USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= 0.618 K(o=0.8,f=-4.7!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.354 K(o=0.8,f=-5!) USER MOD Set 1.3: A 130 HIS :FLIP no HD1:sc= -0.123 F(o=-0.38,f=0.8) USER MOD Set 1.4: A 138 MET CE :methyl -139:sc= -0.0486 (180deg=-0.735) USER MOD Set 2.1: A 135 ASN : amide:sc= -0.0167 X(o=0.72,f=0.37) USER MOD Set 2.2: A 144 ASN : amide:sc= 0.739 K(o=0.72,f=-0.39) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.141 X(o=-1.3,f=-1.8) USER MOD Set 3.2: A 84 HIS : no HE2:sc= -0.913 X(o=-1.3,f=-1) USER MOD Set 3.3: A 97 HIS : no HD1:sc= -0.288 X(o=-1.3,f=-1.1) USER MOD Set 4.1: A 80 ASN : amide:sc= 0.368 K(o=0.37,f=-3.7!) USER MOD Set 4.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.0119 (180deg=-0.383) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -118:sc= 0.623 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00628) USER MOD Single : A 16 THR OG1 : rot -130:sc= -0.752 USER MOD Single : A 17 TYR OH : rot -162:sc= 1.16 USER MOD Single : A 21 SER OG : rot -168:sc= 1.37 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.517 F(o=-1.6,f=-0.52) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 MET CE :methyl 179:sc= 0 (180deg=-0.000644) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.756 K(o=0.76,f=-2.3!) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.654 (180deg=0.651) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -153:sc=-0.00344 (180deg=-0.853) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.28 K(o=-3.3,f=-10!) USER MOD Single : A 116 TYR OH : rot 50:sc= -0.133 USER MOD Single : A 119 THR OG1 : rot 81:sc= 0.0497 USER MOD Single : A 125 SER OG : rot 123:sc= 0.433 USER MOD Single : A 128 MET CE :methyl -164:sc= -2.64 (180deg=-4.45!) USER MOD Single : A 131 SER OG : rot -140:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 148 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 149 ASN :FLIP amide:sc= -0.131 F(o=-1.3,f=-0.13) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -170:sc= 0.0395 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.9!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 30:sc= -0.0225 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.557 1.985 8.205 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.041 1.205 7.082 1.00 0.36 C ATOM 111 C PRO A 8 -13.179 0.744 6.165 1.00 0.57 C ATOM 112 O PRO A 8 -14.330 0.710 6.601 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.301 0.033 7.720 1.00 0.00 C ATOM 114 CG PRO A 8 -12.028 -0.208 9.037 1.00 0.00 C ATOM 115 CD PRO A 8 -12.588 1.167 9.413 1.00 0.30 C ATOM 0 HA PRO A 8 -11.377 1.787 6.443 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.332 -0.850 7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.250 0.270 7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.823 -0.945 8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.350 -0.585 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.606 1.078 9.793 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.992 1.623 10.203 1.00 0.30 H new ATOM 123 N LYS A 9 -12.841 0.322 4.930 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.798 0.011 3.863 1.00 0.36 C ATOM 125 C LYS A 9 -14.591 1.263 3.476 1.00 0.57 C ATOM 126 O LYS A 9 -15.597 1.599 4.097 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.696 -1.194 4.231 1.00 0.00 C ATOM 128 CG LYS A 9 -14.141 -2.513 3.690 1.00 0.00 C ATOM 129 CD LYS A 9 -14.428 -3.738 4.573 1.00 0.00 C ATOM 130 CE LYS A 9 -15.907 -4.034 4.839 1.00 0.50 C ATOM 131 NZ LYS A 9 -16.390 -3.372 6.070 1.00 -0.85 N ATOM 0 H LYS A 9 -11.871 0.187 4.646 1.00 -0.73 H new ATOM 0 HA LYS A 9 -13.244 -0.300 2.977 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.789 -1.258 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.698 -1.033 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.560 -2.689 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.062 -2.415 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.980 -4.614 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.927 -3.598 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.502 -3.699 3.990 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.052 -5.111 4.925 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.114 -3.966 6.523 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -15.594 -3.236 6.726 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -16.802 -2.448 5.829 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.116 1.944 2.426 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.796 3.066 1.792 1.00 0.36 C ATOM 147 C TRP A 10 -16.283 2.741 1.561 1.00 0.57 C ATOM 148 O TRP A 10 -16.629 1.614 1.210 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.084 3.392 0.466 1.00 0.18 C ATOM 150 CG TRP A 10 -12.586 3.526 0.526 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.695 2.515 0.383 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.773 4.735 0.695 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.410 3.003 0.484 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.399 4.374 0.578 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.054 6.103 0.909 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.363 5.318 0.598 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.021 7.059 0.969 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.682 6.671 0.794 1.00 -0.15 C ATOM 0 H TRP A 10 -13.223 1.719 1.987 