USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1167 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 107 ASN :FLIP amide:sc= -1.04 F(o=-3!,f=-1) USER MOD Set 1.2: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 SER OG : rot 161:sc= 0.409 USER MOD Set 2.2: A 62 THR OG1 : rot 47:sc= -0.631 USER MOD Set 3.1: A 42 THR OG1 : rot 112:sc= 0.245 USER MOD Set 3.2: A 55 ASN :FLIP amide:sc= -4.78! C(o=-6.5!,f=-4.5!) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 SER OG : rot -120:sc= -0.432 USER MOD Single : A 1 THR N :NH3+ 178:sc= 0.0198 (180deg=0.0194) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.12 USER MOD Single : A 10 ASN : amide:sc= -5.97! C(o=-6!,f=-14!) USER MOD Single : A 13 SER OG : rot 45:sc= 0.725 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.702 F(o=-2.8!,f=-0.7) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0138 F(o=-1.6!,f=-0.014) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-2.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 40 TYR OH : rot -120:sc= 0.664 USER MOD Single : A 48 GLN :FLIP amide:sc= -10.7! C(o=-15!,f=-11!) USER MOD Single : A 50 GLN : amide:sc= 0.0232 X(o=0.023,f=-0.078) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.811! X(o=-0.81!,f=-0.87) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 73 THR OG1 : rot -14:sc= -1.13! USER MOD Single : A 74 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.377 F(o=-2.4!,f=-0.38) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 99 MET CE :methyl 146:sc= -2.37 (180deg=-5.51!) USER MOD Single : A 103 ASN :FLIP amide:sc= 0.607 F(o=-1.7,f=0.61) USER MOD Single : A 108 THR OG1 : rot -4:sc= -0.381 USER MOD Single : A 112 THR OG1 : rot 71:sc= -0.838 USER MOD Single : A 115 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-6.2!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 151:sc= -3.87! (180deg=-4.4!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 124 MET CE :methyl 148:sc=-0.00519 (180deg=-1.48) USER MOD Single : A 142 MET CE :methyl 180:sc= -0.0505 (180deg=-0.0505) USER MOD Single : A 145 GLN :FLIP amide:sc= -1.68 F(o=-4.2!,f=-1.7) USER MOD Single : A 148 HIS : no HD1:sc= -0.945 K(o=-0.95,f=-2.1!) USER MOD Single : A 149 THR OG1 : rot -115:sc= 0.946 USER MOD Single : A 154 LYS NZ :NH3+ 166:sc= -0.0319 (180deg=-0.298) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.833 F(o=-5.6!,f=-0.83) USER MOD Single : A 157 LYS NZ :NH3+ -153:sc= -8.35! (180deg=-9.79!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.653 -9.390 -14.605 1.00 0.82 N ATOM 2 CA THR A 1 2.815 -9.682 -13.413 1.00 0.59 C ATOM 3 C THR A 1 2.331 -8.394 -12.754 1.00 0.52 C ATOM 4 O THR A 1 3.128 -7.613 -12.233 1.00 0.52 O ATOM 5 CB THR A 1 3.645 -10.502 -12.422 1.00 0.64 C ATOM 6 OG1 THR A 1 4.096 -11.704 -13.022 1.00 0.92 O ATOM 7 CG2 THR A 1 2.886 -10.876 -11.167 1.00 0.62 C ATOM 0 H1 THR A 1 3.997 -10.282 -15.014 1.00 0.82 H new ATOM 0 H2 THR A 1 3.085 -8.881 -15.312 1.00 0.82 H new ATOM 0 H3 THR A 1 4.464 -8.803 -14.324 1.00 0.82 H new ATOM 0 HA THR A 1 1.935 -10.246 -13.722 1.00 0.59 H new ATOM 0 HB THR A 1 4.479 -9.858 -12.144 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.626 -12.214 -12.374 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.534 -11.456 -10.509 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.564 -9.970 -10.653 1.00 0.62 H new ATOM 0 HG23 THR A 1 2.013 -11.472 -11.434 1.00 0.62 H new ATOM 17 N VAL A 2 1.020 -8.183 -12.774 1.00 0.54 N ATOM 18 CA VAL A 2 0.431 -6.991 -12.176 1.00 0.54 C ATOM 19 C VAL A 2 0.341 -7.134 -10.660 1.00 0.44 C ATOM 20 O VAL A 2 -0.527 -7.835 -10.139 1.00 0.45 O ATOM 21 CB VAL A 2 -0.977 -6.717 -12.743 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.560 -5.447 -12.144 1.00 1.49 C ATOM 23 CG2 VAL A 2 -0.932 -6.625 -14.261 1.00 1.42 C ATOM 0 H VAL A 2 0.346 -8.821 -13.197 1.00 0.54 H new ATOM 0 HA VAL A 2 1.081 -6.151 -12.423 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.625 -7.550 -12.469 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.553 -5.272 -12.557 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.631 -5.555 -11.062 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -0.914 -4.602 -12.383 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -1.934 -6.431 -14.644 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.267 -5.813 -14.557 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.562 -7.564 -14.672 1.00 1.42 H new ATOM 33 N ALA A 3 1.247 -6.467 -9.955 1.00 0.43 N ATOM 34 CA ALA A 3 1.271 -6.522 -8.500 1.00 0.40 C ATOM 35 C ALA A 3 0.465 -5.381 -7.894 1.00 0.33 C ATOM 36 O ALA A 3 0.602 -4.227 -8.302 1.00 0.37 O ATOM 37 CB ALA A 3 2.704 -6.481 -7.994 1.00 0.48 C ATOM 0 H ALA A 3 1.974 -5.882 -10.368 1.00 0.43 H new ATOM 0 HA ALA A 3 0.813 -7.461 -8.190 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.707 -6.523 -6.905 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.255 -7.334 -8.391 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.180 -5.557 -8.323 1.00 0.48 H new ATOM 43 N TYR A 4 -0.375 -5.708 -6.918 1.00 0.38 N ATOM 44 CA TYR A 4 -1.196 -4.699 -6.263 1.00 0.48 C ATOM 45 C TYR A 4 -0.599 -4.327 -4.913 1.00 0.46 C ATOM 46 O TYR A 4 -0.579 -5.135 -3.988 1.00 0.72 O ATOM 47 CB TYR A 4 -2.633 -5.198 -6.128 1.00 0.79 C ATOM 48 CG TYR A 4 -3.274 -5.480 -7.470 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.885 -6.573 -8.232 1.00 3.01 C ATOM 50 CD2 TYR A 4 -4.282 -4.662 -7.968 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.478 -6.844 -9.451 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.879 -4.925 -9.186 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.431 -5.981 -9.952 1.00 4.50 C ATOM 54 OH TYR A 4 -5.069 -6.282 -11.135 1.00 5.73 O ATOM 0 H TYR A 4 -0.504 -6.656 -6.566 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.213 -3.797 -6.875 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.644 -6.106 -5.525 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.225 -4.454 -5.595 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.105 -7.224 -7.866 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -4.604 -3.806 -7.393 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -3.197 -7.726 -10.008 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -5.692 -4.307 -9.537 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.712 -5.574 -11.349 1.00 5.73 H new ATOM 64 N ILE A 5 -0.077 -3.102 -4.835 1.00 0.40 N ATOM 65 CA ILE A 5 0.577 -2.596 -3.628 1.00 0.45 C ATOM 66 C ILE A 5 -0.063 -1.310 -3.108 1.00 0.44 C ATOM 67 O ILE A 5 -0.219 -0.338 -3.847 1.00 0.57 O ATOM 68 CB ILE A 5 2.068 -2.311 -3.912 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.332 -2.381 -5.418 1.00 0.52 C ATOM 70 CG2 ILE A 5 2.962 -3.282 -3.158 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.773 -2.130 -5.799 1.00 0.79 C ATOM 0 H ILE A 5 -0.096 -2.434 -5.606 1.00 0.40 H new ATOM 0 HA ILE A 5 0.464 -3.369 -2.868 1.00 0.45 H new ATOM 0 HB ILE A 5 2.305 -1.307 -3.561 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.036 -3.364 -5.784 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.700 -1.650 -5.922 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.006 -3.059 -3.376 1.00 0.93 H new ATOM 0 HG22 ILE A 5 2.785 -3.183 -2.087 1.00 0.93 H new ATOM 0 HG23 ILE A 5 2.736 -4.302 -3.470 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.880 -2.197 -6.882 1.00 0.79 H new ATOM 0 HD12 ILE A 5 4.070 -1.136 -5.465 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.410 -2.877 -5.325 1.00 0.79 H new ATOM 83 N ALA A 6 -0.408 -1.301 -1.823 1.00 0.48 N ATOM 84 CA ALA A 6 -1.004 -0.123 -1.201 1.00 0.51 C ATOM 85 C ALA A 6 0.066 0.714 -0.506 1.00 0.46 C ATOM 86 O ALA A 6 1.104 0.193 -0.096 1.00 0.58 O ATOM 87 CB ALA A 6 -2.086 -0.530 -0.214 1.00 0.71 C ATOM 0 H ALA A 6 -0.285 -2.094 -1.194 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.462 0.483 -1.982 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -2.519 0.362 0.240 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -2.865 -1.086 -0.736 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -1.652 -1.158 0.564 1.00 0.71 H new ATOM 93 N ILE A 7 -0.187 2.019 -0.384 1.00 0.44 N ATOM 94 CA ILE A 7 0.770 2.919 0.255 1.00 0.43 C ATOM 95 C ILE A 7 0.104 3.831 1.287 1.00 0.49 C ATOM 96 O ILE A 7 -0.813 4.582 0.964 1.00 0.58 O ATOM 97 CB ILE A 7 1.510 3.781 -0.790 1.00 0.47 C ATOM 98 CG1 ILE A 7 0.515 4.561 -1.657 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.401 2.904 -1.659 1.00 1.41 C ATOM 100 CD1 ILE A 7 1.178 5.432 -2.708 1.00 1.42 C ATOM 0 H ILE A 7 -1.039 2.471 -0.716 1.00 0.44 H new ATOM 0 HA ILE A 7 1.490 2.285 0.773 1.00 0.43 H new ATOM 0 HB ILE A 7 2.135 4.501 -0.262 1.00 0.47 H new ATOM 0 HG12 ILE A 7 -0.154 3.856 -2.151 1.00 1.19 H new ATOM 0 HG13 ILE A 7 -0.101 5.188 -1.013 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.918 3.524 -2.392 1.00 1.41 H new ATOM 0 HG22 ILE A 7 3.134 2.396 -1.032 1.00 1.41 H new ATOM 0 HG23 ILE A 7 1.790 2.164 -2.176 1.00 1.41 H new ATOM 0 HD11 ILE A 7 0.413 5.954 -3.283 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.826 6.161 -2.221 1.00 1.42 H new ATOM 0 HD13 ILE A 7 1.772 4.808 -3.376 1.00 1.42 H new ATOM 112 N GLY A 8 0.588 3.755 2.534 1.00 0.57 N ATOM 113 CA GLY A 8 0.048 4.575 3.615 1.00 0.69 C ATOM 114 C GLY A 8 0.967 5.731 3.977 1.00 0.68 C ATOM 115 O GLY A 8 2.184 5.550 4.091 1.00 0.77 O ATOM 0 H GLY A 8 1.349 3.136 2.814 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.925 4.966 3.320 1.00 0.69 H new ATOM 0 HA3 GLY A 8 -0.113 3.952 4.495 1.00 0.69 H new ATOM 119 N SER A 9 0.390 6.929 4.124 1.00 0.70 N ATOM 120 CA SER A 9 1.171 8.128 4.439 1.00 0.75 C ATOM 121 C SER A 9 0.354 9.212 5.165 1.00 0.87 C ATOM 122 O SER A 9 -0.856 9.064 5.413 1.00 0.92 O ATOM 123 CB SER A 9 1.763 8.713 3.155 1.00 0.76 C ATOM 124 OG SER A 9 2.600 7.773 2.504 1.00 1.67 O ATOM 0 H SER A 9 -0.612 7.093 4.030 1.00 0.70 H new ATOM 0 HA SER A 9 1.962 7.814 5.120 1.00 0.75 H new ATOM 0 HB2 SER A 9 0.958 9.014 2.484 1.00 0.76 H new ATOM 0 HB3 SER A 9 2.334 9.611 3.391 1.00 0.76 H new ATOM 0 HG SER A 9 2.964 8.171 1.686 1.00 1.67 H new ATOM 130 N ASN A 10 1.052 10.310 5.481 1.00 1.03 N ATOM 131 CA ASN A 10 0.466 11.481 6.137 1.00 1.23 C ATOM 132 C ASN A 10 1.529 12.571 6.310 1.00 1.30 C ATOM 133 O ASN A 10 2.131 13.006 5.328 1.00 2.00 O ATOM 134 CB ASN A 10 -0.164 11.133 7.483 1.00 1.55 C ATOM 135 CG ASN A 10 -0.950 12.303 8.065 1.00 2.18 C ATOM 136 OD1 ASN A 10 -1.366 12.270 9.220 1.00 2.66 O ATOM 137 ND2 ASN A 10 -1.165 13.341 7.263 1.00 3.02 N ATOM 0 H ASN A 10 2.048 10.409 5.286 1.00 1.03 H new ATOM 0 HA ASN A 10 -0.333 11.852 5.495 1.00 1.23 H new ATOM 0 HB2 ASN A 10 -0.826 10.276 7.363 1.00 1.55 H new ATOM 0 HB3 ASN A 10 0.617 10.837 8.183 1.00 1.55 H new ATOM 0 HD21 ASN A 10 -1.691 14.146 7.601 1.00 3.02 H new ATOM 0 HD22 ASN A 10 -0.803 13.332 6.309 1.00 3.02 H new ATOM 144 N LEU A 11 1.761 13.011 7.552 1.00 1.21 N ATOM 145 CA LEU A 11 2.757 14.049 7.829 1.00 1.31 C ATOM 146 C LEU A 11 2.317 15.390 7.237 1.00 1.49 C ATOM 147 O LEU A 11 1.577 15.427 6.254 1.00 1.96 O ATOM 148 CB LEU A 11 4.132 13.618 7.284 1.00 1.36 C ATOM 149 CG LEU A 11 5.328 14.522 7.622 1.00 1.66 C ATOM 150 CD1 LEU A 11 5.379 15.732 6.704 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.280 14.961 9.080 1.00 2.45 C ATOM 0 H LEU A 11 1.273 12.665 8.378 1.00 1.21 H new ATOM 0 HA LEU A 11 2.844 14.179 8.908 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.347 12.617 7.658 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.059 13.544 6.199 1.00 1.36 H new ATOM 0 HG LEU A 11 6.237 13.941 7.466 1.00 1.66 H new ATOM 0 HD11 LEU A 11 6.235 16.353 6.967 1.00 2.11 H new ATOM 0 HD12 LEU A 11 5.475 15.401 5.670 1.00 2.11 H new ATOM 0 HD13 LEU A 11 4.463 16.312 6.815 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.136 15.600 9.296 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.359 15.514 9.263 1.00 2.45 H new ATOM 0 HD23 LEU A 11 5.310 14.083 9.725 1.00 2.45 H new ATOM 163 N ALA A 12 2.767 16.486 7.854 1.00 1.57 N ATOM 164 CA ALA A 12 2.420 17.839 7.408 1.00 1.79 C ATOM 165 C ALA A 12 2.310 17.928 5.887 1.00 1.71 C ATOM 166 O ALA A 12 1.238 18.212 5.351 1.00 2.29 O ATOM 167 CB ALA A 12 3.444 18.839 7.921 1.00 2.08 C ATOM 0 H ALA A 12 3.378 16.462 8.671 1.00 1.57 H new ATOM 0 HA ALA A 12 1.441 18.081 7.822 1.00 1.79 H new ATOM 0 HB1 ALA A 12 3.176 19.840 7.583 1.00 2.08 H new ATOM 0 HB2 ALA A 12 3.461 18.816 9.011 1.00 2.08 H new ATOM 0 HB3 ALA A 12 4.430 18.579 7.537 1.00 2.08 H new ATOM 173 N SER A 13 3.422 17.678 5.200 1.00 1.54 N ATOM 174 CA SER A 13 3.450 17.720 3.741 1.00 1.42 C ATOM 175 C SER A 13 3.621 16.311 3.172 1.00 1.10 C ATOM 176 O SER A 13 4.740 15.867 2.916 1.00 1.17 O ATOM 177 CB SER A 13 4.583 18.626 3.253 1.00 1.72 C ATOM 178 OG SER A 13 5.838 18.185 3.741 1.00 2.45 O ATOM 0 H SER A 13 4.316 17.444 5.631 1.00 1.54 H new ATOM 0 HA SER A 13 2.502 18.128 3.390 1.00 1.42 H new ATOM 0 HB2 SER A 13 4.598 18.639 2.163 1.00 1.72 H new ATOM 0 HB3 SER A 13 4.401 19.649 3.582 1.00 1.72 H new ATOM 0 HG SER A 13 5.909 17.214 3.631 1.00 2.45 H new ATOM 184 N PRO A 14 2.507 15.581 2.986 1.00 0.96 N ATOM 185 CA PRO A 14 2.531 14.209 2.468 1.00 0.92 C ATOM 186 C PRO A 14 2.943 14.128 1.003 1.00 0.86 C ATOM 187 O PRO A 14 3.345 13.068 0.525 1.00 0.90 O ATOM 188 CB PRO A 14 1.083 13.727 2.627 1.00 1.18 C ATOM 189 CG PRO A 14 0.418 14.727 3.513 1.00 1.23 C ATOM 190 CD PRO A 14 1.137 16.021 3.280 1.00 1.14 C ATOM 0 HA PRO A 14 3.264 13.606 3.004 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.582 13.666 1.661 1.00 1.18 H new ATOM 0 HB3 PRO A 14 1.048 12.730 3.067 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.641 14.819 3.272 1.00 1.23 H new ATOM 0 HG3 PRO A 14 0.482 14.427 4.559 1.00 1.23 H new ATOM 0 HD2 PRO A 14 0.705 16.581 2.451 1.00 1.14 H new ATOM 0 HD3 PRO A 14 1.099 16.669 4.156 1.00 1.14 H new ATOM 198 N LEU A 15 2.833 15.245 0.289 1.00 0.89 N ATOM 199 CA LEU A 15 3.185 15.279 -1.126 1.00 0.90 C ATOM 200 C LEU A 15 4.589 14.738 -1.364 1.00 0.84 C ATOM 201 O LEU A 15 4.861 14.156 -2.409 1.00 0.84 O ATOM 202 CB LEU A 15 3.089 16.701 -1.679 1.00 1.07 C ATOM 203 CG LEU A 15 3.361 16.824 -3.182 1.00 1.33 C ATOM 204 CD1 LEU A 15 2.265 16.135 -3.981 1.00 1.67 C ATOM 205 CD2 LEU A 15 3.482 18.286 -3.583 1.00 1.72 C ATOM 0 H LEU A 15 2.504 16.134 0.665 1.00 0.89 H new ATOM 0 HA LEU A 15 2.472 14.642 -1.648 1.00 0.90 H new ATOM 0 HB2 LEU A 15 2.092 17.090 -1.471 1.00 1.07 H new ATOM 0 HB3 LEU A 15 3.797 17.333 -1.143 1.00 1.07 H new ATOM 0 HG LEU A 15 4.307 16.329 -3.404 1.00 1.33 H new ATOM 0 HD11 LEU A 15 2.475 16.233 -5.046 1.00 1.67 H new ATOM 0 HD12 LEU A 15 2.229 15.079 -3.714 1.00 1.67 H new ATOM 0 HD13 LEU A 15 1.305 16.599 -3.757 1.00 1.67 H new ATOM 0 HD21 LEU A 15 3.675 18.355 -4.654 1.00 1.72 H new ATOM 0 HD22 LEU A 15 2.553 18.806 -3.348 1.00 1.72 H new ATOM 0 HD23 LEU A 15 4.304 18.747 -3.036 1.00 1.72 H new ATOM 217 N GLU A 16 5.478 14.938 -0.397 1.00 0.86 N ATOM 218 CA GLU A 16 6.857 14.472 -0.518 1.00 0.88 C ATOM 219 C GLU A 16 6.975 12.990 -0.166 1.00 0.76 C ATOM 220 O GLU A 16 7.641 12.231 -0.870 1.00 0.75 O ATOM 221 CB GLU A 16 7.777 15.296 0.387 1.00 1.05 C ATOM 222 CG GLU A 16 7.781 16.781 0.058 1.00 1.40 C ATOM 223 CD GLU A 16 8.698 17.575 0.967 1.00 1.82 C ATOM 224 OE1 GLU A 16 9.913 17.288 0.985 1.00 2.49 O ATOM 225 OE2 GLU A 16 8.201 18.486 1.661 1.00 2.16 O ATOM 0 H GLU A 16 5.270 15.419 0.478 1.00 0.86 H new ATOM 0 HA GLU A 16 7.162 14.602 -1.556 1.00 0.88 H new ATOM 0 HB2 GLU A 16 7.468 15.163 1.424 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.794 14.911 0.305 1.00 1.05 H new ATOM 0 HG2 GLU A 16 8.092 16.920 -0.977 1.00 1.40 H new ATOM 0 HG3 GLU A 16 6.766 17.171 0.141 1.00 1.40 H new ATOM 232 N GLN A 17 6.331 12.584 0.925 1.00 0.73 N ATOM 233 CA GLN A 17 6.372 11.193 1.362 1.00 0.71 C ATOM 234 C GLN A 17 5.829 10.274 0.277 1.00 0.57 C ATOM 235 O GLN A 17 6.539 9.405 -0.232 1.00 0.51 O ATOM 236 CB GLN A 17 5.576 11.021 2.656 1.00 0.86 C ATOM 237 CG GLN A 17 6.008 11.983 3.750 1.00 1.20 C ATOM 238 CD GLN A 17 7.477 11.850 4.116 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.101 10.742 3.719 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 8.045 12.728 4.762 1.00 1.36 N flip ATOM 0 H GLN A 17 5.776 13.198 1.521 1.00 0.73 H new ATOM 0 HA GLN A 17 7.410 10.921 1.552 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.517 11.169 2.447 1.00 0.86 H new ATOM 0 HB3 GLN A 17 5.690 9.998 3.013 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.812 13.005 3.425 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.401 11.809 4.639 1.00 1.20 H new ATOM 0 HE21 GLN A 17 7.533 13.563 5.048 1.00 1.36 H new ATOM 0 HE22 GLN A 17 9.028 12.622 5.012 1.00 1.36 H new ATOM 249 N VAL A 18 4.570 10.478 -0.090 1.00 0.57 N ATOM 250 CA VAL A 18 3.953 9.676 -1.135 1.00 0.53 C ATOM 251 C VAL A 18 4.826 9.714 -2.388 1.00 0.49 C ATOM 252 O VAL A 18 5.109 8.681 -2.992 1.00 0.51 O ATOM 253 CB VAL A 18 2.525 10.165 -1.470 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.537 11.601 -1.970 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.870 9.245 -2.490 1.00 1.25 C ATOM 0 H VAL A 18 3.961 11.187 0.318 1.00 0.57 H new ATOM 0 HA VAL A 18 3.870 8.652 -0.770 1.00 0.53 H new ATOM 0 HB VAL A 18 1.937 10.137 -0.552 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.518 11.916 -2.197 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.955 12.251 -1.201 1.00 1.10 H new ATOM 0 HG13 VAL A 18 3.147 11.667 -2.871 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.866 9.605 -2.713 1.00 1.25 H new ATOM 0 HG22 VAL A 18 2.463 9.235 -3.404 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.811 8.235 -2.084 1.00 1.25 H new ATOM 265 N ASN A 19 5.272 10.918 -2.747 1.00 0.52 N ATOM 266 CA ASN A 19 6.138 11.119 -3.901 1.00 0.57 C ATOM 267 C ASN A 19 7.351 10.201 -3.814 1.00 0.50 C ATOM 268 O ASN A 19 7.842 9.707 -4.828 1.00 0.52 O ATOM 269 CB ASN A 19 6.602 12.579 -3.953 1.00 0.72 C ATOM 270 CG ASN A 19 7.330 12.931 -5.235 1.00 1.26 C ATOM 271 OD1 ASN A 19 7.124 12.136 -6.274 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 8.044 13.932 -5.301 1.00 1.71 N flip ATOM 0 H ASN A 19 5.042 11.776 -2.246 1.00 0.52 H new ATOM 0 HA ASN A 19 5.578 10.884 -4.806 