USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1346 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 114 CYS SG : rot 20:sc= -0.315 USER MOD Set 1.2: A 120 GLN : amide:sc= -3.05 K(o=-3.4,f=-1.1!) USER MOD Set 2.1: A 106 GLN : amide:sc= -3.91! C(o=-5.3!,f=-8.6!) USER MOD Set 2.2: A 108 TYR OH : rot 71:sc= -1.34! USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 8 SER OG : rot -137:sc= -0.746! USER MOD Set 4.2: A 10 TYR OH : rot 180:sc= 0.378 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.928 X(o=-0.93,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 20 TYR OH : rot 73:sc= 0.612 USER MOD Single : A 22 CYS SG : rot -103:sc= 1.18 USER MOD Single : A 24 CYS SG : rot -64:sc= -1.89! USER MOD Single : A 26 CYS SG : rot 160:sc= -0.793 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0519 USER MOD Single : A 36 CYS SG : rot -4:sc= -0.315 USER MOD Single : A 37 ASN : amide:sc= -5.1! C(o=-5.1!,f=-5.4!) USER MOD Single : A 38 SER OG : rot -124:sc= 0.365 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 55 SER OG : rot -78:sc= 1.27 USER MOD Single : A 57 HIS : no HD1:sc= -0.101! C(o=-0.1!,f=-6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.37 X(o=-2.4,f=-2.6) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -4.53! C(o=-4.5!,f=-2.9!) USER MOD Single : A 81 SER OG : rot -157:sc= -1.67! USER MOD Single : A 82 CYS SG : rot 13:sc= 0.417 USER MOD Single : A 86 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.26) USER MOD Single : A 88 SER OG : rot 26:sc= 0.582 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.625 K(o=-0.63,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.61 K(o=-1.6,f=-1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.25) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.22) USER MOD Single : A 127 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-3.9!) USER MOD Single : A 128 SER OG : rot -115:sc= -0.994! USER MOD Single : A 129 CYS SG : rot 33:sc= 0.0152 USER MOD Single : A 130 LYS NZ :NH3+ 169:sc= -0.458 (180deg=-0.572) USER MOD Single : A 135 THR OG1 : rot 155:sc= -3.35! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -1.51! C(o=-1.5!,f=-0.7!) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0999 USER MOD Single : A 148 GLN : amide:sc= -1.85! K(o=-1.9!,f=-0.89) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 153 LYS NZ :NH3+ 154:sc= -1.61! (180deg=-2.31!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc=-0.00422 USER MOD Single : A 170 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.43) USER MOD Single : A 171 SER OG : rot 14:sc= 0.00966 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.591 -9.152 -12.025 1.00 0.01 N ATOM 58 CA GLY A 5 -9.549 -8.723 -10.597 1.00 0.01 C ATOM 59 C GLY A 5 -10.838 -7.978 -10.244 1.00 0.01 C ATOM 60 O GLY A 5 -11.543 -7.497 -11.107 1.00 0.01 O ATOM 0 HA2 GLY A 5 -9.431 -9.592 -9.950 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.687 -8.079 -10.426 1.00 0.01 H new ATOM 64 N LYS A 6 -11.151 -7.877 -8.977 1.00 0.00 N ATOM 65 CA LYS A 6 -12.394 -7.159 -8.561 1.00 0.01 C ATOM 66 C LYS A 6 -12.174 -6.431 -7.236 1.00 0.01 C ATOM 67 O LYS A 6 -11.636 -6.974 -6.288 1.00 0.00 O ATOM 68 CB LYS A 6 -13.547 -8.153 -8.402 1.00 0.02 C ATOM 69 CG LYS A 6 -14.820 -7.404 -7.998 1.00 0.02 C ATOM 70 CD LYS A 6 -16.038 -8.308 -8.212 1.00 0.02 C ATOM 71 CE LYS A 6 -15.965 -9.508 -7.264 1.00 0.02 C ATOM 72 NZ LYS A 6 -17.299 -10.173 -7.203 1.00 0.02 N ATOM 0 H LYS A 6 -10.598 -8.262 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.642 -6.431 -9.333 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.710 -8.689 -9.337 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.296 -8.898 -7.647 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.759 -7.100 -6.953 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.922 -6.494 -8.589 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.955 -7.747 -8.033 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.071 -8.651 -9.246 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.210 -10.214 -7.610 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.663 -9.181 -6.269 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.251 -10.989 -6.559 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -18.008 -9.497 -6.854 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.569 -10.498 -8.153 1.00 0.02 H new ATOM 86 N ILE A 7 -12.616 -5.198 -7.173 1.00 0.02 N ATOM 87 CA ILE A 7 -12.485 -4.385 -5.923 1.00 0.00 C ATOM 88 C ILE A 7 -13.859 -3.788 -5.597 1.00 0.02 C ATOM 89 O ILE A 7 -14.577 -3.354 -6.477 1.00 0.01 O ATOM 90 CB ILE A 7 -11.439 -3.285 -6.128 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.476 -2.311 -4.947 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.730 -2.528 -7.420 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.261 -1.381 -5.011 1.00 0.02 C ATOM 0 H ILE A 7 -13.069 -4.713 -7.948 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.154 -5.006 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.451 -3.741 -6.192 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.396 -1.727 -4.973 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.475 -2.863 -4.007 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.983 -1.747 -7.560 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.695 -3.219 -8.262 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.720 -2.076 -7.362 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.288 -0.688 -4.170 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.347 -1.973 -4.964 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.282 -0.819 -5.945 1.00 0.02 H new ATOM 105 N SER A 8 -14.231 -3.763 -4.337 1.00 0.02 N ATOM 106 CA SER A 8 -15.564 -3.191 -3.940 1.00 0.02 C ATOM 107 C SER A 8 -15.371 -2.045 -2.941 1.00 0.01 C ATOM 108 O SER A 8 -14.687 -2.181 -1.949 1.00 0.02 O ATOM 109 CB SER A 8 -16.427 -4.275 -3.292 1.00 0.30 C ATOM 110 OG SER A 8 -17.351 -3.667 -2.396 1.00 0.39 O ATOM 0 H SER A 8 -13.668 -4.115 -3.563 1.00 0.02 H new ATOM 0 HA SER A 8 -16.058 -2.814 -4.835 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.962 -4.837 -4.058 1.00 0.30 H new ATOM 0 HB3 SER A 8 -15.797 -4.986 -2.757 1.00 0.30 H new ATOM 0 HG SER A 8 -17.393 -4.187 -1.567 1.00 0.39 H new ATOM 116 N PHE A 9 -15.996 -0.919 -3.198 1.00 0.02 N ATOM 117 CA PHE A 9 -15.896 0.255 -2.273 1.00 0.01 C ATOM 118 C PHE A 9 -17.255 0.468 -1.590 1.00 0.01 C ATOM 119 O PHE A 9 -18.289 0.331 -2.216 1.00 0.02 O ATOM 120 CB PHE A 9 -15.541 1.515 -3.076 1.00 0.02 C ATOM 121 CG PHE A 9 -14.481 1.204 -4.106 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.822 0.512 -5.272 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.160 1.624 -3.903 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.845 0.236 -6.236 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.183 1.351 -4.867 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.525 0.658 -6.033 1.00 0.02 C ATOM 0 H PHE A 9 -16.579 -0.763 -4.021 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.124 0.067 -1.527 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.433 1.903 -3.569 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.185 2.294 -2.402 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.841 0.190 -5.429 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.896 2.158 -3.003 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.109 -0.302 -7.135 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.165 1.675 -4.711 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.771 0.448 -6.777 1.00 0.02 H new ATOM 136 N TYR A 10 -17.266 0.801 -0.318 1.00 0.02 N ATOM 137 CA TYR A 10 -18.568 1.018 0.408 1.00 0.01 C ATOM 138 C TYR A 10 -18.605 2.435 0.994 1.00 0.02 C ATOM 139 O TYR A 10 -17.616 2.944 1.489 1.00 0.01 O ATOM 140 CB TYR A 10 -18.699 -0.003 1.546 1.00 0.02 C ATOM 141 CG TYR A 10 -18.240 -1.365 1.073 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.877 -1.613 0.872 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.177 -2.381 0.843 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.451 -2.877 0.441 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.751 -3.643 0.411 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.388 -3.890 0.212 1.00 0.00 C ATOM 147 OH TYR A 10 -16.967 -5.135 -0.212 1.00 0.02 O ATOM 0 H TYR A 10 -16.430 0.933 0.251 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.393 0.893 -0.293 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -18.102 0.314 2.401 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.735 -0.055 1.882 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.154 -0.831 1.049 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.229 -2.191 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.400 -3.069 0.286 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.474 -4.425 0.232 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.743 -5.723 -0.323 1.00 0.02 H new ATOM 157 N GLU A 11 -19.734 3.094 0.909 1.00 0.00 N ATOM 158 CA GLU A 11 -19.823 4.491 1.424 1.00 0.02 C ATOM 159 C GLU A 11 -19.735 4.537 2.949 1.00 0.03 C ATOM 160 O GLU A 11 -19.292 5.523 3.503 1.00 0.03 O ATOM 161 CB GLU A 11 -21.155 5.105 0.993 1.00 0.00 C ATOM 162 CG GLU A 11 -21.175 5.255 -0.525 1.00 0.00 C ATOM 163 CD GLU A 11 -22.408 6.057 -0.944 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.391 6.016 -0.223 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.350 6.697 -1.981 1.00 0.02 O ATOM 0 H GLU A 11 -20.595 2.724 0.506 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.985 5.052 1.012 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.982 4.473 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.291 6.077 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.269 5.758 -0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.189 4.273 -0.998 1.00 0.00 H new ATOM 172 N ASP A 12 -20.143 3.497 3.643 1.00 0.02 N ATOM 173 CA ASP A 12 -20.070 3.516 5.142 1.00 0.01 C ATOM 174 C ASP A 12 -19.062 2.475 5.633 1.00 0.02 C ATOM 175 O ASP A 12 -18.587 1.643 4.887 1.00 0.02 O ATOM 176 CB ASP A 12 -21.442 3.190 5.730 1.00 0.01 C ATOM 177 CG ASP A 12 -21.411 3.404 7.245 1.00 0.01 C ATOM 178 OD1 ASP A 12 -21.545 4.542 7.666 1.00 0.03 O ATOM 179 OD2 ASP A 12 -21.256 2.427 7.957 1.00 0.02 O ATOM 0 H ASP A 12 -20.521 2.640 3.238 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.755 4.509 5.463 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -22.204 3.825 5.278 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.711 2.158 5.503 1.00 0.01 H new ATOM 184 N ARG A 13 -18.740 2.535 6.894 1.00 0.02 N ATOM 185 CA ARG A 13 -17.763 1.576 7.483 1.00 0.02 C ATOM 186 C ARG A 13 -18.421 0.208 7.677 1.00 0.00 C ATOM 187 O ARG A 13 -19.626 0.086 7.769 1.00 0.02 O ATOM 188 CB ARG A 13 -17.315 2.122 8.841 1.00 0.00 C ATOM 189 CG ARG A 13 -16.402 3.332 8.632 1.00 0.01 C ATOM 190 CD ARG A 13 -16.014 3.918 9.991 1.00 0.02 C ATOM 191 NE ARG A 13 -17.247 4.199 10.780 1.00 0.03 N ATOM 192 CZ ARG A 13 -17.165 4.405 12.067 1.00 0.02 C ATOM 193 NH1 ARG A 13 -16.005 4.359 12.663 1.00 0.02 N ATOM 194 NH2 ARG A 13 -18.245 4.655 12.756 1.00 0.02 N ATOM 0 H ARG A 13 -19.117 3.217 7.552 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.908 1.461 6.816 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.184 2.407 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.788 1.348 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.508 3.036 8.083 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.911 4.086 8.031 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.375 3.220 10.531 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.440 4.835 9.854 1.00 0.02 H new ATOM 0 HE ARG A 13 -18.154 4.230 10.315 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.162 4.162 12.124 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.941 4.520 13.668 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -19.151 4.689 12.289 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -18.183 4.816 13.761 1.00 0.02 H new ATOM 208 N ASN A 14 -17.616 -0.818 7.760 1.00 0.02 N ATOM 209 CA ASN A 14 -18.143 -2.198 7.972 1.00 0.02 C ATOM 210 C ASN A 14 -18.948 -2.678 6.757 1.00 0.02 C ATOM 211 O ASN A 14 -19.884 -3.447 6.868 1.00 0.02 O ATOM 212 CB ASN A 14 -19.008 -2.210 9.236 1.00 0.26 C ATOM 213 CG ASN A 14 -18.412 -1.258 10.276 1.00 0.12 C ATOM 214 OD1 ASN A 14 -17.210 -1.199 10.445 1.00 0.74 O ATOM 215 ND2 ASN A 14 -19.210 -0.507 10.986 1.00 0.46 N ATOM 0 H ASN A 14 -16.600 -0.757 7.689 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.306 -2.885 8.096 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -20.027 -1.908 8.994 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.062 -3.220 9.642 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -18.825 0.130 11.683 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -20.219 -0.557 10.843 1.00 0.46 H new ATOM 222 N PHE A 15 -18.542 -2.251 5.592 1.00 0.02 N ATOM 223 CA PHE A 15 -19.211 -2.686 4.325 1.00 0.02 C ATOM 224 C PHE A 15 -20.715 -2.388 4.351 1.00 0.00 C ATOM 225 O PHE A 15 -21.523 -3.183 3.915 1.00 0.02 O ATOM 226 CB PHE A 15 -18.993 -4.200 4.135 1.00 0.02 C ATOM 227 CG PHE A 15 -17.666 -4.598 4.739 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.479 -4.369 4.037 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.627 -5.192 6.005 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.250 -4.735 4.601 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.400 -5.557 6.569 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.213 -5.330 5.867 1.00 0.02 C ATOM 0 H PHE A 15 -17.762 -1.608 5.459 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.772 -2.129 3.497 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.802 -4.757 4.608 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -19.012 -4.451 3.074 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.509 -3.910 3.060 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.544 -5.369 6.547 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.332 -4.558 4.060 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.370 -6.014 7.547 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.266 -5.614 6.302 1.00 0.02 H new ATOM 242 N GLN A 16 -21.084 -1.233 4.838 1.00 0.02 N ATOM 243 CA GLN A 16 -22.528 -0.841 4.879 1.00 0.02 C ATOM 244 C GLN A 16 -22.730 0.344 3.928 1.00 0.02 C ATOM 245 O GLN A 16 -21.779 0.972 3.499 1.00 0.02 O ATOM 246 CB GLN A 16 -22.894 -0.415 6.305 1.00 0.02 C ATOM 247 CG GLN A 16 -23.084 -1.658 7.179 1.00 0.00 C ATOM 248 CD GLN A 16 -24.406 -2.337 6.823 1.00 0.00 C ATOM 249 OE1 GLN A 16 -24.417 -3.417 6.266 1.00 0.02 O ATOM 250 NE2 GLN A 16 -25.532 -1.745 7.122 1.00 0.02 N ATOM 0 H GLN A 16 -20.441 -0.536 5.214 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.158 -1.678 4.579 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -22.109 0.217 6.720 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.808 0.178 6.295 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -22.256 -2.351 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.079 -1.379 8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -25.523 -0.839 7.590 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -26.420 -2.189 6.888 1.00 0.02 H new ATOM 259 N GLY A 17 -23.953 0.660 3.593 1.00 0.03 N ATOM 260 CA GLY A 17 -24.196 1.812 2.674 1.00 0.03 C ATOM 261 C GLY A 17 -24.167 1.362 1.208 1.00 0.02 C ATOM 262 O GLY A 17 -24.185 0.185 0.903 1.00 0.02 O ATOM 0 H GLY A 17 -24.790 0.174 3.914 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.161 2.265 2.900 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.438 2.578 2.838 1.00 0.03 H new ATOM 266 N ARG A 18 -24.112 2.300 0.302 1.00 0.00 N ATOM 267 CA ARG A 18 -24.071 1.957 -1.152 1.00 0.02 C ATOM 268 C ARG A 18 -22.732 1.294 -1.482 1.00 0.02 C ATOM 269 O ARG A 18 -21.697 1.655 -0.954 1.00 0.02 O ATOM 270 CB ARG A 18 -24.222 3.243 -1.969 1.00 0.79 C ATOM 271 CG ARG A 18 -24.536 2.886 -3.424 1.00 1.49 C ATOM 272 CD ARG A 18 -24.805 4.168 -4.215 1.00 1.42 C ATOM 273 NE ARG A 18 -26.123 4.733 -3.806 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.433 5.961 -4.121 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.595 6.694 -4.798 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.587 6.453 -3.759 1.00 2.76 N ATOM 0 H ARG A 18 -24.093 3.299 0.507 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.881 1.269 -1.394 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.019 3.859 -1.554 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.305 3.830 -1.917 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.701 2.342 -3.865 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.404 2.229 -3.470 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.013 4.894 -4.033 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -24.803 3.956 -5.284 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.782 4.160 -3.280 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.695 6.308 -5.083 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.839 7.653 -5.043 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -28.244 5.878 -3.231 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.832 7.412 -4.004 1.00 2.76 H new ATOM 290 N ARG A 19 -22.756 0.302 -2.345 1.00 0.02 N ATOM 291 CA ARG A 19 -21.506 -0.431 -2.718 1.00 0.02 C ATOM 292 C ARG A 19 -21.269 -0.325 -4.229 1.00 0.02 C ATOM 293 O ARG A 19 -22.194 -0.262 -5.014 1.00 0.02 O ATOM 294 CB ARG A 19 -21.689 -1.909 -2.350 1.00 0.85 C ATOM 295 CG ARG A 19 -20.371 -2.671 -2.524 1.00 1.31 C ATOM 296 CD ARG A 19 -20.647 -4.177 -2.489 1.00 1.34 C ATOM 297 NE ARG A 19 -19.389 -4.923 -2.772 1.00 1.50 N ATOM 298 CZ ARG A 19 -19.311 -6.198 -2.501 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.334 -6.819 -1.983 1.00 1.72 N ATOM 300 NH2 ARG A 19 -18.210 -6.852 -2.748 1.00 1.89 N ATOM 0 H ARG A 19 -23.600 -0.032 -2.810 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.655 -0.001 -2.190 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -22.032 -1.994 -1.319 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.459 -2.354 -2.980 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.902 -2.398 -3.469 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.673 -2.399 -1.732 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -21.039 -4.462 -1.513 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.408 -4.435 -3.226 1.00 1.34 H new ATOM 0 HE ARG A 19 -18.589 -4.438 -3.177 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -21.196 -6.309 -1.789 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.272 -7.815 -1.772 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -17.409 -6.368 -3.153 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -18.150 -7.848 -2.536 1.00 1.89 H new ATOM 314 N TYR A 20 -20.023 -0.332 -4.634 1.00 0.02 N ATOM 315 CA TYR A 20 -19.683 -0.263 -6.093 1.00 0.02 C ATOM 316 C TYR A 20 -18.601 -1.295 -6.393 1.00 0.02 C ATOM 317 O TYR A 20 -17.598 -1.353 -5.716 1.00 0.02 O ATOM 318 CB TYR A 20 -19.163 1.127 -6.451 1.00 0.02 C ATOM 319 CG TYR A 20 -19.059 1.250 -7.954 1.00 0.01 C ATOM 320 CD1 TYR A 20 -20.219 1.224 -8.738 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.805 1.388 -8.568 1.00 0.01 C ATOM 322 CE1 TYR A 20 -20.125 1.335 -10.131 1.00 0.02 C ATOM 323 CE2 TYR A 20 -17.713 1.500 -9.959 1.00 0.02 C ATOM 324 CZ TYR A 20 -18.873 1.472 -10.742 1.00 0.02 C ATOM 325 OH TYR A 20 -18.783 1.582 -12.113 1.00 0.01 O ATOM 0 H TYR A 20 -19.217 -0.383 -4.011 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.578 -0.467 -6.681 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.834 1.891 -6.058 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.188 1.292 -5.993 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -21.186 1.118 -8.269 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.909 1.408 -7.965 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -21.020 1.315 -10.735 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -16.747 1.608 -10.429 1.00 0.02 H new ATOM 0 HH TYR A 20 -19.097 2.468 -12.391 1.00 0.01 H new ATOM 335 N ASP A 21 -18.792 -2.106 -7.402 1.00 0.01 N ATOM 336 CA ASP A 21 -17.773 -3.145 -7.760 1.00 0.02 C ATOM 337 C ASP A 21 -17.117 -2.766 -9.090 1.00 0.00 C ATOM 338 O ASP A 21 -17.777 -2.357 -10.023 1.00 0.01 O ATOM 339 CB ASP A 21 -18.477 -4.493 -7.908 1.00 0.12 C ATOM 340 CG ASP A 21 -19.345 -4.754 -6.676 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.419 -3.873 -5.833 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.917 -5.828 -6.597 1.00 0.56 O ATOM 0 H ASP A 21 -19.618 -2.094 -8.000 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.011 -3.208 -6.983 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -19.093 -4.497 -8.807 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -17.741 -5.289 -8.023 1.00 0.12 H new ATOM 347 N CYS A 22 -15.812 -2.889 -9.169 1.00 0.01 N ATOM 348 CA CYS A 22 -15.083 -2.527 -10.430 1.00 0.00 C ATOM 349 C CYS A 22 -14.168 -3.682 -10.840 1.00 0.02 C ATOM 350 O CYS A 22 -13.518 -4.295 -10.016 1.00 0.01 O ATOM 351 CB CYS A 22 -14.248 -1.267 -10.180 1.00 0.00 C ATOM 352 SG CYS A 22 -13.739 -0.555 -11.766 1.00 0.02 S ATOM 0 H CYS A 22 -15.218 -3.226 -8.412 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.799 -2.338 -11.230 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.829 -0.540 -9.612 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.371 -1.512 -9.581 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.494 -0.852 -11.996 1.00 0.02 H new ATOM 358 N ASP A 23 -14.124 -3.986 -12.116 1.00 0.01 N ATOM 359 CA ASP A 23 -13.266 -5.108 -12.615 1.00 0.02 C ATOM 360 C ASP A 23 -12.200 -4.574 -13.577 1.00 0.00 C ATOM 361 O ASP A 23 -11.536 -5.333 -14.257 1.00 0.02 O ATOM 362 CB ASP A 23 -14.150 -6.119 -13.349 1.00 0.16 C ATOM 363 CG ASP A 23 -15.117 -6.770 -12.358 1.00 0.17 C ATOM 364 OD1 ASP A 23 -15.160 -6.326 -11.224 1.00 0.17 O ATOM 365 OD2 ASP A 23 -15.797 -7.703 -12.754 1.00 0.20 O ATOM 0 H ASP A 23 -14.652 -3.499 -12.840 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.770 -5.585 -11.770 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.707 -5.621 -14.143 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -13.532 -6.881 -13.823 1.00 0.16 H new ATOM 370 N CYS A 24 -12.015 -3.280 -13.637 1.00 0.01 N ATOM 371 CA CYS A 24 -10.977 -2.718 -14.548 1.00 0.01 C ATOM 372 C CYS A 24 -10.612 -1.309 -14.070 1.00 0.01 C ATOM 373 O CYS A 24 -11.214 -0.787 -13.152 1.00 0.01 O ATOM 374 CB CYS A 24 -11.528 -2.653 -15.976 1.00 0.62 C ATOM 375 SG CYS A 24 -10.219 -2.103 -17.102 1.00 1.23 S ATOM 0 H CYS A 24 -12.537 -2.591 -13.095 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.091 -3.352 -14.538 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -11.897 -3.633 -16.280 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.373 -1.966 -16.020 1.00 0.62 H new ATOM 0 HG CYS A 24 -9.866 -0.890 -16.797 1.00 1.23 H new ATOM 381 N ASP A 25 -9.632 -0.681 -14.669 1.00 0.02 N ATOM 382 CA ASP A 25 -9.243 0.692 -14.228 1.00 0.01 C ATOM 383 C ASP A 25 -10.413 1.660 -14.424 1.00 0.02 C ATOM 384 O ASP A 25 -11.165 1.558 -15.372 1.00 0.00 O ATOM 385 CB ASP A 25 -8.061 1.170 -15.074 1.00 0.01 C ATOM 386 CG ASP A 25 -8.341 0.888 -16.550 1.00 0.01 C ATOM 387 OD1 ASP A 25 -8.201 -0.256 -16.952 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.693 1.820 -17.256 1.00 0.01 O ATOM 0 H ASP A 25 -9.086 -1.059 -15.443 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.971 0.665 -13.173 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -7.899 2.237 -14.921 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.149 0.662 -14.763 1.00 0.01 H new ATOM 393 N CYS A 26 -10.548 2.618 -13.541 1.00 0.01 N ATOM 394 CA CYS A 26 -11.643 3.635 -13.666 1.00 0.01 C ATOM 395 C CYS A 26 -11.045 5.031 -13.464 1.00 0.01 C ATOM 396 O CYS A 26 -10.503 5.335 -12.420 1.00 0.01 O ATOM 397 CB CYS A 26 -12.719 3.373 -12.609 1.00 0.01 C ATOM 398 SG CYS A 26 -14.210 4.315 -13.017 1.00 0.02 S ATOM 0 H CYS A 26 -9.941 2.742 -12.730 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.099 3.567 -14.654 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.949 2.308 -12.566 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.353 3.660 -11.623 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.233 3.795 -12.406 1.00 0.02 H new ATOM 404 N ALA A 27 -11.105 5.869 -14.469 1.00 0.01 N ATOM 405 CA ALA A 27 -10.499 7.227 -14.351 1.00 0.01 C ATOM 406 C ALA A 27 -11.393 8.162 -13.534 1.00 0.01 C ATOM 407 O ALA A 27 -10.933 9.140 -12.977 1.00 0.02 O ATOM 408 CB ALA A 27 -10.297 7.814 -15.749 1.00 0.24 C ATOM 0 H ALA A 27 -11.548 5.669 -15.366 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.541 7.133 -13.839 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -9.854 8.807 -15.666 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.633 7.167 -16.323 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.259 7.887 -16.255 1.00 0.24 H new ATOM 414 N ASP A 28 -12.664 7.879 -13.462 1.00 0.01 N ATOM 415 CA ASP A 28 -13.587 8.754 -12.681 1.00 0.02 C ATOM 416 C ASP A 28 -14.799 7.928 -12.247 1.00 0.01 C ATOM 417 O ASP A 28 -15.702 7.682 -13.021 1.00 0.02 O ATOM 418 CB ASP A 28 -14.048 9.927 -13.553 1.00 0.67 C ATOM 419 CG ASP A 28 -14.658 9.393 -14.851 1.00 0.90 C ATOM 420 OD1 ASP A 28 -13.996 8.616 -15.521 1.00 0.87 O ATOM 421 OD2 ASP A 28 -15.781 9.766 -15.154 1.00 1.14 O ATOM 0 H ASP A 28 -13.106 7.077 -13.911 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.072 9.146 -11.804 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -14.781 10.527 -13.015 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.205 10.580 -13.777 1.00 0.67 H new ATOM 426 N PHE A 29 -14.822 7.500 -11.008 1.00 0.02 N ATOM 427 CA PHE A 29 -15.972 6.682 -10.498 1.00 0.02 C ATOM 428 C PHE A 29 -16.834 7.509 -9.532 1.00 0.00 C ATOM 429 O PHE A 29 -17.703 7.002 -8.845 1.00 0.02 O ATOM 430 CB PHE A 29 -15.449 5.405 -9.831 1.00 2.87 C ATOM 431 CG PHE A 29 -14.898 5.698 -8.458 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.598 6.198 -8.318 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.679 5.450 -7.324 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.081 6.448 -7.042 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.162 5.704 -6.052 1.00 5.75 C ATOM 436 CZ PHE A 29 -13.865 6.200 -5.911 1.00 6.37 C ATOM 0 H PHE A 29 -14.089 7.682 -10.322 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.605 6.392 -11.337 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.254 4.674 -9.755 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.671 4.959 -10.451 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -12.995 6.390 -9.193 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.681 5.062 -7.432 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.078 6.832 -6.931 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.766 5.517 -5.177 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.466 6.393 -4.926 1.00 6.37 H new ATOM 446 N ARG A 30 -16.571 8.787 -9.462 1.00 0.01 N ATOM 447 CA ARG A 30 -17.340 9.675 -8.543 1.00 0.00 C ATOM 448 C ARG A 30 -18.834 9.646 -8.887 1.00 0.01 C ATOM 449 O ARG A 30 -19.673 9.962 -8.061 1.00 0.02 O ATOM 450 CB ARG A 30 -16.824 11.115 -8.669 1.00 0.32 C ATOM 451 CG ARG A 30 -15.493 11.259 -7.920 1.00 0.86 C ATOM 452 CD ARG A 30 -15.052 12.727 -7.924 1.00 1.62 C ATOM 453 NE ARG A 30 -14.035 12.941 -6.857 1.00 2.25 N ATOM 454 CZ ARG A 30 -13.308 14.025 -6.857 1.00 2.70 C ATOM 455 NH1 ARG A 30 -13.473 14.921 -7.788 1.00 3.11 N ATOM 456 NH2 ARG A 30 -12.415 14.210 -5.923 1.00 3.02 N ATOM 0 H ARG A 30 -15.849 9.258 -10.008 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.204 9.317 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.690 11.372 -9.720 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.558 11.811 -8.262 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.602 10.905 -6.895 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -14.731 10.639 -8.392 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -14.636 12.991 -8.896 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -15.911 13.377 -7.758 1.00 1.62 H new ATOM 0 HE ARG A 30 -13.907 12.241 -6.127 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -14.171 14.776 -8.518 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -12.904 15.768 -7.787 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -12.286 13.508 -5.194 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -11.846 15.057 -5.922 1.00 3.02 H new ATOM 470 N SER A 31 -19.188 9.292 -10.097 1.00 0.02 N ATOM 471 CA SER A 31 -20.632 9.274 -10.474 1.00 0.02 C ATOM 472 C SER A 31 -21.320 8.065 -9.845 1.00 0.01 C ATOM 473 O SER A 31 -22.532 7.987 -9.793 1.00 0.02 O ATOM 474 CB SER A 31 -20.755 9.192 -11.994 1.00 0.37 C ATOM 475 OG SER A 31 -19.953 10.207 -12.586 1.00 0.88 O ATOM 0 H SER A 31 -18.542 9.016 -10.836 1.00 0.02 H new ATOM 0 HA SER A 31 -21.109 10.185 -10.113 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.436 8.210 -12.344 1.00 0.37 H new ATOM 0 HB3 SER A 31 -21.796 9.314 -12.293 1.00 0.37 H new ATOM 0 HG SER A 31 -20.028 10.156 -13.562 1.00 0.88 H new ATOM 481 N TYR A 32 -20.553 7.113 -9.386 1.00 0.01 N ATOM 482 CA TYR A 32 -21.150 5.885 -8.776 1.00 0.01 C ATOM 483 C TYR A 32 -21.024 5.961 -7.258 1.00 0.02 C ATOM 484 O TYR A 32 -21.742 5.305 -6.533 1.00 0.02 O ATOM 485 CB TYR A 32 -20.385 4.661 -9.283 1.00 0.02 C ATOM 486 CG TYR A 32 -20.708 4.438 -10.744 1.00 0.02 C ATOM 487 CD1 TYR A 32 -21.951 3.911 -11.111 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.766 4.760 -11.729 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.254 3.703 -12.463 1.00 0.00 C ATOM 490 CE2 TYR A 32 -20.069 4.554 -13.081 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.313 4.025 -13.446 1.00 0.02 C ATOM 492 OH TYR A 32 -21.610 3.821 -14.778 1.00 0.02 O ATOM 0 H TYR A 32 -19.533 7.131 -9.406 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.202 5.809 -9.050 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.313 4.809 -9.155 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.657 3.781 -8.700 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.678 3.664 -10.351 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -18.806 5.167 -11.446 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.213 3.295 -12.746 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -19.344 4.803 -13.841 1.00 0.02 H new ATOM 0 HH TYR A 32 -20.848 4.098 -15.329 1.00 0.02 H new ATOM 502 N LEU A 33 -20.112 6.757 -6.770 1.00 0.02 N ATOM 503 CA LEU A 33 -19.926 6.876 -5.290 1.00 0.02 C ATOM 504 C LEU A 33 -19.426 8.281 -4.949 1.00 0.02 C ATOM 505 O LEU A 33 -18.478 8.782 -5.521 1.00 0.02 O ATOM 506 CB LEU A 33 -18.859 5.876 -4.835 1.00 1.66 C ATOM 507 CG LEU A 33 -19.414 4.445 -4.824 1.00 2.38 C ATOM 508 CD1 LEU A 33 -18.290 3.491 -4.405 1.00 3.32 C ATOM 509 CD2 LEU A 33 -20.590 4.325 -3.829 1.00 2.80 C ATOM 0 H LEU A 33 -19.485 7.333 -7.332 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.877 6.679 -4.794 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -17.997 5.930 -5.500 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.509 6.141 -3.838 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.779 4.191 -5.819 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -18.667 2.468 -4.392 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -17.466 3.565 -5.115 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -17.936 3.760 -3.410 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -20.970 3.303 -3.836 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -20.245 4.577 -2.826 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -21.386 5.010 -4.122 1.00 2.80 H new ATOM 521 N SER A 34 -20.078 8.915 -4.010 1.00 0.02 N ATOM 522 CA SER A 34 -19.680 10.292 -3.602 1.00 0.02 C ATOM 523 C SER A 34 -18.575 10.232 -2.541 1.00 0.00 C ATOM 524 O SER A 34 -17.976 11.236 -2.205 1.00 0.01 O ATOM 525 CB SER A 34 -20.896 11.018 -3.026 1.00 0.02 C ATOM 526 OG SER A 34 -21.127 10.566 -1.700 1.00 0.02 O ATOM 0 H SER A 34 -20.877 8.533 -3.504 1.00 0.02 H new ATOM 0 HA SER A 34 -19.305 10.828 -4.474 1.00 0.02 H new ATOM 0 HB2 SER A 34 -20.727 12.095 -3.031 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.773 10.830 -3.645 1.00 0.02 H new ATOM 0 HG SER A 34 -21.905 11.031 -1.327 1.00 0.02 H new ATOM 532 N ARG A 35 -18.295 9.069 -2.012 1.00 0.02 N ATOM 533 CA ARG A 35 -17.230 8.932 -0.979 1.00 0.01 C ATOM 534 C ARG A 35 -17.008 7.437 -0.719 1.00 0.02 C ATOM 535 O ARG A 35 -17.847 6.616 -1.036 1.00 0.02 O ATOM 536 CB ARG A 35 -17.673 9.617 0.315 1.00 0.02 C ATOM 537 CG ARG A 35 -19.043 9.080 0.733 1.00 0.02 C ATOM 538 CD ARG A 35 -19.485 9.765 2.027 1.00 0.02 C ATOM 539 NE ARG A 35 -19.603 11.231 1.801 1.00 0.02 N ATOM 540 CZ ARG A 35 -20.247 11.975 2.658 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.787 11.431 3.717 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.352 13.261 2.460 1.00 0.02 N ATOM 0 H ARG A 35 -18.766 8.198 -2.257 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.308 9.399 -1.325 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.943 9.435 1.104 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.722 10.696 0.169 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.773 9.262 -0.055 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -18.994 8.001 0.878 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -20.442 9.360 2.356 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -18.764 9.566 2.820 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.180 11.655 0.975 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -20.705 10.426 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.291 12.011 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.930 13.686 1.634 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.856 13.841 3.131 1.00 0.02 H new ATOM 556 N CYS A 36 -15.895 7.070 -0.134 1.00 0.02 N ATOM 557 CA CYS A 36 -15.629 5.624 0.160 1.00 0.02 C ATOM 558 C CYS A 36 -14.895 5.518 1.501 1.00 0.02 C ATOM 559 O CYS A 36 -13.802 6.028 1.636 1.00 0.02 O ATOM 560 CB CYS A 36 -14.754 5.033 -0.946 1.00 0.02 C ATOM 561 SG CYS A 36 -15.621 5.156 -2.527 1.00 0.02 S ATOM 0 H CYS A 36 -15.155 7.710 0.154 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.570 5.076 0.208 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -13.804 5.565 -0.997 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -14.524 3.991 -0.725 1.00 0.02 H new ATOM 0 HG CYS A 36 -16.812 5.639 -2.332 1.00 0.02 H new ATOM 567 N ASN A 37 -15.480 4.897 2.504 1.00 0.02 N ATOM 568 CA ASN A 37 -14.790 4.820 3.838 1.00 0.01 C ATOM 569 C ASN A 37 -14.291 3.401 4.129 1.00 0.02 C ATOM 570 O ASN A 37 -13.691 3.139 5.153 1.00 0.02 O ATOM 571 CB ASN A 37 -15.761 5.239 4.943 1.00 0.02 C ATOM 572 CG ASN A 37 -16.251 6.667 4.682 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.785 6.954 3.631 1.00 0.03 O ATOM 574 ND2 ASN A 37 -16.090 7.576 5.603 1.00 0.02 N ATOM 0 H ASN A 37 -16.394 4.446 2.459 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.932 5.492 3.810 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.608 4.553 4.976 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.268 5.184 5.914 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -16.413 8.530 5.440 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -15.641 7.333 6.486 1.00 0.02 H new ATOM 581 N SER A 38 -14.509 2.491 3.219 1.00 0.02 N ATOM 582 CA SER A 38 -14.030 1.095 3.411 1.00 0.02 C ATOM 583 C SER A 38 -13.888 0.451 2.031 1.00 0.01 C ATOM 584 O SER A 38 -14.530 0.855 1.080 1.00 0.02 O ATOM 585 CB SER A 38 -15.017 0.304 4.272 1.00 0.01 C ATOM 586 OG SER A 38 -16.345 0.666 3.921 1.00 0.02 O ATOM 0 H SER A 38 -15.003 2.658 2.343 1.00 0.02 H new ATOM 0 HA SER A 38 -13.069 1.095 3.926 1.00 0.02 H new ATOM 0 HB2 SER A 38 -14.869 -0.766 4.125 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.840 0.508 5.328 1.00 0.01 H new ATOM 0 HG SER A 38 -16.821 0.977 4.719 1.00 0.02 H new ATOM 592 N ILE A 39 -13.035 -0.535 1.904 1.00 0.02 N ATOM 593 CA ILE A 39 -12.837 -1.180 0.567 1.00 0.02 C ATOM 594 C ILE A 39 -12.527 -2.669 0.735 1.00 0.02 C ATOM 595 O ILE A 39 -11.879 -3.085 1.673 1.00 0.02 O ATOM 596 CB ILE A 39 -11.648 -0.512 -0.132 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.775 1.012 -0.021 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.630 -0.916 -1.607 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.683 1.682 -0.854 1.00 0.00 C ATOM 0 H ILE A 39 -12.470 -0.920 2.661 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.748 -1.065 -0.021 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.722 -0.833 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.758 1.331 -0.368 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.690 1.319 1.022 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.784 -0.441 -2.104 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.536 -1.999 -1.686 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.557 -0.596 -2.083 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.776 2.765 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.704 1.374 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.788 1.386 -1.898 1.00 0.00 H new ATOM 611 N ARG A 40 -12.958 -3.462 -0.219 1.00 0.02 N ATOM 612 CA ARG A 40 -12.668 -4.929 -0.202 1.00 0.02 C ATOM 613 C ARG A 40 -11.983 -5.291 -1.523 1.00 0.01 C ATOM 614 O ARG A 40 -12.523 -5.048 -2.584 1.00 0.02 O ATOM 615 CB ARG A 40 -13.954 -5.749 -0.057 1.00 0.01 C ATOM 616 CG ARG A 40 -13.603 -7.195 0.300 1.00 0.02 C ATOM 617 CD ARG A 40 -14.888 -8.001 0.494 1.00 0.02 C ATOM 618 NE ARG A 40 -14.545 -9.411 0.833 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.455 -10.204 1.326 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.666 -9.759 1.525 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.156 -11.438 1.624 1.00 0.02 N ATOM 0 H ARG A 40 -13.506 -3.148 -1.020 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.028 -5.158 0.650 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.588 -5.316 0.717 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.522 -5.721 -0.987 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.999 -7.639 -0.491 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.005 -7.221 1.211 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.489 -7.561 1.289 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.490 -7.970 -0.414 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.598 -9.756 0.679 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.899 -8.793 1.295 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.380 -10.377 1.911 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.209 -11.784 1.472 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.869 -12.057 2.010 1.00 0.02 H new ATOM 635 N VAL A 41 -10.832 -5.911 -1.472 1.00 0.02 N ATOM 636 CA VAL A 41 -10.148 -6.340 -2.733 1.00 0.01 C ATOM 637 C VAL A 41 -10.292 -7.857 -2.825 1.00 0.02 C ATOM 638 O VAL A 41 -9.798 -8.582 -1.987 1.00 0.02 O ATOM 639 CB VAL A 41 -8.674 -5.939 -2.695 1.00 0.01 C ATOM 640 CG1 VAL A 41 -8.019 -6.294 -4.031 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.576 -4.430 -2.479 1.00 0.00 C ATOM 0 H VAL A 41 -10.334 -6.140 -0.612 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.594 -5.860 -3.604 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.169 -6.467 -1.886 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.967 -6.009 -4.008 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.101 -7.367 -4.202 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.522 -5.759 -4.836 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.527 -4.134 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.077 -3.912 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.053 -4.166 -1.535 1.00 0.00 H new ATOM 651 N GLU A 42 -10.993 -8.335 -3.817 1.00 0.01 N ATOM 652 CA GLU A 42 -11.208 -9.807 -3.943 1.00 0.01 C ATOM 653 C GLU A 42 -10.016 -10.464 -4.637 1.00 0.02 C ATOM 654 O GLU A 42 -9.666 -11.588 -4.339 1.00 0.01 O ATOM 655 CB GLU A 42 -12.489 -10.065 -4.749 1.00 0.99 C ATOM 656 CG GLU A 42 -12.977 -11.501 -4.516 1.00 1.86 C ATOM 657 CD GLU A 42 -11.991 -12.485 -5.148 1.00 3.10 C ATOM 658 OE1 GLU A 42 -11.631 -12.277 -6.296 1.00 3.81 O ATOM 659 OE2 GLU A 42 -11.616 -13.431 -4.475 1.00 3.67 O ATOM 0 H GLU A 42 -11.427 -7.770 -4.547 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.308 -10.239 -2.947 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.263 -9.357 -4.453 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.299 -9.905 -5.810 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.068 -11.697 -3.448 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -13.968 -11.634 -4.950 1.00 1.86 H new ATOM 666 N GLY A 43 -9.390 -9.794 -5.562 1.00 0.01 N ATOM 667 CA GLY A 43 -8.236 -10.429 -6.254 1.00 0.02 C ATOM 668 C GLY A 43 -7.404 -9.383 -6.995 1.00 0.02 C ATOM 669 O GLY A 43 -7.909 -8.365 -7.423 1.00 0.02 O ATOM 0 H GLY A 43 -9.622 -8.848 -5.866 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.612 -10.948 -5.527 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.596 -11.179 -6.958 1.00 0.02 H new ATOM 673 N GLY A 44 -6.136 -9.630 -7.169 1.00 0.00 N ATOM 674 CA GLY A 44 -5.291 -8.648 -7.908 1.00 0.01 C ATOM 675 C GLY A 44 -4.817 -7.537 -6.966 1.00 0.01 C ATOM 676 O GLY A 44 -5.251 -7.435 -5.836 1.00 0.01 O ATOM 0 H GLY A 44 -5.650 -10.462 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.431 -9.155 -8.345 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.859 -8.217 -8.732 1.00 0.01 H new ATOM 680 N THR A 45 -3.952 -6.685 -7.455 1.00 0.01 N ATOM 681 CA THR A 45 -3.451 -5.534 -6.637 1.00 0.00 C ATOM 682 C THR A 45 -3.843 -4.241 -7.357 1.00 0.01 C ATOM 683 O THR A 45 -3.739 -4.154 -8.564 1.00 0.01 O ATOM 684 CB THR A 45 -1.925 -5.617 -6.519 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.571 -6.743 -5.728 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.388 -4.344 -5.864 1.00 1.48 C ATOM 0 H THR A 45 -3.566 -6.737 -8.398 1.00 0.01 H new ATOM 0 HA THR A 45 -3.883 -5.558 -5.636 1.00 0.00 H new ATOM 0 HB THR A 45 -1.492 -5.720 -7.514 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.595 -6.797 -5.654 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.303 -4.407 -5.782 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.656 -3.481 -6.473 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.821 -4.236 -4.870 1.00 1.48 H new ATOM 694 N TRP A 46 -4.357 -3.259 -6.650 1.00 0.02 N ATOM 695 CA TRP A 46 -4.820 -2.003 -7.331 1.00 0.01 C ATOM 696 C TRP A 46 -4.208 -0.751 -6.701 1.00 0.01 C ATOM 697 O TRP A 46 -3.866 -0.707 -5.536 1.00 0.01 O ATOM 698 CB TRP A 46 -6.343 -1.914 -7.221 1.00 0.00 C ATOM 699 CG TRP A 46 -6.963 -3.073 -7.929 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.865 -4.363 -7.536 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.775 -3.073 -9.138 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.561 -5.156 -8.429 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.139 -4.407 -9.434 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.224 -2.056 -10.000 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.922 -4.722 -10.547 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.012 -2.367 -11.118 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.360 -3.698 -11.392 1.00 0.01 C ATOM 0 H TRP A 46 -4.476 -3.272 -5.637 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.501 -2.048 -8.372 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.643 -1.912 -6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.695 -0.978 -7.655 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.330 -4.716 -6.667 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.638 -6.170 -8.354 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.960 -1.028 -9.799 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.187 -5.749 -10.753 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.353 -1.577 -11.771 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.966 -3.932 -12.255 1.00 0.01 H new ATOM 718 N ALA A 47 -4.140 0.289 -7.489 1.00 0.01 N ATOM 719 CA ALA A 47 -3.640 1.610 -7.006 1.00 0.01 C ATOM 720 C ALA A 47 -4.865 2.518 -6.947 1.00 0.01 C ATOM 721 O ALA A 47 -5.650 2.569 -7.875 1.00 0.01 O ATOM 722 CB ALA A 47 -2.606 2.171 -7.985 1.00 0.24 C ATOM 0 H ALA A 47 -4.417 0.278 -8.471 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.154 1.529 -6.034 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.248 3.135 -7.623 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.768 1.479 -8.065 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -3.065 2.299 -8.965 1.00 0.24 H new ATOM 728 N VAL A 48 -5.023 3.252 -5.871 1.00 0.01 N ATOM 729 CA VAL A 48 -6.189 4.183 -5.746 1.00 0.02 C ATOM 730 C VAL A 48 -5.676 5.620 -5.632 1.00 0.01 C ATOM 731 O VAL A 48 -4.655 5.866 -5.019 1.00 0.01 O ATOM 732 CB VAL A 48 -7.013 3.823 -4.506 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.595 2.419 -4.673 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.114 3.857 -3.266 1.00 0.65 C ATOM 0 H VAL A 48 -4.391 3.246 -5.070 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.823 4.092 -6.628 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.823 4.543 -4.387 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.182 2.161 -3.791 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.235 2.393 -5.555 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.784 1.701 -4.792 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.701 3.601 -2.384 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.304 3.138 -3.384 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.697 4.857 -3.146 1.00 0.65 H new ATOM 744 N TYR A 49 -6.370 6.565 -6.224 1.00 0.01 N ATOM 745 CA TYR A 49 -5.922 7.994 -6.166 1.00 0.01 C ATOM 746 C TYR A 49 -7.005 8.857 -5.521 1.00 0.01 C ATOM 747 O TYR A 49 -8.190 8.609 -5.642 1.00 0.02 O ATOM 748 CB TYR A 49 -5.637 8.492 -7.583 1.00 0.01 C ATOM 749 CG TYR A 49 -4.390 7.815 -8.110 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.424 6.458 -8.453 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.204 8.542 -8.256 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.274 5.828 -8.943 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.051 7.913 -8.746 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.087 6.556 -9.090 1.00 0.02 C ATOM 755 OH TYR A 49 -0.951 5.936 -9.571 1.00 0.01 O ATOM 0 H TYR A 49 -7.231 6.407 -6.747 1.00 0.01 H new ATOM 0 HA TYR A 49 -5.015 8.063 -5.566 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.484 8.276 -8.234 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.504 9.574 -7.581 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.339 5.896 -8.339 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.177 9.589 -7.991 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.302 4.781 -9.207 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.135 8.475 -8.858 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.217 6.584 -9.612 1.00 0.01 H new ATOM 765 N GLU A 50 -6.583 9.850 -4.789 1.00 0.01 N ATOM 766 CA GLU A 50 -7.539 10.732 -4.061 1.00 0.01 C ATOM 767 C GLU A 50 -8.395 11.547 -5.033 1.00 0.01 C ATOM 768 O GLU A 50 -9.532 11.856 -4.736 1.00 0.02 O ATOM 769 CB GLU A 50 -6.739 11.687 -3.173 1.00 0.02 C ATOM 770 CG GLU A 50 -7.679 12.356 -2.167 1.00 0.01 C ATOM 771 CD GLU A 50 -6.907 13.404 -1.362 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.359 14.307 -1.974 1.00 0.02 O ATOM 773 OE2 GLU A 50 -6.876 13.285 -0.150 1.00 0.01 O ATOM 0 H GLU A 50 -5.600 10.092 -4.662 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.205 10.110 -3.463 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.955 11.141 -2.647 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.246 12.443 -3.785 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.513 12.825 -2.689 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.103 11.608 -1.497 1.00 0.01 H new ATOM 780 N ARG A 51 -7.864 11.925 -6.177 1.00 0.02 N ATOM 781 CA ARG A 51 -8.663 12.751 -7.144 1.00 0.02 C ATOM 782 C ARG A 51 -8.691 12.050 -8.521 1.00 0.01 C ATOM 783 O ARG A 51 -7.827 11.246 -8.823 1.00 0.02 O ATOM 784 CB ARG A 51 -7.978 14.133 -7.268 1.00 0.02 C ATOM 785 CG ARG A 51 -8.629 15.136 -6.306 1.00 0.01 C ATOM 786 CD ARG A 51 -7.761 16.392 -6.215 1.00 0.02 C ATOM 787 NE ARG A 51 -8.526 17.475 -5.538 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.901 18.527 -5.083 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.609 18.630 -5.226 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.572 19.476 -4.486 1.00 0.01 N ATOM 0 H ARG A 51 -6.917 11.698 -6.481 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.688 12.869 -6.793 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.915 14.041 -7.045 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -8.058 14.496 -8.293 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.628 15.396 -6.656 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.744 14.688 -5.319 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.847 16.176 -5.661 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.461 16.713 -7.213 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.537 17.395 -5.430 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.087 17.889 -5.693 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -6.120 19.452 -4.871 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -9.583 19.394 -4.376 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -8.085 20.299 -4.130 1.00 0.01 H new ATOM 804 N PRO A 52 -9.680 12.360 -9.349 1.00 0.02 N ATOM 805 CA PRO A 52 -9.800 11.733 -10.699 1.00 0.02 C ATOM 806 C PRO A 52 -8.519 11.858 -11.531 1.00 0.01 C ATOM 807 O PRO A 52 -7.624 12.622 -11.228 1.00 0.02 O ATOM 808 CB PRO A 52 -10.971 12.516 -11.337 1.00 0.02 C ATOM 809 CG PRO A 52 -11.413 13.618 -10.356 1.00 0.01 C ATOM 810 CD PRO A 52 -10.746 13.348 -9.000 1.00 0.01 C ATOM 0 HA PRO A 52 -9.970 10.658 -10.644 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.661 12.955 -12.285 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.802 11.845 -11.553 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -11.126 14.600 -10.732 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.498 13.622 -10.252 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.329 14.257 -8.566 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.452 12.943 -8.275 1.00 0.01 H new ATOM 818 N ASN A 53 -8.471 11.111 -12.602 1.00 0.02 N ATOM 819 CA ASN A 53 -7.303 11.158 -13.525 1.00 0.02 C ATOM 820 C ASN A 53 -6.030 10.691 -12.821 1.00 0.01 C ATOM 821 O ASN A 53 -4.947 11.183 -13.066 1.00 0.01 O ATOM 822 CB ASN A 53 -7.121 12.591 -14.040 1.00 0.01 C ATOM 823 CG ASN A 53 -6.243 12.580 -15.294 1.00 0.02 C ATOM 824 OD1 ASN A 53 -5.126 13.056 -15.270 1.00 0.02 O ATOM 825 ND2 ASN A 53 -6.706 12.052 -16.395 1.00 0.01 N ATOM 0 H ASN A 53 -9.205 10.460 -12.879 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.492 10.486 -14.363 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -8.091 13.032 -14.267 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.663 13.210 -13.269 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -6.129 12.039 -17.236 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.644 11.653 -16.414 1.00 0.01 H new ATOM 832 N PHE A 54 -6.161 9.716 -11.961 1.00 0.02 N ATOM 833 CA PHE A 54 -4.981 9.165 -11.241 1.00 0.01 C ATOM 834 C PHE A 54 -4.090 10.298 -10.722 1.00 0.01 C ATOM 835 O PHE A 54 -2.897 10.324 -10.951 1.00 0.02 O ATOM 836 CB PHE A 54 -4.187 8.254 -12.196 1.00 1.78 C ATOM 837 CG PHE A 54 -5.139 7.583 -13.165 1.00 2.32 C ATOM 838 CD1 PHE A 54 -6.078 6.654 -12.694 1.00 2.53 C ATOM 839 CD2 PHE A 54 -5.085 7.887 -14.533 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.957 6.034 -13.589 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.965 7.266 -15.425 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.900 6.339 -14.954 1.00 3.39 C ATOM 0 H PHE A 54 -7.049 9.273 -11.725 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.322 8.584 -10.384 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.448 8.839 -12.743 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.641 7.502 -11.627 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.123 6.417 -11.641 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.363 8.602 -14.898 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.681 5.319 -13.226 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.922 7.502 -16.478 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.578 5.858 -15.643 1.00 3.39 H new ATOM 852 N SER A 55 -4.683 11.234 -10.020 1.00 0.02 N ATOM 853 CA SER A 55 -3.908 12.391 -9.461 1.00 0.02 C ATOM 854 C SER A 55 -4.147 12.502 -7.951 1.00 0.01 C ATOM 855 O SER A 55 -5.070 11.918 -7.414 1.00 0.01 O ATOM 856 CB SER A 55 -4.371 13.678 -10.141 1.00 1.90 C ATOM 857 OG SER A 55 -5.746 13.889 -9.854 1.00 2.33 O ATOM 0 H SER A 55 -5.681 11.247 -9.808 1.00 0.02 H new ATOM 0 HA SER A 55 -2.845 12.234 -9.643 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.780 14.523 -9.788 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.218 13.610 -11.218 1.00 1.90 H new ATOM 0 HG SER A 55 -6.292 13.308 -10.424 1.00 2.33 H new ATOM 863 N GLY A 56 -3.312 13.234 -7.255 1.00 0.02 N ATOM 864 CA GLY A 56 -3.475 13.373 -5.777 1.00 0.02 C ATOM 865 C GLY A 56 -2.718 12.247 -5.063 1.00 0.02 C ATOM 866 O GLY A 56 -1.839 11.629 -5.628 1.00 0.00 O ATOM 0 H GLY A 56 -2.521 13.743 -7.650 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -3.098 14.342 -5.450 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.532 13.337 -5.513 1.00 0.02 H new ATOM 870 N HIS A 57 -3.027 11.991 -3.819 1.00 0.02 N ATOM 871 CA HIS A 57 -2.299 10.920 -3.075 1.00 0.02 C ATOM 872 C HIS A 57 -2.571 9.561 -3.719 1.00 0.01 C ATOM 873 O HIS A 57 -3.689 9.263 -4.084 1.00 0.01 O ATOM 874 CB HIS A 57 -2.774 10.900 -1.620 1.00 0.00 C ATOM 875 CG HIS A 57 -2.850 12.308 -1.097 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.756 13.233 -1.592 1.00 0.01 N ATOM 877 CD2 HIS A 57 -2.139 12.964 -0.122 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.571 14.382 -0.920 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.597 14.274 -0.010 1.00 0.01 N ATOM 0 H HIS A 57 -3.750 12.475 -3.287 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.229 11.123 -3.109 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.751 10.422 -1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.088 10.311 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.345 12.530 0.468 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -4.140 15.283 -1.094 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -2.262 14.996 0.628 1.00 0.01 H new ATOM 887 N MET A 58 -1.555 8.734 -3.849 1.00 0.02 N ATOM 888 CA MET A 58 -1.734 7.379 -4.468 1.00 0.02 C ATOM 889 C MET A 58 -1.375 6.294 -3.446 1.00 0.01 C ATOM 890 O MET A 58 -0.397 6.398 -2.731 1.00 0.01 O ATOM 891 CB MET A 58 -0.812 7.257 -5.681 1.00 2.61 C ATOM 892 CG MET A 58 0.647 7.306 -5.222 1.00 3.46 C ATOM 893 SD MET A 58 1.722 7.578 -6.651 1.00 4.50 S ATOM 894 CE MET A 58 1.879 5.843 -7.148 1.00 5.01 C ATOM 0 H MET A 58 -0.603 8.943 -3.550 1.00 0.02 H new ATOM 0 HA MET A 58 -2.772 7.254 -4.778 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.007 6.322 -6.207 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.010 8.066 -6.384 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.783 8.106 -4.494 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.914 6.373 -4.725 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.515 5.773 -8.031 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.324 5.270 -6.334 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.893 5.440 -7.379 1.00 5.01 H new ATOM 904 N TYR A 59 -2.170 5.256 -3.373 1.00 0.02 N ATOM 905 CA TYR A 59 -1.907 4.144 -2.400 1.00 0.01 C ATOM 906 C TYR A 59 -2.068 2.791 -3.105 1.00 0.01 C ATOM 907 O TYR A 59 -2.967 2.588 -3.895 1.00 0.02 O ATOM 908 CB TYR A 59 -2.911 4.225 -1.252 1.00 0.01 C ATOM 909 CG TYR A 59 -2.597 5.424 -0.391 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.667 5.314 0.648 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.235 6.645 -0.634 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.376 6.428 1.447 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.944 7.758 0.166 1.00 0.01 C ATOM 914 CZ TYR A 59 -2.015 7.648 1.205 1.00 0.01 C ATOM 915 OH TYR A 59 -1.726 8.743 1.992 1.00 0.01 O ATOM 0 H TYR A 59 -3.000 5.128 -3.952 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.892 4.239 -2.014 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.924 4.303 -1.646 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.870 3.314 -0.654 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.174 4.372 0.834 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.951 6.730 -1.438 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.658 6.344 2.250 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.437 8.701 -0.020 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.255 9.511 1.691 1.00 0.01 H new ATOM 925 N ILE A 60 -1.193 1.862 -2.806 1.00 0.02 N ATOM 926 CA ILE A 60 -1.269 0.502 -3.427 1.00 0.01 C ATOM 927 C ILE A 60 -2.038 -0.428 -2.484 1.00 0.01 C ATOM 928 O ILE A 60 -1.777 -0.464 -1.298 1.00 0.01 O ATOM 929 CB ILE A 60 0.147 -0.039 -3.638 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.025 1.042 -4.280 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.094 -1.267 -4.551 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.329 1.615 -5.521 1.00 1.72 C ATOM 0 H ILE A 60 -0.421 1.989 -2.151 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.779 0.558 -4.388 1.00 0.01 H new ATOM 0 HB ILE A 60 0.572 -0.321 -2.675 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.219 1.838 -3.562 1.00 1.35 H new ATOM 0 HG13 ILE A 60 1.991 0.620 -4.557 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.102 -1.652 -4.701 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.524 -2.037 -4.089 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.335 -0.987 -5.513 1.00 1.21 H new ATOM 0 HD11 ILE A 60 0.960 2.382 -5.970 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.158 0.817 -6.243 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.626 2.054 -5.232 1.00 1.72 H new ATOM 944 N LEU A 61 -3.003 -1.157 -2.994 1.00 0.01 N ATOM 945 CA LEU A 61 -3.825 -2.064 -2.119 1.00 0.01 C ATOM 946 C LEU A 61 -3.698 -3.543 -2.587 1.00 0.01 C ATOM 947 O LEU A 61 -4.228 -3.897 -3.624 1.00 0.00 O ATOM 948 CB LEU A 61 -5.311 -1.612 -2.229 1.00 0.01 C ATOM 949 CG LEU A 61 -5.839 -1.106 -0.874 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.154 -0.356 -1.085 1.00 0.01 C ATOM 951 CD2 LEU A 61 -6.087 -2.293 0.061 1.00 0.01 C ATOM 0 H LEU A 61 -3.260 -1.165 -3.981 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.472 -2.002 -1.089 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.400 -0.822 -2.975 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.923 -2.446 -2.573 1.00 0.01 H new ATOM 0 HG LEU A 61 -5.100 -0.439 -0.431 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.527 0.002 -0.125 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.987 0.493 -1.748 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.888 -1.027 -1.532 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.460 -1.930 1.019 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.823 -2.961 -0.386 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.154 -2.834 0.217 1.00 0.01 H new ATOM 963 N PRO A 62 -3.047 -4.422 -1.836 1.00 0.02 N ATOM 964 CA PRO A 62 -2.966 -5.854 -2.247 1.00 0.01 C ATOM 965 C PRO A 62 -4.296 -6.565 -1.942 1.00 0.00 C ATOM 966 O PRO A 62 -5.147 -6.026 -1.264 1.00 0.02 O ATOM 967 CB PRO A 62 -1.819 -6.384 -1.370 1.00 1.47 C ATOM 968 CG PRO A 62 -1.613 -5.390 -0.212 1.00 1.29 C ATOM 969 CD PRO A 62 -2.345 -4.079 -0.562 1.00 0.82 C ATOM 0 HA PRO A 62 -2.790 -6.010 -3.311 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -2.059 -7.375 -0.985 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.905 -6.483 -1.956 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -2.002 -5.805 0.718 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.550 -5.202 -0.058 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -3.046 -3.786 0.220 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.650 -3.250 -0.694 1.00 0.82 H new ATOM 977 N GLN A 63 -4.493 -7.762 -2.431 1.00 0.02 N ATOM 978 CA GLN A 63 -5.775 -8.475 -2.158 1.00 0.00 C ATOM 979 C GLN A 63 -6.049 -8.524 -0.651 1.00 0.00 C ATOM 980 O GLN A 63 -5.146 -8.713 0.142 1.00 0.02 O ATOM 981 CB GLN A 63 -5.680 -9.904 -2.695 1.00 1.27 C ATOM 982 CG GLN A 63 -5.295 -9.870 -4.174 1.00 1.67 C ATOM 983 CD GLN A 63 -5.153 -11.299 -4.699 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.872 -12.187 -4.282 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.250 -11.563 -5.601 1.00 3.04 N ATOM 0 H GLN A 63 -3.824 -8.275 -3.005 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.588 -7.940 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.939 -10.468 -2.129 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.634 -10.415 -2.569 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.054 -9.335 -4.746 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.358 -9.329 -4.304 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -3.646 -10.819 -5.951 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.147 -12.513 -5.956 1.00 3.04 H new ATOM 994 N GLY A 64 -7.283 -8.364 -0.242 1.00 0.02 N ATOM 995 CA GLY A 64 -7.587 -8.416 1.217 1.00 0.01 C ATOM 996 C GLY A 64 -8.870 -7.641 1.527 1.00 0.02 C ATOM 997 O GLY A 64 -9.529 -7.122 0.648 1.00 0.02 O ATOM 0 H GLY A 64 -8.085 -8.201 -0.851 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.696 -9.453 1.535 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.756 -7.995 1.783 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.228 -7.568 2.787 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.472 -6.839 3.197 1.00 0.02 C ATOM 1003 C GLU A 65 -10.110 -5.701 4.154 1.00 0.02 C ATOM 1004 O GLU A 65 -9.399 -5.887 5.122 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.402 -7.818 3.916 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.636 -7.073 4.424 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.688 -8.080 4.892 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.411 -8.805 5.833 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.753 -8.111 4.301 1.00 0.96 O ATOM 0 H GLU A 65 -8.706 -7.987 3.557 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.964 -6.428 2.315 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.701 -8.617 3.237 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.879 -8.287 4.749 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.361 -6.411 5.245 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.046 -6.445 3.632 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.622 -4.523 3.886 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.358 -3.340 4.760 1.00 0.02 C ATOM 1018 C TYR A 66 -11.713 -2.777 5.239 1.00 0.02 C ATOM 1019 O TYR A 66 -12.330 -1.994 4.539 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.632 -2.283 3.925 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.342 -2.877 3.409 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.367 -3.764 2.324 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.124 -2.552 4.018 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.174 -4.323 1.850 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.932 -3.112 3.543 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.958 -3.998 2.459 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.782 -4.550 1.991 1.00 0.01 O ATOM 0 H TYR A 66 -11.222 -4.330 3.084 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.749 -3.617 5.621 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.259 -1.962 3.094 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.426 -1.400 4.529 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.306 -4.016 1.854 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.104 -1.869 4.854 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.193 -5.006 1.013 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.992 -2.861 4.013 1.00 0.02 H new ATOM 0 HH TYR A 66 -4.030 -4.219 2.525 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.191 -3.173 6.406 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.508 -2.677 6.907 1.00 0.02 C ATOM 1039 C PRO A 67 -13.535 -1.169 7.219 1.00 0.02 C ATOM 1040 O PRO A 67 -14.574 -0.633 7.553 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.730 -3.514 8.189 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.542 -4.484 8.353 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.481 -4.143 7.288 1.00 0.01 C ATOM 0 HA PRO A 67 -14.288 -2.792 6.154 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.809 -2.861 9.058 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.666 -4.069 8.121 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -12.117 -4.396 9.353 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.876 -5.515 8.238 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.588 -3.705 7.734 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -11.161 -5.029 6.739 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.437 -0.469 7.090 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.464 0.999 7.368 1.00 0.01 C ATOM 1053 C GLU A 68 -11.294 1.655 6.636 1.00 0.03 C ATOM 1054 O GLU A 68 -10.318 1.025 6.296 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.322 1.254 8.873 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.588 0.806 9.606 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.591 1.384 11.023 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.627 2.041 11.377 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -14.560 1.161 11.730 1.00 2.02 O ATOM 0 H GLU A 68 -11.532 -0.845 6.807 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.411 1.417 7.026 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.458 0.714 9.261 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.144 2.314 9.055 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.472 1.141 9.064 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.632 -0.282 9.646 