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.754 3.938 2.445 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.329 2.611 -0.254 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.495 4.324 0.078 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.954 1.480 0.215 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.573 2.420 0.488 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.079 6.421 1.029 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.337 5.010 0.465 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.260 8.096 1.151 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.898 7.414 0.810 1.00 -0.15 H new ATOM 169 N THR A 11 -17.162 3.735 1.731 1.00 -0.73 N ATOM 170 CA THR A 11 -18.612 3.588 1.558 1.00 0.36 C ATOM 171 C THR A 11 -18.996 3.194 0.119 1.00 0.57 C ATOM 172 O THR A 11 -20.081 2.656 -0.104 1.00 -0.57 O ATOM 173 CB THR A 11 -19.274 4.908 2.011 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.939 5.116 3.369 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.802 4.948 1.856 1.00 0.00 C ATOM 0 H THR A 11 -16.882 4.679 1.997 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.977 2.766 2.173 1.00 0.36 H new ATOM 0 HB THR A 11 -18.894 5.694 1.358 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.346 5.951 3.682 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -21.177 5.912 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.065 4.808 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.249 4.152 2.451 1.00 0.00 H new ATOM 183 N SER A 12 -18.113 3.451 -0.851 1.00 -0.73 N ATOM 184 CA SER A 12 -18.259 3.042 -2.237 1.00 0.36 C ATOM 185 C SER A 12 -17.521 1.717 -2.461 1.00 0.57 C ATOM 186 O SER A 12 -16.423 1.510 -1.945 1.00 -0.57 O ATOM 187 CB SER A 12 -17.671 4.152 -3.111 1.00 0.28 C ATOM 188 OG SER A 12 -17.713 3.802 -4.475 1.00 -0.68 O ATOM 0 H SER A 12 -17.250 3.967 -0.679 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.307 2.887 -2.494 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.227 5.076 -2.953 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.640 4.345 -2.814 1.00 0.28 H new ATOM 0 HG SER A 12 -16.800 3.753 -4.829 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.092 0.850 -3.310 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.466 -0.411 -3.724 1.00 0.36 C ATOM 196 C LYS A 13 -16.363 -0.204 -4.777 1.00 0.57 C ATOM 197 O LYS A 13 -15.753 -1.174 -5.238 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.544 -1.377 -4.247 1.00 0.00 C ATOM 199 CG LYS A 13 -18.258 -2.814 -3.786 1.00 0.00 C ATOM 200 CD LYS A 13 -19.196 -3.811 -4.476 1.00 0.00 C ATOM 201 CE LYS A 13 -18.698 -5.250 -4.284 1.00 0.50 C ATOM 202 NZ LYS A 13 -19.445 -5.998 -3.249 1.00 -0.85 N ATOM 0 H LYS A 13 -19.008 1.007 -3.731 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.982 -0.843 -2.848 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -19.524 -1.064 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.576 -1.339 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.222 -3.071 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.380 -2.884 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.202 -3.712 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.259 -3.582 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.774 -5.782 -5.232 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -17.642 -5.228 -4.015 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -19.081 -6.971 -3.193 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -19.325 -5.530 -2.328 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -20.455 -6.019 -3.497 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.119 1.052 -5.166 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.049 1.449 -6.055 1.00 0.36 C ATOM 218 C VAL A 14 -14.274 2.560 -5.356 1.00 0.57 C ATOM 219 O VAL A 14 -14.869 3.409 -4.687 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.601 1.856 -7.437 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.519 3.090 -7.420 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.463 2.100 -8.434 1.00 0.00 C ATOM 0 H VAL A 14 -16.687 1.839 -4.853 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.370 0.621 -6.259 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.212 1.009 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.860 3.304 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.380 2.894 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.968 3.948 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.880 2.385 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.821 2.900 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.877 1.188 -8.547 1.00 0.00 H new ATOM 232 N VAL A 15 -12.959 2.566 -5.555 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.052 3.563 -5.014 1.00 0.36 C ATOM 234 C VAL A 15 -11.300 4.160 -6.211 1.00 0.57 C ATOM 235 O VAL A 15 -11.023 3.437 -7.173 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.160 2.860 -3.962 1.00 0.00 C ATOM 237 CG1 VAL A 15 -9.956 2.154 -4.594 1.00 0.00 C ATOM 238 CG2 VAL A 15 -10.707 3.808 -2.855 1.00 0.00 C ATOM 0 H VAL A 15 -12.486 1.856 -6.113 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.537 4.389 -4.494 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.790 2.096 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.363 1.677 -3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.305 1.398 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.342 