1.00 0.57 H new ATOM 0 HB2 ASN A 19 5.736 13.232 -3.844 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.258 12.775 -3.105 1.00 0.72 H new ATOM 0 HD21 ASN A 19 8.177 14.519 -4.477 1.00 1.71 H new ATOM 0 HD22 ASN A 19 8.502 14.175 -6.179 1.00 1.71 H new ATOM 279 N ALA A 20 7.825 9.977 -2.589 1.00 0.49 N ATOM 280 CA ALA A 20 8.975 9.114 -2.359 1.00 0.49 C ATOM 281 C ALA A 20 8.711 7.720 -2.905 1.00 0.42 C ATOM 282 O ALA A 20 9.572 7.122 -3.548 1.00 0.48 O ATOM 283 CB ALA A 20 9.311 9.051 -0.878 1.00 0.57 C ATOM 0 H ALA A 20 7.428 10.383 -1.742 1.00 0.49 H new ATOM 0 HA ALA A 20 9.831 9.536 -2.886 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.173 8.401 -0.728 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.544 10.052 -0.515 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.458 8.655 -0.328 1.00 0.57 H new ATOM 289 N ALA A 21 7.505 7.213 -2.669 1.00 0.41 N ATOM 290 CA ALA A 21 7.141 5.899 -3.173 1.00 0.45 C ATOM 291 C ALA A 21 6.992 5.982 -4.679 1.00 0.36 C ATOM 292 O ALA A 21 7.427 5.103 -5.417 1.00 0.40 O ATOM 293 CB ALA A 21 5.845 5.404 -2.549 1.00 0.64 C ATOM 0 H ALA A 21 6.774 7.687 -2.139 1.00 0.41 H new ATOM 0 HA ALA A 21 7.925 5.190 -2.908 1.00 0.45 H new ATOM 0 HB1 ALA A 21 5.602 4.419 -2.948 1.00 0.64 H new ATOM 0 HB2 ALA A 21 5.964 5.338 -1.467 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.039 6.099 -2.784 1.00 0.64 H new ATOM 299 N LEU A 22 6.387 7.077 -5.120 1.00 0.40 N ATOM 300 CA LEU A 22 6.185 7.332 -6.534 1.00 0.47 C ATOM 301 C LEU A 22 7.530 7.489 -7.231 1.00 0.44 C ATOM 302 O LEU A 22 7.626 7.401 -8.456 1.00 0.53 O ATOM 303 CB LEU A 22 5.331 8.591 -6.715 1.00 0.64 C ATOM 304 CG LEU A 22 3.820 8.371 -6.603 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.437 7.917 -5.204 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.068 9.638 -6.983 1.00 1.73 C ATOM 0 H LEU A 22 6.025 7.808 -4.508 1.00 0.40 H new ATOM 0 HA LEU A 22 5.661 6.488 -6.983 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.632 9.326 -5.969 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.549 9.022 -7.692 1.00 0.64 H new ATOM 0 HG LEU A 22 3.539 7.581 -7.300 1.00 1.16 H new ATOM 0 HD11 LEU A 22 2.358 7.768 -5.152 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.944 6.980 -4.974 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.733 8.677 -4.481 1.00 1.74 H new ATOM 0 HD21 LEU A 22 1.995 9.464 -6.898 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.358 10.448 -6.314 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.311 9.911 -8.010 1.00 1.73 H new ATOM 318 N LYS A 23 8.567 7.707 -6.430 1.00 0.43 N ATOM 319 CA LYS A 23 9.922 7.865 -6.936 1.00 0.52 C ATOM 320 C LYS A 23 10.536 6.503 -7.246 1.00 0.47 C ATOM 321 O LYS A 23 11.120 6.301 -8.311 1.00 0.56 O ATOM 322 CB LYS A 23 10.772 8.609 -5.903 1.00 0.61 C ATOM 323 CG LYS A 23 12.198 8.882 -6.346 1.00 1.13 C ATOM 324 CD LYS A 23 12.968 9.641 -5.279 1.00 1.51 C ATOM 325 CE LYS A 23 14.394 9.933 -5.715 1.00 2.12 C ATOM 326 NZ LYS A 23 15.139 10.724 -4.695 1.00 2.74 N ATOM 0 H LYS A 23 8.491 7.779 -5.415 1.00 0.43 H new ATOM 0 HA LYS A 23 9.892 8.445 -7.858 1.00 0.52 H new ATOM 0 HB2 LYS A 23 10.289 9.558 -5.668 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.795 8.027 -4.982 1.00 0.61 H new ATOM 0 HG2 LYS A 23 12.702 7.940 -6.561 1.00 1.13 H new ATOM 0 HG3 LYS A 23 12.190 9.458 -7.272 1.00 1.13 H new ATOM 0 HD2 LYS A 23 12.456 10.578 -5.058 1.00 1.51 H new ATOM 0 HD3 LYS A 23 12.981 9.060 -4.357 1.00 1.51 H new ATOM 0 HE2 LYS A 23 14.917 8.994 -5.898 1.00 2.12 H new ATOM 0 HE3 LYS A 23 14.380 10.479 -6.658 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 16.107 10.901 -5.032 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 14.655 11.631 -4.538 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 15.175 10.192 -3.802 1.00 2.74 H new ATOM 340 N ALA A 24 10.382 5.567 -6.313 1.00 0.40 N ATOM 341 CA ALA A 24 10.903 4.216 -6.484 1.00 0.43 C ATOM 342 C ALA A 24 9.928 3.367 -7.284 1.00 0.38 C ATOM 343 O ALA A 24 10.271 2.832 -8.338 1.00 0.46 O ATOM 344 CB ALA A 24 11.164 3.580 -5.129 1.00 0.51 C ATOM 0 H ALA A 24 9.899 5.721 -5.428 1.00 0.40 H new ATOM 0 HA ALA A 24 11.843 4.273 -7.033 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.553 2.571 -5.269 1.00 0.51 H new ATOM 0 HB2 ALA A 24 11.893 4.177 -4.581 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.234 3.535 -4.563 1.00 0.51 H new ATOM 350 N LEU A 25 8.704 3.260 -6.777 1.00 0.43 N ATOM 351 CA LEU A 25 7.664 2.490 -7.440 1.00 0.40 C ATOM 352 C LEU A 25 7.475 2.994 -8.864 1.00 0.37 C ATOM 353 O LEU A 25 7.276 2.209 -9.790 1.00 0.45 O ATOM 354 CB LEU A 25 6.349 2.595 -6.666 1.00 0.47 C ATOM 355 CG LEU A 25 5.276 1.581 -7.058 1.00 0.56 C ATOM 356 CD1 LEU A 25 5.794 0.166 -6.871 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.023 1.802 -6.229 1.00 1.04 C ATOM 0 H LEU A 25 8.410 3.700 -5.905 1.00 0.43 H new ATOM 0 HA LEU A 25 7.967 1.443 -7.470 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.562 2.480 -5.603 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.945 3.598 -6.804 1.00 0.47 H new ATOM 0 HG LEU A 25 5.028 1.720 -8.110 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.019 -0.546 -7.154 1.00 0.96 H new ATOM 0 HD12 LEU A 25 6.672 0.014 -7.498 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.063 0.012 -5.826 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.264 1.074 -6.516 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.260 1.682 -5.172 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.644 2.809 -6.403 1.00 1.04 H new ATOM 369 N GLY A 26 7.556 4.314 -9.033 1.00 0.43 N ATOM 370 CA GLY A 26 7.409 4.902 -10.348 1.00 0.53 C ATOM 371 C GLY A 26 8.366 4.283 -11.344 1.00 0.56 C ATOM 372 O GLY A 26 7.971 3.902 -12.445 1.00 0.82 O ATOM 0 H GLY A 26 7.721 4.983 -8.281 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.384 4.768 -10.695 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.588 5.976 -10.289 1.00 0.53 H new ATOM 376 N ASP A 27 9.629 4.166 -10.943 1.00 0.59 N ATOM 377 CA ASP A 27 10.643 3.568 -11.798 1.00 0.76 C ATOM 378 C ASP A 27 11.429 2.504 -11.038 1.00 0.56 C ATOM 379 O ASP A 27 12.322 2.815 -10.249 1.00 0.81 O ATOM 380 CB ASP A 27 11.593 4.642 -12.324 1.00 1.35 C ATOM 381 CG ASP A 27 12.654 4.075 -13.248 1.00 2.02 C ATOM 382 OD1 ASP A 27 12.284 3.479 -14.282 1.00 2.42 O ATOM 383 OD2 ASP A 27 13.854 4.228 -12.938 1.00 2.61 O ATOM 0 H ASP A 27 9.971 4.477 -10.034 1.00 0.59 H new ATOM 0 HA ASP A 27 10.142 3.094 -12.642 1.00 0.76 H new ATOM 0 HB2 ASP A 27 11.020 5.401 -12.856 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.076 5.139 -11.483 1.00 1.35 H new ATOM 388 N ILE A 28 11.086 1.249 -11.294 1.00 0.51 N ATOM 389 CA ILE A 28 11.745 0.115 -10.658 1.00 0.51 C ATOM 390 C ILE A 28 12.537 -0.672 -11.699 1.00 0.49 C ATOM 391 O ILE A 28 12.121 -0.744 -12.856 1.00 0.48 O ATOM 392 CB ILE A 28 10.709 -0.817 -9.996 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.635 0.011 -9.285 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.371 -1.771 -9.013 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.618 -0.821 -8.537 1.00 1.26 C ATOM 0 H ILE A 28 10.346 0.988 -11.946 1.00 0.51 H new ATOM 0 HA ILE A 28 12.419 0.496 -9.890 1.00 0.51 H new ATOM 0 HB ILE A 28 10.243 -1.413 -10.780 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.119 0.692 -8.585 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.117 0.626 -10.021 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.614 -2.414 -8.564 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.103 -2.385 -9.538 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.871 -1.199 -8.232 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.891 -0.164 -8.060 1.00 1.26 H new ATOM 0 HD12 ILE A 28 8.106 -1.483 -9.235 1.00 1.26 H new ATOM 0 HD13 ILE A 28 9.123 -1.416 -7.776 1.00 1.26 H new ATOM 407 N PRO A 29 13.682 -1.275 -11.314 1.00 0.68 N ATOM 408 CA PRO A 29 14.524 -2.064 -12.202 1.00 0.83 C ATOM 409 C PRO A 29 13.800 -2.617 -13.434 1.00 0.70 C ATOM 410 O PRO A 29 14.285 -2.473 -14.557 1.00 0.88 O ATOM 411 CB PRO A 29 14.951 -3.191 -11.271 1.00 1.07 C ATOM 412 CG PRO A 29 15.050 -2.557 -9.913 1.00 1.14 C ATOM 413 CD PRO A 29 14.275 -1.256 -9.967 1.00 0.87 C ATOM 0 HA PRO A 29 15.332 -1.478 -12.640 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.224 -4.003 -11.275 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.906 -3.616 -11.579 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.640 -3.218 -9.149 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.092 -2.373 -9.649 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.511 -1.210 -9.191 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.926 -0.393 -9.825 1.00 0.87 H new ATOM 421 N GLU A 30 12.645 -3.249 -13.225 1.00 0.54 N ATOM 422 CA GLU A 30 11.881 -3.814 -14.337 1.00 0.58 C ATOM 423 C GLU A 30 10.378 -3.604 -14.159 1.00 0.60 C ATOM 424 O GLU A 30 9.586 -4.006 -15.013 1.00 1.01 O ATOM 425 CB GLU A 30 12.173 -5.311 -14.473 1.00 0.62 C ATOM 426 CG GLU A 30 13.648 -5.636 -14.634 1.00 0.63 C ATOM 427 CD GLU A 30 13.904 -7.123 -14.790 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.380 -7.716 -15.757 1.00 1.66 O ATOM 429 OE2 GLU A 30 14.625 -7.694 -13.946 1.00 2.35 O ATOM 0 H GLU A 30 12.222 -3.382 -12.307 1.00 0.54 H new ATOM 0 HA GLU A 30 12.192 -3.292 -15.242 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.791 -5.828 -13.593 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.629 -5.701 -15.333 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.039 -5.110 -15.505 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.195 -5.266 -13.767 1.00 0.63 H new ATOM 436 N SER A 31 9.986 -2.992 -13.047 1.00 0.36 N ATOM 437 CA SER A 31 8.573 -2.753 -12.765 1.00 0.34 C ATOM 438 C SER A 31 8.123 -1.382 -13.267 1.00 0.36 C ATOM 439 O SER A 31 8.943 -0.563 -13.686 1.00 0.46 O ATOM 440 CB SER A 31 8.316 -2.862 -11.265 1.00 0.37 C ATOM 441 OG SER A 31 8.803 -4.089 -10.754 1.00 0.83 O ATOM 0 H SER A 31 10.624 -2.653 -12.327 1.00 0.36 H new ATOM 0 HA SER A 31 7.995 -3.511 -13.293 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.798 -2.032 -10.749 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.247 -2.781 -11.069 1.00 0.37 H new ATOM 0 HG SER A 31 8.910 -4.019 -9.782 1.00 0.83 H new ATOM 447 N HIS A 32 6.812 -1.139 -13.218 1.00 0.33 N ATOM 448 CA HIS A 32 6.248 0.135 -13.663 1.00 0.39 C ATOM 449 C HIS A 32 4.781 0.260 -13.258 1.00 0.34 C ATOM 450 O HIS A 32 4.000 -0.680 -13.409 1.00 0.36 O ATOM 451 CB HIS A 32 6.387 0.283 -15.180 1.00 0.51 C ATOM 452 CG HIS A 32 5.772 -0.840 -15.954 1.00 0.94 C ATOM 453 ND1 HIS A 32 6.175 -2.153 -15.823 1.00 1.83 N ATOM 454 CD2 HIS A 32 4.780 -0.843 -16.876 1.00 1.60 C ATOM 455 CE1 HIS A 32 5.458 -2.914 -16.629 1.00 2.29 C ATOM 456 NE2 HIS A 32 4.605 -2.143 -17.279 1.00 2.07 N ATOM 0 H HIS A 32 6.122 -1.807 -12.875 1.00 0.33 H new ATOM 0 HA HIS A 32 6.807 0.934 -13.176 1.00 0.39 H new ATOM 0 HB2 HIS A 32 5.925 1.221 -15.488 1.00 0.51 H new ATOM 0 HB3 HIS A 32 7.445 0.351 -15.434 1.00 0.51 H new ATOM 0 HD2 HIS A 32 4.230 0.017 -17.228 1.00 1.60 H new ATOM 0 HE1 HIS A 32 5.553 -3.984 -16.738 1.00 2.29 H new ATOM 0 HE2 HIS A 32 3.926 -2.462 -17.969 1.00 2.07 H new ATOM 465 N ILE A 33 4.420 1.432 -12.740 1.00 0.36 N ATOM 466 CA ILE A 33 3.053 1.709 -12.303 1.00 0.36 C ATOM 467 C ILE A 33 2.029 1.336 -13.376 1.00 0.38 C ATOM 468 O ILE A 33 2.315 1.410 -14.571 1.00 0.50 O ATOM 469 CB ILE A 33 2.899 3.201 -11.939 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.670 3.512 -10.654 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.433 3.583 -11.794 1.00 0.93 C ATOM 472 CD1 ILE A 33 3.156 2.766 -9.441 1.00 1.05 C ATOM 0 H ILE A 33 5.063 2.213 -12.612 1.00 0.36 H new ATOM 0 HA ILE A 33 2.862 1.095 -11.423 1.00 0.36 H new ATOM 0 HB ILE A 33 3.317 3.796 -12.751 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.721 3.266 -10.803 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.618 4.583 -10.460 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.356 4.640 -11.537 1.00 0.93 H new ATOM 0 HG22 ILE A 33 0.914 3.399 -12.735 1.00 0.93 H new ATOM 0 HG23 ILE A 33 0.977 2.984 -11.006 1.00 0.93 H new ATOM 0 HD11 ILE A 33 3.751 3.037 -8.568 1.00 1.05 H new ATOM 0 HD12 ILE A 33 2.113 3.031 -9.266 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.234 1.693 -9.614 1.00 1.05 H new ATOM 484 N LEU A 34 0.831 0.942 -12.940 1.00 0.38 N ATOM 485 CA LEU A 34 -0.233 0.564 -13.865 1.00 0.50 C ATOM 486 C LEU A 34 -1.557 1.232 -13.470 1.00 0.46 C ATOM 487 O LEU A 34 -2.279 1.739 -14.331 1.00 0.60 O ATOM 488 CB LEU A 34 -0.370 -0.969 -13.916 1.00 0.65 C ATOM 489 CG LEU A 34 -1.163 -1.541 -15.103 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.633 -1.163 -15.022 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.564 -1.072 -16.421 1.00 1.34 C ATOM 0 H LEU A 34 0.576 0.877 -11.954 1.00 0.38 H new ATOM 0 HA LEU A 34 0.026 0.915 -14.864 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.630 -1.402 -13.932 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.847 -1.301 -12.994 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.095 -2.628 -15.055 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.164 -1.583 -15.876 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -3.060 -1.557 -14.100 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.731 -0.077 -15.032 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -1.138 -1.487 -17.250 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.594 0.017 -16.467 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.470 -1.410 -16.491 1.00 1.34 H new ATOM 503 N THR A 35 -1.870 1.249 -12.170 1.00 0.46 N ATOM 504 CA THR A 35 -3.107 1.877 -11.692 1.00 0.43 C ATOM 505 C THR A 35 -2.895 2.550 -10.338 1.00 0.43 C ATOM 506 O THR A 35 -2.593 1.887 -9.349 1.00 0.52 O ATOM 507 CB THR A 35 -4.233 0.845 -11.569 1.00 0.49 C ATOM 508 OG1 THR A 35 -4.178 -0.089 -12.632 1.00 0.68 O ATOM 509 CG2 THR A 35 -5.610 1.471 -11.593 1.00 0.72 C ATOM 0 H THR A 35 -1.291 0.840 -11.437 1.00 0.46 H new ATOM 0 HA THR A 35 -3.389 2.632 -12.425 1.00 0.43 H new ATOM 0 HB THR A 35 -4.078 0.359 -10.606 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.904 -0.740 -12.534 1.00 0.68 H new ATOM 0 HG21 THR A 35 -6.366 0.691 -11.502 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.707 2.169 -10.761 1.00 0.72 H new ATOM 0 HG23 THR A 35 -5.751 2.005 -12.533 1.00 0.72 H new ATOM 517 N VAL A 36 -3.068 3.869 -10.293 1.00 0.40 N ATOM 518 CA VAL A 36 -2.899 4.617 -9.049 1.00 0.46 C ATOM 519 C VAL A 36 -3.981 5.675 -8.886 1.00 0.48 C ATOM 520 O VAL A 36 -4.077 6.607 -9.684 1.00 0.56 O ATOM 521 CB VAL A 36 -1.520 5.300 -8.977 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.404 6.142 -7.715 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.412 4.265 -9.032 1.00 1.45 C ATOM 0 H VAL A 36 -3.324 4.440 -11.099 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.979 3.890 -8.240 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.418 5.960 -9.838 1.00 0.58 H new ATOM 0 HG11 VAL A 36 -0.423 6.616 -7.683 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -2.178 6.910 -7.717 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.528 5.504 -6.840 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.555 4.765 -8.980 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -0.512 3.580 -8.190 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.482 3.706 -9.965 1.00 1.45 H new ATOM 533 N SER A 37 -4.791 5.529 -7.841 1.00 0.45 N ATOM 534 CA SER A 37 -5.861 6.477 -7.566 1.00 0.54 C ATOM 535 C SER A 37 -6.509 6.177 -6.223 1.00 0.57 C ATOM 536 O SER A 37 -5.994 5.377 -5.439 1.00 1.08 O ATOM 537 CB SER A 37 -6.915 6.426 -8.674 1.00 0.65 C ATOM 538 OG SER A 37 -7.510 5.143 -8.754 1.00 1.28 O ATOM 0 H SER A 37 -4.725 4.762 -7.172 1.00 0.45 H new ATOM 0 HA SER A 37 -5.430 7.478 -7.532 1.00 0.54 H new ATOM 0 HB2 SER A 37 -7.683 7.175 -8.484 1.00 0.65 H new ATOM 0 HB3 SER A 37 -6.455 6.677 -9.630 1.00 0.65 H new ATOM 0 HG SER A 37 -8.181 5.138 -9.468 1.00 1.28 H new ATOM 544 N SER A 38 -7.644 6.821 -5.966 1.00 0.59 N ATOM 545 CA SER A 38 -8.380 6.625 -4.725 1.00 0.59 C ATOM 546 C SER A 38 -7.583 7.131 -3.525 1.00 0.52 C ATOM 547 O SER A 38 -7.197 6.352 -2.655 1.00 0.63 O ATOM 548 CB SER A 38 -8.727 5.142 -4.546 1.00 0.78 C ATOM 549 OG SER A 38 -9.499 4.667 -5.634 1.00 1.68 O ATOM 0 H SER A 38 -8.075 7.487 -6.607 1.00 0.59 H new ATOM 0 HA SER A 38 -9.303 7.202 -4.783 1.00 0.59 H new ATOM 0 HB2 SER A 38 -7.811 4.558 -4.463 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.279 5.003 -3.616 1.00 0.78 H new ATOM 0 HG SER A 38 -10.362 4.340 -5.305 1.00 1.68 H new ATOM 555 N PHE A 39 -7.347 8.442 -3.477 1.00 0.44 N ATOM 556 CA PHE A 39 -6.605 9.040 -2.370 1.00 0.50 C ATOM 557 C PHE A 39 -7.511 9.181 -1.152 1.00 0.57 C ATOM 558 O PHE A 39 -8.077 10.244 -0.889 1.00 0.75 O ATOM 559 CB PHE A 39 -6.026 10.407 -2.750 1.00 0.59 C ATOM 560 CG PHE A 39 -5.089 10.376 -3.930 1.00 0.59 C ATOM 561 CD1 PHE A 39 -5.510 9.864 -5.147 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.789 10.852 -3.824 1.00 0.83 C ATOM 563 CE1 PHE A 39 -4.657 9.827 -6.233 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.933 10.818 -4.908 1.00 1.19 C ATOM 565 CZ PHE A 39 -3.348 10.335 -6.101 1.00 1.26 C ATOM 0 H PHE A 39 -7.657 9.105 -4.187 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.772 8.379 -2.132 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.848 11.088 -2.971 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.496 10.816 -1.890 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -6.518 9.489 -5.248 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.443 11.254 -2.883 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -4.989 9.413 -7.174 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.921 11.181 -4.801 1.00 1.19 H new ATOM 0 HZ PHE A 39 -2.680 10.338 -6.949 1.00 1.26 H new ATOM 575 N TYR A 40 -7.649 8.088 -0.423 1.00 0.65 N ATOM 576 CA TYR A 40 -8.486 8.046 0.765 1.00 0.81 C ATOM 577 C TYR A 40 -7.698 8.469 2.000 1.00 0.71 C ATOM 578 O TYR A 40 -6.473 8.567 1.962 1.00 0.71 O ATOM 579 CB TYR A 40 -9.028 6.629 0.959 1.00 1.01 C ATOM 580 CG TYR A 40 -7.939 5.602 1.163 1.00 1.49 C ATOM 581 CD1 TYR A 40 -7.114 5.213 0.118 1.00 1.73 C ATOM 