.12 H new ATOM 0 HD1 PHE A 82 -12.942 -4.530 -20.146 1.00 51.52 H new ATOM 0 HD2 PHE A 82 -10.485 -1.255 -18.967 1.00 70.43 H new ATOM 0 HE1 PHE A 82 -13.711 -4.789 -17.828 1.00 42.30 H new ATOM 0 HE2 PHE A 82 -11.250 -1.514 -16.647 1.00 61.11 H new ATOM 0 HZ PHE A 82 -12.863 -3.283 -16.073 1.00 23.34 H new ATOM 1216 N ARG A 83 -7.961 -3.527 -20.856 1.00 23.43 N ATOM 1217 CA ARG A 83 -6.825 -3.662 -19.951 1.00 53.21 C ATOM 1218 C ARG A 83 -6.297 -2.292 -19.534 1.00 72.23 C ATOM 1219 O ARG A 83 -6.195 -1.381 -20.355 1.00 4.33 O ATOM 1220 CB ARG A 83 -5.709 -4.470 -20.616 1.00 13.12 C ATOM 1221 CG ARG A 83 -6.178 -5.797 -21.191 1.00 3.33 C ATOM 1222 CD ARG A 83 -5.563 -6.973 -20.449 1.00 62.31 C ATOM 1223 NE ARG A 83 -5.622 -8.205 -21.232 1.00 11.14 N ATOM 1224 CZ ARG A 83 -4.906 -9.288 -20.952 1.00 64.15 C ATOM 1225 NH1 ARG A 83 -4.080 -9.292 -19.915 1.00 12.11 N ATOM 1226 NH2 ARG A 83 -5.015 -10.371 -21.712 1.00 5.12 N ATOM 0 H ARG A 83 -7.758 -3.015 -21.715 1.00 23.43 H new ATOM 0 HA ARG A 83 -7.163 -4.189 -19.059 1.00 53.21 H new ATOM 0 HB2 ARG A 83 -5.266 -3.874 -21.414 1.00 13.12 H new ATOM 0 HB3 ARG A 83 -4.923 -4.658 -19.885 1.00 13.12 H new ATOM 0 HG2 ARG A 83 -7.265 -5.856 -21.133 1.00 3.33 H new ATOM 0 HG3 ARG A 83 -5.912 -5.852 -22.247 1.00 3.33 H new ATOM 0 HD2 ARG A 83 -4.525 -6.746 -20.207 1.00 62.31 H new ATOM 0 HD3 ARG A 83 -6.086 -7.119 -19.504 1.00 62.31 H new ATOM 0 HE ARG A 83 -6.247 -8.235 -22.037 1.00 11.14 H new ATOM 0 HH11 ARG A 83 -3.993 -8.462 -19.329 1.00 12.11 H new ATOM 0 HH12 ARG A 83 -3.532 -10.126 -19.703 1.00 12.11 H new ATOM 0 HH21 ARG A 83 -5.649 -10.372 -22.511 1.00 5.12 H new ATOM 0 HH22 ARG A 83 -4.465 -11.203 -21.497 1.00 5.12 H new ATOM 1240 N GLN A 84 -5.965 -2.156 -18.255 1.00 24.43 N ATOM 1241 CA GLN A 84 -5.449 -0.898 -17.729 1.00 44.25 C ATOM 1242 C GLN A 84 -3.925 -0.922 -17.656 1.00 74.24 C ATOM 1243 O GLN A 84 -3.328 -1.934 -17.288 1.00 73.21 O ATOM 1244 CB GLN A 84 -6.033 -0.621 -16.343 1.00 71.32 C ATOM 1245 CG GLN A 84 -7.553 -0.635 -16.310 1.00 41.41 C ATOM 1246 CD GLN A 84 -8.110 -1.843 -15.584 1.00 32.01 C ATOM 1247 OE1 GLN A 84 -7.899 -2.012 -14.383 1.00 3.03 O ATOM 1248 NE2 GLN A 84 -8.828 -2.692 -16.311 1.00 5.13 N ATOM 0 H GLN A 84 -6.044 -2.902 -17.563 1.00 24.43 H new ATOM 0 HA GLN A 84 -5.750 -0.100 -18.408 1.00 44.25 H new ATOM 0 HB2 GLN A 84 -5.656 -1.367 -15.643 1.00 71.32 H new ATOM 0 HB3 GLN A 84 -5.679 0.350 -15.996 1.00 71.32 H new ATOM 0 HG2 GLN A 84 -7.910 0.273 -15.824 1.00 41.41 H new ATOM 0 HG3 GLN A 84 -7.935 -0.621 -17.331 1.00 41.41 H new ATOM 0 HE21 GLN A 84 -8.978 -2.513 -17.304 1.00 5.13 H new ATOM 0 HE22 GLN A 84 -9.229 -3.523 -15.876 1.00 5.13 H new ATOM 1257 N ILE A 85 -3.303 0.197 -18.010 1.00 11.33 N ATOM 1258 CA ILE A 85 -1.850 0.304 -17.983 1.00 64.22 C ATOM 1259 C ILE A 85 -1.388 1.246 -16.877 1.00 5.11 C ATOM 1260 O ILE A 85 -1.487 2.461 -17.040 1.00 44.21 O ATOM 1261 CB ILE A 85 -1.297 0.803 -19.331 1.00 71.03 C ATOM 1262 CG1 ILE A 85 -1.955 0.048 -20.488 1.00 64.41 C ATOM 1263 CG2 ILE A 85 0.215 0.640 -19.377 1.00 11.41 C ATOM 1264 CD1 ILE A 85 -1.777 -1.453 -20.409 1.00 12.45 C ATOM 0 H ILE A 85 -3.783 1.043 -18.319 1.00 11.33 H new ATOM 0 HA ILE A 85 -1.464 -0.697 -17.789 1.00 64.22 H new ATOM 0 HB ILE A 85 -1.532 1.863 -19.433 1.00 71.03 H new ATOM 0 HG12 ILE A 85 -3.020 0.279 -20.503 1.00 64.41 H new ATOM 0 HG13 ILE A 85 -1.538 0.406 -21.429 1.00 64.41 H new ATOM 0 HG21 ILE A 85 0.590 0.997 -20.336 1.00 11.41 H new ATOM 0 HG22 ILE A 85 0.668 1.218 -18.572 1.00 11.41 H new ATOM 0 HG23 ILE A 85 0.471 -0.413 -19.256 1.00 11.41 H new ATOM 0 HD11 ILE A 85 -2.269 -1.923 -21.261 1.00 12.45 H new ATOM 0 HD12 ILE A 85 -0.714 -1.695 -20.425 1.00 12.45 H new ATOM 0 HD13 ILE A 85 -2.220 -1.824 -19.484 1.00 12.45 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.648 -1.393 -21.055 1.00 63.20 CA HETATM 1278 CA CA A 136 -19.117 -5.107 -27.238 1.00 35.43 CA