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.419 2.922 6.354 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.357 3.632 5.589 1.00 0.02 C ATOM 1068 C TYR A 69 -9.010 3.614 6.316 1.00 0.01 C ATOM 1069 O TYR A 69 -7.969 3.466 5.704 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.803 5.067 5.310 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.978 5.812 6.612 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.155 5.658 7.355 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.966 6.661 7.076 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.319 6.351 8.560 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.129 7.355 8.281 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.306 7.199 9.023 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.467 7.882 10.212 1.00 0.01 O ATOM 0 H TYR A 69 -12.216 3.499 6.622 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.211 3.105 4.646 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.064 5.572 4.688 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.740 5.064 4.753 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.937 5.004 6.998 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.058 6.781 6.503 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.227 6.231 9.132 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.348 8.010 8.638 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.670 8.425 10.388 1.00 0.01 H new ATOM 1087 N GLN A 70 -9.011 3.769 7.613 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.728 3.760 8.369 1.00 0.02 C ATOM 1089 C GLN A 70 -7.001 2.422 8.170 1.00 0.01 C ATOM 1090 O GLN A 70 -5.801 2.327 8.319 1.00 0.02 O ATOM 1091 CB GLN A 70 -8.023 3.953 9.860 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.747 5.282 10.070 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.755 5.631 11.561 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -7.765 6.092 12.094 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.836 5.423 12.262 1.00 0.02 N ATOM 0 H GLN A 70 -9.847 3.902 8.181 1.00 0.01 H new ATOM 0 HA GLN A 70 -7.094 4.567 8.002 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.636 3.131 10.229 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -7.094 3.939 10.430 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.252 6.071 9.504 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.769 5.214 9.696 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.667 5.036 11.815 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.850 5.647 13.257 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.735 1.391 7.836 1.00 0.01 N ATOM 1105 CA ARG A 71 -7.098 0.059 7.623 1.00 0.02 C ATOM 1106 C ARG A 71 -6.278 0.104 6.334 1.00 0.01 C ATOM 1107 O ARG A 71 -5.413 -0.713 6.097 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.174 -1.022 7.522 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.953 -1.096 8.844 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.064 -1.653 9.971 1.00 1.04 C ATOM 1111 NE ARG A 71 -7.345 -0.533 10.638 1.00 1.67 N ATOM 1112 CZ ARG A 71 -6.769 -0.722 11.795 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -6.825 -1.893 12.370 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -6.138 0.261 12.379 1.00 3.42 N ATOM 0 H ARG A 71 -8.746 1.415 7.702 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.446 -0.177 8.464 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.853 -0.798 6.700 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.716 -1.987 7.303 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.313 -0.104 9.115 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.831 -1.730 8.719 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -8.674 -2.191 10.697 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.348 -2.367 9.564 1.00 1.04 H new ATOM 0 HE ARG A 71 -7.302 0.383 10.191 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.319 -2.661 11.916 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -6.375 -2.040 13.273 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -6.095 1.177 11.932 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -5.688 0.113 13.283 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.562 1.072 5.502 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.835 1.231 4.209 1.00 0.01 C ATOM 1130 C TRP A 72 -4.925 2.462 4.345 1.00 0.01 C ATOM 1131 O TRP A 72 -4.352 2.946 3.390 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.903 1.400 3.098 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.436 2.296 1.990 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.388 2.052 1.172 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -7.001 3.570 1.563 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.270 3.097 0.272 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.244 4.057 0.475 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -8.088 4.340 2.014 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.553 5.268 -0.147 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.402 5.559 1.391 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.636 6.021 0.313 1.00 0.02 C ATOM 0 H TRP A 72 -7.283 1.774 5.669 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.212 0.374 3.954 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.156 0.422 2.689 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.815 1.809 3.533 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.747 1.184 1.214 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.553 3.152 -0.452 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.685 3.992 2.844 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.959 5.620 -0.978 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.238 6.143 1.745 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.883 6.959 -0.162 1.00 0.02 H new ATOM 1152 N MET A 73 -4.804 2.958 5.547 1.00 0.02 N ATOM 1153 CA MET A 73 -3.949 4.155 5.811 1.00 0.02 C ATOM 1154 C MET A 73 -4.442 5.358 4.998 1.00 0.01 C ATOM 1155 O MET A 73 -3.702 6.280 4.716 1.00 0.02 O ATOM 1156 CB MET A 73 -2.485 3.850 5.455 1.00 0.02 C ATOM 1157 CG MET A 73 -1.989 2.652 6.274 1.00 0.01 C ATOM 1158 SD MET A 73 -2.569 1.115 5.514 1.00 0.01 S ATOM 1159 CE MET A 73 -1.662 -0.025 6.589 1.00 0.01 C ATOM 0 H MET A 73 -5.269 2.579 6.372 1.00 0.02 H new ATOM 0 HA MET A 73 -4.015 4.398 6.872 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.397 3.635 4.390 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.863 4.722 5.656 1.00 0.02 H new ATOM 0 HG2 MET A 73 -0.900 2.657 6.322 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.354 2.723 7.299 1.00 0.01 H new ATOM 0 HE1 MET A 73 -1.876 -1.052 6.293 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.592 0.163 6.498 1.00 0.01 H new ATOM 0 HE3 MET A 73 -1.971 0.127 7.623 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.694 5.348 4.622 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.248 6.481 3.827 1.00 0.02 C ATOM 1171 C GLY A 74 -6.105 7.776 4.623 1.00 0.01 C ATOM 1172 O GLY A 74 -6.267 7.792 5.827 1.00 0.01 O ATOM 0 H GLY A 74 -6.357 4.602 4.832 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.721 6.565 2.877 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.297 6.298 3.594 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.854 8.872 3.962 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.758 10.169 4.690 1.00 0.02 C ATOM 1178 C LEU A 75 -7.188 10.665 4.951 1.00 0.01 C ATOM 1179 O LEU A 75 -7.466 11.304 5.946 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.985 11.186 3.838 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.727 12.475 4.644 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.501 12.301 5.551 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.472 13.640 3.682 1.00 0.42 C ATOM 0 H LEU A 75 -5.712 8.926 2.953 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.226 10.045 5.633 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -4.037 10.755 3.516 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.551 11.420 2.937 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.603 12.682 5.258 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -3.331 13.219 6.114 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.675 11.478 6.244 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.625 12.083 4.941 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.290 14.550 4.253 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -3.601 13.418 3.065 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.343 13.781 3.043 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.100 10.342 4.070 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.525 10.736 4.234 1.00 0.02 C ATOM 1197 C ASN A 76 -10.342 9.754 3.392 1.00 0.02 C ATOM 1198 O ASN A 76 -9.810 8.780 2.894 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.735 12.167 3.738 1.00 0.02 C ATOM 1200 CG ASN A 76 -8.882 13.126 4.572 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -9.333 13.644 5.575 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -7.660 13.387 4.197 1.00 0.02 N ATOM 0 H ASN A 76 -7.907 9.807 3.223 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.829 10.705 5.280 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.462 12.242 2.685 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -10.788 12.439 3.815 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -7.084 14.025 4.745 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -7.281 12.953 3.356 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.624 9.971 3.232 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.449 9.011 2.428 1.00 0.01 C ATOM 1211 C ASP A 77 -12.633 9.523 0.998 1.00 0.01 C ATOM 1212 O ASP A 77 -13.620 9.219 0.355 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.829 8.865 3.078 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.665 8.442 4.539 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.984 7.458 4.777 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.223 9.110 5.394 1.00 0.02 O ATOM 0 H ASP A 77 -12.134 10.765 3.619 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.935 8.050 2.400 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.371 9.809 3.021 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.420 8.125 2.539 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.712 10.305 0.488 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.869 10.836 -0.907 1.00 0.01 C ATOM 1223 C ARG A 78 -11.110 9.958 -1.905 1.00 0.02 C ATOM 1224 O ARG A 78 -9.911 9.785 -1.812 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.340 12.272 -0.965 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.896 13.071 0.217 1.00 0.80 C ATOM 1227 CD ARG A 78 -13.424 12.996 0.218 1.00 1.00 C ATOM 1228 NE ARG A 78 -13.928 13.090 -1.182 1.00 1.30 N ATOM 1229 CZ ARG A 78 -15.160 12.751 -1.456 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -15.949 12.334 -0.507 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -15.597 12.833 -2.684 1.00 3.20 N ATOM 0 H ARG A 78 -10.863 10.598 0.972 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.926 10.825 -1.175 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.250 12.271 -0.936 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.633 12.741 -1.904 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -11.502 12.675 1.153 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -11.573 14.110 0.150 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -13.752 12.061 0.672 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -13.838 13.805 0.820 1.00 1.00 H new ATOM 0 HE ARG A 78 -13.312 13.419 -1.925 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -15.605 12.272 0.451 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -16.910 12.070 -0.722 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -14.977 13.161 -3.425 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -16.558 12.569 -2.902 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.803 9.417 -2.873 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.148 8.560 -3.906 1.00 0.01 C ATOM 1247 C LEU A 79 -11.857 8.815 -5.243 1.00 0.01 C ATOM 1248 O LEU A 79 -13.059 8.662 -5.344 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.288 7.088 -3.502 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.215 6.723 -2.461 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.497 5.311 -1.936 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.804 6.782 -3.089 1.00 2.61 C ATOM 0 H LEU A 79 -12.809 9.534 -2.993 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.088 8.796 -3.996 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.281 6.908 -3.091 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -11.186 6.450 -4.380 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.250 7.439 -1.640 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.743 5.040 -1.197 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.484 5.285 -1.474 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.465 4.602 -2.763 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.060 6.521 -2.337 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.745 6.077 -3.918 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.611 7.790 -3.456 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.139 9.256 -6.255 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.791 9.582 -7.574 1.00 0.02 C ATOM 1266 C GLY A 80 -11.387 8.616 -8.702 1.00 0.02 C ATOM 1267 O GLY A 80 -12.036 8.577 -9.733 1.00 0.01 O ATOM 0 H GLY A 80 -10.130 9.405 -6.226 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.874 9.557 -7.453 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.525 10.599 -7.862 1.00 0.02 H new ATOM 1271 N SER A 81 -10.339 7.843 -8.555 1.00 0.01 N ATOM 1272 CA SER A 81 -9.952 6.923 -9.672 1.00 0.01 C ATOM 1273 C SER A 81 -9.135 5.744 -9.149 1.00 0.02 C ATOM 1274 O SER A 81 -8.513 5.810 -8.105 1.00 0.01 O ATOM 1275 CB SER A 81 -9.117 7.696 -10.688 1.00 0.01 C ATOM 1276 OG SER A 81 -8.670 6.808 -11.702 1.00 0.01 O ATOM 0 H SER A 81 -9.744 7.807 -7.727 1.00 0.01 H new ATOM 0 HA SER A 81 -10.860 6.539 -10.137 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.709 8.499 -11.127 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.264 8.162 -10.195 1.00 0.01 H new ATOM 0 HG SER A 81 -7.875 7.181 -12.136 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.133 4.658 -9.883 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.359 3.452 -9.454 1.00 0.01 C ATOM 1284 C CYS A 82 -7.802 2.718 -10.682 1.00 0.01 C ATOM 1285 O CYS A 82 -8.401 2.711 -11.738 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.277 2.513 -8.670 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.484 1.772 -9.797 1.00 0.02 S ATOM 0 H CYS A 82 -9.636 4.555 -10.764 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.528 3.767 -8.822 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.689 1.733 -8.185 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.790 3.063 -7.881 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.117 1.984 -11.026 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.660 2.091 -10.541 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.048 1.344 -11.690 1.00 0.01 C ATOM 1295 C ARG A 83 -5.489 0.010 -11.189 1.00 0.01 C ATOM 1296 O ARG A 83 -4.961 -0.087 -10.100 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.882 2.148 -12.266 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.413 3.387 -12.989 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.238 4.221 -13.504 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.331 3.360 -14.312 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.433 3.905 -15.087 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.325 5.205 -15.150 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -1.640 3.151 -15.799 1.00 0.01 N ATOM 0 H ARG A 83 -6.121 2.063 -9.676 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.812 1.183 -12.450 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.203 2.445 -11.466 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.309 1.530 -12.957 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.053 3.090 -13.820 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -6.025 3.982 -12.311 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.605 5.049 -14.110 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.693 4.656 -12.666 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.411 2.344 -14.260 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.943 5.796 -14.593 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.623 5.630 -15.756 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -1.722 2.135 -15.750 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.939 3.577 -16.404 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.605 -1.025 -11.981 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.085 -2.357 -11.559 1.00 0.01 C ATOM 1319 C ALA A 84 -3.568 -2.414 -11.776 1.00 0.01 C ATOM 1320 O ALA A 84 -3.062 -2.076 -12.828 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.749 -3.450 -12.399 1.00 0.43 C ATOM 0 H ALA A 84 -6.039 -1.003 -12.904 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.309 -2.511 -10.503 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.370 -4.425 -12.092 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.828 -3.417 -12.251 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.522 -3.288 -13.453 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.849 -2.863 -10.782 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.366 -2.984 -10.903 1.00 0.01 C ATOM 1329 C VAL A 85 -1.025 -4.383 -11.417 1.00 0.01 C ATOM 1330 O VAL A 85 -1.430 -5.374 -10.836 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.714 -2.766 -9.535 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.803 -2.644 -9.707 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.256 -1.478 -8.909 1.00 1.12 C ATOM 0 H VAL A 85 -3.230 -3.154 -9.882 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.991 -2.232 -11.597 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.943 -3.612 -8.886 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.268 -2.489 -8.734 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.193 -3.558 -10.154 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.029 -1.798 -10.356 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.792 -1.323 -7.935 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.027 -0.633 -9.559 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.336 -1.559 -8.787 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.284 -4.492 -12.487 1.00 0.01 N ATOM 1344 CA HIS A 86 0.075 -5.842 -13.013 1.00 0.01 C ATOM 1345 C HIS A 86 1.421 -6.259 -12.423 1.00 0.01 C ATOM 1346 O HIS A 86 2.374 -5.502 -12.412 1.00 0.00 O ATOM 1347 CB HIS A 86 0.193 -5.781 -14.537 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.091 -5.255 -15.118 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -2.319 -5.463 -14.509 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.353 -4.531 -16.256 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -3.256 -4.874 -15.275 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.720 -4.291 -16.352 1.00 1.71 N ATOM 0 H HIS A 86 0.088 -3.706 -13.020 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.695 -6.562 -12.737 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.025 -5.137 -14.823 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.406 -6.773 -14.936 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -0.611 -4.199 -16.967 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -4.312 -4.873 -15.047 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.209 -3.780 -17.087 1.00 1.71 H new ATOM 1360 N LEU A 87 1.505 -7.464 -11.923 1.00 0.01 N ATOM 1361 CA LEU A 87 2.781 -7.957 -11.319 1.00 0.01 C ATOM 1362 C LEU A 87 3.520 -8.809 -12.349 1.00 0.01 C ATOM 1363 O LEU A 87 2.921 -9.595 -13.058 1.00 0.01 O ATOM 1364 CB LEU A 87 2.449 -8.819 -10.086 1.00 0.67 C ATOM 1365 CG LEU A 87 1.236 -8.242 -9.351 1.00 1.25 C ATOM 1366 CD1 LEU A 87 0.966 -9.067 -8.090 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.519 -6.791 -8.957 1.00 1.34 C ATOM 0 H LEU A 87 0.737 -8.135 -11.907 1.00 0.01 H new ATOM 0 HA LEU A 87 3.406 -7.115 -11.022 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.243 -9.844 -10.394 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.308 -8.854 -9.415 1.00 0.67 H new ATOM 0 HG LEU A 87 0.365 -8.278 -10.005 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.103 -8.658 -7.565 1.00 1.63 H new ATOM 0 HD12 LEU A 87 0.765 -10.101 -8.368 1.00 1.63 H new ATOM 0 HD13 LEU A 87 1.838 -9.030 -7.437 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.655 -6.381 -8.434 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.390 -6.755 -8.303 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.714 -6.202 -9.853 1.00 1.34 H new ATOM 1379 N SER A 88 4.824 -8.684 -12.418 1.00 0.01 N ATOM 1380 CA SER A 88 5.632 -9.506 -13.375 1.00 0.01 C ATOM 1381 C SER A 88 6.477 -10.494 -12.573 1.00 0.01 C ATOM 1382 O SER A 88 7.253 -10.081 -11.733 1.00 0.01 O ATOM 1383 CB SER A 88 6.548 -8.592 -14.188 1.00 0.81 C ATOM 1384 OG SER A 88 7.359 -7.831 -13.302 1.00 1.08 O ATOM 0 H SER A 88 5.369 -8.040 -11.845 1.00 0.01 H new ATOM 0 HA SER A 88 4.972 -10.044 -14.055 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.175 -9.185 -14.854 1.00 0.81 H new ATOM 0 HB3 SER A 88 5.954 -7.928 -14.816 1.00 0.81 H new ATOM 0 HG SER A 88 7.471 -8.320 -12.460 1.00 1.08 H new ATOM 1390 N SER A 89 6.391 -11.777 -12.832 1.00 0.01 N ATOM 1391 CA SER A 89 7.258 -12.753 -12.092 1.00 0.01 C ATOM 1392 C SER A 89 8.184 -13.422 -13.106 1.00 0.01 C ATOM 1393 O SER A 89 7.741 -13.812 -14.168 1.00 0.01 O ATOM 1394 CB SER A 89 6.411 -13.836 -11.424 1.00 0.43 C ATOM 1395 OG SER A 89 5.695 -13.265 -10.338 1.00 1.26 O ATOM 0 H SER A 89 5.762 -12.191 -13.520 1.00 0.01 H new ATOM 0 HA SER A 89 7.820 -12.223 -11.323 1.00 0.01 H new ATOM 0 HB2 SER A 89 5.718 -14.269 -12.145 1.00 0.43 H new ATOM 0 HB3 SER A 89 7.048 -14.646 -11.069 1.00 0.43 H new ATOM 0 HG SER A 89 5.149 -13.955 -9.907 