582 CD2 TYR A 40 -7.751 5.000 2.401 1.00 2.39 C ATOM 583 CE1 TYR A 40 -6.134 4.256 0.304 1.00 2.61 C ATOM 584 CE2 TYR A 40 -6.775 4.048 2.593 1.00 3.35 C ATOM 585 CZ TYR A 40 -5.898 3.752 1.533 1.00 3.41 C ATOM 586 OH TYR A 40 -5.003 2.720 1.736 1.00 4.43 O ATOM 0 H TYR A 40 -7.185 7.205 -0.637 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.314 8.742 0.631 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.697 6.617 1.820 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.623 6.351 0.089 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.239 5.664 -0.855 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -8.383 5.284 3.229 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -5.554 3.910 -0.539 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -6.684 3.537 3.540 1.00 3.35 H new ATOM 0 HH TYR A 40 -5.469 1.957 2.136 1.00 4.43 H new ATOM 596 N ARG A 41 -8.411 8.708 3.090 1.00 0.70 N ATOM 597 CA ARG A 41 -7.782 9.107 4.344 1.00 0.67 C ATOM 598 C ARG A 41 -7.843 7.955 5.357 1.00 0.64 C ATOM 599 O ARG A 41 -8.868 7.288 5.478 1.00 0.70 O ATOM 600 CB ARG A 41 -8.462 10.366 4.891 1.00 0.79 C ATOM 601 CG ARG A 41 -7.556 11.592 4.889 1.00 0.95 C ATOM 602 CD ARG A 41 -7.232 12.062 3.481 1.00 1.52 C ATOM 603 NE ARG A 41 -6.215 13.112 3.477 1.00 2.11 N ATOM 604 CZ ARG A 41 -6.348 14.283 4.097 1.00 2.49 C ATOM 605 NH1 ARG A 41 -7.470 14.578 4.743 1.00 2.37 N ATOM 606 NH2 ARG A 41 -5.360 15.165 4.063 1.00 3.51 N ATOM 0 H ARG A 41 -9.427 8.633 3.134 1.00 0.70 H new ATOM 0 HA ARG A 41 -6.732 9.339 4.164 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.350 10.578 4.295 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -8.800 10.174 5.910 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.039 12.400 5.438 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -6.630 11.359 5.415 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -6.883 11.217 2.887 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -8.139 12.434 3.005 1.00 1.52 H new ATOM 0 HE ARG A 41 -5.349 12.937 2.967 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -8.237 13.906 4.767 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -7.565 15.477 5.216 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -4.499 14.947 3.562 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -5.461 16.062 4.538 1.00 3.51 H new ATOM 620 N THR A 42 -6.729 7.702 6.058 1.00 0.80 N ATOM 621 CA THR A 42 -6.674 6.595 7.025 1.00 0.97 C ATOM 622 C THR A 42 -5.753 6.873 8.222 1.00 1.03 C ATOM 623 O THR A 42 -4.618 7.327 8.060 1.00 1.12 O ATOM 624 CB THR A 42 -6.192 5.334 6.320 1.00 1.17 C ATOM 625 OG1 THR A 42 -7.128 4.925 5.343 1.00 1.44 O ATOM 626 CG2 THR A 42 -5.957 4.170 7.255 1.00 1.32 C ATOM 0 H THR A 42 -5.866 8.239 5.977 1.00 0.80 H new ATOM 0 HA THR A 42 -7.684 6.474 7.417 1.00 0.97 H new ATOM 0 HB THR A 42 -5.237 5.602 5.867 1.00 1.17 H new ATOM 0 HG1 THR A 42 -6.743 5.047 4.450 1.00 1.44 H new ATOM 0 HG21 THR A 42 -5.615 3.307 6.683 1.00 1.32 H new ATOM 0 HG22 THR A 42 -5.199 4.441 7.990 1.00 1.32 H new ATOM 0 HG23 THR A 42 -6.887 3.921 7.767 1.00 1.32 H new ATOM 634 N PRO A 43 -6.217 6.559 9.448 1.00 1.12 N ATOM 635 CA PRO A 43 -5.420 6.751 10.663 1.00 1.31 C ATOM 636 C PRO A 43 -4.217 5.819 10.714 1.00 1.50 C ATOM 637 O PRO A 43 -4.239 4.735 10.131 1.00 1.71 O ATOM 638 CB PRO A 43 -6.384 6.421 11.808 1.00 1.48 C ATOM 639 CG PRO A 43 -7.741 6.319 11.190 1.00 1.38 C ATOM 640 CD PRO A 43 -7.530 5.968 9.744 1.00 1.15 C ATOM 0 HA PRO A 43 -5.016 7.762 10.714 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -6.106 5.486 12.294 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -6.361 7.197 12.573 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -8.338 5.557 11.690 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -8.282 7.261 11.285 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -7.532 4.889 9.586 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -8.312 6.384 9.109 1.00 1.15 H new ATOM 648 N PRO A 44 -3.142 6.227 11.414 1.00 1.55 N ATOM 649 CA PRO A 44 -1.927 5.427 11.539 1.00 1.80 C ATOM 650 C PRO A 44 -2.228 3.995 11.971 1.00 2.15 C ATOM 651 O PRO A 44 -2.148 3.058 11.176 1.00 2.77 O ATOM 652 CB PRO A 44 -1.134 6.134 12.649 1.00 1.80 C ATOM 653 CG PRO A 44 -2.079 7.122 13.245 1.00 1.81 C ATOM 654 CD PRO A 44 -3.009 7.493 12.136 1.00 1.54 C ATOM 0 HA PRO A 44 -1.397 5.355 10.589 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -0.787 5.422 13.398 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -0.251 6.629 12.246 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -2.622 6.690 14.086 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -1.548 7.996 13.623 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -3.968 7.852 12.510 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -2.598 8.281 11.505 1.00 1.54 H new ATOM 662 N LEU A 45 -2.580 3.854 13.252 1.00 2.16 N ATOM 663 CA LEU A 45 -2.910 2.565 13.860 1.00 2.52 C ATOM 664 C LEU A 45 -1.945 1.460 13.435 1.00 2.69 C ATOM 665 O LEU A 45 -2.351 0.316 13.226 1.00 3.09 O ATOM 666 CB LEU A 45 -4.366 2.176 13.550 1.00 2.75 C ATOM 667 CG LEU A 45 -4.739 2.059 12.069 1.00 3.05 C ATOM 668 CD1 LEU A 45 -4.650 0.616 11.596 1.00 3.66 C ATOM 669 CD2 LEU A 45 -6.133 2.618 11.826 1.00 3.32 C ATOM 0 H LEU A 45 -2.644 4.639 13.900 1.00 2.16 H new ATOM 0 HA LEU A 45 -2.803 2.680 14.939 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -4.574 1.220 14.031 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -5.022 2.914 14.010 1.00 2.75 H new ATOM 0 HG LEU A 45 -4.025 2.646 11.492 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -4.920 0.562 10.541 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -3.631 0.252 11.729 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -5.335 -0.001 12.178 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -6.382 2.527 10.769 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -6.857 2.060 12.419 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -6.159 3.668 12.116 1.00 3.32 H new ATOM 681 N GLY A 46 -0.660 1.794 13.328 1.00 2.52 N ATOM 682 CA GLY A 46 0.320 0.794 12.945 1.00 2.73 C ATOM 683 C GLY A 46 1.676 1.391 12.633 1.00 2.68 C ATOM 684 O GLY A 46 2.645 1.133 13.348 1.00 2.81 O ATOM 0 H GLY A 46 -0.285 2.727 13.498 1.00 2.52 H new ATOM 0 HA2 GLY A 46 0.425 0.067 13.751 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -0.043 0.252 12.072 1.00 2.73 H new ATOM 688 N PRO A 47 1.776 2.192 11.561 1.00 2.59 N ATOM 689 CA PRO A 47 3.034 2.821 11.160 1.00 2.65 C ATOM 690 C PRO A 47 3.777 3.452 12.331 1.00 2.60 C ATOM 691 O PRO A 47 4.876 3.018 12.679 1.00 2.86 O ATOM 692 CB PRO A 47 2.587 3.889 10.162 1.00 2.59 C ATOM 693 CG PRO A 47 1.341 3.340 9.562 1.00 2.63 C ATOM 694 CD PRO A 47 0.669 2.546 10.649 1.00 2.54 C ATOM 0 HA PRO A 47 3.738 2.098 10.747 1.00 2.65 H new ATOM 0 HB2 PRO A 47 2.403 4.842 10.657 1.00 2.59 H new ATOM 0 HB3 PRO A 47 3.349 4.066 9.403 1.00 2.59 H new ATOM 0 HG2 PRO A 47 0.693 4.142 9.208 1.00 2.63 H new ATOM 0 HG3 PRO A 47 1.567 2.710 8.702 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -0.097 3.132 11.158 1.00 2.54 H new ATOM 0 HD3 PRO A 47 0.179 1.658 10.251 1.00 2.54 H new ATOM 702 N GLN A 48 3.191 4.484 12.937 1.00 2.39 N ATOM 703 CA GLN A 48 3.837 5.163 14.061 1.00 2.50 C ATOM 704 C GLN A 48 2.823 5.669 15.077 1.00 2.40 C ATOM 705 O GLN A 48 3.169 5.898 16.236 1.00 2.57 O ATOM 706 CB GLN A 48 4.645 6.358 13.565 1.00 2.56 C ATOM 707 CG GLN A 48 5.568 6.050 12.398 1.00 2.73 C ATOM 708 CD GLN A 48 4.829 5.994 11.076 1.00 2.73 C ATOM 709 OE1 GLN A 48 3.641 6.594 11.032 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 5.328 5.440 10.099 1.00 2.45 N flip ATOM 0 H GLN A 48 2.282 4.865 12.674 1.00 2.39 H new ATOM 0 HA GLN A 48 4.487 4.430 14.539 1.00 2.50 H new ATOM 0 HB2 GLN A 48 3.956 7.149 13.269 1.00 2.56 H new ATOM 0 HB3 GLN A 48 5.241 6.747 14.391 1.00 2.56 H new ATOM 0 HG2 GLN A 48 6.347 6.811 12.344 1.00 2.73 H new ATOM 0 HG3 GLN A 48 6.066 5.096 12.574 1.00 2.73 H new ATOM 0 HE21 GLN A 48 6.241 4.992 10.178 1.00 2.45 H new ATOM 0 HE22 GLN A 48 4.829 5.428 9.209 1.00 2.45 H new ATOM 719 N ASP A 49 1.591 5.892 14.614 1.00 2.45 N ATOM 720 CA ASP A 49 0.516 6.429 15.449 1.00 2.47 C ATOM 721 C ASP A 49 0.605 7.949 15.438 1.00 2.38 C ATOM 722 O ASP A 49 -0.109 8.643 16.161 1.00 2.57 O ATOM 723 CB ASP A 49 0.572 5.889 16.883 1.00 2.79 C ATOM 724 CG ASP A 49 -0.579 6.383 17.738 1.00 2.83 C ATOM 725 OD1 ASP A 49 -1.744 6.116 17.378 1.00 3.28 O ATOM 726 OD2 ASP A 49 -0.314 7.039 18.768 1.00 3.02 O ATOM 0 H ASP A 49 1.311 5.705 13.651 1.00 2.45 H new ATOM 0 HA ASP A 49 -0.440 6.107 15.037 1.00 2.47 H new ATOM 0 HB2 ASP A 49 0.559 4.799 16.858 1.00 2.79 H new ATOM 0 HB3 ASP A 49 1.515 6.186 17.343 1.00 2.79 H new ATOM 731 N GLN A 50 1.497 8.452 14.583 1.00 2.26 N ATOM 732 CA GLN A 50 1.712 9.883 14.425 1.00 2.39 C ATOM 733 C GLN A 50 0.841 10.444 13.297 1.00 2.01 C ATOM 734 O GLN A 50 0.199 11.480 13.472 1.00 2.19 O ATOM 735 CB GLN A 50 3.189 10.173 14.146 1.00 3.08 C ATOM 736 CG GLN A 50 4.128 9.552 15.167 1.00 3.45 C ATOM 737 CD GLN A 50 3.766 9.921 16.592 1.00 3.73 C ATOM 738 OE1 GLN A 50 3.793 11.094 16.968 1.00 4.34 O ATOM 739 NE2 GLN A 50 3.417 8.920 17.389 1.00 3.74 N ATOM 0 H GLN A 50 2.088 7.876 13.983 1.00 2.26 H new ATOM 0 HA GLN A 50 1.427 10.374 15.355 1.00 2.39 H new ATOM 0 HB2 GLN A 50 3.444 9.800 13.154 1.00 3.08 H new ATOM 0 HB3 GLN A 50 3.343 11.252 14.130 1.00 3.08 H new ATOM 0 HG2 GLN A 50 4.109 8.467 15.060 1.00 3.45 H new ATOM 0 HG3 GLN A 50 5.148 9.875 14.960 1.00 3.45 H new ATOM 0 HE21 GLN A 50 3.409 7.964 17.034 1.00 3.74 H new ATOM 0 HE22 GLN A 50 3.156 9.106 18.357 1.00 3.74 H new ATOM 748 N PRO A 51 0.782 9.763 12.123 1.00 1.98 N ATOM 749 CA PRO A 51 -0.046 10.215 10.998 1.00 2.00 C ATOM 750 C PRO A 51 -1.511 10.271 11.398 1.00 1.82 C ATOM 751 O PRO A 51 -1.825 10.211 12.587 1.00 2.47 O ATOM 752 CB PRO A 51 0.179 9.147 9.921 1.00 2.71 C ATOM 753 CG PRO A 51 0.689 7.963 10.653 1.00 2.89 C ATOM 754 CD PRO A 51 1.485 8.509 11.803 1.00 2.51 C ATOM 0 HA PRO A 51 0.216 11.217 10.659 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -0.747 8.916 9.395 1.00 2.71 H new ATOM 0 HB3 PRO A 51 0.895 9.486 9.172 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -0.131 7.338 11.006 1.00 2.89 H new ATOM 0 HG3 PRO A 51 1.309 7.341 10.008 1.00 2.89 H new ATOM 0 HD2 PRO A 51 1.494 7.823 12.650 1.00 2.51 H new ATOM 0 HD3 PRO A 51 2.524 8.687 11.527 1.00 2.51 H new ATOM 762 N ASP A 52 -2.421 10.384 10.436 1.00 1.32 N ATOM 763 CA ASP A 52 -3.821 10.439 10.789 1.00 1.52 C ATOM 764 C ASP A 52 -4.688 9.969 9.647 1.00 1.28 C ATOM 765 O ASP A 52 -5.725 9.348 9.870 1.00 2.07 O ATOM 766 CB ASP A 52 -4.207 11.866 11.184 1.00 2.12 C ATOM 767 CG ASP A 52 -5.616 11.959 11.741 1.00 2.77 C ATOM 768 OD1 ASP A 52 -6.284 10.910 11.857 1.00 3.33 O ATOM 769 OD2 ASP A 52 -6.051 13.084 12.068 1.00 3.26 O ATOM 0 H ASP A 52 -2.217 10.437 9.438 1.00 1.32 H new ATOM 0 HA ASP A 52 -3.983 9.774 11.637 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -3.502 12.236 11.928 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -4.122 12.515 10.313 1.00 2.12 H new ATOM 774 N TYR A 53 -4.269 10.275 8.423 1.00 0.84 N ATOM 775 CA TYR A 53 -5.026 9.879 7.251 1.00 1.19 C ATOM 776 C TYR A 53 -4.481 10.458 5.936 1.00 0.96 C ATOM 777 O TYR A 53 -4.742 11.609 5.615 1.00 1.43 O ATOM 778 CB TYR A 53 -6.503 10.251 7.452 1.00 2.08 C ATOM 779 CG TYR A 53 -6.762 11.607 8.102 1.00 3.12 C ATOM 780 CD1 TYR A 53 -5.928 12.699 7.881 1.00 3.74 C ATOM 781 CD2 TYR A 53 -7.855 11.784 8.943 1.00 3.88 C ATOM 782 CE1 TYR A 53 -6.175 13.921 8.477 1.00 4.86 C ATOM 783 CE2 TYR A 53 -8.108 13.004 9.541 1.00 5.03 C ATOM 784 CZ TYR A 53 -7.266 14.068 9.305 1.00 5.45 C ATOM 785 OH TYR A 53 -7.515 15.285 9.899 1.00 6.66 O ATOM 0 H TYR A 53 -3.414 10.793 8.222 1.00 0.84 H new ATOM 0 HA TYR A 53 -4.923 8.799 7.150 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -6.998 10.234 6.481 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -6.973 9.480 8.063 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -5.072 12.589 7.232 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -8.518 10.953 9.132 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -5.516 14.757 8.295 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -8.963 13.123 10.191 1.00 5.03 H new ATOM 0 HH TYR A 53 -8.322 15.221 10.451 1.00 6.66 H new ATOM 795 N LEU A 54 -3.752 9.660 5.151 1.00 0.84 N ATOM 796 CA LEU A 54 -3.237 10.145 3.869 1.00 0.76 C ATOM 797 C LEU A 54 -2.635 8.992 3.068 1.00 0.76 C ATOM 798 O LEU A 54 -1.479 8.639 3.248 1.00 0.98 O ATOM 799 CB LEU A 54 -2.198 11.240 4.120 1.00 0.97 C ATOM 800 CG LEU A 54 -1.852 12.130 2.928 1.00 1.15 C ATOM 801 CD1 LEU A 54 -1.120 11.347 1.847 1.00 1.60 C ATOM 802 CD2 LEU A 54 -3.104 12.779 2.358 1.00 1.60 C ATOM 0 H LEU A 54 -3.509 8.695 5.374 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.055 10.565 3.284 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.559 11.876 4.928 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.281 10.767 4.472 1.00 0.97 H new ATOM 0 HG LEU A 54 -1.186 12.915 3.285 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -0.888 12.009 1.012 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -0.195 10.940 2.256 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -1.752 10.531 1.498 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -2.834 13.408 1.510 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -3.797 12.005 2.029 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -3.579 13.389 3.126 1.00 1.60 H new ATOM 814 N ASN A 55 -3.419 8.389 2.181 1.00 0.60 N ATOM 815 CA ASN A 55 -2.911 7.268 1.401 1.00 0.66 C ATOM 816 C ASN A 55 -3.778 6.949 0.192 1.00 0.50 C ATOM 817 O ASN A 55 -4.884 7.470 0.044 1.00 0.56 O ATOM 818 CB ASN A 55 -2.779 6.036 2.301 1.00 0.87 C ATOM 819 CG ASN A 55 -4.010 5.765 3.150 1.00 1.51 C ATOM 820 OD1 ASN A 55 -5.064 6.551 2.961 1.00 2.21 O flip ATOM 821 ND2 ASN A 55 -4.015 4.845 3.968 1.00 2.21 N flip ATOM 0 H ASN A 55 -4.386 8.650 1.987 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.933 7.556 1.015 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -2.578 5.163 1.680 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -1.918 6.166 2.956 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -3.186 4.262 4.085 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -4.848 4.665 4.528 1.00 2.21 H new ATOM 828 N ALA A 56 -3.252 6.089 -0.680 1.00 0.50 N ATOM 829 CA ALA A 56 -3.959 5.693 -1.894 1.00 0.45 C ATOM 830 C ALA A 56 -3.565 4.284 -2.332 1.00 0.45 C ATOM 831 O ALA A 56 -2.584 3.720 -1.848 1.00 0.61 O ATOM 832 CB ALA A 56 -3.683 6.688 -3.010 1.00 0.58 C ATOM 0 H ALA A 56 -2.337 5.653 -0.566 1.00 0.50 H new ATOM 0 HA ALA A 56 -5.027 5.689 -1.675 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -4.216 6.382 -3.910 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -4.022 7.678 -2.707 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -2.613 6.718 -3.214 1.00 0.58 H new ATOM 838 N ALA A 57 -4.342 3.732 -3.261 1.00 0.43 N ATOM 839 CA ALA A 57 -4.089 2.397 -3.783 1.00 0.47 C ATOM 840 C ALA A 57 -3.236 2.456 -5.033 1.00 0.40 C ATOM 841 O ALA A 57 -3.405 3.336 -5.878 1.00 0.44 O ATOM 842 CB ALA A 57 -5.395 1.683 -4.081 1.00 0.59 C ATOM 0 H ALA A 57 -5.155 4.194 -3.668 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.547 1.838 -3.020 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.184 0.687 -4.470 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.981 1.599 -3.166 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.959 2.250 -4.822 1.00 0.59 H new ATOM 848 N VAL A 58 -2.319 1.509 -5.142 1.00 0.39 N ATOM 849 CA VAL A 58 -1.435 1.439 -6.282 1.00 0.39 C ATOM 850 C VAL A 58 -1.321 0.013 -6.790 1.00 0.40 C ATOM 851 O VAL A 58 -1.213 -0.936 -6.017 1.00 0.60 O ATOM 852 CB VAL A 58 -0.030 1.961 -5.940 1.00 0.49 C ATOM 853 CG1 VAL A 58 0.891 1.833 -7.140 1.00 1.11 C ATOM 854 CG2 VAL A 58 -0.096 3.404 -5.462 1.00 1.22 C ATOM 0 H VAL A 58 -2.171 0.776 -4.448 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.867 2.071 -7.058 1.00 0.39 H new ATOM 0 HB VAL A 58 0.376 1.354 -5.131 1.00 0.49 H new ATOM 0 HG11 VAL A 58 1.881 2.207 -6.880 1.00 1.11 H new ATOM 0 HG12 VAL A 58 0.964 0.786 -7.432 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.490 2.414 -7.970 1.00 1.11 H new ATOM 0 HG21 VAL A 58 0.908 3.755 -5.225 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.523 4.028 -6.247 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.721 3.464 -4.571 1.00 1.22 H new ATOM 864 N ALA A 59 -1.330 -0.121 -8.098 1.00 0.34 N ATOM 865 CA ALA A 59 -1.203 -1.416 -8.735 1.00 0.36 C ATOM 866 C ALA A 59 -0.161 -1.335 -9.832 1.00 0.37 C ATOM 867 O ALA A 59 -0.466 -0.987 -10.972 1.00 0.43 O ATOM 868 CB ALA A 59 -2.542 -1.871 -9.296 1.00 0.44 C ATOM 0 H ALA A 59 -1.425 0.659 -8.748 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.886 -2.151 -7.995 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.426 -2.845 -9.770 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.269 -1.946 -8.487 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.892 -1.148 -10.033 1.00 0.44 H new ATOM 874 N LEU A 60 1.073 -1.644 -9.473 1.00 0.37 N ATOM 875 CA LEU A 60 2.177 -1.594 -10.416 1.00 0.45 C ATOM 876 C LEU A 60 2.473 -2.963 -11.006 1.00 0.39 C ATOM 877 O LEU A 60 2.445 -3.975 -10.307 1.00 0.38 O ATOM 878 CB LEU A 60 3.428 -1.029 -9.737 1.00 0.56 C ATOM 879 CG LEU A 60 4.758 -1.420 -10.386 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.773 -0.300 -10.238 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.293 -2.698 -9.757 1.00 0.98 C ATOM 0 H LEU A 60 1.336 -1.933 -8.531 1.00 0.37 H new ATOM 0 HA LEU A 60 1.885 -0.936 -11.234 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.355 0.058 -9.724 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.438 -1.360 -8.698 1.00 0.56 H new ATOM 0 HG LEU A 60 4.586 -1.594 -11.448 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.712 -0.596 -10.705 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.395 0.600 -10.722 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.942 -0.099 -9.180 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.239 -2.966 -10.227 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.449 -2.540 -8.690 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.574 -3.504 -9.903 1.00 0.98 H new ATOM 893 N GLU A 61 2.779 -2.973 -12.294 1.00 0.39 N ATOM 894 CA GLU A 61 3.108 -4.203 -12.991 1.00 0.38 C ATOM 895 C GLU A 61 4.591 -4.508 -12.824 1.00 0.36 C ATOM 896 O GLU A 61 5.429 -3.998 -13.569 1.00 0.38 O ATOM 897 CB GLU A 61 2.755 -4.080 -14.473 1.00 0.44 C ATOM 898 CG GLU A 61 2.933 -5.377 -15.235 1.00 1.08 C ATOM 899 CD GLU A 61 2.435 -5.294 -16.664 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.946 -4.444 -17.424 1.00 1.24 O ATOM 901 OE2 GLU A 61 1.534 -6.080 -17.026 1.00 1.39 O ATOM 0 H GLU A 61 2.806 -2.138 -12.879 1.00 0.39 H new ATOM 0 HA GLU A 61 2.528 -5.021 -12.564 1.00 0.38 H new ATOM 0 HB2 GLU A 61 1.721 -3.749 -14.568 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.379 -3.310 -14.927 1.00 0.44 H new ATOM 0 HG2 GLU A 61 3.989 -5.649 -15.239 1.00 1.08 H new ATOM 0 HG3 GLU A 61 2.401 -6.174 -14.716 1.00 1.08 H new ATOM 908 N THR A 62 4.912 -5.327 -11.827 1.00 0.39 N ATOM 909 CA THR A 62 6.289 -5.682 -11.545 1.00 0.43 C ATOM 910 C THR A 62 6.712 -6.922 -12.313 1.00 0.39 C ATOM 911 O THR A 62 5.916 -7.556 -13.007 1.00 0.43 O ATOM 912 CB THR A 62 6.484 -5.925 -10.043 1.00 0.54 C ATOM 913 OG1 THR A 62 7.829 -6.255 -9.752 1.00 1.47 O ATOM 914 CG2 THR A 62 5.615 -7.038 -9.502 1.00 1.02 C ATOM 0 H THR A 62 4.230 -5.756 -11.201 1.00 0.39 H new ATOM 0 HA THR A 62 6.912 -4.846 -11.864 1.00 0.43 H new ATOM 0 HB THR A 62 6.197 -4.989 -9.563 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.426 -5.629 -10.212 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.801 -7.159 -8.435 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.566 -6.791 -9.662 1.00 1.02 H new ATOM 0 HG23 THR A 62 5.851 -7.968 -10.019 1.00 1.02 H new ATOM 922 N SER A 63 7.974 -7.258 -12.146 1.00 0.40 N ATOM 923 CA SER A 63 8.575 -8.423 -12.764 1.00 0.44 C ATOM 924 C SER A 63 9.584 -8.989 -11.785 1.00 0.44 C ATOM 925 O SER A 63 10.289 -9.961 -12.057 1.00 0.64 O ATOM 926 CB SER A 63 9.249 -8.043 -14.082 1.00 0.56 C ATOM 927 OG SER A 63 8.295 -7.604 -15.035 1.00 1.23 O ATOM 0 H SER A 63 8.622 -6.722 -11.568 1.00 0.40 H new ATOM 0 HA SER A 63 7.815 -9.169 -12.995 1.00 0.44 H new ATOM 0 HB2 SER A 63 9.981 -7.255 -13.906 1.00 0.56 H new ATOM 0 HB3 SER A 63 9.793 -8.901 -14.476 1.00 0.56 H new ATOM 0 HG SER A 63 8.751 -7.365 -15.869 1.00 1.23 H new ATOM 933 N LEU A 64 9.617 -8.340 -10.626 1.00 0.39 N ATOM 934 CA LEU A 64 10.493 -8.698 -9.532 1.00 0.38 C ATOM 935 C LEU A 64 9.668 -9.010 -8.300 1.00 0.35 C ATOM 936 O LEU A 64 8.844 -8.197 -7.878 1.00 0.39 O ATOM 937 CB LEU A 64 11.466 -7.554 -9.229 1.00 0.42 C ATOM 938 CG LEU A 64 11.037 -6.166 -9.714 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.838 -5.091 -8.997 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.230 -6.038 -11.218 1.00 0.84 C ATOM 0 H LEU A 64 9.022 -7.537 -10.424 1.00 0.39 H new ATOM 0 HA LEU A 64 11.069 -9.579 -9.816 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.620 -7.510 -8.151 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.430 -7.793 -9.679 1.00 0.42 H new ATOM 0 HG LEU A 64 9.979 -6.036 -9.487 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.525 -4.108 -9.349 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.665 -5.164 -7.923 1.00 0.78 H new ATOM 0 HD13 LEU A 64 12.899 -5.229 -9.204 1.00 0.78 H new ATOM 0 HD21 LEU A 64 10.919 -5.045 -11.541 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.281 -6.187 -11.464 1.00 0.84 H new ATOM 0 HD23 LEU A 64 10.628 -6.790 -11.727 1.00 0.84 H new ATOM 952 N ALA A 65 9.886 -10.188 -7.728 1.00 0.38 N ATOM 953 CA ALA A 65 9.154 -10.600 -6.541 1.00 0.42 C ATOM 954 C ALA A 65 9.027 -9.438 -5.564 1.00 0.39 C ATOM 955 O ALA A 65 10.015 -8.768 -5.268 1.00 0.38 O ATOM 956 CB ALA A 65 9.845 -11.779 -5.875 1.00 0.52 C ATOM 0 H ALA A 65 10.562 -10.872 -8.067 1.00 0.38 H new ATOM 0 HA ALA A 65 8.153 -10.910 -6.842 1.00 0.42 H new ATOM 0 HB1 ALA A 65 9.285 -12.075 -4.988 1.00 0.52 H new ATOM 0 HB2 ALA A 65 9.890 -12.616 -6.572 1.00 0.52 H new ATOM 0 HB3 ALA A 65 10.856 -11.492 -5.586 1.00 0.52 H new ATOM 962 N PRO A 66 7.803 -9.168 -5.070 1.00 0.44 N ATOM 963 CA PRO A 66 7.536 -8.071 -4.132 1.00 0.47 C ATOM 964 C PRO A 66 8.606 -7.915 -3.062 1.00 0.45 C ATOM 965 O PRO A 66 8.699 -6.876 -2.418 1.00 0.49 O ATOM 966 CB PRO A 66 6.218 -8.486 -3.498 1.00 0.55 C ATOM 967 CG PRO A 66 5.506 -9.212 -4.582 1.00 0.57 C ATOM 968 CD PRO A 66 6.567 -9.897 -5.409 1.00 0.50 C ATOM 0 HA PRO A 66 7.517 -7.106 -4.638 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.377 -9.124 -2.629 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.649 -7.620 -3.158 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.808 -9.939 -4.168 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.923 -8.522 -5.193 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.646 -10.955 -5.161 1.00 0.50 H new ATOM 0 HD3 PRO A 66 6.346 -9.835 -6.474 1.00 0.50 H new ATOM 976 N GLU A 67 9.432 -8.935 -2.888 1.00 0.45 N ATOM 977 CA GLU A 67 10.500 -8.871 -1.915 1.00 0.49 C ATOM 978 C GLU A 67 11.439 -7.746 -2.308 1.00 0.44 C ATOM 979 O GLU A 67 11.756 -6.868 -1.507 1.00 0.47 O ATOM 980 CB GLU A 67 11.244 -10.205 -1.873 1.00 0.52 C ATOM 981 CG GLU A 67 10.322 -11.391 -1.645 1.00 0.71 C ATOM 982 CD GLU A 67 11.053 -12.717 -1.704 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.980 -12.922 -0.892 1.00 1.06 O ATOM 984 OE2 GLU A 67 10.699 -13.552 -2.563 1.00 1.20 O ATOM 0 H GLU A 67 9.380 -9.811 -3.407 1.00 0.45 H new ATOM 0 HA GLU A 67 10.096 -8.678 -0.921 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.782 -10.345 -2.811 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.990 -10.174 -1.079 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.839 -11.289 -0.673 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.532 -11.382 -2.396 1.00 0.71 H new ATOM 991 N GLU A 68 11.845 -7.773 -3.570 1.00 0.40 N ATOM 992 CA GLU A 68 12.723 -6.758 -4.130 1.00 0.39 C ATOM 993 C GLU A 68 11.953 -5.460 -4.333 1.00 0.35 C ATOM 994 O GLU A 68 12.401 -4.384 -3.935 1.00 0.40 O ATOM 995 CB GLU A 68 13.269 -7.238 -5.472 1.00 0.41 C ATOM 996 CG GLU A 68 13.565 -8.725 -5.514 1.00 0.97 C ATOM 997 CD GLU A 68 14.546 -9.156 -4.440 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.691 -8.660 -4.448 1.00 1.90 O ATOM 999 OE2 GLU A 68 14.168 -9.993 -3.594 1.00 2.06 O ATOM 0 H GLU A 68 11.574 -8.499 -4.233 1.00 0.40 H new ATOM 0 HA GLU A 68 13.549 -6.582 -3.441 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.549 -6.998 -6.254 1.00 0.41 H new ATOM 0 HB3 GLU A 68 14.182 -6.688 -5.700 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.635 -9.280 -5.395 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.967 -8.984 -6.493 1.00 0.97 H new ATOM 1006 N LEU A 69 10.788 -5.585 -4.962 1.00 0.32 N ATOM 1007 CA LEU A 69 9.921 -4.448 -5.241 1.00 0.33 C ATOM 1008 C LEU A 69 9.692 -3.598 -3.990 1.00 0.34 C ATOM 1009 O LEU A 69 9.928 -2.388 -4.005 1.00 0.44 O ATOM 1010 CB LEU A 69 8.587 -4.949 -5.812 1.00 0.38 C ATOM 1011 CG LEU A 69 7.341 -4.156 -5.384 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.232 -2.868 -6.184 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.077 -4.997 -5.531 1.00 0.67 C ATOM 0 H LEU A 69 10.420 -6.477 -5.292 1.00 0.32 H new ATOM 0 HA LEU A 69 10.411 -3.811 -5.978 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.649 -4.933 -6.900 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.453 -5.989 -5.515 1.00 0.38 H new ATOM 0 HG LEU A 69 7.446 -3.899 -4.330 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.345 -2.318 -5.869 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.118 -2.257 -6.012 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.155 -3.104 -7.245 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.212 -4.411 -5.221 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.958 -5.297 -6.572 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.156 -5.886 -4.905 1.00 0.67 H new ATOM 1025 N LEU A 70 9.234 -4.232 -2.916 1.00 0.39 N ATOM 1026 CA LEU A 70 8.980 -3.523 -1.665 1.00 0.47 C ATOM 1027 C LEU A 70 10.226 -2.784 -1.197 1.00 0.44 C ATOM 1028 O LEU A 70 10.146 -1.637 -0.766 1.00 0.47 O ATOM 1029 CB LEU A 70 8.517 -4.488 -0.570 1.00 0.62 C ATOM 1030 CG LEU A 70 7.143 -5.122 -0.785 1.00 0.99 C ATOM 1031 CD1 LEU A 70 6.793 -6.032 0.381 1.00 1.48 C ATOM 1032 CD2 LEU A 70 6.077 -4.053 -0.961 1.00 1.65 C ATOM 0 H LEU A 70 9.031 -5.231 -2.885 1.00 0.39 H new ATOM 0 HA LEU A 70 8.188 -2.799 -1.855 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.255 -5.285 -0.478 1.00 0.62 H new ATOM 0 HB3 LEU A 70 8.506 -3.953 0.380 1.00 0.62 H new ATOM 0 HG LEU A 70 7.181 -5.719 -1.696 1.00 0.99 H new ATOM 0 HD11 LEU A 70 5.812 -6.476 0.214 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.540 -6.822 0.463 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.776 -5.451 1.303 1.00 1.48 H new ATOM 0 HD21 LEU A 70 5.107 -4.527 -1.113 1.00 1.65 H new ATOM 0 HD22 LEU A 70 6.039 -3.427 -0.070 1.00 1.65 H new ATOM 0 HD23 LEU A 70 6.319 -3.437 -1.827 1.00 1.65 H new ATOM 1044 N ASN A 71 11.372 -3.454 -1.275 1.00 0.46 N ATOM 1045 CA ASN A 71 12.635 -2.859 -0.847 1.00 0.50 C ATOM 1046 C ASN A 71 12.889 -1.505 -1.504 1.00 0.41 C ATOM 1047 O ASN A 71 13.228 -0.546 -0.819 1.00 0.44 O ATOM 1048 CB ASN A 71 13.802 -3.804 -1.130 1.00 0.59 C ATOM 1049 CG ASN A 71 14.003 -4.817 -0.019 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.297 -4.453 1.119 1.00 1.59 O ATOM 1051 ND2 ASN A 71 13.839 -6.092 -0.341 1.00 0.72 N ATOM 0 H ASN A 71 11.453 -4.407 -1.630 1.00 0.46 H new ATOM 0 HA ASN A 71 12.558 -2.695 0.228 1.00 0.50 H new ATOM 0 HB2 ASN A 71 13.623 -4.328 -2.069 1.00 0.59 H new ATOM 0 HB3 ASN A 71 14.715 -3.223 -1.258 1.00 0.59 H new ATOM 0 HD21 ASN A 71 13.956 -6.816 0.368 1.00 0.72 H new ATOM 0 HD22 ASN A 71 13.595 -6.349 -1.297 1.00 0.72 H new ATOM 1058 N HIS A 72 12.740 -1.429 -2.825 1.00 0.37 N ATOM 1059 CA HIS A 72 12.977 -0.178 -3.548 1.00 0.35 C ATOM 1060 C HIS A 72 12.017 0.919 -3.116 1.00 0.32 C ATOM 1061 O HIS A 72 12.439 2.027 -2.788 1.00 0.35 O ATOM 1062 CB HIS A 72 12.870 -0.401 -5.054 1.00 0.39 C ATOM 1063 CG HIS A 72 13.985 -1.227 -5.612 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.287 -0.781 -5.696 1.00 1.07 N ATOM 1065 CD2 HIS A 72 13.990 -2.486 -6.100 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.044 -1.731 -6.215 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.279 -2.777 -6.469 1.00 1.11 N ATOM 0 H HIS A 72 12.458 -2.212 -3.415 1.00 0.37 H new ATOM 0 HA HIS A 72 13.988 0.149 -3.303 1.00 0.35 H new ATOM 0 HB2 HIS A 72 11.921 -0.888 -5.275 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.857 0.566 -5.557 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.137 -3.143 -6.184 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.106 -1.664 -6.400 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.595 -3.658 -6.874 1.00 1.11 H new ATOM 1076 N THR A 73 10.728 0.618 -3.114 1.00 0.34 N ATOM 1077 CA THR A 73 9.732 1.598 -2.706 1.00 0.38 C ATOM 1078 C THR A 73 10.023 2.073 -1.281 1.00 0.36 C ATOM 1079 O THR A 73 9.980 3.271 -0.982 1.00 0.36 O ATOM 1080 CB THR A 73 8.335 0.995 -2.812 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.258 -0.220 -2.086 1.00 0.77 O ATOM 1082 CG2 THR A 73 7.914 0.706 -4.234 1.00 0.61 C ATOM 0 H THR A 73 10.349 -0.288 -3.388 1.00 0.34 H new ATOM 0 HA THR A 73 9.779 2.462 -3.369 1.00 0.38 H new ATOM 0 HB THR A 73 7.664 1.747 -2.398 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.162 -0.523 -1.859 1.00 0.77 H new ATOM 0 HG21 THR A 73 6.911 0.279 -4.237 1.00 0.61 H new ATOM 0 HG22 THR A 73 7.916 1.632 -4.809 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.611 -0.001 -4.683 1.00 0.61 H new ATOM 1090 N GLN A 74 10.346 1.119 -0.415 1.00 0.39 N ATOM 1091 CA GLN A 74 10.673 1.411 0.971 1.00 0.42 C ATOM 1092 C GLN A 74 12.116 1.884 1.075 1.00 0.41 C ATOM 1093 O GLN A 74 12.581 2.281 2.145 1.00 0.50 O ATOM 1094 CB GLN A 74 10.470 0.172 1.845 1.00 0.49 C ATOM 1095 CG GLN A 74 11.556 -0.881 1.684 1.00 1.45 C ATOM 1096 CD GLN A 74 11.308 -2.110 2.538 1.00 1.87 C ATOM 1097 OE1 GLN A 74 10.301 -2.799 2.376 1.00 2.25 O ATOM 1098 NE2 GLN A 74 12.229 -2.390 3.452 1.00 2.54 N ATOM 0 H GLN A 74 10.388 0.128 -0.654 1.00 0.39 H new ATOM 0 HA GLN A 74 10.008 2.199 1.324 1.00 0.42 H new ATOM 0 HB2 GLN A 74 10.428 0.480 2.890 1.00 0.49 H new ATOM 0 HB3 GLN A 74 9.505 -0.275 1.605 1.00 0.49 H new ATOM 0 HG2 GLN A 74 11.617 -1.177 0.637 1.00 1.45 H new ATOM 0 HG3 GLN A 74 12.520 -0.447 1.950 1.00 1.45 H new ATOM 0 HE21 GLN A 74 13.048 -1.790 3.551 1.00 2.54 H new ATOM 0 HE22 GLN A 74 12.118 -3.205 4.055 1.00 2.54 H new ATOM 1107 N ARG A 75 12.814 1.850 -0.054 1.00 0.37 N ATOM 1108 CA ARG A 75 14.204 2.282 -0.115 1.00 0.41 C ATOM 1109 C ARG A 75 14.245 3.796 -0.178 1.00 0.39 C ATOM 1110 O ARG A 75 15.019 4.446 0.531 1.00 0.43 O ATOM 1111 CB ARG A 75 14.898 1.666 -1.334 1.00 0.48 C ATOM 1112 CG ARG A 75 16.335 2.107 -1.535 1.00 0.89 C ATOM 1113 CD ARG A 75 17.004 1.296 -2.636 1.00 0.88 C ATOM 1114 NE ARG A 75 18.316 1.829 -2.994 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.351 1.873 -2.159 1.00 2.26 C ATOM 1116 NH1 ARG A 75 19.236 1.402 -0.924 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.506 2.386 -2.560 1.00 3.06 N ATOM 0 H ARG A 75 12.437 1.526 -0.944 1.00 0.37 H new ATOM 0 HA ARG A 75 14.735 1.946 0.776 1.00 0.41 H new ATOM 0 HB2 ARG A 75 14.875 0.580 -1.238 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.326 1.919 -2.227 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.362 3.166 -1.791 1.00 0.89 H new ATOM 0 HG3 ARG A 75 16.889 1.990 -0.604 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.111 0.262 -2.309 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.364 1.287 -3.518 1.00 0.88 H new ATOM 0 HE ARG A 75 18.446 2.189 -3.940 1.00 1.59 H new ATOM 0 HH11 ARG A 75 18.351 1.004 -0.610 1.00 2.72 H new ATOM 0 HH12 ARG A 75 20.033 1.438 -0.288 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.601 2.747 -3.509 1.00 3.06 H new ATOM 0 HH22 ARG A 75 21.299 2.419 -1.919 1.00 3.06 H new ATOM 1131 N ILE A 76 13.375 4.353 -1.007 1.00 0.38 N ATOM 1132 CA ILE A 76 13.285 5.788 -1.131 1.00 0.41 C ATOM 1133 C ILE A 76 12.803 6.374 0.185 1.00 0.42 C ATOM 1134 O ILE A 76 13.363 7.354 0.663 1.00 0.44 O ATOM 1135 CB ILE A 76 12.355 6.213 -2.283 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.923 5.727 -3.616 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.178 7.723 -2.297 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.289 6.295 -3.944 1.00 0.83 C ATOM 0 H ILE A 76 12.728 3.831 -1.598 1.00 0.38 H new ATOM 0 HA ILE A 76 14.277 6.172 -1.367 1.00 0.41 H new ATOM 0 HB ILE A 76 11.376 5.758 -2.131 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.987 4.639 -3.597 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.229 5.992 -4.414 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.518 8.004 -3.118 1.00 0.50 H new ATOM 0 HG22 ILE A 76 11.741 8.047 -1.352 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.148 8.202 -2.431 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.625 5.904 -4.904 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.228 7.382 -3.996 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.998 6.008 -3.167 1.00 0.83 H new ATOM 1150 N GLU A 77 11.788 5.749 0.796 1.00 0.44 N ATOM 1151 CA GLU A 77 11.298 6.229 2.086 1.00 0.47 C ATOM 1152 C GLU A 77 12.355 5.987 3.154 1.00 0.48 C ATOM 1153 O GLU A 77 12.372 6.647 4.190 1.00 0.54 O ATOM 1154 CB GLU A 77 9.956 5.589 2.483 1.00 0.50 C ATOM 1155 CG GLU A 77 9.982 4.078 2.669 1.00 0.66 C ATOM 1156 CD GLU A 77 10.602 3.642 3.985 1.00 0.97 C ATOM 1157 OE1 GLU A 77 10.860 4.520 4.835 1.00 1.43 O ATOM 1158 OE2 GLU A 77 10.851 2.431 4.155 1.00 1.32 O ATOM 0 H GLU A 77 11.303 4.931 0.427 1.00 0.44 H new ATOM 0 HA GLU A 77 11.111 7.299 1.995 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.616 6.046 3.412 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.217 5.831 1.719 1.00 0.50 H new ATOM 0 HG2 GLU A 77 8.963 3.695 2.612 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.539 3.628 1.847 1.00 0.66 H new ATOM 1165 N LEU A 78 13.262 5.052 2.883 1.00 0.45 N ATOM 1166 CA LEU A 78 14.343 4.757 3.813 1.00 0.49 C ATOM 1167 C LEU A 78 15.268 5.966 3.888 1.00 0.49 C ATOM 1168 O LEU A 78 15.946 6.190 4.889 1.00 0.59 O ATOM 1169 CB LEU A 78 15.122 3.515 3.366 1.00 0.53 C ATOM 1170 CG LEU A 78 16.299 3.121 4.260 1.00 0.88 C ATOM 1171 CD1 LEU A 78 15.816 2.760 5.657 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.068 1.962 3.646 1.00 1.52 C ATOM 0 H LEU A 78 13.269 4.490 2.032 1.00 0.45 H new ATOM 0 HA LEU A 78 13.926 4.550 4.798 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.431 2.674 3.312 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.496 3.685 2.356 1.00 0.53 H new ATOM 0 HG LEU A 78 16.969 3.977 4.341 1.00 0.88 H new ATOM 0 HD11 LEU A 78 16.669 2.483 6.277 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.309 3.618 6.100 1.00 1.66 H new ATOM 0 HD13 LEU A 78 15.123 1.921 5.597 1.00 1.66 H new ATOM 0 HD21 LEU A 78 17.902 1.694 4.295 1.00 1.52 H new ATOM 0 HD22 LEU A 78 16.405 1.104 3.535 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.449 2.256 2.668 1.00 1.52 H new ATOM 1184 N GLN A 79 15.268 6.747 2.810 1.00 0.47 N ATOM 1185 CA GLN A 79 16.082 7.952 2.730 1.00 0.52 C ATOM 1186 C GLN A 79 15.199 9.191 2.570 1.00 0.53 C ATOM 1187 O GLN A 79 15.695 10.316 2.513 1.00 0.72 O ATOM 1188 CB GLN A 79 17.064 7.856 1.560 1.00 0.63 C ATOM 1189 CG GLN A 79 18.018 6.677 1.661 1.00 1.12 C ATOM 1190 CD GLN A 79 19.004 6.625 0.510 1.00 1.67 C ATOM 1191 OE1 GLN A 79 18.612 6.525 -0.654 1.00 2.24 O ATOM 1192 NE2 GLN A 79 20.292 6.694 0.828 1.00 2.32 N ATOM 0 H GLN A 79 14.709 6.563 1.977 1.00 0.47 H new ATOM 0 HA GLN A 79 16.646 8.043 3.658 1.00 0.52 H new ATOM 0 HB2 GLN A 79 16.501 7.779 0.630 1.00 0.63 H new ATOM 0 HB3 GLN A 79 17.643 8.778 1.506 1.00 0.63 H new ATOM 0 HG2 GLN A 79 18.566 6.737 2.601 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.444 5.751 1.685 1.00 1.12 H new ATOM 0 HE21 GLN A 79 20.572 6.776 1.805 1.00 2.32 H new ATOM 0 HE22 GLN A 79 21.001 6.665 0.095 1.00 2.32 H new ATOM 1201 N GLN A 80 13.886 8.971 2.504 1.00 0.61 N ATOM 1202 CA GLN A 80 12.926 10.062 2.356 1.00 0.72 C ATOM 1203 C GLN A 80 12.132 10.261 3.642 1.00 0.88 C ATOM 1204 O GLN A 80 12.005 11.383 4.135 1.00 1.15 O ATOM 1205 CB GLN A 80 11.987 9.806 1.164 1.00 0.74 C ATOM 1206 CG GLN A 80 12.597 10.190 -0.176 1.00 1.27 C ATOM 1207 CD GLN A 80 12.826 11.686 -0.331 1.00 1.51 C ATOM 1208 OE1 GLN A 80 12.371 12.473 0.642 1.00 2.00 O flip ATOM 1209 NE2 GLN A 80 13.400 12.134 -1.324 1.00 2.07 N flip ATOM 0 H GLN A 80 13.463 8.044 2.551 1.00 0.61 H new ATOM 0 HA GLN A 80 13.481 10.979 2.157 1.00 0.72 H new ATOM 0 HB2 GLN A 80 11.717 8.750 1.143 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.065 10.368 1.310 1.00 0.74 H new ATOM 0 HG2 GLN A 80 13.548 9.670 -0.296 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.942 9.846 -0.977 1.00 1.27 H new ATOM 0 HE21 GLN A 80 13.735 11.500 -2.049 1.00 2.07 H new ATOM 0 HE22 GLN A 80 13.541 13.140 -1.421 1.00 2.07 H new ATOM 1218 N GLY A 81 11.615 9.167 4.195 1.00 0.99 N ATOM 1219 CA GLY A 81 10.861 9.246 5.429 1.00 1.25 C ATOM 1220 C GLY A 81 11.654 8.725 6.611 1.00 1.79 C ATOM 1221 O GLY A 81 11.200 8.790 7.753 1.00 2.18 O ATOM 0 H GLY A 81 11.706 8.228 3.808 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.573 10.281 5.613 1.00 1.25 H new ATOM 0 HA3 GLY A 81 9.940 8.672 5.329 1.00 1.25 H new ATOM 1429 N THR A 93 7.278 9.262 6.350 1.00 1.14 N ATOM 1430 CA THR A 93 7.750 7.916 6.059 1.00 1.33 C ATOM 1431 C THR A 93 6.962 7.326 4.892 1.00 1.11 C ATOM 1432 O THR A 93 6.607 8.048 3.959 1.00 1.61 O ATOM 1433 CB THR A 93 7.625 7.025 7.299 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.202 5.751 7.072 1.00 2.57 O ATOM 1435 CG2 THR A 93 6.194 6.813 7.739 1.00 2.58 C ATOM 0 HA THR A 93 8.802 7.966 5.779 1.00 1.33 H new ATOM 0 HB THR A 93 8.157 7.557 8.088 1.00 1.94 H new ATOM 0 HG1 THR A 93 8.111 5.202 7.879 1.00 2.57 H new ATOM 0 HG21 THR A 93 6.176 6.174 8.622 1.00 2.58 H new ATOM 0 HG22 THR A 93 5.741 7.775 7.978 1.00 2.58 H new ATOM 0 HG23 THR A 93 5.633 6.337 6.935 1.00 2.58 H new ATOM 1443 N LEU A 94 6.697 6.020 4.931 1.00 0.80 N ATOM 1444 CA LEU A 94 5.963 5.373 3.855 1.00 0.54 C ATOM 1445 C LEU A 94 5.681 3.906 4.175 1.00 0.52 C ATOM 1446 O LEU A 94 6.488 3.236 4.820 1.00 0.65 O ATOM 1447 CB LEU A 94 6.777 5.489 2.572 1.00 0.48 C ATOM 1448 CG LEU A 94 5.993 5.892 1.333 1.00 0.52 C ATOM 1449 CD1 LEU A 94 6.953 6.310 0.234 1.00 1.39 C ATOM 1450 CD2 LEU A 94 5.099 4.754 0.868 1.00 1.37 C ATOM 0 H LEU A 94 6.978 5.399 5.690 1.00 0.80 H new ATOM 0 HA LEU A 94 5.000 5.868 3.734 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.571 6.218 2.731 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.258 4.530 2.380 1.00 0.48 H new ATOM 0 HG LEU A 94 5.351 6.738 1.579 1.00 0.52 H new ATOM 0 HD11 LEU A 94 6.388 6.598 -0.652 1.00 1.39 H new ATOM 0 HD12 LEU A 94 7.550 7.156 0.575 1.00 1.39 H new ATOM 0 HD13 LEU A 94 7.611 5.476 -0.010 1.00 1.39 H new ATOM 0 HD21 LEU A 94 4.547 5.064 -0.019 1.00 1.37 H new ATOM 0 HD22 LEU A 94 5.711 3.884 0.629 1.00 1.37 H new ATOM 0 HD23 LEU A 94 4.396 4.496 1.660 1.00 1.37 H new ATOM 1462 N ASP A 95 4.532 3.413 3.718 1.00 0.49 N ATOM 1463 CA ASP A 95 4.143 2.025 3.958 1.00 0.56 C ATOM 1464 C ASP A 95 3.916 1.285 2.643 1.00 0.48 C ATOM 1465 O ASP A 95 2.939 1.537 1.940 1.00 0.65 O ATOM 1466 CB ASP A 95 2.874 1.973 4.807 1.00 0.87 C ATOM 1467 CG ASP A 95 3.063 2.608 6.171 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.382 3.815 6.225 1.00 1.92 O ATOM 1469 OD2 ASP A 95 2.893 1.899 7.184 1.00 2.19 O ATOM 0 H ASP A 95 3.855 3.953 3.180 1.00 0.49 H new ATOM 0 HA ASP A 95 4.956 1.534 4.494 1.00 0.56 H new ATOM 0 HB2 ASP A 95 2.067 2.483 4.281 1.00 0.87 H new ATOM 0 HB3 ASP A 95 2.567 0.935 4.932 1.00 0.87 H new ATOM 1474 N LEU A 96 4.833 0.381 2.309 1.00 0.48 N ATOM 1475 CA LEU A 96 4.738 -0.383 1.068 1.00 0.63 C ATOM 1476 C LEU A 96 4.376 -1.845 1.326 1.00 0.60 C ATOM 1477 O LEU A 96 5.152 -2.589 1.925 1.00 0.76 O ATOM 1478 CB LEU A 96 6.067 -0.314 0.309 1.00 0.97 C ATOM 1479 CG LEU A 96 6.543 1.092 -0.064 1.00 0.98 C ATOM 1480 CD1 LEU A 96 5.460 1.848 -0.815 1.00 1.91 C ATOM 1481 CD2 LEU A 96 6.991 1.865 1.170 1.00 2.04 C ATOM 0 H LEU A 96 5.649 0.160 2.879 1.00 0.48 H new ATOM 0 HA LEU A 96 3.943 0.061 0.470 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.837 -0.790 0.917 1.00 0.97 H new ATOM 0 HB3 LEU A 96 5.974 -0.901 -0.605 1.00 0.97 H new ATOM 0 HG LEU A 96 7.404 0.990 -0.724 1.00 0.98 H new ATOM 0 HD11 LEU A 96 5.821 2.844 -1.069 1.00 1.91 H new ATOM 0 HD12 LEU A 96 5.207 1.310 -1.728 1.00 1.91 H new ATOM 0 HD13 LEU A 96 4.573 1.933 -0.187 1.00 1.91 H new ATOM 0 HD21 LEU A 96 7.324 2.860 0.875 1.00 2.04 H new ATOM 0 HD22 LEU A 96 6.157 1.953 1.867 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.813 1.336 1.652 1.00 2.04 H new ATOM 1493 N ASP A 97 3.197 -2.257 0.854 1.00 0.55 N ATOM 1494 CA ASP A 97 2.747 -3.643 1.020 1.00 0.62 C ATOM 1495 C ASP A 97 1.910 -4.083 -0.148 1.00 0.56 C ATOM 1496 O ASP A 97 1.059 -3.347 -0.644 1.00 0.70 O ATOM 1497 CB ASP A 97 1.966 -3.826 2.326 1.00 0.79 C ATOM 1498 CG ASP A 97 2.795 -3.530 3.560 1.00 1.45 C ATOM 1499 OD1 ASP A 97 3.176 -2.357 3.757 1.00 1.98 O ATOM 1500 OD2 ASP A 97 3.067 -4.473 4.333 1.00 2.17 O ATOM 0 H ASP A 97 2.540 -1.656 0.357 1.00 0.55 H new ATOM 0 HA ASP A 97 3.639 -4.268 1.065 1.00 0.62 H new ATOM 0 HB2 ASP A 97 1.094 -3.172 2.316 1.00 0.79 H new ATOM 0 HB3 ASP A 97 1.596 -4.850 2.381 1.00 0.79 H new ATOM 1505 N ILE A 98 2.186 -5.293 -0.595 1.00 0.69 N ATOM 1506 CA ILE A 98 1.492 -5.851 -1.723 1.00 0.63 C ATOM 1507 C ILE A 98 0.403 -6.829 -1.295 1.00 0.67 C ATOM 1508 O ILE A 98 0.646 -7.769 -0.539 1.00 0.93 O ATOM 1509 CB ILE A 98 2.474 -6.551 -2.672 1.00 0.74 C ATOM 1510 CG1 ILE A 98 1.735 -6.942 -3.927 1.00 1.91 C ATOM 1511 CG2 ILE A 98 3.107 -7.768 -2.012 1.00 1.40 C ATOM 1512 CD1 ILE A 98 2.556 -7.754 -4.906 1.00 2.73 C ATOM 0 H ILE A 98 2.892 -5.906 -0.186 1.00 0.69 H new ATOM 0 HA ILE A 98 1.014 -5.022 -2.246 1.00 0.63 H new ATOM 0 HB ILE A 98 3.285 -5.867 -2.922 1.00 0.74 H new ATOM 0 HG12 ILE A 98 0.850 -7.515 -3.650 1.00 1.91 H new ATOM 0 HG13 ILE A 98 1.386 -6.038 -4.426 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.798 -8.242 -2.709 1.00 1.40 H new ATOM 0 HG22 ILE A 98 3.650 -7.457 -1.119 1.00 1.40 H new ATOM 0 HG23 ILE A 98 2.328 -8.478 -1.734 1.00 1.40 H new ATOM 0 HD11 ILE A 98 1.949 -7.993 -5.780 1.00 2.73 H new ATOM 0 HD12 ILE A 98 3.427 -7.177 -5.216 1.00 2.73 H new ATOM 0 HD13 ILE A 98 2.883 -8.677 -4.428 1.00 2.73 H new ATOM 1524 N MET A 99 -0.804 -6.591 -1.794 1.00 0.53 N ATOM 1525 CA MET A 99 -1.942 -7.438 -1.485 1.00 0.63 C ATOM 1526 C MET A 99 -2.003 -8.633 -2.430 1.00 0.63 C ATOM 1527 O MET A 99 -2.442 -9.709 -2.038 1.00 0.87 O ATOM 1528 CB MET A 99 -3.246 -6.640 -1.573 1.00 0.70 C ATOM 1529 CG MET A 99 -3.440 -5.654 -0.432 1.00 0.93 C ATOM 1530 SD MET A 99 -2.121 -4.430 -0.332 1.00 1.77 S ATOM 1531 CE MET A 99 -2.582 -3.560 1.165 1.00 2.48 C ATOM 0 H MET A 99 -1.017 -5.813 -2.418 1.00 0.53 H new ATOM 0 HA MET A 99 -1.819 -7.805 -0.466 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.265 -6.097 -2.518 1.00 0.70 H new ATOM 0 HB3 MET A 99 -4.086 -7.335 -1.587 1.00 0.70 H new ATOM 0 HG2 MET A 99 -4.394 -5.143 -0.558 1.00 0.93 H new ATOM 0 HG3 MET A 99 -3.493 -6.201 0.509 1.00 0.93 H new ATOM 0 HE1 MET A 99 -1.683 -3.239 1.691 1.00 2.48 H new ATOM 0 HE2 MET A 99 -3.183 -2.687 0.908 1.00 2.48 H new ATOM 0 HE3 MET A 99 -3.161 -4.223 1.807 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.568 -8.443 -3.678 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.595 -9.531 -4.659 1.00 0.55 C ATOM 1543 C LEU A 100 -0.383 -9.520 -5.580 1.00 0.54 C ATOM 1544 O LEU A 100 0.025 -8.469 -6.071 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.857 -9.454 -5.518 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.145 -9.920 -4.845 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.765 -8.801 -4.023 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -5.122 -10.436 -5.889 1.00 1.69 C ATOM 0 H LEU A 100 -1.198 -7.560 -4.030 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.582 -10.457 -4.084 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -2.991 -8.422 -5.842 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.701 -10.053 -6.415 1.00 0.75 H new ATOM 0 HG LEU A 100 -3.905 -10.735 -4.163 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -5.681 -9.159 -3.554 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.063 -8.484 -3.252 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -4.996 -7.957 -4.673 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -6.038 -10.766 -5.399 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -5.355 -9.639 -6.595 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -4.674 -11.274 -6.424 1.00 1.69 H new ATOM 1560 N PHE A 101 0.168 -10.707 -5.845 1.00 0.46 N ATOM 1561 CA PHE A 101 1.308 -10.833 -6.744 1.00 0.46 C ATOM 1562 C PHE A 101 0.842 -11.309 -8.118 1.00 0.51 C ATOM 1563 O PHE A 101 1.090 -12.448 -8.516 1.00 0.58 O ATOM 1564 CB PHE A 101 2.349 -11.803 -6.170 1.00 0.45 C ATOM 1565 CG PHE A 101 3.561 -11.980 -7.048 1.00 0.51 C ATOM 1566 CD1 PHE A 101 4.173 -10.889 -7.646 1.00 0.56 C ATOM 1567 CD2 PHE A 101 4.085 -13.243 -7.277 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.282 -11.053 -8.453 1.00 0.65 C ATOM 1569 CE2 PHE A 101 5.194 -13.413 -8.084 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.794 -12.317 -8.672 1.00 0.71 C ATOM 0 H PHE A 101 -0.158 -11.589 -5.450 1.00 0.46 H new ATOM 0 HA PHE A 101 1.775 -9.854 -6.848 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.669 -11.442 -5.193 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.880 -12.774 -6.013 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.777 -9.898 -7.479 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.621 -14.104 -6.819 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.748 -10.194 -8.912 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.591 -14.403 -8.255 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.662 -12.448 -9.302 1.00 0.71 H new ATOM 1580 N GLY A 102 0.153 -10.424 -8.835 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.350 -10.759 -10.158 1.00 0.65 C ATOM 1582 C GLY A 102 -1.580 -11.649 -10.119 1.00 0.67 C ATOM 1583 O GLY A 102 -2.209 -11.874 -11.154 1.00 0.99 O ATOM 0 H GLY A 102 -0.067 -9.478 -8.523 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.591 -9.840 -10.692 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.436 -11.260 -10.723 1.00 0.65 H new ATOM 1587 N ASN A 103 -1.886 -12.175 -8.924 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.017 -13.081 -8.695 1.00 0.64 C ATOM 1589 C ASN A 103 -2.484 -14.495 -8.721 1.00 0.71 C ATOM 1590 O ASN A 103 -3.046 -15.402 -9.335 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.144 -12.894 -9.715 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.421 -13.590 -9.290 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -6.421 -12.802 -8.924 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -5.501 -14.818 -9.271 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.347 -11.980 -8.080 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.464 -12.855 -7.727 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.339 -11.830 -9.848 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.825 -13.283 -10.682 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -4.705 -15.385 -9.562 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.363 -15.268 -8.964 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.362 -14.640 -8.043 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.654 -15.892 -7.936 1.00 0.61 C ATOM 1603 C GLU A 104 -0.667 -16.349 -6.489 1.00 0.64 C ATOM 1604 O GLU A 104 -0.430 -15.551 -5.590 1.00 0.84 O ATOM 1605 CB GLU A 104 0.775 -15.674 -8.418 1.00 0.70 C ATOM 1606 CG GLU A 104 1.692 -16.855 -8.206 1.00 1.16 C ATOM 1607 CD GLU A 104 1.307 -18.066 -9.035 1.00 1.28 C ATOM 1608 OE1 GLU A 104 0.176 -18.568 -8.862 1.00 1.79 O ATOM 1609 OE2 GLU A 104 2.132 -18.513 -9.860 1.00 1.87 O ATOM 0 H GLU A 104 -0.912 -13.873 -7.543 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.129 -16.661 -8.546 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.754 -15.432 -9.481 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.192 -14.809 -7.902 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.713 -16.563 -8.453 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.685 -17.128 -7.151 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.943 -17.622 -6.257 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.990 -18.129 -4.896 1.00 0.66 C ATOM 1618 C VAL A 105 0.414 -18.264 -4.349 1.00 0.70 C ATOM 1619 O VAL A 105 1.083 -19.281 -4.537 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.712 -19.488 -4.807 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.815 -19.945 -3.361 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -3.090 -19.407 -5.449 1.00 0.95 C ATOM 0 H VAL A 105 -1.135 -18.314 -6.981 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.556 -17.413 -4.301 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.126 -20.225 -5.355 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.328 -20.906 -3.319 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.815 -20.048 -2.940 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -2.376 -19.209 -2.786 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.583 -20.376 -5.376 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.688 -18.656 -4.933 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.987 -19.131 -6.498 1.00 0.95 H new ATOM 1632 N ILE A 106 0.860 -17.205 -3.694 1.00 0.65 N ATOM 1633 CA ILE A 106 2.192 -17.158 -3.135 1.00 0.72 C ATOM 1634 C ILE A 106 2.192 -16.420 -1.803 1.00 0.77 C ATOM 1635 O ILE A 106 2.110 -15.194 -1.746 1.00 0.84 O ATOM 1636 CB ILE A 106 3.140 -16.488 -4.148 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.570 -16.427 -3.630 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.642 -15.096 -4.508 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.535 -15.949 -4.688 1.00 0.76 C ATOM 0 H ILE A 106 0.309 -16.361 -3.538 1.00 0.65 H new ATOM 0 HA ILE A 106 2.542 -18.172 -2.941 1.00 0.72 H new ATOM 0 HB ILE A 106 3.144 -17.103 -5.048 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.616 -15.759 -2.770 1.00 0.76 H new ATOM 0 HG13 ILE A 106 4.872 -17.415 -3.283 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.325 -14.639 -5.224 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.648 -15.168 -4.949 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.596 -14.482 -3.608 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.543 -15.921 -4.275 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.510 -16.631 -5.538 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.249 -14.950 -5.016 1.00 0.76 H new ATOM 1651 N ASN A 107 2.249 -17.192 -0.725 1.00 0.80 N ATOM 1652 CA ASN A 107 2.223 -16.634 0.619 1.00 0.91 C ATOM 1653 C ASN A 107 3.604 -16.644 1.260 1.00 0.92 C ATOM 1654 O ASN A 107 4.271 -17.677 1.315 1.00 1.03 O ATOM 1655 CB ASN A 107 1.244 -17.422 1.484 1.00 1.00 C ATOM 1656 CG ASN A 107 -0.024 -17.769 0.729 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -1.073 -16.994 0.958 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -0.048 -18.697 -0.077 1.00 1.12 N flip ATOM 0 H ASN A 107 2.314 -18.209 -0.757 1.00 0.80 H new ATOM 0 HA ASN A 107 1.899 -15.596 0.545 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.722 -18.338 1.831 1.00 1.00 H new ATOM 0 HB3 ASN A 107 0.991 -16.839 2.370 1.00 1.00 H new ATOM 0 HD21 ASN A 107 0.784 -19.269 -0.222 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -0.900 -18.895 -0.601 1.00 1.12 H new ATOM 1665 N THR A 108 4.016 -15.481 1.753 1.00 0.92 N ATOM 1666 CA THR A 108 5.309 -15.329 2.406 1.00 1.01 C ATOM 1667 C THR A 108 5.227 -14.255 3.493 1.00 1.15 C ATOM 1668 O THR A 108 4.378 -14.331 4.381 1.00 1.79 O ATOM 1669 CB THR A 108 6.384 -14.965 1.377 1.00 1.00 C ATOM 1670 OG1 THR A 108 6.024 -13.788 0.680 1.00 1.66 O ATOM 1671 CG2 THR A 108 6.633 -16.049 0.350 1.00 1.26 C ATOM 0 H THR A 108 3.466 -14.623 1.711 1.00 0.92 H new ATOM 0 HA THR A 108 5.581 -16.277 2.871 1.00 1.01 H new ATOM 0 HB THR A 108 7.298 -14.825 1.954 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.132 -13.499 0.964 1.00 1.66 H new ATOM 0 HG21 THR A 108 7.406 -15.721 -0.345 1.00 1.26 H new ATOM 0 HG22 THR A 108 6.960 -16.959 0.853 1.00 1.26 H new ATOM 0 HG23 THR A 108 5.713 -16.249 -0.199 1.00 1.26 H new ATOM 1679 N GLU A 109 6.100 -13.253 3.416 1.00 0.95 N ATOM 1680 CA GLU A 109 6.105 -12.170 4.390 1.00 1.05 C ATOM 1681 C GLU A 109 6.205 -10.822 3.689 1.00 1.06 C ATOM 1682 O GLU A 109 5.893 -9.781 4.268 1.00 1.32 O ATOM 1683 CB GLU A 109 7.266 -12.341 5.374 1.00 1.20 C ATOM 1684 CG GLU A 109 7.220 -13.651 6.145 1.00 1.46 C ATOM 1685 CD GLU A 109 8.382 -13.806 7.107 1.00 2.13 C ATOM 1686 OE1 GLU A 109 8.517 -12.958 8.015 1.00 2.57 O ATOM 1687 OE2 GLU A 109 9.156 -14.773 6.953 1.00 2.74 O ATOM 0 H GLU A 109 6.811 -13.171 2.689 1.00 0.95 H new ATOM 0 HA GLU A 109 5.168 -12.204 4.946 1.00 1.05 H new ATOM 0 HB2 GLU A 109 8.207 -12.284 4.827 1.00 1.20 H new ATOM 0 HB3 GLU A 109 7.257 -11.512 6.081 1.00 1.20 H new ATOM 0 HG2 GLU A 109 6.284 -13.708 6.700 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.224 -14.483 5.440 1.00 1.46 H new ATOM 1694 N ARG A 110 6.632 -10.854 2.431 1.00 0.93 N ATOM 1695 CA ARG A 110 6.762 -9.641 1.633 1.00 0.97 C ATOM 1696 C ARG A 110 5.711 -9.614 0.530 1.00 0.79 C ATOM 1697 O ARG A 110 5.574 -8.622 -0.185 1.00 0.87 O ATOM 1698 CB ARG A 110 8.163 -9.549 1.021 1.00 1.17 C ATOM 1699 CG ARG A 110 9.277 -9.394 2.047 1.00 1.05 C ATOM 1700 CD ARG A 110 10.643 -9.639 1.432 1.00 1.57 C ATOM 1701 NE ARG A 110 11.721 -9.464 2.402 1.00 2.14 N ATOM 1702 CZ ARG A 110 12.013 -8.301 2.983 1.00 2.68 C ATOM 1703 NH1 ARG A 110 11.322 -7.209 2.677 1.00 2.96 N ATOM 1704 NH2 ARG A 110 13.000 -8.229 3.864 1.00 3.52 N ATOM 0 H ARG A 110 6.894 -11.709 1.941 1.00 0.93 H new ATOM 0 HA ARG A 110 6.608 -8.783 2.288 1.00 0.97 H new ATOM 0 HB2 ARG A 110 8.350 -10.445 0.430 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.194 -8.702 0.335 1.00 1.17 H new