1.00 1.26 H new ATOM 1401 N GLY A 90 9.462 -13.531 -12.847 1.00 0.01 N ATOM 1402 CA GLY A 90 10.340 -14.147 -13.903 1.00 0.00 C ATOM 1403 C GLY A 90 11.653 -14.741 -13.350 1.00 0.00 C ATOM 1404 O GLY A 90 11.988 -15.867 -13.661 1.00 0.01 O ATOM 0 H GLY A 90 9.927 -13.236 -11.989 1.00 0.01 H new ATOM 0 HA2 GLY A 90 9.783 -14.933 -14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.580 -13.390 -14.650 1.00 0.00 H new ATOM 1408 N GLY A 91 12.409 -14.027 -12.544 1.00 0.00 N ATOM 1409 CA GLY A 91 13.673 -14.630 -12.036 1.00 0.00 C ATOM 1410 C GLY A 91 14.262 -13.800 -10.890 1.00 0.00 C ATOM 1411 O GLY A 91 13.761 -13.839 -9.782 1.00 0.01 O ATOM 0 H GLY A 91 12.208 -13.079 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.481 -15.646 -11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.397 -14.700 -12.847 1.00 0.00 H new ATOM 1415 N GLN A 92 15.323 -13.061 -11.127 1.00 1.80 N ATOM 1416 CA GLN A 92 15.947 -12.246 -10.031 1.00 2.31 C ATOM 1417 C GLN A 92 15.933 -10.760 -10.400 1.00 1.91 C ATOM 1418 O GLN A 92 16.523 -10.334 -11.371 1.00 2.31 O ATOM 1419 CB GLN A 92 17.383 -12.729 -9.817 1.00 2.11 C ATOM 1420 CG GLN A 92 17.956 -12.080 -8.556 1.00 2.86 C ATOM 1421 CD GLN A 92 19.435 -12.439 -8.420 1.00 3.70 C ATOM 1422 OE1 GLN A 92 20.273 -11.573 -8.263 1.00 3.99 O ATOM 1423 NE2 GLN A 92 19.794 -13.692 -8.474 1.00 4.43 N ATOM 0 H GLN A 92 15.785 -12.987 -12.034 1.00 1.80 H new ATOM 0 HA GLN A 92 15.378 -12.370 -9.110 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.403 -13.815 -9.721 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.996 -12.474 -10.681 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.837 -10.998 -8.606 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.407 -12.420 -7.678 1.00 2.86 H new ATOM 0 HE21 GLN A 92 19.091 -14.419 -8.606 1.00 4.43 H new ATOM 0 HE22 GLN A 92 20.778 -13.945 -8.384 1.00 4.43 H new ATOM 1432 N ALA A 93 15.246 -9.976 -9.613 1.00 0.01 N ATOM 1433 CA ALA A 93 15.173 -8.515 -9.906 1.00 0.01 C ATOM 1434 C ALA A 93 16.470 -7.839 -9.449 1.00 0.01 C ATOM 1435 O ALA A 93 16.920 -8.027 -8.336 1.00 0.01 O ATOM 1436 CB ALA A 93 13.983 -7.902 -9.162 1.00 2.99 C ATOM 0 H ALA A 93 14.735 -10.281 -8.785 1.00 0.01 H new ATOM 0 HA ALA A 93 15.044 -8.364 -10.978 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.930 -6.835 -9.377 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.062 -8.384 -9.490 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.109 -8.051 -8.090 1.00 2.99 H new ATOM 1442 N LYS A 94 17.074 -7.059 -10.309 1.00 0.00 N ATOM 1443 CA LYS A 94 18.353 -6.362 -9.957 1.00 0.01 C ATOM 1444 C LYS A 94 18.237 -4.879 -10.328 1.00 0.01 C ATOM 1445 O LYS A 94 17.670 -4.535 -11.347 1.00 0.01 O ATOM 1446 CB LYS A 94 19.486 -7.013 -10.751 1.00 2.49 C ATOM 1447 CG LYS A 94 20.822 -6.384 -10.350 1.00 3.43 C ATOM 1448 CD LYS A 94 21.974 -7.270 -10.834 1.00 4.11 C ATOM 1449 CE LYS A 94 21.858 -7.489 -12.344 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.156 -7.994 -12.871 1.00 6.36 N ATOM 0 H LYS A 94 16.733 -6.872 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 94 18.555 -6.444 -8.889 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.506 -8.086 -10.561 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.317 -6.881 -11.820 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.910 -5.387 -10.782 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.870 -6.267 -9.267 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.930 -6.802 -10.597 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.951 -8.228 -10.315 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.063 -8.203 -12.559 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.590 -6.555 -12.839 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.079 -8.144 -13.897 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.904 -7.298 -12.677 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.393 -8.894 -12.407 1.00 6.36 H new ATOM 1464 N ILE A 95 18.764 -3.996 -9.507 1.00 0.00 N ATOM 1465 CA ILE A 95 18.674 -2.528 -9.811 1.00 0.01 C ATOM 1466 C ILE A 95 20.057 -1.881 -9.708 1.00 0.01 C ATOM 1467 O ILE A 95 20.868 -2.231 -8.871 1.00 0.01 O ATOM 1468 CB ILE A 95 17.721 -1.859 -8.815 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.728 -0.343 -9.036 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.166 -2.167 -7.384 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.558 0.289 -8.280 1.00 1.09 C ATOM 0 H ILE A 95 19.251 -4.228 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 95 18.297 -2.398 -10.825 1.00 0.01 H new ATOM 0 HB ILE A 95 16.714 -2.245 -8.970 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.670 0.081 -8.689 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.650 -0.120 -10.100 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.485 -1.689 -6.680 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.155 -3.245 -7.224 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.175 -1.787 -7.227 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.563 1.368 -8.437 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.620 -0.127 -8.648 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.656 0.077 -7.215 1.00 1.09 H new ATOM 1483 N GLN A 96 20.305 -0.895 -10.538 1.00 0.01 N ATOM 1484 CA GLN A 96 21.600 -0.147 -10.498 1.00 0.01 C ATOM 1485 C GLN A 96 21.274 1.328 -10.246 1.00 0.01 C ATOM 1486 O GLN A 96 20.389 1.873 -10.875 1.00 0.00 O ATOM 1487 CB GLN A 96 22.347 -0.311 -11.827 1.00 0.53 C ATOM 1488 CG GLN A 96 21.363 -0.224 -12.989 1.00 0.82 C ATOM 1489 CD GLN A 96 22.139 -0.072 -14.300 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.675 -1.032 -14.819 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.217 1.100 -14.867 1.00 2.05 N ATOM 0 H GLN A 96 19.653 -0.573 -11.253 1.00 0.01 H new ATOM 0 HA GLN A 96 22.242 -0.534 -9.707 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.108 0.463 -11.925 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.864 -1.270 -11.848 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.742 -1.119 -13.022 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.692 0.624 -12.850 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.768 1.907 -14.434 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.727 1.209 -15.744 1.00 2.05 H new ATOM 1500 N VAL A 97 21.962 1.984 -9.342 1.00 0.01 N ATOM 1501 CA VAL A 97 21.666 3.432 -9.061 1.00 0.01 C ATOM 1502 C VAL A 97 22.938 4.264 -9.236 1.00 0.01 C ATOM 1503 O VAL A 97 24.031 3.804 -8.977 1.00 0.01 O ATOM 1504 CB VAL A 97 21.157 3.573 -7.624 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.956 2.651 -7.414 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.269 3.188 -6.647 1.00 1.03 C ATOM 0 H VAL A 97 22.716 1.583 -8.785 1.00 0.01 H new ATOM 0 HA VAL A 97 20.907 3.789 -9.757 1.00 0.01 H new ATOM 0 HB VAL A 97 20.858 4.606 -7.447 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.594 2.752 -6.391 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.162 2.924 -8.108 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.255 1.618 -7.593 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.906 3.289 -5.624 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.569 2.155 -6.826 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.126 3.845 -6.794 1.00 1.03 H new ATOM 1516 N PHE A 98 22.794 5.486 -9.704 1.00 0.01 N ATOM 1517 CA PHE A 98 23.986 6.371 -9.939 1.00 0.01 C ATOM 1518 C PHE A 98 23.909 7.640 -9.081 1.00 0.01 C ATOM 1519 O PHE A 98 22.857 8.205 -8.856 1.00 0.01 O ATOM 1520 CB PHE A 98 24.031 6.762 -11.416 1.00 0.25 C ATOM 1521 CG PHE A 98 24.456 5.565 -12.238 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.587 4.476 -12.385 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.712 5.542 -12.857 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.973 3.368 -13.148 1.00 0.56 C ATOM 1525 CE2 PHE A 98 26.099 4.435 -13.620 1.00 0.73 C ATOM 1526 CZ PHE A 98 25.228 3.348 -13.765 1.00 0.69 C ATOM 0 H PHE A 98 21.896 5.911 -9.935 1.00 0.01 H new ATOM 0 HA PHE A 98 24.887 5.824 -9.662 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.051 7.112 -11.741 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.729 7.586 -11.565 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.618 4.492 -11.909 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.383 6.381 -12.745 1.00 0.58 H new ATOM 0 HE1 PHE A 98 23.302 2.529 -13.260 1.00 0.56 H new ATOM 0 HE2 PHE A 98 27.068 4.419 -14.096 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.526 2.493 -14.354 1.00 0.69 H new ATOM 1536 N GLU A 99 25.040 8.058 -8.579 1.00 0.01 N ATOM 1537 CA GLU A 99 25.087 9.260 -7.699 1.00 0.01 C ATOM 1538 C GLU A 99 24.730 10.544 -8.463 1.00 0.01 C ATOM 1539 O GLU A 99 24.200 11.472 -7.885 1.00 0.01 O ATOM 1540 CB GLU A 99 26.494 9.395 -7.110 1.00 0.01 C ATOM 1541 CG GLU A 99 26.593 10.689 -6.293 1.00 0.01 C ATOM 1542 CD GLU A 99 27.833 10.636 -5.396 1.00 0.01 C ATOM 1543 OE1 GLU A 99 27.806 9.897 -4.425 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.790 11.333 -5.698 1.00 0.01 O ATOM 0 H GLU A 99 25.943 7.612 -8.743 1.00 0.01 H new ATOM 0 HA GLU A 99 24.350 9.128 -6.907 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.717 8.536 -6.477 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.234 9.402 -7.910 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.651 11.549 -6.960 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.697 10.817 -5.685 1.00 0.01 H new ATOM 1551 N LYS A 100 25.017 10.619 -9.745 1.00 0.01 N ATOM 1552 CA LYS A 100 24.694 11.865 -10.524 1.00 0.01 C ATOM 1553 C LYS A 100 23.665 11.562 -11.618 1.00 0.01 C ATOM 1554 O LYS A 100 23.381 10.421 -11.927 1.00 0.01 O ATOM 1555 CB LYS A 100 25.966 12.422 -11.165 1.00 0.94 C ATOM 1556 CG LYS A 100 26.955 12.829 -10.071 1.00 1.63 C ATOM 1557 CD LYS A 100 28.168 13.513 -10.706 1.00 2.19 C ATOM 1558 CE LYS A 100 29.079 14.064 -9.606 1.00 2.84 C ATOM 1559 NZ LYS A 100 30.091 14.977 -10.209 1.00 3.18 N ATOM 0 H LYS A 100 25.459 9.875 -10.285 1.00 0.01 H new ATOM 0 HA LYS A 100 24.276 12.602 -9.838 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.416 11.672 -11.816 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.724 13.282 -11.789 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.473 13.504 -9.363 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.273 11.951 -9.509 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.716 12.803 -11.325 1.00 2.19 H new ATOM 0 HD3 LYS A 100 27.842 14.321 -11.361 1.00 2.19 H new ATOM 0 HE2 LYS A 100 28.487 14.599 -8.863 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.576 13.245 -9.087 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 30.710 15.351 -9.462 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 30.663 14.453 -10.902 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 29.608 15.765 -10.685 1.00 3.18 H new ATOM 1573 N GLY A 101 23.114 12.593 -12.200 1.00 0.01 N ATOM 1574 CA GLY A 101 22.088 12.417 -13.269 1.00 0.01 C ATOM 1575 C GLY A 101 22.702 11.785 -14.520 1.00 0.00 C ATOM 1576 O GLY A 101 23.903 11.761 -14.705 1.00 0.01 O ATOM 0 H GLY A 101 23.334 13.564 -11.977 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.278 11.788 -12.900 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.652 13.383 -13.522 1.00 0.01 H new ATOM 1580 N ASP A 102 21.859 11.287 -15.387 1.00 0.01 N ATOM 1581 CA ASP A 102 22.332 10.664 -16.656 1.00 0.00 C ATOM 1582 C ASP A 102 23.306 9.520 -16.370 1.00 0.00 C ATOM 1583 O ASP A 102 24.267 9.306 -17.079 1.00 0.01 O ATOM 1584 CB ASP A 102 23.022 11.724 -17.515 1.00 0.01 C ATOM 1585 CG ASP A 102 22.190 13.008 -17.506 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.047 12.947 -17.087 1.00 0.01 O ATOM 1587 OD2 ASP A 102 22.712 14.032 -17.919 1.00 0.01 O ATOM 0 H ASP A 102 20.846 11.287 -15.266 1.00 0.01 H new ATOM 0 HA ASP A 102 21.471 10.258 -17.188 1.00 0.00 H new ATOM 0 HB2 ASP A 102 24.023 11.924 -17.131 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.139 11.361 -18.536 1.00 0.01 H new ATOM 1592 N PHE A 103 23.031 8.761 -15.344 1.00 0.01 N ATOM 1593 CA PHE A 103 23.891 7.593 -15.003 1.00 0.01 C ATOM 1594 C PHE A 103 25.361 8.005 -14.898 1.00 0.00 C ATOM 1595 O PHE A 103 26.216 7.436 -15.547 1.00 0.01 O ATOM 1596 CB PHE A 103 23.741 6.529 -16.095 1.00 0.01 C ATOM 1597 CG PHE A 103 22.282 6.392 -16.467 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.402 5.720 -15.611 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.809 6.937 -17.666 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.051 5.593 -15.953 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.459 6.809 -18.009 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.578 6.137 -17.153 1.00 0.01 C ATOM 0 H PHE A 103 22.237 8.903 -14.720 1.00 0.01 H new ATOM 0 HA PHE A 103 23.575 7.197 -14.038 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.326 6.807 -16.971 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.129 5.573 -15.742 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.766 5.299 -14.685 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.487 7.457 -18.327 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.373 5.075 -15.291 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.096 7.229 -18.935 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.536 6.039 -17.418 1.00 0.01 H new ATOM 1612 N ASN A 104 25.666 8.970 -14.066 1.00 0.00 N ATOM 1613 CA ASN A 104 27.092 9.407 -13.887 1.00 0.01 C ATOM 1614 C ASN A 104 27.417 9.395 -12.394 1.00 0.01 C ATOM 1615 O ASN A 104 26.535 9.315 -11.562 1.00 0.01 O ATOM 1616 CB ASN A 104 27.274 10.824 -14.437 1.00 1.68 C ATOM 1617 CG ASN A 104 27.323 10.777 -15.965 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.520 11.403 -16.629 1.00 3.15 O ATOM 1619 ND2 ASN A 104 28.239 10.057 -16.553 1.00 2.38 N ATOM 0 H ASN A 104 24.988 9.478 -13.499 1.00 0.00 H new ATOM 0 HA ASN A 104 27.758 8.732 -14.424 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.453 11.461 -14.109 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.193 11.262 -14.047 1.00 1.68 H new ATOM 0 HD21 ASN A 104 28.282 10.019 -17.571 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.912 9.532 -15.994 1.00 2.38 H new ATOM 1626 N GLY A 105 28.672 9.467 -12.035 1.00 0.01 N ATOM 1627 CA GLY A 105 29.036 9.456 -10.585 1.00 0.01 C ATOM 1628 C GLY A 105 29.309 8.020 -10.146 1.00 0.01 C ATOM 1629 O GLY A 105 29.489 7.136 -10.961 1.00 0.01 O ATOM 0 H GLY A 105 29.459 9.533 -12.680 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.917 10.075 -10.414 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.227 9.883 -9.992 1.00 0.01 H new ATOM 1633 N GLN A 106 29.327 7.768 -8.868 1.00 0.01 N ATOM 1634 CA GLN A 106 29.568 6.380 -8.394 1.00 0.01 C ATOM 1635 C GLN A 106 28.296 5.563 -8.617 1.00 0.01 C ATOM 1636 O GLN A 106 27.193 6.064 -8.507 1.00 0.01 O ATOM 1637 CB GLN A 106 29.912 6.405 -6.902 1.00 0.01 C ATOM 1638 CG GLN A 106 30.421 5.028 -6.470 1.00 0.01 C ATOM 1639 CD GLN A 106 30.918 5.097 -5.025 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.687 4.260 -4.595 1.00 0.01 O ATOM 1641 NE2 GLN A 106 30.509 6.065 -4.251 1.00 0.01 N ATOM 0 H GLN A 106 29.186 8.462 -8.134 1.00 0.01 H new ATOM 0 HA GLN A 106 30.397 5.933 -8.943 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.671 7.162 -6.706 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.032 6.678 -6.320 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.623 4.290 -6.556 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.227 4.704 -7.128 1.00 0.01 H new ATOM 0 HE21 GLN A 106 29.864 6.768 -4.611 1.00 0.01 H new ATOM 0 HE22 GLN A 106 30.835 6.119 -3.286 1.00 0.01 H new ATOM 1650 N MET A 107 28.455 4.308 -8.952 1.00 0.01 N ATOM 1651 CA MET A 107 27.272 3.424 -9.209 1.00 0.01 C ATOM 1652 C MET A 107 27.237 2.292 -8.183 1.00 0.01 C ATOM 1653 O MET A 107 28.253 1.741 -7.809 1.00 0.01 O ATOM 1654 CB MET A 107 27.383 2.821 -10.617 1.00 0.00 C ATOM 1655 CG MET A 107 26.255 1.804 -10.847 1.00 0.01 C ATOM 1656 SD MET A 107 26.752 0.190 -10.194 1.00 0.01 S ATOM 1657 CE MET A 107 27.534 -0.437 -11.701 1.00 0.01 C ATOM 0 H MET A 107 29.361 3.852 -9.060 1.00 0.01 H new ATOM 0 HA MET A 107 26.360 4.015 -9.129 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.328 3.612 -11.365 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.351 2.335 -10.738 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.342 2.141 -10.356 1.00 0.01 H new ATOM 0 HG3 MET A 107 26.034 1.725 -11.911 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.919 -1.441 -11.521 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.800 -0.469 -12.506 1.00 0.01 H new ATOM 0 HE3 MET A 107 28.355 0.221 -11.985 1.00 0.01 H new ATOM 1667 N TYR A 108 26.056 1.929 -7.747 1.00 0.01 N ATOM 1668 CA TYR A 108 25.896 0.816 -6.761 1.00 0.00 C ATOM 1669 C TYR A 108 24.795 -0.125 -7.272 1.00 0.01 C ATOM 1670 O TYR A 108 23.772 0.306 -7.760 1.00 0.01 O ATOM 1671 CB TYR A 108 25.490 1.385 -5.402 1.00 0.54 C ATOM 1672 CG TYR A 108 26.690 2.025 -4.745 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.569 1.245 -3.986 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.926 3.397 -4.897 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.685 1.836 -3.380 1.00 1.76 C ATOM 1676 CE2 TYR A 108 28.041 3.988 -4.290 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.921 3.207 -3.531 1.00 1.82 C ATOM 1678 OH TYR A 108 30.021 3.788 -2.931 1.00 2.48 O ATOM 0 H TYR A 108 25.181 2.365 -8.038 1.00 0.01 H new ATOM 0 HA TYR A 108 26.836 0.275 -6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.695 2.120 -5.526 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.094 0.592 -4.767 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.387 0.187 -3.867 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.248 4.000 -5.483 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.364 1.233 -2.796 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.222 5.046 -4.407 1.00 1.51 H new ATOM 0 HH TYR A 108 30.836 3.503 -3.395 1.00 2.48 H new ATOM 1688 N GLU A 109 25.026 -1.410 -7.189 1.00 0.01 N ATOM 1689 CA GLU A 109 24.027 -2.415 -7.693 1.00 0.01 C ATOM 1690 C GLU A 109 23.558 -3.305 -6.543 1.00 0.01 C ATOM 1691 O GLU A 109 24.350 -3.774 -5.750 1.00 0.01 O ATOM 1692 CB GLU A 109 24.714 -3.261 -8.770 1.00 0.01 C ATOM 1693 CG GLU A 109 23.714 -4.256 -9.371 1.00 0.01 C ATOM 1694 CD GLU A 109 23.558 -5.463 -8.439 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.466 -6.278 -8.402 1.00 0.00 O ATOM 1696 OE2 GLU A 109 22.534 -5.549 -7.781 1.00 0.00 O ATOM 0 H GLU A 109 25.872 -1.816 -6.790 1.00 0.01 H new ATOM 0 HA GLU A 109 23.155 -1.910 -8.109 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.112 -2.615 -9.553 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.559 -3.798 -8.339 1.00 0.01 H new ATOM 0 HG2 GLU A 109 22.749 -3.771 -9.518 1.00 0.01 H new ATOM 0 HG3 GLU A 109 24.059 -4.584 -10.352 1.00 0.01 H new ATOM 1703 N THR A 110 22.268 -3.543 -6.440 1.00 0.01 N ATOM 1704 CA THR A 110 21.759 -4.402 -5.327 1.00 0.00 C ATOM 1705 C THR A 110 20.506 -5.179 -5.755 1.00 0.01 C ATOM 1706 O THR A 110 19.736 -4.757 -6.598 1.00 0.01 O ATOM 1707 CB THR A 110 21.416 -3.530 -4.117 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.770 -4.321 -3.132 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.487 -2.397 -4.552 1.00 1.69 C ATOM 0 H THR A 110 21.555 -3.182 -7.074 1.00 0.01 H new ATOM 0 HA THR A 110 22.541 -5.115 -5.067 1.00 0.00 H new ATOM 0 HB THR A 110 22.331 -3.109 -3.701 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.552 -3.763 -2.356 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.243 -1.776 -3.690 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.984 -1.789 -5.308 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.571 -2.817 -4.968 1.00 1.69 H new ATOM 1717 N THR A 111 20.327 -6.331 -5.164 1.00 0.00 N ATOM 1718 CA THR A 111 19.152 -7.206 -5.481 1.00 0.01 C ATOM 1719 C THR A 111 18.200 -7.281 -4.278 1.00 0.01 C ATOM 1720 O THR A 111 17.295 -8.092 -4.256 1.00 0.01 O ATOM 1721 CB THR A 111 19.658 -8.614 -5.815 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.419 -9.113 -4.721 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.534 -8.561 -7.067 1.00 0.01 C ATOM 0 H THR A 111 20.958 -6.713 -4.459 1.00 0.00 H new ATOM 0 HA THR A 111 18.612 -6.787 -6.330 1.00 0.01 H new ATOM 0 HB THR A 111 18.809 -9.272 -5.998 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.742 -10.014 -4.931 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.893 -9.563 -7.303 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.950 -8.178 -7.904 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.385 -7.904 -6.888 1.00 0.01 H new ATOM 1731 N GLU A 112 18.414 -6.470 -3.263 1.00 0.01 N ATOM 1732 CA GLU A 112 17.535 -6.528 -2.039 1.00 0.01 C ATOM 1733 C GLU A 112 16.843 -5.182 -1.770 1.00 0.01 C ATOM 1734 O GLU A 112 17.247 -4.147 -2.263 1.00 0.01 O ATOM 1735 CB GLU A 112 18.403 -6.887 -0.832 1.00 0.85 C ATOM 1736 CG GLU A 112 19.052 -8.253 -1.056 1.00 1.61 C ATOM 1737 CD GLU A 112 19.848 -8.653 0.187 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.266 -8.665 1.259 1.00 3.21 O ATOM 1739 OE2 GLU A 112 21.024 -8.938 0.046 1.00 3.07 O ATOM 0 H GLU A 112 19.157 -5.772 -3.227 1.00 0.01 H new ATOM 0 HA GLU A 112 16.762 -7.278 -2.207 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.171 -6.128 -0.685 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.796 -6.906 0.073 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.287 -9.000 -1.266 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.709 -8.217 -1.925 1.00 1.61 H new ATOM 1746 N ASP A 113 15.811 -5.198 -0.963 1.00 0.01 N ATOM 1747 CA ASP A 113 15.085 -3.938 -0.614 1.00 0.01 C ATOM 1748 C ASP A 113 16.015 -3.068 0.236 1.00 0.00 C ATOM 1749 O ASP A 113 16.911 -3.561 0.892 1.00 0.01 O ATOM 1750 CB ASP A 113 13.836 -4.284 0.203 1.00 0.01 C ATOM 1751 CG ASP A 113 14.175 -5.392 1.203 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.342 -5.539 1.521 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.260 -6.072 1.632 1.00 0.00 O ATOM 0 H