ATOM 0 HG2 ARG A 110 9.244 -8.391 2.472 1.00 1.05 H new ATOM 0 HG3 ARG A 110 9.116 -10.093 2.867 1.00 1.05 H new ATOM 0 HD2 ARG A 110 10.681 -10.650 1.026 1.00 1.57 H new ATOM 0 HD3 ARG A 110 10.792 -8.954 0.597 1.00 1.57 H new ATOM 0 HE ARG A 110 12.283 -10.279 2.649 1.00 2.14 H new ATOM 0 HH11 ARG A 110 10.565 -7.259 1.995 1.00 2.96 H new ATOM 0 HH12 ARG A 110 11.548 -6.320 3.124 1.00 2.96 H new ATOM 0 HH21 ARG A 110 13.537 -9.064 4.098 1.00 3.52 H new ATOM 0 HH22 ARG A 110 13.223 -7.338 4.308 1.00 3.52 H new ATOM 1718 N LEU A 111 4.969 -10.711 0.388 1.00 0.72 N ATOM 1719 CA LEU A 111 3.938 -10.789 -0.640 1.00 0.75 C ATOM 1720 C LEU A 111 2.906 -11.875 -0.357 1.00 0.66 C ATOM 1721 O LEU A 111 3.132 -13.055 -0.627 1.00 0.70 O ATOM 1722 CB LEU A 111 4.554 -11.026 -2.019 1.00 0.95 C ATOM 1723 CG LEU A 111 5.488 -12.232 -2.132 1.00 0.69 C ATOM 1724 CD1 LEU A 111 5.678 -12.621 -3.589 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.830 -11.922 -1.492 1.00 1.36 C ATOM 0 H LEU A 111 5.062 -11.547 0.965 1.00 0.72 H new ATOM 0 HA LEU A 111 3.426 -9.827 -0.627 1.00 0.75 H new ATOM 0 HB2 LEU A 111 3.746 -11.147 -2.741 1.00 0.95 H new ATOM 0 HB3 LEU A 111 5.108 -10.133 -2.307 1.00 0.95 H new ATOM 0 HG LEU A 111 5.035 -13.071 -1.604 1.00 0.69 H new ATOM 0 HD11 LEU A 111 6.345 -13.481 -3.652 1.00 0.95 H new ATOM 0 HD12 LEU A 111 4.713 -12.878 -4.026 1.00 0.95 H new ATOM 0 HD13 LEU A 111 6.112 -11.784 -4.135 1.00 0.95 H new ATOM 0 HD21 LEU A 111 7.484 -12.789 -1.580 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.286 -11.071 -1.997 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.684 -11.683 -0.439 1.00 1.36 H new ATOM 1737 N THR A 112 1.757 -11.456 0.148 1.00 0.71 N ATOM 1738 CA THR A 112 0.659 -12.368 0.427 1.00 0.67 C ATOM 1739 C THR A 112 -0.496 -12.056 -0.524 1.00 0.66 C ATOM 1740 O THR A 112 -1.300 -11.160 -0.269 1.00 0.82 O ATOM 1741 CB THR A 112 0.219 -12.254 1.888 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.964 -12.999 2.118 1.00 0.75 O ATOM 1743 CG2 THR A 112 -0.034 -10.830 2.335 1.00 0.83 C ATOM 0 H THR A 112 1.560 -10.481 0.375 1.00 0.71 H new ATOM 0 HA THR A 112 0.986 -13.395 0.267 1.00 0.67 H new ATOM 0 HB THR A 112 1.052 -12.651 2.468 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.760 -13.957 2.080 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.342 -10.826 3.380 1.00 0.83 H new ATOM 0 HG22 THR A 112 0.880 -10.246 2.224 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.822 -10.391 1.723 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.547 -12.783 -1.641 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.573 -12.568 -2.660 1.00 0.61 C ATOM 1753 C VAL A 113 -2.988 -12.531 -2.070 1.00 0.64 C ATOM 1754 O VAL A 113 -3.798 -11.703 -2.481 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.478 -13.611 -3.804 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.115 -14.940 -3.428 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -2.094 -13.058 -5.079 1.00 1.38 C ATOM 0 H VAL A 113 0.113 -13.528 -1.863 1.00 0.60 H new ATOM 0 HA VAL A 113 -1.376 -11.584 -3.086 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.420 -13.805 -3.979 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.023 -15.636 -4.261 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -1.610 -15.351 -2.554 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -3.169 -14.786 -3.199 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -2.019 -13.802 -5.872 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -3.143 -12.820 -4.903 1.00 1.38 H new ATOM 0 HG23 VAL A 113 -1.562 -12.155 -5.378 1.00 1.38 H new ATOM 1767 N PRO A 114 -3.324 -13.391 -1.092 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.639 -13.384 -0.486 1.00 0.70 C ATOM 1769 C PRO A 114 -4.702 -12.379 0.646 1.00 0.76 C ATOM 1770 O PRO A 114 -5.771 -11.878 0.994 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.797 -14.806 0.050 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.494 -15.498 -0.195 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.490 -14.427 -0.481 1.00 0.63 C ATOM 0 HA PRO A 114 -5.426 -13.103 -1.186 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -5.037 -14.796 1.113 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.612 -15.323 -0.456 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.197 -16.085 0.674 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.574 -16.189 -1.034 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.999 -14.074 0.426 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.706 -14.771 -1.155 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.532 -12.086 1.200 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.406 -11.131 2.284 1.00 0.95 C ATOM 1783 C HIS A 115 -4.153 -11.597 3.520 1.00 0.86 C ATOM 1784 O HIS A 115 -5.379 -11.711 3.513 1.00 0.88 O ATOM 1785 CB HIS A 115 -3.932 -9.776 1.838 1.00 1.14 C ATOM 1786 CG HIS A 115 -3.591 -8.665 2.782 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -2.292 -8.365 3.136 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -4.368 -7.777 3.442 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -2.287 -7.344 3.972 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -3.536 -6.967 4.174 1.00 3.97 N ATOM 0 H HIS A 115 -2.649 -12.504 0.909 1.00 0.82 H new ATOM 0 HA HIS A 115 -2.350 -11.046 2.542 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -3.526 -9.543 0.853 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -5.015 -9.832 1.731 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -1.463 -8.857 2.803 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -5.445 -7.716 3.401 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -1.411 -6.894 4.415 1.00 4.09 H new ATOM 1799 N TYR A 116 -3.412 -11.855 4.587 1.00 1.04 N ATOM 1800 CA TYR A 116 -4.023 -12.297 5.826 1.00 1.14 C ATOM 1801 C TYR A 116 -4.198 -11.125 6.780 1.00 1.04 C ATOM 1802 O TYR A 116 -3.248 -10.730 7.451 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.177 -13.391 6.489 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.117 -14.691 5.710 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -2.814 -14.705 4.353 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -3.364 -15.905 6.338 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -2.761 -15.892 3.646 1.00 4.05 C ATOM 1808 CE2 TYR A 116 -3.313 -17.095 5.637 1.00 3.50 C ATOM 1809 CZ TYR A 116 -3.010 -17.083 4.293 1.00 4.18 C ATOM 1810 OH TYR A 116 -2.959 -18.266 3.593 1.00 5.29 O ATOM 0 H TYR A 116 -2.396 -11.766 4.618 1.00 1.04 H new ATOM 0 HA TYR A 116 -5.004 -12.711 5.591 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -2.163 -13.016 6.627 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -3.579 -13.594 7.481 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -2.617 -13.774 3.843 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -3.600 -15.919 7.392 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -2.526 -15.886 2.592 1.00 4.05 H new ATOM 0 HE2 TYR A 116 -3.510 -18.030 6.140 1.00 3.50 H new ATOM 0 HH TYR A 116 -3.158 -19.012 4.197 1.00 5.29 H new ATOM 1820 N ASP A 117 -5.434 -10.603 6.812 1.00 0.77 N ATOM 1821 CA ASP A 117 -5.850 -9.469 7.665 1.00 0.80 C ATOM 1822 C ASP A 117 -6.493 -8.363 6.836 1.00 0.72 C ATOM 1823 O ASP A 117 -6.560 -7.211 7.268 1.00 0.82 O ATOM 1824 CB ASP A 117 -4.703 -8.878 8.500 1.00 1.03 C ATOM 1825 CG ASP A 117 -4.388 -9.709 9.731 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -5.309 -9.950 10.539 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -3.221 -10.127 9.881 1.00 2.22 O ATOM 0 H ASP A 117 -6.193 -10.963 6.233 1.00 0.77 H new ATOM 0 HA ASP A 117 -6.580 -9.883 8.361 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -3.810 -8.801 7.880 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -4.966 -7.866 8.807 1.00 1.03 H new ATOM 1832 N MET A 118 -6.977 -8.717 5.651 1.00 0.69 N ATOM 1833 CA MET A 118 -7.625 -7.745 4.776 1.00 0.72 C ATOM 1834 C MET A 118 -9.041 -7.439 5.254 1.00 0.71 C ATOM 1835 O MET A 118 -9.491 -6.296 5.193 1.00 0.73 O ATOM 1836 CB MET A 118 -7.631 -8.239 3.322 1.00 0.83 C ATOM 1837 CG MET A 118 -7.718 -9.752 3.185 1.00 1.15 C ATOM 1838 SD MET A 118 -9.248 -10.451 3.835 1.00 2.40 S ATOM 1839 CE MET A 118 -8.970 -12.197 3.552 1.00 3.10 C ATOM 0 H MET A 118 -6.934 -9.664 5.275 1.00 0.69 H new ATOM 0 HA MET A 118 -7.051 -6.819 4.816 1.00 0.72 H new ATOM 0 HB2 MET A 118 -8.474 -7.788 2.799 1.00 0.83 H new ATOM 0 HB3 MET A 118 -6.725 -7.891 2.827 1.00 0.83 H new ATOM 0 HG2 MET A 118 -7.625 -10.019 2.132 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.873 -10.204 3.704 1.00 1.15 H new ATOM 0 HE1 MET A 118 -9.832 -12.764 3.903 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.828 -12.375 2.486 1.00 3.10 H new ATOM 0 HE3 MET A 118 -8.080 -12.516 4.095 1.00 3.10 H new ATOM 1849 N LYS A 119 -9.724 -8.457 5.763 1.00 0.80 N ATOM 1850 CA LYS A 119 -11.077 -8.291 6.281 1.00 0.95 C ATOM 1851 C LYS A 119 -11.078 -7.291 7.427 1.00 0.99 C ATOM 1852 O LYS A 119 -12.129 -6.935 7.959 1.00 1.24 O ATOM 1853 CB LYS A 119 -11.616 -9.638 6.766 1.00 1.15 C ATOM 1854 CG LYS A 119 -10.668 -10.360 7.712 1.00 1.30 C ATOM 1855 CD LYS A 119 -11.258 -11.667 8.219 1.00 1.70 C ATOM 1856 CE LYS A 119 -12.501 -11.433 9.063 1.00 2.06 C ATOM 1857 NZ LYS A 119 -13.063 -12.708 9.590 1.00 2.67 N ATOM 0 H LYS A 119 -9.362 -9.409 5.828 1.00 0.80 H new ATOM 0 HA LYS A 119 -11.718 -7.915 5.483 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -12.570 -9.480 7.269 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -11.812 -10.275 5.903 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -9.727 -10.561 7.199 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -10.438 -9.713 8.559 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -11.508 -12.306 7.372 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -10.512 -12.198 8.810 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -12.256 -10.773 9.895 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -13.256 -10.924 8.464 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -13.548 -12.527 10.492 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -13.741 -13.098 8.904 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -12.293 -13.390 9.742 1.00 2.67 H new ATOM 1871 N ASN A 120 -9.884 -6.852 7.799 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.718 -5.898 8.882 1.00 1.04 C ATOM 1873 C ASN A 120 -9.035 -4.623 8.404 1.00 1.08 C ATOM 1874 O ASN A 120 -8.252 -4.024 9.143 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.891 -6.532 9.997 1.00 1.08 C ATOM 1876 CG ASN A 120 -9.666 -7.571 10.784 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -10.700 -7.272 11.381 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -9.167 -8.803 10.788 1.00 1.84 N ATOM 0 H ASN A 120 -9.010 -7.145 7.362 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.708 -5.632 9.253 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -8.004 -6.996 9.566 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -8.545 -5.752 10.675 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -9.644 -9.545 11.300 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -8.307 -9.006 10.279 1.00 1.84 H new ATOM 1885 N ARG A 121 -9.317 -4.203 7.171 1.00 0.93 N ATOM 1886 CA ARG A 121 -8.695 -2.994 6.645 1.00 1.06 C ATOM 1887 C ARG A 121 -9.343 -2.501 5.349 1.00 0.84 C ATOM 1888 O ARG A 121 -8.806 -2.692 4.257 1.00 0.87 O ATOM 1889 CB ARG A 121 -7.203 -3.236 6.423 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.906 -4.382 5.475 1.00 1.14 C ATOM 1891 CD ARG A 121 -5.415 -4.566 5.254 1.00 1.39 C ATOM 1892 NE ARG A 121 -4.751 -5.195 6.397 1.00 1.56 N ATOM 1893 CZ ARG A 121 -4.387 -4.547 7.503 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -4.532 -3.231 7.587 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -3.849 -5.213 8.516 1.00 2.04 N ATOM 0 H ARG A 121 -9.958 -4.672 6.531 1.00 0.93 H new ATOM 0 HA ARG A 121 -8.844 -2.211 7.388 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -6.751 -2.325 6.031 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -6.730 -3.439 7.384 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -7.329 -5.303 5.876 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -7.394 -4.197 4.518 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -5.256 -5.176 4.365 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -4.957 -3.596 5.061 1.00 1.39 H new ATOM 0 HE ARG A 121 -4.554 -6.194 6.343 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -4.924 -2.710 6.803 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -4.252 -2.740 8.436 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -3.714 -6.222 8.449 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -3.571 -4.716 9.362 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.473 -1.817 5.481 1.00 0.73 N ATOM 1910 CA GLY A 122 -11.139 -1.254 4.318 1.00 0.60 C ATOM 1911 C GLY A 122 -10.345 -0.091 3.768 1.00 0.57 C ATOM 1912 O GLY A 122 -10.714 0.507 2.755 1.00 0.59 O ATOM 0 H GLY A 122 -10.941 -1.641 6.370 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -11.254 -2.020 3.551 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -12.141 -0.922 4.590 1.00 0.60 H new ATOM 1916 N PHE A 123 -9.243 0.221 4.449 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.371 1.313 4.048 1.00 0.72 C ATOM 1918 C PHE A 123 -7.229 0.802 3.183 1.00 0.80 C ATOM 1919 O PHE A 123 -6.131 1.348 3.196 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.837 2.050 5.282 1.00 0.84 C ATOM 1921 CG PHE A 123 -7.207 1.162 6.322 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -6.039 0.467 6.057 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -7.790 1.032 7.573 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -5.462 -0.340 7.020 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -7.219 0.224 8.538 1.00 1.49 C ATOM 1926 CZ PHE A 123 -6.052 -0.461 8.262 1.00 1.98 C ATOM 0 H PHE A 123 -8.935 -0.274 5.286 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.951 2.018 3.453 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -7.101 2.786 4.958 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -8.657 2.601 5.743 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.573 0.556 5.087 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -8.701 1.568 7.796 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -4.550 -0.875 6.801 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -7.685 0.128 9.507 1.00 1.49 H new ATOM 0 HZ PHE A 123 -5.602 -1.090 9.016 1.00 1.98 H new ATOM 1936 N MET A 124 -7.515 -0.250 2.429 1.00 0.62 N ATOM 1937 CA MET A 124 -6.546 -0.860 1.526 1.00 0.68 C ATOM 1938 C MET A 124 -7.286 -1.680 0.482 1.00 0.64 C ATOM 1939 O MET A 124 -6.857 -1.790 -0.671 1.00 0.68 O ATOM 1940 CB MET A 124 -5.562 -1.760 2.290 1.00 0.80 C ATOM 1941 CG MET A 124 -4.610 -1.005 3.204 1.00 1.00 C ATOM 1942 SD MET A 124 -3.459 -2.091 4.070 1.00 1.91 S ATOM 1943 CE MET A 124 -2.536 -0.901 5.041 1.00 2.23 C ATOM 0 H MET A 124 -8.427 -0.706 2.425 1.00 0.62 H new ATOM 0 HA MET A 124 -5.973 -0.068 1.045 1.00 0.68 H new ATOM 0 HB2 MET A 124 -6.129 -2.476 2.885 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.979 -2.335 1.571 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.046 -0.282 2.615 1.00 1.00 H new ATOM 0 HG3 MET A 124 -5.188 -0.440 3.935 1.00 1.00 H new ATOM 0 HE1 MET A 124 -2.226 -1.360 5.980 1.00 2.23 H new ATOM 0 HE2 MET A 124 -1.654 -0.583 4.485 1.00 2.23 H new ATOM 0 HE3 MET A 124 -3.165 -0.036 5.250 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.410 -2.248 0.902 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.233 -3.064 0.039 1.00 0.62 C ATOM 1955 C LEU A 125 -10.153 -2.203 -0.822 1.00 0.56 C ATOM 1956 O LEU A 125 -10.322 -2.461 -2.014 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.036 -4.046 0.889 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.203 -5.013 1.734 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -10.111 -5.991 2.454 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.191 -5.756 0.871 1.00 1.16 C ATOM 0 H LEU A 125 -8.770 -2.152 1.851 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.589 -3.623 -0.640 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.688 -3.478 1.553 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -10.681 -4.628 0.231 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.651 -4.436 2.476 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -9.508 -6.674 3.052 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -10.792 -5.443 3.105 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -10.686 -6.559 1.723 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.611 -6.437 1.494 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -8.716 -6.325 0.103 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.521 -5.039 0.397 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.735 -1.174 -0.218 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.624 -0.272 -0.936 1.00 0.48 C ATOM 1974 C TRP A 126 -10.848 0.533 -1.981 1.00 0.47 C ATOM 1975 O TRP A 126 -11.225 0.554 -3.150 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.350 0.646 0.050 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.858 1.911 -0.554 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -12.652 3.157 -0.068 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.651 2.058 -1.739 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -13.272 4.086 -0.870 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.887 3.434 -1.908 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -14.181 1.164 -2.673 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.631 3.937 -2.972 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.919 1.664 -3.729 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -15.138 3.040 -3.872 1.00 3.03 C ATOM 0 H TRP A 126 -10.607 -0.944 0.767 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.373 -0.861 -1.465 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -13.188 0.102 0.486 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.671 0.893 0.866 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -12.083 3.388 0.821 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -13.274 5.095 -0.718 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -14.017 0.101 -2.571 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -14.802 4.998 -3.083 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.334 0.982 -4.456 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.718 3.400 -4.709 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.744 1.201 -1.596 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.941 1.972 -2.545 1.00 0.54 C ATOM 1998 C PRO A 127 -8.550 1.127 -3.754 1.00 0.53 C ATOM 1999 O PRO A 127 -8.705 1.550 -4.901 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.696 2.364 -1.738 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.728 1.504 -0.520 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.178 1.261 -0.241 1.00 0.55 C ATOM 0 HA PRO A 127 -9.481 2.831 -2.943 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.786 2.197 -2.314 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.716 3.421 -1.473 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.198 0.566 -0.687 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.244 1.998 0.322 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.338 0.334 0.309 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.620 2.063 0.351 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.054 -0.080 -3.486 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.658 -0.996 -4.543 1.00 0.56 C ATOM 2012 C LEU A 128 -8.889 -1.492 -5.290 1.00 0.54 C ATOM 2013 O LEU A 128 -8.791 -1.950 -6.427 1.00 0.61 O ATOM 2014 CB LEU A 128 -6.885 -2.177 -3.956 1.00 0.63 C ATOM 2015 CG LEU A 128 -6.180 -3.064 -4.981 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -5.096 -2.277 -5.705 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.590 -4.291 -4.304 1.00 1.55 C ATOM 0 H LEU A 128 -7.918 -0.443 -2.542 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.010 -0.468 -5.243 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.141 -1.793 -3.258 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.575 -2.793 -3.380 1.00 0.63 H new ATOM 0 HG LEU A 128 -6.913 -3.397 -5.716 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -4.602 -2.922 -6.432 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.545 -1.427 -6.219 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -4.363 -1.918 -4.982 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -5.091 -4.912 -5.048 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -4.868 -3.978 -3.549 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -6.387 -4.863 -3.829 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.055 -1.384 -4.648 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.306 -1.808 -5.271 1.00 0.51 C ATOM 2031 C PHE A 129 -11.516 -1.011 -6.549 1.00 0.53 C ATOM 2032 O PHE A 129 -11.828 -1.569 -7.601 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.494 -1.611 -4.321 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.802 -2.125 -4.860 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.522 -1.395 -5.795 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -14.317 -3.334 -4.420 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -15.728 -1.866 -6.280 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -15.521 -3.810 -4.904 1.00 0.71 C ATOM 2039 CZ PHE A 129 -16.207 -3.075 -5.878 1.00 0.75 C ATOM 0 H PHE A 129 -10.156 -1.009 -3.705 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.243 -2.871 -5.503 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.279 -2.114 -3.378 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.597 -0.549 -4.100 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.137 -0.450 -6.147 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -13.770 -3.912 -3.689 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.293 -1.271 -6.982 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -15.928 -4.739 -4.534 1.00 0.71 H new ATOM 0 HZ PHE A 129 -17.116 -3.467 -6.310 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.308 0.301 -6.454 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.438 1.176 -7.608 1.00 0.49 C ATOM 2051 C GLU A 130 -10.420 0.759 -8.656 1.00 0.53 C ATOM 2052 O GLU A 130 -10.739 0.643 -9.840 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.225 2.638 -7.210 1.00 0.54 C ATOM 2054 CG GLU A 130 -11.344 3.611 -8.373 1.00 0.99 C ATOM 2055 CD GLU A 130 -12.706 3.564 -9.038 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.713 3.839 -8.351 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -12.767 3.253 -10.246 1.00 2.04 O ATOM 0 H GLU A 130 -11.049 0.777 -5.590 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.445 1.087 -8.016 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -11.954 2.907 -6.446 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.238 2.743 -6.759 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -11.153 4.623 -8.016 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -10.575 3.384 -9.112 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.196 0.503 -8.195 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.125 0.057 -9.072 1.00 0.56 C ATOM 2066 C ILE A 131 -8.600 -1.131 -9.898 1.00 0.52 C ATOM 2067 O ILE A 131 -8.389 -1.193 -11.110 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.883 -0.362 -8.257 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.365 0.808 -7.416 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -5.794 -0.893 -9.175 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -5.934 2.012 -8.230 1.00 1.41 C ATOM 0 H ILE A 131 -8.926 0.599 -7.216 1.00 0.48 H new ATOM 0 HA ILE A 131 -7.854 0.885 -9.727 1.00 0.56 H new ATOM 0 HB ILE A 131 -7.175 -1.163 -7.577 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.145 1.114 -6.719 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -5.520 0.466 -6.818 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -4.927 -1.183 -8.581 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.168 -1.760 -9.719 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -5.505 -0.117 -9.884 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.580 2.796 -7.561 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -5.131 1.724 -8.908 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -6.781 2.383 -8.808 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.260 -2.069 -9.219 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.793 -3.265 -9.858 1.00 0.58 C ATOM 2085 C ALA A 132 -10.598 -4.097 -8.857 1.00 0.56 C ATOM 2086 O ALA A 132 -10.040 -4.670 -7.921 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.673 -4.091 -10.470 1.00 0.73 C ATOM 0 H ALA A 132 -9.438 -2.019 -8.216 1.00 0.53 H new ATOM 0 HA ALA A 132 -10.463 -2.956 -10.660 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -9.092 -4.980 -10.942 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -8.149 -3.496 -11.218 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.974 -4.391 -9.689 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.932 -4.160 -9.037 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.829 -4.903 -8.158 1.00 0.66 C ATOM 2095 C PRO A 133 -12.897 -6.381 -8.520 1.00 0.88 C ATOM 2096 O PRO A 133 -13.948 -6.887 -8.912 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.198 -4.238 -8.392 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.984 -3.191 -9.445 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.675 -3.506 -10.108 1.00 0.81 C ATOM 0 HA PRO A 133 -12.495 -4.872 -7.121 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.936 -4.971 -8.717 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.576 -3.792 -7.472 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.797 -3.200 -10.171 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -13.964 -2.195 -9.002 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.803 -4.159 -10.971 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.171 -2.606 -10.461 1.00 0.81 H new ATOM 2107 N GLU A 134 -11.770 -7.069 -8.389 1.00 0.90 N ATOM 2108 CA GLU A 134 -11.707 -8.488 -8.707 1.00 1.12 C ATOM 2109 C GLU A 134 -10.527 -9.149 -8.011 1.00 1.08 C ATOM 2110 O GLU A 134 -10.363 -10.368 -8.075 1.00 1.25 O ATOM 2111 CB GLU A 134 -11.604 -8.687 -10.221 1.00 1.34 C ATOM 2112 CG GLU A 134 -10.424 -7.963 -10.851 1.00 1.87 C ATOM 2113 CD GLU A 134 -10.344 -8.169 -12.352 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -11.210 -8.884 -12.899 1.00 2.61 O ATOM 2115 OE2 GLU A 134 -9.416 -7.617 -12.980 1.00 2.50 O ATOM 0 H GLU A 134 -10.890 -6.668 -8.066 1.00 0.90 H new ATOM 0 HA GLU A 134 -12.623 -8.958 -8.348 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.522 -9.753 -10.434 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.525 -8.339 -10.688 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -10.502 -6.897 -10.638 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -9.500 -8.313 -10.391 1.00 1.87 H new ATOM 2122 N LEU A 135 -9.701 -8.344 -7.350 1.00 0.99 N ATOM 2123 CA LEU A 135 -8.533 -8.874 -6.654 1.00 1.03 C ATOM 2124 C LEU A 135 -8.913 -9.548 -5.342 1.00 1.50 C ATOM 2125 O LEU A 135 -10.092 -9.717 -5.043 1.00 2.32 O ATOM 2126 CB LEU A 135 -7.489 -7.788 -6.409 1.00 1.00 C ATOM 2127 CG LEU A 135 -6.750 -7.322 -7.661 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.173 -8.512 -8.414 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -7.676 -6.519 -8.557 1.00 2.26 C ATOM 0 H LEU A 135 -9.816 -7.333 -7.281 1.00 0.99 H new ATOM 0 HA LEU A 135 -8.095 -9.630 -7.306 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.979 -6.929 -5.951 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -6.759 -8.160 -5.690 1.00 1.00 H new ATOM 0 HG LEU A 135 -5.925 -6.678 -7.355 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.650 -8.161 -9.303 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -5.475 -9.047 -7.770 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -6.980 -9.182 -8.709 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -7.133 -6.195 -9.445 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -8.521 -7.139 -8.855 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -8.040 -5.646 -8.015 1.00 2.26 H new ATOM 2141 N VAL A 136 -7.892 -9.972 -4.595 1.00 1.65 N ATOM 2142 CA VAL A 136 -8.075 -10.684 -3.332 1.00 2.11 C ATOM 2143 C VAL A 136 -8.570 -12.099 -3.612 1.00 1.98 C ATOM 2144 O VAL A 136 -8.544 -12.973 -2.744 1.00 2.82 O ATOM 2145 CB VAL A 136 -9.032 -9.954 -2.375 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -9.282 -10.788 -1.131 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -8.458 -8.599 -1.997 1.00 3.66 C ATOM 0 H VAL A 136 -6.915 -9.831 -4.850 1.00 1.65 H new ATOM 0 HA VAL A 136 -7.108 -10.724 -2.831 1.00 2.11 H new ATOM 0 HB VAL A 136 -9.984 -9.803 -2.883 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -9.961 -10.255 -0.466 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -9.727 -11.742 -1.416 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -8.338 -10.967 -0.617 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -9.143 -8.090 -1.319 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -7.495 -8.736 -1.505 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -8.323 -7.997 -2.896 1.00 3.66 H new ATOM 2157 N PHE A 137 -8.986 -12.307 -4.860 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.464 -13.603 -5.338 1.00 1.66 C ATOM 2159 C PHE A 137 -8.666 -14.764 -4.735 1.00 1.18 C ATOM 2160 O PHE A 137 -9.269 -15.748 -4.308 1.00 1.57 O ATOM 2161 CB PHE A 137 -9.389 -13.660 -6.864 1.00 2.23 C ATOM 2162 CG PHE A 137 -9.987 -14.906 -7.455 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -11.255 -15.323 -7.084 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -9.280 -15.660 -8.379 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -11.809 -16.468 -7.624 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -9.829 -16.807 -8.922 1.00 4.85 C ATOM 2167 CZ PHE A 137 -11.087 -17.211 -8.552 1.00 5.09 C ATOM 0 H PHE A 137 -9.001 -11.577 -5.572 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.500 -13.709 -5.017 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.902 -12.791 -7.276 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.345 -13.589 -7.170 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -11.817 -14.746 -6.364 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -8.290 -15.348 -8.678 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -12.798 -16.784 -7.327 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -9.266 -17.386 -9.639 1.00 4.85 H new ATOM 0 HZ PHE A 137 -11.516 -18.105 -8.981 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.304 -14.665 -4.679 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.438 -15.691 -4.112 1.00 0.92 C ATOM 2179 C PRO A 138 -7.195 -16.641 -3.189 1.00 1.20 C ATOM 2180 O PRO A 138 -7.223 -17.852 -3.407 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.443 -14.809 -3.358 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.229 -13.654 -4.287 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.476 -13.540 -5.142 1.00 1.44 C ATOM 0 HA PRO A 138 -5.987 -16.366 -4.839 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -5.842 -14.483 -2.398 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.512 -15.338 -3.153 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.059 -12.734 -3.727 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -4.348 -13.816 -4.908 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -6.978 -12.584 -4.996 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.245 -13.620 -6.204 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.849 -16.062 -2.192 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.670 -16.814 -1.246 1.00 1.62 C ATOM 2193 C ASP A 139 -9.340 -15.855 -0.271 1.00 1.65 C ATOM 2194 O ASP A 139 -9.348 -16.076 0.941 1.00 2.28 O ATOM 2195 CB ASP A 139 -7.853 -17.878 -0.502 1.00 2.26 C ATOM 2196 CG ASP A 139 -6.682 -17.310 0.269 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -6.918 -16.492 1.182 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -5.529 -17.673 -0.043 1.00 3.67 O ATOM 0 H ASP A 139 -7.827 -15.058 -2.014 1.00 1.07 H new ATOM 0 HA ASP A 139 -9.439 -17.344 -1.808 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -8.508 -18.411 0.188 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.484 -18.610 -1.221 1.00 2.26 H new ATOM 2203 N GLY A 140 -9.899 -14.779 -0.820 1.00 1.25 N ATOM 2204 CA GLY A 140 -10.558 -13.783 -0.004 1.00 1.72 C ATOM 2205 C GLY A 140 -11.659 -13.048 -0.742 1.00 1.31 C ATOM 2206 O GLY A 140 -12.231 -12.096 -0.208 1.00 1.85 O ATOM 0 H GLY A 140 -9.905 -14.582 -1.821 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -10.978 -14.265 0.879 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -9.820 -13.062 0.347 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.935 -13.470 -1.979 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.953 -12.837 -2.809 1.00 0.94 C ATOM 2212 C GLU A 141 -12.408 -11.528 -3.328 1.00 0.82 C ATOM 2213 O GLU A 141 -11.309 -11.483 -3.872 1.00 1.19 O ATOM 2214 CB GLU A 141 -14.240 -12.578 -2.020 1.00 1.56 C ATOM 2215 CG GLU A 141 -14.750 -13.784 -1.255 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.863 -15.023 -2.124 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -15.620 -14.986 -3.116 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -14.195 -16.030 -1.808 1.00 2.47 O ATOM 0 H GLU A 141 -11.461 -14.254 -2.427 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.197 -13.507 -3.634 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -14.065 -11.763 -1.318 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -15.015 -12.244 -2.710 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.080 -13.990 -0.421 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -15.727 -13.553 -0.830 1.00 1.38 H new ATOM 2225 N MET A 142 -13.151 -10.454 -3.121 1.00 0.57 N ATOM 2226 CA MET A 142 -12.697 -9.153 -3.532 1.00 0.54 C ATOM 2227 C MET A 142 -12.452 -8.294 -2.315 1.00 0.58 C ATOM 2228 O MET A 142 -13.125 -8.420 -1.294 1.00 0.92 O ATOM 2229 CB MET A 142 -13.660 -8.498 -4.506 1.00 0.57 C ATOM 2230 CG MET A 142 -13.599 -9.134 -5.871 1.00 0.67 C ATOM 2231 SD MET A 142 -14.581 -10.642 -5.985 1.00 1.32 S ATOM 2232 CE MET A 142 -14.259 -11.130 -7.678 1.00 1.58 C ATOM 0 H MET A 142 -14.067 -10.465 -2.672 1.00 0.57 H new ATOM 0 HA MET A 142 -11.756 -9.267 -4.070 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.675 -8.571 -4.117 1.00 0.57 H new ATOM 0 HB3 MET A 142 -13.426 -7.437 -4.589 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.951 -8.420 -6.615 1.00 0.67 H new ATOM 0 HG3 MET A 142 -12.561 -9.363 -6.114 1.00 0.67 H new ATOM 0 HE1 MET A 142 -14.799 -12.050 -7.900 1.00 1.58 H new ATOM 0 HE2 MET A 142 -14.592 -10.342 -8.353 1.00 1.58 H new ATOM 0 HE3 MET A 142 -13.190 -11.295 -7.812 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.442 -7.469 -2.432 1.00 0.55 N ATOM 2243 CA LEU A 143 -11.007 -6.605 -1.350 1.00 0.62 C ATOM 2244 C LEU A 143 -12.169 -5.994 -0.554 1.00 0.56 C ATOM 2245 O LEU A 143 -12.402 -6.375 0.593 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.089 -5.488 -1.893 1.00 0.76 C ATOM 2247 CG LEU A 143 -10.119 -5.202 -3.407 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -9.399 -6.289 -4.185 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -11.541 -5.037 -3.918 1.00 1.70 C ATOM 0 H LEU A 143 -10.891 -7.373 -3.285 1.00 0.55 H new ATOM 0 HA LEU A 143 -10.452 -7.236 -0.656 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.343 -4.564 -1.373 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.063 -5.736 -1.620 1.00 0.76 H new ATOM 0 HG LEU A 143 -9.594 -4.260 -3.566 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -9.437 -6.060 -5.250 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -8.359 -6.340 -3.861 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -9.883 -7.248 -4.003 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -11.522 -4.837 -4.989 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -12.104 -5.951 -3.730 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -12.019 -4.204 -3.402 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.863 -5.035 -1.137 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.958 -4.352 -0.453 1.00 0.52 C ATOM 2263 C ARG A 144 -15.082 -5.274 0.022 1.00 0.61 C ATOM 2264 O ARG A 144 -15.808 -4.914 0.932 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.530 -3.237 -1.319 