ASP A 113 15.437 -6.040 -0.526 1.00 0.01 H new ATOM 0 HA ASP A 113 14.791 -3.408 -1.520 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.476 -3.400 0.730 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.033 -4.609 -0.459 1.00 0.01 H new ATOM 1758 N CYS A 114 15.781 -1.772 0.253 1.00 0.01 N ATOM 1759 CA CYS A 114 16.619 -0.854 1.095 1.00 0.01 C ATOM 1760 C CYS A 114 15.693 0.001 1.991 1.00 0.01 C ATOM 1761 O CYS A 114 14.953 0.820 1.480 1.00 0.01 O ATOM 1762 CB CYS A 114 17.408 0.083 0.185 1.00 0.01 C ATOM 1763 SG CYS A 114 18.629 0.987 1.170 1.00 0.01 S ATOM 0 H CYS A 114 15.044 -1.311 -0.281 1.00 0.01 H new ATOM 0 HA CYS A 114 17.299 -1.444 1.709 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.906 -0.487 -0.599 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.733 0.782 -0.309 1.00 0.01 H new ATOM 0 HG CYS A 114 18.842 0.353 2.285 1.00 0.01 H new ATOM 1769 N PRO A 115 15.724 -0.134 3.310 1.00 0.01 N ATOM 1770 CA PRO A 115 14.848 0.716 4.167 1.00 0.01 C ATOM 1771 C PRO A 115 15.389 2.148 4.256 1.00 0.01 C ATOM 1772 O PRO A 115 14.641 3.092 4.440 1.00 0.01 O ATOM 1773 CB PRO A 115 14.917 -0.005 5.524 1.00 0.01 C ATOM 1774 CG PRO A 115 16.148 -0.934 5.502 1.00 0.01 C ATOM 1775 CD PRO A 115 16.588 -1.115 4.034 1.00 0.01 C ATOM 0 HA PRO A 115 13.831 0.824 3.790 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.998 0.717 6.337 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.007 -0.580 5.698 1.00 0.01 H new ATOM 0 HG2 PRO A 115 16.958 -0.506 6.092 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.905 -1.898 5.948 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.648 -0.898 3.899 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.424 -2.134 3.685 1.00 0.01 H new ATOM 1783 N SER A 116 16.679 2.315 4.139 1.00 0.01 N ATOM 1784 CA SER A 116 17.276 3.682 4.222 1.00 0.02 C ATOM 1785 C SER A 116 18.437 3.786 3.230 1.00 0.01 C ATOM 1786 O SER A 116 19.477 3.173 3.395 1.00 0.00 O ATOM 1787 CB SER A 116 17.786 3.921 5.645 1.00 0.01 C ATOM 1788 OG SER A 116 16.702 3.825 6.558 1.00 0.01 O ATOM 0 H SER A 116 17.349 1.561 3.989 1.00 0.01 H new ATOM 0 HA SER A 116 16.524 4.432 3.976 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.553 3.188 5.896 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.250 4.905 5.716 1.00 0.01 H new ATOM 0 HG SER A 116 17.028 3.976 7.470 1.00 0.01 H new ATOM 1794 N ILE A 117 18.240 4.540 2.180 1.00 0.01 N ATOM 1795 CA ILE A 117 19.290 4.688 1.132 1.00 0.01 C ATOM 1796 C ILE A 117 20.542 5.346 1.713 1.00 0.01 C ATOM 1797 O ILE A 117 21.648 4.996 1.350 1.00 0.00 O ATOM 1798 CB ILE A 117 18.735 5.560 -0.001 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.601 4.808 -0.705 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.840 5.874 -1.012 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.849 5.764 -1.632 1.00 1.83 C ATOM 0 H ILE A 117 17.384 5.066 2.003 1.00 0.01 H new ATOM 0 HA ILE A 117 19.561 3.702 0.755 1.00 0.01 H new ATOM 0 HB ILE A 117 18.359 6.494 0.416 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.005 3.973 -1.277 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.917 4.387 0.032 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.436 6.494 -1.812 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.649 6.408 -0.513 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.224 4.944 -1.432 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.043 5.227 -2.132 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.431 6.584 -1.048 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.536 6.163 -2.378 1.00 1.83 H new ATOM 1813 N MET A 118 20.387 6.310 2.578 1.00 0.02 N ATOM 1814 CA MET A 118 21.591 6.991 3.129 1.00 0.01 C ATOM 1815 C MET A 118 22.368 6.039 4.038 1.00 0.01 C ATOM 1816 O MET A 118 23.579 6.050 4.062 1.00 0.02 O ATOM 1817 CB MET A 118 21.183 8.238 3.917 1.00 0.24 C ATOM 1818 CG MET A 118 22.419 9.100 4.179 1.00 0.63 C ATOM 1819 SD MET A 118 22.033 10.345 5.432 1.00 1.20 S ATOM 1820 CE MET A 118 22.522 9.371 6.876 1.00 1.34 C ATOM 0 H MET A 118 19.490 6.652 2.923 1.00 0.02 H new ATOM 0 HA MET A 118 22.229 7.290 2.297 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.440 8.808 3.359 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.720 7.950 4.861 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.246 8.475 4.515 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.740 9.584 3.257 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.364 9.958 7.781 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.921 8.463 6.923 1.00 1.34 H new ATOM 0 HE3 MET A 118 23.576 9.105 6.795 1.00 1.34 H new ATOM 1830 N GLU A 119 21.705 5.216 4.790 1.00 0.01 N ATOM 1831 CA GLU A 119 22.450 4.292 5.686 1.00 0.02 C ATOM 1832 C GLU A 119 23.183 3.232 4.856 1.00 0.02 C ATOM 1833 O GLU A 119 24.274 2.814 5.190 1.00 0.01 O ATOM 1834 CB GLU A 119 21.466 3.602 6.632 1.00 0.30 C ATOM 1835 CG GLU A 119 22.236 2.901 7.751 1.00 0.99 C ATOM 1836 CD GLU A 119 22.820 3.945 8.705 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.530 5.116 8.520 1.00 2.11 O ATOM 1838 OE2 GLU A 119 23.548 3.558 9.603 1.00 2.07 O ATOM 0 H GLU A 119 20.688 5.140 4.826 1.00 0.01 H new ATOM 0 HA GLU A 119 23.179 4.863 6.261 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.778 4.334 7.054 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.864 2.878 6.082 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.574 2.227 8.295 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.035 2.291 7.330 1.00 0.99 H new ATOM 1845 N GLN A 120 22.563 2.755 3.812 1.00 0.00 N ATOM 1846 CA GLN A 120 23.193 1.672 2.999 1.00 0.01 C ATOM 1847 C GLN A 120 24.249 2.215 2.028 1.00 0.01 C ATOM 1848 O GLN A 120 25.311 1.642 1.883 1.00 0.01 O ATOM 1849 CB GLN A 120 22.106 0.946 2.205 1.00 0.52 C ATOM 1850 CG GLN A 120 22.725 -0.225 1.438 1.00 1.07 C ATOM 1851 CD GLN A 120 21.623 -1.187 0.988 1.00 1.08 C ATOM 1852 OE1 GLN A 120 21.649 -1.686 -0.120 1.00 0.98 O ATOM 1853 NE2 GLN A 120 20.647 -1.471 1.807 1.00 2.08 N ATOM 0 H GLN A 120 21.648 3.067 3.486 1.00 0.00 H new ATOM 0 HA GLN A 120 23.694 0.990 3.685 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.330 0.583 2.879 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.627 1.636 1.510 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.274 0.145 0.572 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.442 -0.748 2.071 1.00 1.07 H new ATOM 0 HE21 GLN A 120 20.624 -1.053 2.737 1.00 2.08 H new ATOM 0 HE22 GLN A 120 19.908 -2.111 1.517 1.00 2.08 H new ATOM 1862 N PHE A 121 23.940 3.271 1.314 1.00 0.02 N ATOM 1863 CA PHE A 121 24.903 3.802 0.283 1.00 0.01 C ATOM 1864 C PHE A 121 25.506 5.150 0.682 1.00 0.01 C ATOM 1865 O PHE A 121 26.293 5.717 -0.050 1.00 0.01 O ATOM 1866 CB PHE A 121 24.163 3.960 -1.043 1.00 0.01 C ATOM 1867 CG PHE A 121 23.417 2.686 -1.363 1.00 0.01 C ATOM 1868 CD1 PHE A 121 22.110 2.503 -0.897 1.00 0.01 C ATOM 1869 CD2 PHE A 121 24.032 1.690 -2.129 1.00 0.01 C ATOM 1870 CE1 PHE A 121 21.419 1.324 -1.197 1.00 0.01 C ATOM 1871 CE2 PHE A 121 23.341 0.511 -2.430 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.033 0.327 -1.964 1.00 0.01 C ATOM 0 H PHE A 121 23.066 3.791 1.396 1.00 0.02 H new ATOM 0 HA PHE A 121 25.724 3.090 0.197 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.466 4.796 -0.985 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.870 4.189 -1.840 1.00 0.01 H new ATOM 0 HD1 PHE A 121 21.635 3.272 -0.306 1.00 0.01 H new ATOM 0 HD2 PHE A 121 25.041 1.831 -2.488 1.00 0.01 H new ATOM 0 HE1 PHE A 121 20.411 1.183 -0.836 1.00 0.01 H new ATOM 0 HE2 PHE A 121 23.816 -0.257 -3.022 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.499 -0.583 -2.196 1.00 0.01 H new ATOM 1882 N HIS A 122 25.152 5.683 1.816 1.00 0.01 N ATOM 1883 CA HIS A 122 25.718 6.997 2.224 1.00 0.01 C ATOM 1884 C HIS A 122 25.356 8.054 1.177 1.00 0.01 C ATOM 1885 O HIS A 122 26.106 8.977 0.928 1.00 0.02 O ATOM 1886 CB HIS A 122 27.240 6.874 2.354 1.00 0.01 C ATOM 1887 CG HIS A 122 27.584 5.547 2.967 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.296 5.245 4.289 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.193 4.427 2.454 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.726 3.991 4.525 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.282 3.447 3.438 1.00 0.01 N ATOM 0 H HIS A 122 24.496 5.267 2.477 1.00 0.01 H new ATOM 0 HA HIS A 122 25.303 7.298 3.186 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.708 6.966 1.374 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.630 7.684 2.971 1.00 0.01 H new ATOM 0 HD2 HIS A 122 28.549 4.323 1.440 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.633 3.487 5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.685 2.514 3.349 1.00 0.01 H new ATOM 1899 N LEU A 123 24.198 7.924 0.565 1.00 0.01 N ATOM 1900 CA LEU A 123 23.759 8.917 -0.474 1.00 0.01 C ATOM 1901 C LEU A 123 22.558 9.695 0.067 1.00 0.02 C ATOM 1902 O LEU A 123 21.647 9.132 0.638 1.00 0.01 O ATOM 1903 CB LEU A 123 23.348 8.165 -1.758 1.00 0.01 C ATOM 1904 CG LEU A 123 24.573 7.929 -2.666 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.301 6.758 -3.618 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.856 9.181 -3.508 1.00 0.01 C ATOM 0 H LEU A 123 23.535 7.169 0.742 1.00 0.01 H new ATOM 0 HA LEU A 123 24.574 9.603 -0.703 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.893 7.210 -1.496 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.595 8.740 -2.297 1.00 0.01 H new ATOM 0 HG LEU A 123 25.431 7.706 -2.032 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.170 6.598 -4.256 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.105 5.856 -3.038 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.434 6.987 -4.238 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.722 9.003 -4.145 1.00 0.01 H new ATOM 0 HD22 LEU A 123 23.989 9.405 -4.129 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.058 10.025 -2.848 1.00 0.01 H new ATOM 1918 N ARG A 124 22.550 10.994 -0.106 1.00 0.01 N ATOM 1919 CA ARG A 124 21.411 11.814 0.402 1.00 0.00 C ATOM 1920 C ARG A 124 20.336 11.965 -0.683 1.00 0.01 C ATOM 1921 O ARG A 124 19.188 12.241 -0.395 1.00 0.01 O ATOM 1922 CB ARG A 124 21.919 13.200 0.799 1.00 1.67 C ATOM 1923 CG ARG A 124 22.962 13.063 1.910 1.00 1.98 C ATOM 1924 CD ARG A 124 23.634 14.416 2.151 1.00 2.92 C ATOM 1925 NE ARG A 124 24.553 14.724 1.021 1.00 3.54 N ATOM 1926 CZ ARG A 124 25.005 15.938 0.859 1.00 4.57 C ATOM 1927 NH1 ARG A 124 24.654 16.880 1.691 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.808 16.209 -0.133 1.00 5.32 N ATOM 0 H ARG A 124 23.285 11.521 -0.578 1.00 0.01 H new ATOM 0 HA ARG A 124 20.977 11.313 1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.356 13.700 -0.065 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.089 13.819 1.139 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.488 12.712 2.827 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.709 12.319 1.632 1.00 1.98 H new ATOM 0 HD2 ARG A 124 22.879 15.197 2.243 1.00 2.92 H new ATOM 0 HD3 ARG A 124 24.188 14.396 3.089 1.00 2.92 H new ATOM 0 HE ARG A 124 24.830 13.986 0.373 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.027 16.667 2.467 1.00 5.25 H new ATOM 0 HH12 ARG A 124 25.007 17.829 1.565 1.00 5.25 H new ATOM 0 HH21 ARG A 124 26.083 15.472 -0.783 1.00 5.32 H new ATOM 0 HH22 ARG A 124 26.161 17.158 -0.259 1.00 5.32 H new ATOM 1942 N GLU A 125 20.702 11.805 -1.932 1.00 0.01 N ATOM 1943 CA GLU A 125 19.713 11.963 -3.040 1.00 0.01 C ATOM 1944 C GLU A 125 20.097 11.055 -4.213 1.00 0.01 C ATOM 1945 O GLU A 125 21.215 10.590 -4.311 1.00 0.01 O ATOM 1946 CB GLU A 125 19.724 13.414 -3.525 1.00 0.01 C ATOM 1947 CG GLU A 125 19.133 14.319 -2.446 1.00 0.01 C ATOM 1948 CD GLU A 125 18.951 15.732 -3.006 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.940 16.323 -3.402 1.00 0.02 O ATOM 1950 OE2 GLU A 125 17.826 16.201 -3.028 1.00 0.01 O ATOM 0 H GLU A 125 21.649 11.571 -2.231 1.00 0.01 H new ATOM 0 HA GLU A 125 18.723 11.694 -2.673 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.743 13.723 -3.755 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.148 13.505 -4.446 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.174 13.924 -2.110 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.790 14.343 -1.577 1.00 0.01 H new ATOM 1957 N ILE A 126 19.180 10.827 -5.124 1.00 0.01 N ATOM 1958 CA ILE A 126 19.483 9.980 -6.327 1.00 0.01 C ATOM 1959 C ILE A 126 18.986 10.737 -7.562 1.00 0.01 C ATOM 1960 O ILE A 126 17.863 11.198 -7.592 1.00 0.01 O ATOM 1961 CB ILE A 126 18.766 8.626 -6.212 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.535 7.751 -5.213 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.729 7.930 -7.587 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.805 6.423 -5.001 1.00 1.70 C ATOM 0 H ILE A 126 18.229 11.193 -5.087 1.00 0.01 H new ATOM 0 HA ILE A 126 20.554 9.789 -6.402 1.00 0.01 H new ATOM 0 HB ILE A 126 17.742 8.778 -5.869 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.543 7.565 -5.583 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.636 8.275 -4.262 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.219 6.971 -7.496 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.195 8.559 -8.299 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.747 7.767 -7.940 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.361 5.812 -4.290 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.806 6.615 -4.610 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.728 5.895 -5.951 1.00 1.70 H new ATOM 1976 N HIS A 127 19.823 10.902 -8.562 1.00 0.01 N ATOM 1977 CA HIS A 127 19.402 11.676 -9.777 1.00 0.01 C ATOM 1978 C HIS A 127 19.178 10.772 -10.993 1.00 0.01 C ATOM 1979 O HIS A 127 18.600 11.186 -11.978 1.00 0.01 O ATOM 1980 CB HIS A 127 20.466 12.726 -10.113 1.00 0.02 C ATOM 1981 CG HIS A 127 20.842 13.477 -8.866 1.00 0.01 C ATOM 1982 ND1 HIS A 127 21.309 12.836 -7.728 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.823 14.816 -8.560 1.00 0.01 C ATOM 1984 CE1 HIS A 127 21.549 13.780 -6.801 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.270 15.004 -7.254 1.00 0.02 N ATOM 0 H HIS A 127 20.775 10.536 -8.590 1.00 0.01 H new ATOM 0 HA HIS A 127 18.453 12.158 -9.544 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.346 12.244 -10.539 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.085 13.417 -10.865 1.00 0.02 H new ATOM 0 HD2 HIS A 127 20.509 15.603 -9.230 1.00 0.01 H new ATOM 0 HE1 HIS A 127 21.923 13.573 -5.809 1.00 0.01 H new ATOM 0 HE2 HIS A 127 21.364 15.887 -6.752 1.00 0.02 H new ATOM 1993 N SER A 128 19.600 9.535 -10.929 1.00 0.01 N ATOM 1994 CA SER A 128 19.374 8.609 -12.076 1.00 0.01 C ATOM 1995 C SER A 128 19.489 7.164 -11.582 1.00 0.01 C ATOM 1996 O SER A 128 20.175 6.881 -10.616 1.00 0.01 O ATOM 1997 CB SER A 128 20.425 8.868 -13.154 1.00 0.01 C ATOM 1998 OG SER A 128 20.477 7.755 -14.034 1.00 0.01 O ATOM 0 H SER A 128 20.090 9.128 -10.133 1.00 0.01 H new ATOM 0 HA SER A 128 18.382 8.775 -12.495 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.179 9.774 -13.708 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.401 9.030 -12.696 1.00 0.01 H new ATOM 0 HG SER A 128 21.353 7.321 -13.961 1.00 0.01 H new ATOM 2004 N CYS A 129 18.814 6.248 -12.224 1.00 0.01 N ATOM 2005 CA CYS A 129 18.879 4.823 -11.785 1.00 0.01 C ATOM 2006 C CYS A 129 18.210 3.944 -12.844 1.00 0.00 C ATOM 2007 O CYS A 129 17.253 4.352 -13.469 1.00 0.01 O ATOM 2008 CB CYS A 129 18.152 4.661 -10.447 1.00 0.69 C ATOM 2009 SG CYS A 129 16.531 5.463 -10.537 1.00 1.22 S ATOM 0 H CYS A 129 18.220 6.425 -13.034 1.00 0.01 H new ATOM 0 HA CYS A 129 19.920 4.524 -11.663 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.033 3.603 -10.212 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.743 5.102 -9.644 1.00 0.69 H new ATOM 0 HG CYS A 129 16.067 5.370 -11.748 1.00 1.22 H new ATOM 2015 N LYS A 130 18.708 2.743 -13.061 1.00 0.01 N ATOM 2016 CA LYS A 130 18.094 1.846 -14.097 1.00 0.01 C ATOM 2017 C LYS A 130 17.728 0.490 -13.474 1.00 0.01 C ATOM 2018 O LYS A 130 18.569 -0.309 -13.110 1.00 0.01 O ATOM 2019 CB LYS A 130 19.088 1.634 -15.248 1.00 0.55 C ATOM 2020 CG LYS A 130 18.343 1.152 -16.495 1.00 0.80 C ATOM 2021 CD LYS A 130 19.350 0.641 -17.527 1.00 0.29 C ATOM 2022 CE LYS A 130 18.609 0.216 -18.794 1.00 0.33 C ATOM 2023 NZ LYS A 130 18.131 1.427 -19.519 1.00 1.41 N ATOM 0 H LYS A 130 19.509 2.349 -12.567 1.00 0.01 H new ATOM 0 HA LYS A 130 17.188 2.315 -14.480 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.612 2.565 -15.464 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.843 0.903 -14.959 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.644 0.359 -16.230 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.755 1.967 -16.918 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.075 1.421 -17.761 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.909 -0.202 -17.120 1.00 0.29 H new ATOM 0 HE2 LYS A 130 19.269 -0.368 -19.435 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.765 -0.424 -18.537 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 17.794 1.155 -20.465 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 17.352 1.865 -18.987 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 18.912 2.107 -19.612 1.00 1.41 H new ATOM 2037 N VAL A 131 16.453 0.246 -13.375 1.00 0.01 N ATOM 2038 CA VAL A 131 15.922 -1.032 -12.818 1.00 0.01 C ATOM 2039 C VAL A 131 15.261 -1.788 -13.968 1.00 0.01 C ATOM 2040 O VAL A 131 14.513 -1.206 -14.726 1.00 0.01 O ATOM 2041 CB VAL A 131 14.881 -0.732 -11.736 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.711 0.039 -12.348 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.371 -2.045 -11.141 1.00 0.01 C ATOM 0 H VAL A 131 15.730 0.903 -13.668 1.00 0.01 H new ATOM 0 HA VAL A 131 16.723 -1.622 -12.373 1.00 0.01 H new ATOM 0 HB VAL A 131 15.339 -0.130 -10.951 1.00 0.01 H new ATOM 0 HG11 VAL A 131 12.971 0.251 -11.576 1.00 0.01 H new ATOM 0 HG12 VAL A 131 14.074 0.976 -12.770 1.00 0.01 H new ATOM 0 HG13 VAL A 131 13.252 -0.560 -13.135 1.00 0.01 H new ATOM 0 HG21 VAL A 131 13.630 -1.832 -10.371 1.00 0.01 H new ATOM 0 HG22 VAL A 131 13.915 -2.648 -11.927 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.204 -2.593 -10.701 1.00 0.01 H new ATOM 2053 N VAL A 132 15.471 -3.083 -14.094 1.00 0.01 N ATOM 2054 CA VAL A 132 14.796 -3.852 -15.167 1.00 0.01 C ATOM 2055 C VAL A 132 14.127 -5.045 -14.501 1.00 0.00 C ATOM 2056 O VAL A 132 14.695 -6.105 -14.326 1.00 0.01 O ATOM 2057 CB VAL A 132 15.838 -4.340 -16.177 1.00 1.22 C ATOM 2058 CG1 VAL A 132 15.137 -5.051 -17.335 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.625 -3.145 -16.716 1.00 1.98 C ATOM 0 H VAL A 132 16.085 -3.631 -13.492 1.00 0.01 H new ATOM 0 HA VAL A 132 14.065 -3.239 -15.694 1.00 0.01 H new ATOM 0 HB VAL A 132 16.520 -5.034 -15.685 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.881 -5.398 -18.053 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.577 -5.904 -16.952 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.453 -4.359 -17.826 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.367 -3.492 -17.435 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.942 -2.451 -17.206 1.00 1.98 H new ATOM 0 HG23 VAL A 132 17.128 -2.639 -15.892 1.00 1.98 H new ATOM 2069 N GLU A 133 12.900 -4.856 -14.174 1.00 0.01 N ATOM 2070 CA GLU A 133 12.063 -5.918 -13.551 1.00 0.01 C ATOM 2071 C GLU A 133 10.649 -5.694 -14.071 1.00 0.01 C ATOM 2072 O GLU A 133 10.198 -6.342 -14.994 1.00 0.01 O ATOM 2073 CB GLU A 133 12.099 -5.782 -12.023 1.00 0.00 C ATOM 2074 CG GLU A 133 11.224 -6.863 -11.378 1.00 0.00 C ATOM 2075 CD GLU A 133 11.776 -8.248 -11.726 1.00 0.00 C ATOM 2076 OE1 GLU A 133 12.947 -8.329 -12.063 1.00 0.00 O ATOM 2077 OE2 GLU A 133 11.020 -9.203 -11.650 1.00 0.00 O ATOM 0 H GLU A 133 12.410 -3.972 -14.315 1.00 0.01 H new ATOM 0 HA GLU A 133 12.423 -6.916 -13.799 1.00 0.01 H new ATOM 0 HB2 GLU A 133 13.125 -5.872 -11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.745 -4.794 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.203 -6.730 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.197 -6.771 -11.730 1.00 0.00 H new ATOM 2084 N GLY A 134 9.944 -4.774 -13.473 1.00 0.01 N ATOM 2085 CA GLY A 134 8.552 -4.490 -13.908 1.00 0.01 C ATOM 2086 C GLY A 134 7.997 -3.355 -13.047 1.00 0.01 C ATOM 2087 O GLY A 134 7.954 -2.213 -13.465 1.00 0.01 O ATOM 0 H GLY A 134 10.277 -4.204 -12.696 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.534 -4.210 -14.961 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.933 -5.381 -13.804 1.00 0.01 H new ATOM 2091 N THR A 135 7.575 -3.660 -11.840 1.00 0.01 N ATOM 2092 CA THR A 135 7.024 -2.606 -10.928 1.00 0.01 C ATOM 2093 C THR A 135 7.880 -2.511 -9.653 1.00 0.01 C ATOM 2094 O THR A 135 8.045 -3.465 -8.922 1.00 0.01 O ATOM 2095 CB THR A 135 5.577 -2.952 -10.564 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.163 -2.134 -9.481 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.466 -4.427 -10.170 1.00 2.30 C ATOM 0 H THR A 135 7.589 -4.601 -11.446 1.00 0.01 H new ATOM 0 HA THR A 135 7.047 -1.642 -11.437 1.00 0.01 H new ATOM 0 HB THR A 135 4.937 -2.774 -11.428 1.00 1.43 H new ATOM 0 HG1 THR A 135 4.187 -2.042 -9.495 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.432 -4.658 -9.914 1.00 2.30 H new ATOM 0 HG22 THR A 135 5.781 -5.052 -11.006 1.00 2.30 H new ATOM 0 HG23 THR A 135 6.105 -4.623 -9.309 1.00 2.30 H new ATOM 2105 N TRP A 136 8.413 -1.345 -9.386 1.00 0.01 N ATOM 2106 CA TRP A 136 9.256 -1.119 -8.164 1.00 0.01 C ATOM 2107 C TRP A 136 8.644 0.070 -7.416 1.00 0.01 C ATOM 2108 O TRP A 136 8.067 0.941 -8.039 1.00 0.00 O ATOM 2109 CB TRP A 136 10.704 -0.798 -8.583 1.00 0.01 C ATOM 2110 CG TRP A 136 11.505 -2.061 -8.688 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.197 -3.118 -9.474 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.741 -2.408 -8.002 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.162 -4.094 -9.308 1.00 0.00 N ATOM 2114 CE2 TRP A 136 13.136 -3.704 -8.410 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.548 -1.731 -7.072 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.293 -4.307 -7.912 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.712 -2.334 -6.571 1.00 0.01 C ATOM 2118 CH2 TRP A 136 15.084 -3.620 -6.990 1.00 0.01 C ATOM 0 H TRP A 136 8.298 -0.520 -9.975 1.00 0.01 H new ATOM 0 HA TRP A 136 9.279 -2.005 -7.529 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.706 -0.277 -9.540 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.161 -0.128 -7.854 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.338 -3.188 -10.125 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.155 -4.993 -9.790 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.271 -0.741 -6.741 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.574 -5.298 -8.238 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.326 -1.804 -5.858 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.981 -4.078 -6.600 1.00 0.01 H new ATOM 2129 N ILE A 137 8.762 0.152 -6.103 1.00 0.01 N ATOM 2130 CA ILE A 137 8.175 1.325 -5.373 1.00 0.00 C ATOM 2131 C ILE A 137 9.268 2.069 -4.606 1.00 0.01 C ATOM 2132 O ILE A 137 10.104 1.482 -3.949 1.00 0.01 O ATOM 2133 CB ILE A 137 7.123 0.842 -4.372 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.026 0.082 -5.122 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.515 2.054 -3.660 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.054 -0.560 -4.125 1.00 1.69 C ATOM 0 H ILE A 137 9.234 -0.535 -5.515 1.00 0.01 H new ATOM 0 HA ILE A 137 7.718 1.992 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 137 7.584 0.182 -3.637 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.487 0.763 -5.781 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.472 -0.687 -5.753 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.764 1.717 -2.945 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.299 2.598 -3.134 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.048 2.711 -4.394 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.278 -1.098 -4.669 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.596 -1.255 -3.484 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.596 0.216 -3.512 1.00 1.69 H new ATOM 2148 N PHE A 138 9.229 3.372 -4.675 1.00 0.01 N ATOM 2149 CA PHE A 138 10.216 4.227 -3.951 1.00 0.01 C ATOM 2150 C PHE A 138 9.449 5.038 -2.910 1.00 0.01 C ATOM 2151 O PHE A 138 8.330 5.431 -3.149 1.00 0.00 O ATOM 2152 CB PHE A 138 10.893 5.161 -4.951 1.00 1.11 C ATOM 2153 CG PHE A 138 11.908 4.377 -5.753 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.212 4.223 -5.271 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.543 3.802 -6.977 1.00 1.54 C ATOM 2156 CE1 PHE A 138 14.152 3.494 -6.009 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.483 3.072 -7.714 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.788 2.918 -7.231 1.00 2.49 C ATOM 0 H PHE A 138 8.538 3.893 -5.216 1.00 0.01 H new ATOM 0 HA PHE A 138 10.981 3.621 -3.465 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.150 5.603 -5.615 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.381 5.982 -4.427 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.494 4.667 -4.328 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.537 3.922 -7.352 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.158 3.376 -5.635 1.00 2.01 H new ATOM 0 HE2 PHE A 138 12.201 2.627 -8.657 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.513 2.355 -7.801 1.00 2.49 H new ATOM 2168 N TYR A 139 10.035 5.294 -1.761 1.00 0.01 N ATOM 2169 CA TYR A 139 9.331 6.089 -0.701 1.00 0.01 C ATOM 2170 C TYR A 139 10.179 7.308 -0.322 1.00 0.01 C ATOM 2171 O TYR A 139 11.398 7.263 -0.343 1.00 0.01 O ATOM 2172 CB TYR A 139 9.113 5.217 0.537 1.00 0.01 C ATOM 2173 CG TYR A 139 8.462 3.913 0.130 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.211 2.938 -0.537 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.113 3.678 0.429 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.613 1.728 -0.907 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.516 2.468 0.058 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.265 1.491 -0.611 1.00 0.02 C ATOM 2179 OH TYR A 139 6.679 0.297 -0.975 1.00 0.00 O ATOM 0 H TYR A 139 10.974 4.985 -1.512 1.00 0.01 H new ATOM 0 HA TYR A 139 8.367 6.423 -1.085 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.066 5.022 1.029 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.484 5.740 1.257 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.251 3.119 -0.766 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.535 4.430 0.945 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.192 0.976 -1.422 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.476 2.287 0.288 1.00 0.02 H new ATOM 0 HH TYR A 139 5.740 0.294 -0.694 1.00 0.00 H new ATOM 2189 N GLU A 140 9.540 8.415 -0.033 1.00 0.01 N ATOM 2190 CA GLU A 140 10.285 9.672 0.274 1.00 0.02 C ATOM 2191 C GLU A 140 10.912 9.634 1.671 1.00 0.01 C ATOM 2192 O GLU A 140 11.929 10.258 1.894 1.00 0.01 O ATOM 2193 CB GLU A 140 9.284 10.828 0.205 1.00 0.01 C ATOM 2194 CG GLU A 140 10.026 12.158 0.354 1.00 0.02 C ATOM 2195 CD GLU A 140 9.069 13.313 0.055 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.161 13.520 0.842 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.262 13.971 -0.953 1.00 0.02 O ATOM 0 H GLU A 140 8.524 8.500 0.003 1.00 0.01 H new ATOM 0 HA GLU A 140 11.094 9.793 -0.446 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.749 10.803 -0.744 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.539 10.725 0.994 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.424 12.254 1.364 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.876 12.191 -0.327 1.00 0.02 H new ATOM 2204 N LEU A 141 10.334 8.926 2.622 1.00 0.01 N ATOM 2205 CA LEU A 141 10.933 8.891 4.002 1.00 0.02 C ATOM 2206 C LEU A 141 11.390 7.451 4.313 1.00 0.01 C ATOM 2207 O LEU A 141 10.865 6.503 3.758 1.00 0.01 O ATOM 2208 CB LEU A 141 9.850 9.324 5.012 1.00 0.57 C ATOM 2209 CG LEU A 141 9.798 10.863 5.114 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.427 11.295 5.644 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.883 11.376 6.073 1.00 1.24 C ATOM 0 H LEU A 141 9.483 8.377 2.504 1.00 0.01 H new ATOM 0 HA LEU A 141 11.790 9.562 4.067 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.878 8.940 4.701 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.063 8.895 5.991 1.00 0.57 H new ATOM 0 HG LEU A 141 9.968 11.281 4.122 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.391 12.382 5.716 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.649 10.950 4.963 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.265 10.861 6.630 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.831 12.463 6.133 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.724 10.950 7.064 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.865 11.079 5.704 1.00 1.24 H new ATOM 2223 N PRO A 142 12.361 7.277 5.195 1.00 0.01 N ATOM 2224 CA PRO A 142 12.856 5.912 5.538 1.00 0.01 C ATOM 2225 C PRO A 142 11.734 4.981 6.020 1.00 0.01 C ATOM 2226 O PRO A 142 10.638 5.393 6.345 1.00 0.01 O ATOM 2227 CB PRO A 142 13.880 6.189 6.662 1.00 0.01 C ATOM 2228 CG PRO A 142 13.832 7.690 7.003 1.00 0.02 C ATOM 2229 CD PRO A 142 13.032 8.407 5.904 1.00 0.01 C ATOM 0 HA PRO A 142 13.280 5.395 4.678 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.646 5.592 7.544 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.882 5.905 6.341 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.364 7.844 7.975 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.841 8.098 7.066 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.310 9.109 6.321 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.680 8.976 5.237 1.00 0.01 H new ATOM 2237 N ASN A 143 12.055 3.718 6.085 1.00 0.01 N ATOM 2238 CA ASN A 143 11.086 2.695 6.566 1.00 0.01 C ATOM 2239 C ASN A 143 9.830 2.666 5.693 1.00 0.01 C ATOM 2240 O ASN A 143 8.751 2.333 6.144 1.00 0.01 O ATOM 2241 CB ASN A 143 10.691 3.013 8.010 1.00 0.23 C ATOM 2242 CG ASN A 143 10.008 1.794 8.632 1.00 0.11 C ATOM 2243 OD1 ASN A 143 8.840 1.551 8.394 1.00 0.75 O ATOM 2244 ND2 ASN A 143 10.688 1.013 9.425 1.00 0.56 N ATOM 0 H ASN A 143 12.967 3.346 5.819 1.00 0.01 H new ATOM 0 HA ASN A 143 11.564 1.717 6.510 1.00 0.01 H new ATOM 0 HB2 ASN A 143 11.574 3.283 8.589 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.019 3.871 8.034 1.00 0.23 H new ATOM 0 HD21 ASN A 143 10.240 0.199 9.845 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.667 1.217 9.625 1.00 0.56 H new ATOM 2251 N TYR A 144 9.975 2.974 4.434 1.00 0.01 N ATOM 2252 CA TYR A 144 8.816 2.928 3.496 1.00 0.02 C ATOM 2253 C TYR A 144 7.682 3.848 3.969 1.00 0.01 C ATOM 2254 O TYR A 144 6.544 3.433 4.071 1.00 0.01 O ATOM 2255 CB TYR A 144 8.310 1.475 3.400 1.00 0.01 C ATOM 2256 CG TYR A 144 9.475 0.527 3.607 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.543 0.529 2.703 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.495 -0.340 4.710 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.627 -0.334 2.897 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.581 -1.201 4.905 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.648 -1.198 3.999 1.00 0.01 C ATOM 2262 OH TYR A 144 12.719 -2.047 4.191 1.00 0.01 O ATOM 0 H TYR A 144 10.857 3.259 4.009 1.00 0.01 H new ATOM 0 HA TYR A 144 9.141 3.278 2.516 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.541 1.295 4.151 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.852 1.300 2.426 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.531 1.197 1.855 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.672 -0.343 5.409 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.449 -0.334 2.196 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.596 -1.868 5.755 1.00 0.01 H new ATOM 0 HH TYR A 144 12.575 -2.577 5.002 1.00 0.01 H new ATOM 2272 N ARG A 145 7.987 5.094 4.252 1.00 0.02 N ATOM 2273 CA ARG A 145 6.924 6.053 4.716 1.00 0.01 C ATOM 2274 C ARG A 145 6.937 7.317 3.849 1.00 0.01 C ATOM 2275 O ARG A 145 7.873 7.567 3.118 1.00 0.01 O ATOM 2276 CB ARG A 145 7.198 6.448 6.170 1.00 0.01 C ATOM 2277 CG ARG A 145 7.115 5.210 7.062 1.00 0.02 C ATOM 2278 CD ARG A 145 7.566 5.573 8.479 1.00 0.01 C ATOM 2279 NE ARG A 145 6.747 6.712 8.980 1.00 0.01 N ATOM 2280 CZ ARG A 145 6.746 7.003 10.253 1.00 0.01 C ATOM 2281 NH1 ARG A 145 7.464 6.298 11.084 1.00 0.02 N ATOM 2282 NH2 ARG A 145 6.028 7.999 10.692 1.00 0.01 N ATOM 0 H ARG A 145 8.924 5.490 4.183 1.00 0.02 H new ATOM 0 HA ARG A 145 5.951 5.568 4.634 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.185 6.904 6.254 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.474 7.194 6.497 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.094 4.829 7.080 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.745 4.416 6.660 1.00 0.02 H new ATOM 0 HD2 ARG A 145 7.456 4.713 9.139 1.00 0.01 H new ATOM 0 HD3 ARG A 145 8.622 5.842 8.479 1.00 0.01 H new ATOM 0 HE ARG A 145 6.188 7.264 8.330 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.026 5.520 10.739 1.00 0.02 H new ATOM 0 HH12 ARG A 145 7.463 6.525 12.078 1.00 0.02 H new ATOM 0 HH21 ARG A 145 5.468 8.550 10.041 1.00 0.01 H new ATOM 0 HH22 ARG A 145 6.026 8.227 11.686 1.00 0.01 H new ATOM 2296 N GLY A 146 5.895 8.113 3.917 1.00 0.01 N ATOM 2297 CA GLY A 146 5.836 9.364 3.100 1.00 0.02 C ATOM 2298 C GLY A 146 5.213 9.078 1.731 1.00 0.01 C ATOM 2299 O GLY A 146 4.612 8.049 1.506 1.00 0.02 O ATOM 0 H GLY A 146 5.080 7.947 4.507 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.250 10.120 3.623 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.839 9.770 2.972 1.00 0.02 H new ATOM 2303 N ARG A 147 5.357 9.999 0.817 1.00 0.01 N ATOM 2304 CA ARG A 147 4.780 9.814 -0.546 1.00 0.01 C ATOM 2305 C ARG A 147 5.549 8.711 -1.266 1.00 0.01 C ATOM 2306 O ARG A 147 6.745 8.559 -1.106 1.00 0.01 O ATOM 2307 CB ARG A 147 4.916 11.124 -1.325 1.00 0.01 C ATOM 2308 CG ARG A 147 4.380 10.935 -2.747 1.00 0.01 C ATOM 2309 CD ARG A 147 4.255 12.299 -3.429 1.00 0.01 C ATOM 2310 NE ARG A 147 3.986 12.108 -4.882 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.550 13.105 -5.600 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.354 14.272 -5.049 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.311 12.939 -6.870 1.00 0.02 N ATOM 0 H ARG A 147 5.854 10.879 0.957 1.00 0.01 H new ATOM 0 HA ARG A 147 3.728 9.538 -0.474 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.365 11.918 -0.820 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.961 11.433 -1.358 1.00 0.01 H new ATOM 0 HG2 ARG A 147 5.050 10.291 -3.317 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.409 10.440 -2.719 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.449 12.873 -2.972 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.172 12.872 -3.291 1.00 0.01 H new ATOM 0 HE ARG A 147 4.143 11.198 -5.315 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.542 14.405 -4.055 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.013 15.051 -5.612 1.00 0.01 H new ATOM 0 HH21 ARG A 147 3.465 12.028 -7.303 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.970 13.720 -7.431 1.00 0.02 H new ATOM 2327 N GLN A 148 4.848 7.911 -2.032 1.00 0.01 N ATOM 2328 CA GLN A 148 5.490 6.769 -2.749 1.00 0.01 C ATOM 2329 C GLN A 148 5.437 6.996 -4.262 1.00 0.01 C ATOM 2330 O GLN A 148 4.513 7.593 -4.785 1.00 0.01 O ATOM 2331 CB GLN A 148 4.695 5.503 -2.401 1.00 0.00 C ATOM 2332 CG GLN A 148 4.305 5.539 -0.922 1.00 0.02 C ATOM 2333 CD GLN A 148 3.827 4.153 -0.486 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.711 3.882 0.692 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.543 3.257 -1.393 1.00 0.01 N ATOM 0 H GLN A 148 3.845 8.004 -2.192 1.00 0.01 H new ATOM 0 HA GLN A 148 6.534 6.675 -2.450 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.802 5.439 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.293 4.616 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.158 5.848 -0.318 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.517 6.274 -0.761 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.640 3.484 -2.383 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.224 2.330 -1.112 1.00 0.01 H new ATOM 2344 N TYR A 149 6.424 6.504 -4.970 1.00 0.01 N ATOM 2345 CA TYR A 149 6.462 6.653 -6.461 1.00 0.01 C ATOM 2346 C TYR A 149 6.603 5.268 -7.097 1.00 0.01 C ATOM 2347 O TYR A 149 7.397 4.462 -6.654 1.00 0.01 O ATOM 2348 CB TYR A 149 7.656 7.524 -6.859 1.00 0.01 C ATOM 2349 CG TYR A 149 7.398 8.952 -6.442 1.00 0.01 C ATOM 2350 CD1 TYR A 149 7.759 9.385 -5.161 1.00 0.01 C ATOM 2351 CD2 TYR A 149 6.801 9.843 -7.339 1.00 0.01 C ATOM 2352 CE1 TYR A 149 7.521 10.708 -4.778 1.00 0.01 C ATOM 2353 CE2 TYR A 149 6.562 11.168 -6.957 1.00 0.01 C ATOM 2354 CZ TYR A 149 6.922 11.600 -5.675 1.00 0.01 C ATOM 2355 OH TYR A 149 6.688 12.907 -5.297 1.00 0.01 O ATOM 0 H TYR A 149 7.216 5.998 -4.574 1.00 0.01 H new ATOM 0 HA TYR A 149 5.543 7.125 -6.807 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.564 7.154 -6.384 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.815 7.471 -7.936 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.221 8.697 -4.469 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.524 9.508 -8.328 1.00 0.01 H new ATOM 0 HE1 TYR A 149 7.799 11.042 -3.789 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.101 11.856 -7.650 1.00 0.01 H new ATOM 0 HH TYR A 149 6.267 13.391 -6.038 1.00 0.01 H new ATOM 2365 N LEU A 150 5.835 4.967 -8.118 1.00 0.01 N ATOM 2366 CA LEU A 150 5.926 3.613 -8.757 1.00 0.01 C ATOM 2367 C LEU A 150 6.791 3.708 -10.021 1.00 0.01 C ATOM 2368 O LEU A 150 6.492 4.454 -10.934 1.00 0.01 O ATOM 2369 CB LEU A 150 4.500 3.151 -9.107 1.00 0.01 C ATOM 2370 CG LEU A 150 4.433 1.618 -9.189 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.968 1.180 -9.294 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.206 1.121 -10.418 1.00 0.01 C ATOM 0 H LEU A 150 5.151 5.598 -8.536 1.00 0.01 H new ATOM 0 HA LEU A 150 6.385 2.893 -8.080 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.800 3.511 -8.353 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.195 3.585 -10.059 1.00 0.01 H new ATOM 0 HG LEU A 150 4.882 1.192 -8.292 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.917 0.093 -9.352 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.422 1.522 -8.415 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.522 1.613 -10.189 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.152 0.033 -10.466 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.767 1.547 -11.320 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.249 1.429 -10.341 1.00 0.01 H new ATOM 2384 N LEU A 151 7.854 2.947 -10.084 1.00 0.01 N ATOM 2385 CA LEU A 151 8.742 2.971 -11.291 1.00 0.01 C ATOM 2386 C LEU A 151 8.372 1.787 -12.194 1.00 0.01 C ATOM 2387 O LEU A 151 8.084 0.705 -11.719 1.00 0.01 O ATOM 2388 CB LEU A 151 10.213 2.864 -10.827 1.00 0.01 C ATOM 2389 CG LEU A 151 11.142 3.666 -11.757 1.00 0.01 C ATOM 2390 CD1 LEU A 151 12.551 3.697 -11.156 1.00 0.01 C ATOM 2391 CD2 LEU A 151 11.190 3.013 -13.150 1.00 0.01 C ATOM 0 H LEU A 151 8.148 2.305 -9.348 1.00 0.01 H new ATOM 0 HA LEU A 151 8.615 3.898 -11.850 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.305 3.236 -9.806 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.519 1.818 -10.814 1.00 0.01 H new ATOM 0 HG LEU A 151 10.760 4.682 -11.857 1.00 0.01 H new ATOM 0 HD11 LEU A 151 13.213 4.264 -11.810 1.00 0.01 H new ATOM 0 HD12 LEU A 151 12.518 4.171 -10.175 1.00 0.01 H new ATOM 0 HD13 LEU A 151 12.926 2.678 -11.054 1.00 0.01 H new ATOM 0 HD21 LEU A 151 11.850 3.589 -13.799 1.00 0.01 H new ATOM 0 HD22 LEU A 151 11.567 1.994 -13.061 1.00 0.01 H new ATOM 0 HD23 LEU A 151 10.187 2.993 -13.577 1.00 0.01 H new ATOM 2403 N ASP A 152 8.375 1.983 -13.490 1.00 0.01 N ATOM 2404 CA ASP A 152 8.013 0.874 -14.430 1.00 0.01 C ATOM 2405 C ASP A 152 9.280 0.299 -15.074 1.00 0.00 C ATOM 2406 O ASP A 152 10.055 -0.384 -14.434 1.00 0.01 O ATOM 2407 CB ASP A 152 7.100 1.426 -15.527 1.00 1.04 C ATOM 2408 CG ASP A 152 5.753 1.819 -14.919 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.749 2.665 -14.039 1.00 2.27 O ATOM 2410 OD2 ASP A 152 4.750 1.271 -15.345 1.00 1.57 O ATOM 0 H ASP A 152 8.613 2.867 -13.940 1.00 0.01 H new ATOM 0 HA ASP A 152 7.501 0.086 -13.877 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.564 2.292 -16.000 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.955 0.677 -16.305 1.00 1.04 H new ATOM 2415 N LYS A 153 9.496 0.556 -16.338 1.00 0.01 N ATOM 2416 CA LYS A 153 10.708 0.007 -17.018 1.00 0.01 C ATOM 2417 C LYS A 153 11.098 0.916 -18.185 1.00 0.01 C ATOM 2418 O LYS A 153 11.265 0.470 -19.303 1.00 0.01 O ATOM 2419 CB LYS A 153 10.389 -1.396 -17.547 1.00 0.38 C ATOM 2420 CG LYS A 153 11.684 -2.118 -17.940 1.00 0.71 C ATOM 2421 CD LYS A 153 11.380 -3.593 -18.226 1.00 0.72 C ATOM 2422 CE LYS A 153 10.305 -3.705 -19.310 1.00 1.09 C ATOM 2423 NZ LYS A 153 10.526 -2.660 -20.350 1.00 1.84 N ATOM 0 H LYS A 153 8.886 1.122 -16.929 1.00 0.01 H new ATOM 0 HA LYS A 153 11.536 -0.043 -16.311 1.00 0.01 H new ATOM 0 HB2 LYS A 153 9.861 -1.969 -16.785 1.00 0.38 H new ATOM 0 HB3 LYS A 153 9.726 -1.326 -18.410 1.00 0.38 H new ATOM 0 HG2 LYS A 153 12.122 -1.648 -18.821 1.00 0.71 H new ATOM 0 HG3 LYS A 153 12.417 -2.036 -17.137 1.00 0.71 H new ATOM 0 HD2 LYS A 153 12.287 -4.104 -18.548 1.00 0.72 H new ATOM 0 HD3 LYS A 153 11.042 -4.087 -17.315 1.00 0.72 H new ATOM 0 HE2 LYS A 153 10.335 -4.695 -19.764 1.00 1.09 H new ATOM 0 HE3 LYS A 153 9.316 -3.587 -18.868 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 10.123 -2.979 -21.254 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 10.063 -1.776 -20.057 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 11.546 -2.495 -20.465 1.00 1.84 H new ATOM 2437 N LYS A 154 11.245 2.193 -17.931 1.00 0.00 N ATOM 2438 CA LYS A 154 11.629 3.159 -19.013 1.00 0.01 C ATOM 2439 C LYS A 154 13.008 3.745 -18.695 1.00 0.01 C ATOM 2440 O LYS A 154 13.576 3.481 -17.654 1.00 0.00 O ATOM 2441 CB LYS A 154 10.588 4.286 -19.064 1.00 0.39 C ATOM 2442 CG LYS A 154 10.827 5.178 -20.292 1.00 0.48 C ATOM 2443 CD LYS A 154 9.551 5.965 -20.611 1.00 0.97 C ATOM 2444 CE LYS A 154 9.867 7.055 -21.639 1.00 1.44 C ATOM 2445 NZ LYS A 154 8.642 7.858 -21.904 1.00 2.28 N ATOM 0 H LYS A 154 11.114 2.614 -17.011 1.00 0.00 H new ATOM 0 HA LYS A 154 11.665 2.650 -19.976 1.00 0.01 H new ATOM 0 HB2 LYS A 154 9.585 3.862 -19.104 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.645 4.884 -18.155 1.00 0.39 H new ATOM 0 HG2 LYS A 154 11.652 5.865 -20.101 1.00 0.48 H new ATOM 0 HG3 LYS A 154 11.113 4.567 -21.148 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.785 5.294 -21.000 1.00 0.97 H new ATOM 0 HD3 LYS A 154 9.150 6.413 -19.702 1.00 0.97 H new ATOM 0 HE2 LYS A 154 10.664 7.700 -21.268 1.00 1.44 H new ATOM 0 HE3 LYS A 154 10.226 6.604 -22.564 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 8.857 8.598 -22.602 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.894 7.238 -22.275 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 8.318 8.299 -21.020 1.00 2.28 H new ATOM 2459 N GLU A 155 13.548 4.546 -19.579 1.00 0.01 N ATOM 2460 CA GLU A 155 14.890 5.165 -19.331 1.00 0.01 C ATOM 2461 C GLU A 155 14.687 6.622 -18.917 1.00 0.01 C ATOM 2462 O GLU A 155 14.253 7.445 -19.697 1.00 0.01 O ATOM 2463 CB GLU A 155 15.717 5.110 -20.619 1.00 0.01 C ATOM 2464 CG GLU A 155 15.938 3.651 -21.019 1.00 0.01 C ATOM 2465 CD GLU A 155 16.944 3.585 -22.170 1.00 0.01 C ATOM 2466 OE1 GLU A 155 16.999 4.530 -22.936 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.640 2.589 -22.265 1.00 0.01 O ATOM 0 H GLU A 155 13.116 4.800 -20.467 1.00 0.01 H new ATOM 0 HA GLU A 155 15.414 4.624 -18.543 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.202 5.644 -21.418 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.676 5.607 -20.470 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.307 3.081 -20.166 1.00 0.01 H new ATOM 0 HG3 GLU A 155 14.993 3.198 -21.321 1.00 0.01 H