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.561 -2.389 -0.595 1.00 0.58 C ATOM 2267 CD ARG A 144 -16.239 -1.398 -1.525 1.00 0.85 C ATOM 2268 NE ARG A 144 -17.099 -2.059 -2.503 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.850 -1.405 -3.384 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.839 -0.080 -3.417 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.617 -2.078 -4.232 1.00 2.16 N ATOM 0 H ARG A 144 -12.691 -4.706 -2.087 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.511 -3.932 0.448 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.717 -2.597 -1.660 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.986 -3.673 -2.208 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.313 -3.038 -0.146 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -15.079 -1.849 0.220 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -16.832 -0.698 -0.937 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.481 -0.814 -2.046 1.00 0.85 H new ATOM 0 HE ARG A 144 -17.125 -3.079 -2.511 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.253 0.442 -2.765 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.417 0.418 -4.094 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.631 -3.098 -4.208 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -19.193 -1.576 -4.908 1.00 2.16 H new ATOM 2285 N GLN A 145 -15.251 -6.451 -0.554 1.00 0.76 N ATOM 2286 CA GLN A 145 -16.322 -7.327 -0.074 1.00 0.92 C ATOM 2287 C GLN A 145 -16.032 -7.687 1.362 1.00 0.89 C ATOM 2288 O GLN A 145 -16.896 -7.633 2.237 1.00 0.97 O ATOM 2289 CB GLN A 145 -16.412 -8.612 -0.888 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.928 -8.442 -2.296 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.731 -7.418 -3.054 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.131 -6.261 -3.269 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.885 -7.650 -3.419 1.00 1.87 N flip ATOM 0 H GLN A 145 -14.690 -6.818 -1.323 1.00 0.76 H new ATOM 0 HA GLN A 145 -17.269 -6.797 -0.173 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -15.825 -9.389 -0.398 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -17.446 -8.956 -0.903 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -14.880 -8.143 -2.284 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -15.981 -9.399 -2.815 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -18.306 -8.559 -3.230 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.419 -6.933 -3.910 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.783 -8.046 1.581 1.00 0.85 N ATOM 2303 CA ILE A 146 -14.304 -8.427 2.891 1.00 0.90 C ATOM 2304 C ILE A 146 -14.295 -7.233 3.837 1.00 0.85 C ATOM 2305 O ILE A 146 -14.470 -7.395 5.041 1.00 1.01 O ATOM 2306 CB ILE A 146 -12.872 -8.988 2.831 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.484 -9.356 1.402 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -12.750 -10.204 3.735 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -11.004 -9.578 1.232 1.00 1.06 C ATOM 0 H ILE A 146 -14.071 -8.081 0.852 1.00 0.85 H new ATOM 0 HA ILE A 146 -14.985 -9.196 3.256 1.00 0.90 H new ATOM 0 HB ILE A 146 -12.189 -8.213 3.178 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -13.017 -10.260 1.108 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.806 -8.562 0.728 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -11.733 -10.594 3.686 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -12.980 -9.919 4.762 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -13.449 -10.973 3.407 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.792 -9.837 0.195 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.467 -8.667 1.496 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -10.681 -10.391 1.882 1.00 1.06 H new ATOM 2321 N LEU A 147 -14.056 -6.035 3.298 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.992 -4.839 4.140 1.00 0.75 C ATOM 2323 C LEU A 147 -15.366 -4.197 4.331 1.00 0.71 C ATOM 2324 O LEU A 147 -15.776 -3.909 5.450 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.007 -3.825 3.546 1.00 0.92 C ATOM 2326 CG LEU A 147 -13.604 -2.815 2.562 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -14.226 -1.646 3.301 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -12.555 -2.312 1.606 1.00 1.66 C ATOM 0 H LEU A 147 -13.906 -5.869 2.303 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.639 -5.149 5.124 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -12.543 -3.275 4.365 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -12.213 -4.373 3.039 1.00 0.92 H new ATOM 0 HG LEU A 147 -14.381 -3.326 1.993 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -14.644 -0.942 2.582 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -15.019 -2.009 3.955 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -13.464 -1.146 3.898 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.004 -1.596 0.917 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -11.756 -1.826 2.166 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.145 -3.150 1.042 1.00 1.66 H new ATOM 2340 N HIS A 148 -16.054 -3.947 3.229 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.365 -3.309 3.262 1.00 0.76 C ATOM 2342 C HIS A 148 -18.297 -4.059 4.198 1.00 0.83 C ATOM 2343 O HIS A 148 -19.266 -3.501 4.712 1.00 0.92 O ATOM 2344 CB HIS A 148 -17.957 -3.262 1.852 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.182 -2.406 1.720 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.909 -2.316 0.550 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -19.806 -1.596 2.611 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -20.924 -1.488 0.728 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -20.884 -1.039 1.967 1.00 1.19 N ATOM 0 H HIS A 148 -15.725 -4.178 2.292 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.250 -2.291 3.633 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.196 -2.894 1.164 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.203 -4.277 1.541 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.511 -1.422 3.635 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.661 -1.224 -0.016 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.547 -0.383 2.381 1.00 1.19 H new ATOM 2358 N THR A 149 -18.003 -5.333 4.408 1.00 0.86 N ATOM 2359 CA THR A 149 -18.824 -6.159 5.267 1.00 0.97 C ATOM 2360 C THR A 149 -18.144 -6.444 6.611 1.00 1.00 C ATOM 2361 O THR A 149 -18.825 -6.654 7.615 1.00 1.13 O ATOM 2362 CB THR A 149 -19.148 -7.475 4.555 1.00 1.02 C ATOM 2363 OG1 THR A 149 -17.999 -8.299 4.484 1.00 1.35 O ATOM 2364 CG2 THR A 149 -19.656 -7.276 3.137 1.00 1.48 C ATOM 0 H THR A 149 -17.203 -5.813 3.995 1.00 0.86 H new ATOM 0 HA THR A 149 -19.744 -5.613 5.476 1.00 0.97 H new ATOM 0 HB THR A 149 -19.935 -7.942 5.147 1.00 1.02 H new ATOM 0 HG1 THR A 149 -17.733 -8.410 3.547 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.868 -8.246 2.687 1.00 1.48 H new ATOM 0 HG22 THR A 149 -20.568 -6.679 3.158 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.898 -6.760 2.548 1.00 1.48 H new ATOM 2372 N ARG A 150 -16.808 -6.491 6.631 1.00 0.91 N ATOM 2373 CA ARG A 150 -16.096 -6.801 7.873 1.00 0.97 C ATOM 2374 C ARG A 150 -15.199 -5.668 8.400 1.00 0.97 C ATOM 2375 O ARG A 150 -14.388 -5.911 9.297 1.00 1.16 O ATOM 2376 CB ARG A 150 -15.262 -8.069 7.689 1.00 1.01 C ATOM 2377 CG ARG A 150 -16.064 -9.254 7.168 1.00 1.12 C ATOM 2378 CD ARG A 150 -17.204 -9.621 8.107 1.00 1.43 C ATOM 2379 NE ARG A 150 -16.724 -10.043 9.419 1.00 1.84 N ATOM 2380 CZ ARG A 150 -15.986 -11.132 9.620 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -15.659 -11.916 8.602 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -15.579 -11.440 10.844 1.00 2.86 N ATOM 0 H ARG A 150 -16.210 -6.323 5.822 1.00 0.91 H new ATOM 0 HA ARG A 150 -16.870 -6.944 8.627 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -14.446 -7.860 6.997 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -14.809 -8.338 8.643 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -16.466 -9.016 6.183 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -15.405 -10.113 7.044 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -17.867 -8.764 8.223 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -17.794 -10.423 7.663 1.00 1.43 H new ATOM 0 HE ARG A 150 -16.968 -9.471 10.228 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -15.973 -11.686 7.659 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -15.093 -12.750 8.761 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -15.832 -10.842 11.631 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -15.013 -12.275 10.998 1.00 2.86 H new ATOM 2396 N ALA A 151 -15.319 -4.446 7.880 1.00 0.88 N ATOM 2397 CA ALA A 151 -14.485 -3.356 8.363 1.00 0.91 C ATOM 2398 C ALA A 151 -15.263 -2.055 8.378 1.00 0.92 C ATOM 2399 O ALA A 151 -15.912 -1.716 9.368 1.00 1.18 O ATOM 2400 CB ALA A 151 -13.232 -3.227 7.509 1.00 0.89 C ATOM 0 H ALA A 151 -15.973 -4.193 7.139 1.00 0.88 H new ATOM 0 HA ALA A 151 -14.181 -3.580 9.385 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.619 -2.407 7.884 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -12.663 -4.156 7.555 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.515 -3.026 6.476 1.00 0.89 H new ATOM 2406 N PHE A 152 -15.198 -1.328 7.273 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.900 -0.067 7.153 1.00 0.99 C ATOM 2408 C PHE A 152 -16.756 -0.047 5.897 1.00 0.88 C ATOM 2409 O PHE A 152 -17.071 -1.094 5.332 1.00 1.32 O ATOM 2410 CB PHE A 152 -14.908 1.087 7.114 1.00 1.26 C ATOM 2411 CG PHE A 152 -14.320 1.444 8.451 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -13.589 0.508 9.165 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -14.495 2.706 8.993 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -13.042 0.826 10.394 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -13.951 3.030 10.222 1.00 3.27 C ATOM 2416 CZ PHE A 152 -13.240 2.117 10.921 1.00 3.92 C ATOM 0 H PHE A 152 -14.663 -1.594 6.446 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.548 0.045 8.022 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -14.098 0.831 6.431 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -15.406 1.965 6.703 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -13.445 -0.481 8.757 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -15.063 3.446 8.449 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -12.470 0.093 10.944 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -14.095 4.021 10.627 1.00 3.27 H new ATOM 0 HZ PHE A 152 -12.824 2.377 11.883 1.00 3.92 H new ATOM 2426 N ASP A 153 -17.118 1.151 5.457 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.926 1.301 4.259 1.00 1.10 C ATOM 2428 C ASP A 153 -17.026 1.608 3.066 1.00 1.14 C ATOM 2429 O ASP A 153 -17.058 0.902 2.059 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.969 2.405 4.451 1.00 1.43 C ATOM 2431 CG ASP A 153 -20.009 2.426 3.346 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -20.641 1.378 3.102 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -20.179 3.488 2.713 1.00 2.80 O ATOM 0 H ASP A 153 -16.865 2.029 5.911 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.456 0.368 4.068 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.467 2.266 5.411 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.466 3.371 4.490 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.205 2.656 3.199 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.273 3.044 2.141 1.00 0.78 C ATOM 2440 C LYS A 154 -14.509 4.319 2.508 1.00 0.91 C ATOM 2441 O LYS A 154 -13.941 4.981 1.640 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.007 3.244 0.808 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.718 4.581 0.674 1.00 0.86 C ATOM 2444 CD LYS A 154 -17.758 4.787 1.763 1.00 1.03 C ATOM 2445 CE LYS A 154 -18.450 6.133 1.622 1.00 1.54 C ATOM 2446 NZ LYS A 154 -19.135 6.271 0.308 1.00 2.17 N ATOM 0 H LYS A 154 -16.169 3.248 4.029 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.555 2.231 2.031 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -15.289 3.146 -0.006 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -16.738 2.444 0.687 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.985 5.387 0.716 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -17.199 4.639 -0.302 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -18.499 3.989 1.716 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -17.281 4.722 2.741 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -19.178 6.253 2.425 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -17.717 6.932 1.735 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -19.783 7.084 0.338 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -18.427 6.420 -0.439 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -19.675 5.405 0.105 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.492 4.660 3.795 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.792 5.858 4.262 1.00 0.61 C ATOM 2462 C LEU A 155 -14.138 7.069 3.389 1.00 0.68 C ATOM 2463 O LEU A 155 -15.152 7.065 2.690 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.279 5.621 4.255 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.794 4.417 5.075 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.277 4.357 5.071 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.322 4.488 6.499 1.00 1.23 C ATOM 0 H LEU A 155 -14.953 4.127 4.532 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.116 6.067 5.282 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.954 5.490 3.223 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.787 6.517 4.632 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.180 3.507 4.615 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -9.945 3.499 5.656 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.920 4.258 4.046 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.876 5.271 5.508 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.966 3.625 7.062 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.967 5.403 6.974 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.412 4.487 6.483 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.294 8.104 3.421 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.532 9.293 2.616 1.00 0.77 C ATOM 2481 C ASN A 156 -12.328 9.606 1.732 1.00 0.65 C ATOM 2482 O ASN A 156 -11.249 9.924 2.229 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.886 10.497 3.503 1.00 1.04 C ATOM 2484 CG ASN A 156 -12.867 10.791 4.598 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -11.788 10.018 4.658 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -13.052 11.718 5.386 1.00 2.12 N flip ATOM 0 H ASN A 156 -12.449 8.138 3.992 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.383 9.091 1.966 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -13.989 11.380 2.872 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.857 10.320 3.965 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -13.892 12.291 5.311 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -12.365 11.913 6.114 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.516 9.520 0.418 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.434 9.808 -0.513 1.00 0.64 C ATOM 2495 C LYS A 157 -10.971 11.243 -0.339 1.00 0.68 C ATOM 2496 O LYS A 157 -11.490 12.160 -0.976 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.865 9.558 -1.957 1.00 0.79 C ATOM 2498 CG LYS A 157 -12.149 8.097 -2.257 1.00 0.96 C ATOM 2499 CD LYS A 157 -10.933 7.229 -1.971 1.00 1.67 C ATOM 2500 CE LYS A 157 -11.224 5.764 -2.229 1.00 1.70 C ATOM 2501 NZ LYS A 157 -10.098 4.892 -1.793 1.00 2.51 N ATOM 0 H LYS A 157 -13.398 9.256 -0.021 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.605 9.136 -0.293 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.759 10.145 -2.168 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -11.084 9.914 -2.628 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -12.991 7.757 -1.655 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -12.439 7.988 -3.302 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -10.100 7.551 -2.595 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -10.625 7.363 -0.934 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -12.133 5.475 -1.701 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -11.411 5.612 -3.292 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -10.096 4.019 -2.358 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -9.197 5.394 -1.929 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -10.213 4.654 -0.787 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.997 11.419 0.544 1.00 0.73 N ATOM 2516 CA TRP A 158 -9.448 12.729 0.847 1.00 0.83 C ATOM 2517 C TRP A 158 -10.558 13.757 1.062 1.00 1.08 C ATOM 2518 O TRP A 158 -10.908 14.467 0.095 1.00 1.47 O ATOM 2519 CB TRP A 158 -8.509 13.187 -0.275 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.904 14.539 -0.047 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -7.226 14.958 1.061 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -7.929 15.653 -0.947 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -6.824 16.262 0.904 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -7.244 16.711 -0.320 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -8.462 15.858 -2.223 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -7.078 17.954 -0.926 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -8.297 17.092 -2.822 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -7.610 18.127 -2.175 1.00 2.95 C ATOM 2529 OXT TRP A 158 -11.073 13.841 2.197 1.00 1.75 O ATOM 0 H TRP A 158 -9.567 10.657 1.069 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.879 12.649 1.773 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.708 12.456 -0.386 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -9.061 13.201 -1.215 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -7.034 14.352 1.934 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -6.298 16.807 1.587 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -8.993 15.067 -2.731 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -6.548 18.753 -0.428 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -8.705 17.262 -3.807 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -7.498 19.080 -2.671 1.00 2.95 H new