new ATOM 2474 N TYR A 156 14.981 6.942 -17.682 1.00 0.00 N ATOM 2475 CA TYR A 156 14.789 8.343 -17.194 1.00 0.01 C ATOM 2476 C TYR A 156 16.119 9.098 -17.196 1.00 0.01 C ATOM 2477 O TYR A 156 17.044 8.742 -16.493 1.00 0.01 O ATOM 2478 CB TYR A 156 14.219 8.298 -15.773 1.00 0.01 C ATOM 2479 CG TYR A 156 12.995 7.411 -15.749 1.00 0.00 C ATOM 2480 CD1 TYR A 156 13.139 6.019 -15.818 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.717 7.978 -15.660 1.00 0.01 C ATOM 2482 CE1 TYR A 156 12.005 5.196 -15.800 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.584 7.154 -15.640 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.729 5.764 -15.711 1.00 0.01 C ATOM 2485 OH TYR A 156 9.614 4.952 -15.696 1.00 0.01 O ATOM 0 H TYR A 156 15.347 6.291 -16.988 1.00 0.00 H new ATOM 0 HA TYR A 156 14.098 8.864 -17.857 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.970 7.918 -15.080 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.959 9.303 -15.442 1.00 0.01 H new ATOM 0 HD1 TYR A 156 14.124 5.580 -15.885 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.605 9.051 -15.607 1.00 0.01 H new ATOM 0 HE1 TYR A 156 12.116 4.123 -15.855 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.599 7.591 -15.570 1.00 0.01 H new ATOM 0 HH TYR A 156 8.808 5.505 -15.629 1.00 0.01 H new ATOM 2495 N ARG A 157 16.241 10.124 -18.000 1.00 0.01 N ATOM 2496 CA ARG A 157 17.531 10.874 -18.068 1.00 0.01 C ATOM 2497 C ARG A 157 17.518 12.058 -17.099 1.00 0.00 C ATOM 2498 O ARG A 157 18.555 12.504 -16.647 1.00 0.01 O ATOM 2499 CB ARG A 157 17.732 11.395 -19.492 1.00 0.01 C ATOM 2500 CG ARG A 157 19.174 11.873 -19.661 1.00 0.01 C ATOM 2501 CD ARG A 157 19.328 12.563 -21.017 1.00 0.00 C ATOM 2502 NE ARG A 157 20.723 13.071 -21.158 1.00 0.01 N ATOM 2503 CZ ARG A 157 21.170 13.427 -22.331 1.00 0.01 C ATOM 2504 NH1 ARG A 157 20.398 13.331 -23.378 1.00 0.01 N ATOM 2505 NH2 ARG A 157 22.390 13.876 -22.455 1.00 0.01 N ATOM 0 H ARG A 157 15.504 10.474 -18.612 1.00 0.01 H new ATOM 0 HA ARG A 157 18.344 10.202 -17.791 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.512 10.608 -20.213 1.00 0.01 H new ATOM 0 HB3 ARG A 157 17.040 12.213 -19.692 1.00 0.01 H new ATOM 0 HG2 ARG A 157 19.436 12.563 -18.859 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.859 11.028 -19.591 1.00 0.01 H new ATOM 0 HD2 ARG A 157 19.101 11.863 -21.821 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.619 13.387 -21.101 1.00 0.00 H new ATOM 0 HE ARG A 157 21.327 13.140 -20.339 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.446 12.978 -23.279 1.00 0.01 H new ATOM 0 HH12 ARG A 157 20.746 13.609 -24.296 1.00 0.01 H new ATOM 0 HH21 ARG A 157 22.993 13.948 -21.635 1.00 0.01 H new ATOM 0 HH22 ARG A 157 22.740 14.154 -23.372 1.00 0.01 H new ATOM 2519 N LYS A 158 16.358 12.563 -16.757 1.00 0.01 N ATOM 2520 CA LYS A 158 16.270 13.708 -15.793 1.00 0.01 C ATOM 2521 C LYS A 158 15.284 13.321 -14.679 1.00 0.01 C ATOM 2522 O LYS A 158 14.394 12.529 -14.908 1.00 0.01 O ATOM 2523 CB LYS A 158 15.747 14.944 -16.541 1.00 0.58 C ATOM 2524 CG LYS A 158 16.902 15.626 -17.282 1.00 0.97 C ATOM 2525 CD LYS A 158 16.343 16.587 -18.334 1.00 1.44 C ATOM 2526 CE LYS A 158 15.465 17.641 -17.654 1.00 2.13 C ATOM 2527 NZ LYS A 158 15.248 18.784 -18.585 1.00 2.54 N ATOM 0 H LYS A 158 15.460 12.229 -17.107 1.00 0.01 H new ATOM 0 HA LYS A 158 17.247 13.931 -15.364 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.971 14.652 -17.248 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.291 15.641 -15.838 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.530 16.170 -16.576 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.534 14.877 -17.759 1.00 0.97 H new ATOM 0 HD2 LYS A 158 17.160 17.071 -18.870 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.760 16.035 -19.072 1.00 1.44 H new ATOM 0 HE2 LYS A 158 14.508 17.204 -17.369 1.00 2.13 H new ATOM 0 HE3 LYS A 158 15.941 17.990 -16.738 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 14.652 19.500 -18.123 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 16.165 19.207 -18.836 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 14.776 18.445 -19.447 1.00 2.54 H new ATOM 2541 N PRO A 159 15.400 13.876 -13.492 1.00 0.01 N ATOM 2542 CA PRO A 159 14.434 13.537 -12.407 1.00 0.02 C ATOM 2543 C PRO A 159 12.999 13.877 -12.838 1.00 0.01 C ATOM 2544 O PRO A 159 12.074 13.140 -12.562 1.00 0.01 O ATOM 2545 CB PRO A 159 14.916 14.418 -11.235 1.00 0.41 C ATOM 2546 CG PRO A 159 16.027 15.352 -11.756 1.00 0.70 C ATOM 2547 CD PRO A 159 16.469 14.854 -13.144 1.00 0.28 C ATOM 0 HA PRO A 159 14.407 12.478 -12.149 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.088 15.001 -10.833 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.293 13.796 -10.423 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.662 16.377 -11.819 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.872 15.357 -11.068 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.526 15.667 -13.868 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.453 14.386 -13.113 1.00 0.28 H new ATOM 2555 N VAL A 160 12.800 14.980 -13.500 1.00 0.01 N ATOM 2556 CA VAL A 160 11.420 15.346 -13.928 1.00 0.02 C ATOM 2557 C VAL A 160 10.881 14.282 -14.888 1.00 0.02 C ATOM 2558 O VAL A 160 9.685 14.129 -15.040 1.00 0.02 O ATOM 2559 CB VAL A 160 11.452 16.703 -14.630 1.00 0.14 C ATOM 2560 CG1 VAL A 160 10.028 17.109 -15.019 1.00 0.86 C ATOM 2561 CG2 VAL A 160 12.042 17.751 -13.683 1.00 0.74 C ATOM 0 H VAL A 160 13.529 15.643 -13.763 1.00 0.01 H new ATOM 0 HA VAL A 160 10.770 15.403 -13.055 1.00 0.02 H new ATOM 0 HB VAL A 160 12.068 16.636 -15.527 1.00 0.14 H new ATOM 0 HG11 VAL A 160 10.050 18.077 -15.520 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.608 16.362 -15.692 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.412 17.178 -14.123 1.00 0.86 H new ATOM 0 HG21 VAL A 160 12.066 18.720 -14.182 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.426 17.819 -12.787 1.00 0.74 H new ATOM 0 HG23 VAL A 160 13.055 17.461 -13.405 1.00 0.74 H new ATOM 2571 N ASP A 161 11.734 13.540 -15.541 1.00 0.00 N ATOM 2572 CA ASP A 161 11.224 12.503 -16.482 1.00 0.01 C ATOM 2573 C ASP A 161 10.490 11.407 -15.700 1.00 0.01 C ATOM 2574 O ASP A 161 9.744 10.625 -16.256 1.00 0.01 O ATOM 2575 CB ASP A 161 12.389 11.873 -17.249 1.00 0.00 C ATOM 2576 CG ASP A 161 11.844 11.057 -18.421 1.00 0.02 C ATOM 2577 OD1 ASP A 161 10.634 10.989 -18.558 1.00 0.00 O ATOM 2578 OD2 ASP A 161 12.646 10.516 -19.166 1.00 0.00 O ATOM 0 H ASP A 161 12.749 13.605 -15.465 1.00 0.00 H new ATOM 0 HA ASP A 161 10.538 12.976 -17.185 1.00 0.01 H new ATOM 0 HB2 ASP A 161 13.061 12.650 -17.614 1.00 0.00 H new ATOM 0 HB3 ASP A 161 12.972 11.233 -16.586 1.00 0.00 H new ATOM 2583 N TRP A 162 10.696 11.353 -14.407 1.00 0.01 N ATOM 2584 CA TRP A 162 10.019 10.319 -13.566 1.00 0.01 C ATOM 2585 C TRP A 162 8.807 10.962 -12.879 1.00 0.01 C ATOM 2586 O TRP A 162 8.163 10.370 -12.038 1.00 0.01 O ATOM 2587 CB TRP A 162 11.018 9.811 -12.524 1.00 0.01 C ATOM 2588 CG TRP A 162 10.427 8.787 -11.608 1.00 0.02 C ATOM 2589 CD1 TRP A 162 9.294 8.067 -11.812 1.00 0.01 C ATOM 2590 CD2 TRP A 162 10.965 8.343 -10.334 1.00 0.01 C ATOM 2591 NE1 TRP A 162 9.100 7.230 -10.727 1.00 0.01 N ATOM 2592 CE2 TRP A 162 10.108 7.361 -9.792 1.00 0.01 C ATOM 2593 CE3 TRP A 162 12.108 8.710 -9.604 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 10.378 6.762 -8.563 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 12.384 8.108 -8.372 1.00 0.01 C ATOM 2596 CH2 TRP A 162 11.522 7.138 -7.851 1.00 0.01 C ATOM 0 H TRP A 162 11.309 11.987 -13.895 1.00 0.01 H new ATOM 0 HA TRP A 162 9.679 9.481 -14.175 1.00 0.01 H new ATOM 0 HB2 TRP A 162 11.881 9.382 -13.033 1.00 0.01 H new ATOM 0 HB3 TRP A 162 11.382 10.653 -11.935 1.00 0.01 H new ATOM 0 HD1 TRP A 162 8.651 8.136 -12.677 1.00 0.01 H new ATOM 0 HE1 TRP A 162 8.309 6.594 -10.630 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.777 9.461 -9.996 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 9.710 6.014 -8.164 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 13.267 8.394 -7.820 1.00 0.01 H new ATOM 0 HH2 TRP A 162 11.740 6.679 -6.898 1.00 0.01 H new ATOM 2607 N GLY A 163 8.465 12.157 -13.264 1.00 0.02 N ATOM 2608 CA GLY A 163 7.266 12.817 -12.671 1.00 0.01 C ATOM 2609 C GLY A 163 7.569 13.390 -11.284 1.00 0.01 C ATOM 2610 O GLY A 163 6.682 13.804 -10.565 1.00 0.01 O ATOM 0 H GLY A 163 8.962 12.708 -13.964 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.926 13.616 -13.330 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.452 12.096 -12.598 1.00 0.01 H new ATOM 2614 N ALA A 164 8.816 13.386 -10.889 1.00 0.01 N ATOM 2615 CA ALA A 164 9.182 13.897 -9.530 1.00 0.02 C ATOM 2616 C ALA A 164 9.681 15.335 -9.631 1.00 0.01 C ATOM 2617 O ALA A 164 10.375 15.705 -10.555 1.00 0.02 O ATOM 2618 CB ALA A 164 10.318 13.036 -8.976 1.00 0.01 C ATOM 0 H ALA A 164 9.600 13.050 -11.449 1.00 0.01 H new ATOM 0 HA ALA A 164 8.307 13.856 -8.882 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.597 13.395 -7.985 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.988 11.999 -8.906 1.00 0.01 H new ATOM 0 HB3 ALA A 164 11.180 13.099 -9.641 1.00 0.01 H new ATOM 2624 N ALA A 165 9.323 16.146 -8.671 1.00 0.02 N ATOM 2625 CA ALA A 165 9.757 17.569 -8.676 1.00 0.01 C ATOM 2626 C ALA A 165 11.121 17.714 -7.998 1.00 0.02 C ATOM 2627 O ALA A 165 11.757 18.742 -8.104 1.00 0.01 O ATOM 2628 CB ALA A 165 8.737 18.423 -7.920 1.00 0.59 C ATOM 0 H ALA A 165 8.742 15.878 -7.876 1.00 0.02 H new ATOM 0 HA ALA A 165 9.831 17.903 -9.711 1.00 0.01 H new ATOM 0 HB1 ALA A 165 9.059 19.464 -7.926 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.764 18.341 -8.404 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.661 18.073 -6.891 1.00 0.59 H new ATOM 2634 N SER A 166 11.595 16.700 -7.312 1.00 0.01 N ATOM 2635 CA SER A 166 12.932 16.793 -6.646 1.00 0.01 C ATOM 2636 C SER A 166 13.590 15.396 -6.656 1.00 0.02 C ATOM 2637 O SER A 166 12.896 14.399 -6.614 1.00 0.01 O ATOM 2638 CB SER A 166 12.744 17.254 -5.201 1.00 0.72 C ATOM 2639 OG SER A 166 12.094 18.519 -5.193 1.00 0.87 O ATOM 0 H SER A 166 11.112 15.811 -7.185 1.00 0.01 H new ATOM 0 HA SER A 166 13.564 17.506 -7.175 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.152 16.524 -4.648 1.00 0.72 H new ATOM 0 HB3 SER A 166 13.710 17.325 -4.701 1.00 0.72 H new ATOM 0 HG SER A 166 11.970 18.817 -4.268 1.00 0.87 H new ATOM 2645 N PRO A 167 14.907 15.295 -6.697 1.00 0.02 N ATOM 2646 CA PRO A 167 15.574 13.954 -6.692 1.00 0.01 C ATOM 2647 C PRO A 167 15.627 13.313 -5.290 1.00 0.01 C ATOM 2648 O PRO A 167 16.480 12.486 -5.016 1.00 0.01 O ATOM 2649 CB PRO A 167 16.987 14.319 -7.165 1.00 0.38 C ATOM 2650 CG PRO A 167 17.210 15.795 -6.811 1.00 0.35 C ATOM 2651 CD PRO A 167 15.831 16.471 -6.763 1.00 0.22 C ATOM 0 HA PRO A 167 15.051 13.219 -7.304 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.732 13.689 -6.679 1.00 0.38 H new ATOM 0 HB3 PRO A 167 17.088 14.160 -8.239 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.716 15.887 -5.850 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.847 16.276 -7.554 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.726 17.121 -5.894 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.647 17.085 -7.645 1.00 0.22 H new ATOM 2659 N ALA A 168 14.764 13.704 -4.388 1.00 0.01 N ATOM 2660 CA ALA A 168 14.835 13.124 -3.009 1.00 0.01 C ATOM 2661 C ALA A 168 14.106 11.775 -2.919 1.00 0.01 C ATOM 2662 O ALA A 168 12.927 11.664 -3.183 1.00 0.02 O ATOM 2663 CB ALA A 168 14.182 14.091 -2.023 1.00 0.18 C ATOM 0 H ALA A 168 14.023 14.389 -4.540 1.00 0.01 H new ATOM 0 HA ALA A 168 15.887 12.967 -2.769 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.231 13.673 -1.017 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.709 15.045 -2.046 1.00 0.18 H new ATOM 0 HB3 ALA A 168 13.140 14.246 -2.301 1.00 0.18 H new ATOM 2669 N ILE A 169 14.830 10.767 -2.500 1.00 0.01 N ATOM 2670 CA ILE A 169 14.254 9.394 -2.324 1.00 0.01 C ATOM 2671 C ILE A 169 15.003 8.740 -1.152 1.00 0.01 C ATOM 2672 O ILE A 169 16.217 8.757 -1.112 1.00 0.01 O ATOM 2673 CB ILE A 169 14.457 8.554 -3.608 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.261 9.405 -4.882 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.459 7.397 -3.638 1.00 2.24 C ATOM 2676 CD1 ILE A 169 12.782 9.797 -5.067 1.00 3.99 C ATOM 0 H ILE A 169 15.820 10.839 -2.267 1.00 0.01 H new ATOM 0 HA ILE A 169 13.183 9.450 -2.127 1.00 0.01 H new ATOM 0 HB ILE A 169 15.479 8.176 -3.591 1.00 1.81 H new ATOM 0 HG12 ILE A 169 14.873 10.304 -4.820 1.00 2.75 H new ATOM 0 HG13 ILE A 169 14.604 8.846 -5.753 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.609 6.811 -4.545 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.612 6.762 -2.766 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.443 7.792 -3.625 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.675 10.395 -5.972 1.00 3.99 H new ATOM 0 HD12 ILE A 169 12.175 8.896 -5.154 1.00 3.99 H new ATOM 0 HD13 ILE A 169 12.449 10.377 -4.206 1.00 3.99 H new ATOM 2688 N GLN A 170 14.299 8.199 -0.175 1.00 0.01 N ATOM 2689 CA GLN A 170 14.980 7.591 1.021 1.00 0.01 C ATOM 2690 C GLN A 170 14.814 6.063 1.111 1.00 0.02 C ATOM 2691 O GLN A 170 15.565 5.429 1.821 1.00 0.01 O ATOM 2692 CB GLN A 170 14.410 8.220 2.293 1.00 2.62 C ATOM 2693 CG GLN A 170 14.820 9.693 2.362 1.00 3.39 C ATOM 2694 CD GLN A 170 16.308 9.794 2.706 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.770 9.180 3.645 1.00 4.83 O ATOM 2696 NE2 GLN A 170 17.084 10.551 1.976 1.00 5.17 N ATOM 0 H GLN A 170 13.280 8.153 -0.156 1.00 0.01 H new ATOM 0 HA GLN A 170 16.046 7.793 0.912 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.323 8.133 2.299 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.777 7.688 3.171 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.623 10.181 1.408 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.226 10.212 3.114 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.696 11.067 1.186 1.00 5.17 H new ATOM 0 HE22 GLN A 170 18.077 10.625 2.196 1.00 5.17 H new ATOM 2705 N SER A 171 13.880 5.428 0.441 1.00 0.01 N ATOM 2706 CA SER A 171 13.791 3.934 0.596 1.00 0.01 C ATOM 2707 C SER A 171 13.081 3.316 -0.614 1.00 0.01 C ATOM 2708 O SER A 171 12.366 3.979 -1.336 1.00 0.01 O ATOM 2709 CB SER A 171 13.013 3.601 1.869 1.00 0.01 C ATOM 2710 OG SER A 171 13.099 2.205 2.123 1.00 0.02 O ATOM 0 H SER A 171 13.198 5.857 -0.185 1.00 0.01 H new ATOM 0 HA SER A 171 14.799 3.523 0.662 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.417 4.161 2.712 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.970 3.898 1.759 1.00 0.01 H new ATOM 0 HG SER A 171 13.810 1.815 1.572 1.00 0.02 H new ATOM 2716 N PHE A 172 13.262 2.029 -0.832 1.00 0.01 N ATOM 2717 CA PHE A 172 12.580 1.365 -1.987 1.00 0.01 C ATOM 2718 C PHE A 172 12.330 -0.119 -1.696 1.00 0.01 C ATOM 2719 O PHE A 172 13.029 -0.745 -0.916 1.00 0.01 O ATOM 2720 CB PHE A 172 13.431 1.513 -3.252 1.00 1.06 C ATOM 2721 CG PHE A 172 14.679 0.662 -3.167 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.609 -0.721 -3.391 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.913 1.262 -2.886 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.771 -1.497 -3.326 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.072 0.483 -2.826 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.000 -0.896 -3.045 1.00 1.92 C ATOM 0 H PHE A 172 13.848 1.418 -0.263 1.00 0.01 H new ATOM 0 HA PHE A 172 11.617 1.851 -2.141 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.846 1.221 -4.124 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.708 2.558 -3.389 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.660 -1.186 -3.613 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.969 2.327 -2.716 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.718 -2.563 -3.493 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.023 0.946 -2.610 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.896 -1.497 -2.997 1.00 1.92 H new ATOM 2736 N ARG A 173 11.313 -0.682 -2.309 1.00 0.01 N ATOM 2737 CA ARG A 173 10.978 -2.121 -2.068 1.00 0.01 C ATOM 2738 C ARG A 173 10.444 -2.762 -3.357 1.00 0.01 C ATOM 2739 O ARG A 173 9.816 -2.121 -4.181 1.00 0.01 O ATOM 2740 CB ARG A 173 9.881 -2.209 -0.997 1.00 0.01 C ATOM 2741 CG ARG A 173 10.479 -2.008 0.398 1.00 0.01 C ATOM 2742 CD ARG A 173 9.387 -2.227 1.450 1.00 0.01 C ATOM 2743 NE ARG A 173 8.783 -3.574 1.267 1.00 0.01 N ATOM 2744 CZ ARG A 173 8.039 -4.086 2.209 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.824 -3.416 3.309 1.00 0.01 N ATOM 2746 NH2 ARG A 173 7.513 -5.268 2.048 1.00 0.01 N ATOM 0 H ARG A 173 10.699 -0.203 -2.968 1.00 0.01 H new ATOM 0 HA ARG A 173 11.878 -2.643 -1.743 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.119 -1.453 -1.185 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.388 -3.179 -1.052 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.301 -2.706 0.559 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.892 -1.003 0.489 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.809 -2.139 2.451 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.620 -1.458 1.359 1.00 0.01 H new ATOM 0 HE ARG A 173 8.950 -4.096 0.407 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.238 -2.492 3.432 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.242 -3.817 4.045 1.00 0.01 H new ATOM 0 HH21 ARG A 173 7.684 -5.789 1.188 1.00 0.01 H new ATOM 0 HH22 ARG A 173 6.931 -5.671 2.782 1.00 0.01 H new ATOM 2760 N ARG A 174 10.678 -4.039 -3.512 1.00 0.01 N ATOM 2761 CA ARG A 174 10.186 -4.770 -4.715 1.00 0.01 C ATOM 2762 C ARG A 174 8.774 -5.303 -4.445 1.00 0.01 C ATOM 2763 O ARG A 174 8.453 -5.703 -3.343 1.00 0.01 O ATOM 2764 CB ARG A 174 11.113 -5.952 -5.009 1.00 0.01 C ATOM 2765 CG ARG A 174 10.705 -6.603 -6.332 1.00 0.01 C ATOM 2766 CD ARG A 174 11.605 -7.809 -6.606 1.00 0.01 C ATOM 2767 NE ARG A 174 11.248 -8.918 -5.679 1.00 0.01 N ATOM 2768 CZ ARG A 174 11.665 -10.127 -5.923 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.384 -10.368 -6.984 1.00 0.01 N ATOM 2770 NH2 ARG A 174 11.364 -11.098 -5.107 1.00 0.01 N ATOM 0 H ARG A 174 11.196 -4.613 -2.847 1.00 0.01 H new ATOM 0 HA ARG A 174 10.170 -4.091 -5.568 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.147 -5.612 -5.062 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.058 -6.681 -4.200 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.662 -6.917 -6.289 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.788 -5.882 -7.145 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.490 -8.134 -7.640 1.00 0.01 H new ATOM 0 HD3 ARG A 174 12.651 -7.533 -6.473 1.00 0.01 H new ATOM 0 HE ARG A 174 10.678 -8.731 -4.854 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.620 -9.609 -7.623 1.00 0.01 H new ATOM 0 HH12 ARG A 174 12.710 -11.315 -7.174 1.00 0.01 H new ATOM 0 HH21 ARG A 174 10.802 -10.911 -4.277 1.00 0.01 H new ATOM 0 HH22 ARG A 174 11.691 -12.045 -5.299 1.00 0.01 H new ATOM 2784 N ILE A 175 7.936 -5.335 -5.452 1.00 0.01 N ATOM 2785 CA ILE A 175 6.552 -5.873 -5.256 1.00 0.01 C ATOM 2786 C ILE A 175 6.524 -7.350 -5.663 1.00 0.00 C ATOM 2787 O ILE A 175 6.957 -7.706 -6.741 1.00 0.01 O ATOM 2788 CB ILE A 175 5.542 -5.104 -6.121 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.835 -3.601 -6.076 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.127 -5.356 -5.590 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.729 -2.836 -6.818 1.00 3.04 C ATOM 0 H ILE A 175 8.148 -5.014 -6.397 1.00 0.01 H new ATOM 0 HA ILE A 175 6.280 -5.759 -4.207 1.00 0.01 H new ATOM 0 HB ILE A 175 5.624 -5.451 -7.151 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.893 -3.263 -5.041 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.803 -3.395 -6.534 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.407 -4.812 -6.201 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.907 -6.423 -5.633 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.059 -5.013 -4.558 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.940 -1.767 -6.784 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.692 -3.166 -7.856 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.769 -3.031 -6.341 1.00 3.04 H new ATOM 2803 N VAL A 176 6.020 -8.215 -4.816 1.00 0.01 N ATOM 2804 CA VAL A 176 5.964 -9.672 -5.161 1.00 0.00 C ATOM 2805 C VAL A 176 4.599 -10.238 -4.764 1.00 0.01 C ATOM 2806 O VAL A 176 4.008 -9.830 -3.783 1.00 0.00 O ATOM 2807 CB VAL A 176 7.053 -10.424 -4.392 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.138 -11.862 -4.906 1.00 1.88 C ATOM 2809 CG2 VAL A 176 8.401 -9.728 -4.602 1.00 1.89 C ATOM 0 H VAL A 176 5.644 -7.975 -3.899 1.00 0.01 H new ATOM 0 HA VAL A 176 6.119 -9.792 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 176 6.809 -10.430 -3.330 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.913 -12.399 -4.359 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.179 -12.359 -4.757 1.00 1.88 H new ATOM 0 HG13 VAL A 176 7.382 -11.855 -5.968 1.00 1.88 H new ATOM 0 HG21 VAL A 176 9.176 -10.264 -4.054 1.00 1.89 H new ATOM 0 HG22 VAL A 176 8.646 -9.722 -5.664 1.00 1.89 H new ATOM 0 HG23 VAL A 176 8.342 -8.703 -4.237 1.00 1.89 H new ATOM 2819 N GLU A 177 4.093 -11.176 -5.519 1.00 0.01 N ATOM 2820 CA GLU A 177 2.768 -11.771 -5.191 1.00 0.01 C ATOM 2821 C GLU A 177 2.870 -12.542 -3.874 1.00 0.01 C ATOM 2822 CB GLU A 177 2.345 -12.724 -6.311 1.00 2.15 C ATOM 2823 CG GLU A 177 0.929 -13.239 -6.041 1.00 3.19 C ATOM 2824 CD GLU A 177 0.429 -14.025 -7.255 1.00 4.20 C ATOM 2825 OE1 GLU A 177 1.092 -14.976 -7.633 1.00 4.77 O ATOM 2826 OE2 GLU A 177 -0.612 -13.665 -7.783 1.00 4.89 O ATOM 0 H GLU A 177 4.543 -11.556 -6.352 1.00 0.01 H new ATOM 0 HA GLU A 177 2.027 -10.978 -5.092 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.379 -12.210 -7.272 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.041 -13.560 -6.373 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.925 -13.875 -5.156 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.260 -12.403 -5.835 1.00 3.19 H new