2.884 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.084 3.265 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.133 4.626 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.580 4.210 -2.341 1.00 0.00 H new ATOM 248 N THR A 16 -10.955 5.449 -6.192 1.00 -0.73 N ATOM 249 CA THR A 16 -10.165 6.049 -7.266 1.00 0.36 C ATOM 250 C THR A 16 -8.756 6.364 -6.769 1.00 0.57 C ATOM 251 O THR A 16 -8.579 6.861 -5.654 1.00 -0.57 O ATOM 252 CB THR A 16 -10.901 7.224 -7.937 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.071 7.759 -8.944 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.359 8.376 -7.039 1.00 0.00 C ATOM 0 H THR A 16 -11.210 6.096 -5.446 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.042 5.327 -8.073 1.00 0.36 H new ATOM 0 HB THR A 16 -11.825 6.780 -8.308 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.014 8.732 -8.838 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -11.861 9.131 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.049 7.997 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.493 8.821 -6.548 1.00 0.00 H new ATOM 262 N TYR A 17 -7.751 6.100 -7.616 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.356 6.390 -7.311 1.00 0.36 C ATOM 264 C TYR A 17 -5.746 7.314 -8.359 1.00 0.57 C ATOM 265 O TYR A 17 -6.209 7.395 -9.501 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.525 5.101 -7.134 1.00 0.14 C ATOM 267 CG TYR A 17 -5.001 4.474 -8.418 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -5.800 3.571 -9.142 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -3.715 4.807 -8.898 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.327 3.021 -10.348 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.244 4.274 -10.115 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.052 3.377 -10.853 1.00 0.08 C ATOM 273 OH TYR A 17 -3.645 2.861 -12.050 1.00 -0.53 O ATOM 0 H TYR A 17 -7.891 5.678 -8.534 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.333 6.913 -6.355 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.676 5.323 -6.487 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.137 4.364 -6.615 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -6.778 3.299 -8.772 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.087 5.476 -8.328 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -5.942 2.321 -10.894 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.267 4.550 -10.484 1.00 -0.15 H new ATOM 0 HH TYR A 17 -2.673 2.952 -12.132 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.678 8.000 -7.951 1.00 -0.73 N ATOM 284 CA ARG A 18 -3.869 8.845 -8.805 1.00 0.36 C ATOM 285 C ARG A 18 -2.449 8.899 -8.253 1.00 0.57 C ATOM 286 O ARG A 18 -2.224 8.669 -7.064 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.503 10.247 -8.863 1.00 0.00 C ATOM 288 CG ARG A 18 -4.059 11.055 -10.081 1.00 0.00 C ATOM 289 CD ARG A 18 -4.551 10.427 -11.402 1.00 0.33 C ATOM 290 NE ARG A 18 -3.442 10.161 -12.335 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.779 11.106 -13.015 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.115 12.391 -12.902 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.774 10.775 -13.819 1.00 -0.97 N ATOM 0 H ARG A 18 -4.349 7.977 -6.986 1.00 -0.73 H new ATOM 0 HA ARG A 18 -3.826 8.443 -9.817 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.588 10.148 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.243 10.794 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.440 12.073 -9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.971 11.122 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.075 9.496 -11.187 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.270 11.096 -11.875 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.160 9.191 -12.473 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.885 12.665 -12.292 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.602 13.100 -13.425 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -1.503 9.797 -13.921 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.273 11.499 -14.334 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.509 9.252 -9.125 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.098 9.359 -8.820 1.00 0.36 C ATOM 309 C ILE A 19 0.262 10.811 -9.172 1.00 0.57 C ATOM 310 O ILE A 19 0.406 11.156 -10.346 1.00 -0.57 O ATOM 311 CB ILE A 19 0.725 8.298 -9.592 1.00 0.00 C ATOM 312 CG1 ILE A 19 0.172 6.840 -9.593 1.00 0.00 C ATOM 313 CG2 ILE A 19 2.173 8.380 -9.080 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.679 5.889 -8.504 1.00 0.00 C ATOM 0 H ILE A 19 -1.723 9.478 -10.096 1.00 -0.73 H new ATOM 0 HA ILE A 19 0.135 9.152 -7.775 1.00 0.36 H new ATOM 0 HB ILE A 19 0.654 8.549 -10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.914 6.892 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.400 6.395 -10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.786 7.645 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.568 9.379 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.193 8.174 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.211 4.912 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.761 5.786 -8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.426 6.291 -7.523 1.00 0.00 H new ATOM 326 N VAL A 20 0.279 11.692 -8.165 1.00 -0.73 N ATOM 327 CA VAL A 20 0.485 13.136 -8.356 1.00 0.36 C ATOM 328 C VAL A 20 1.952 13.473 -8.633 1.00 0.57 C ATOM 329 O VAL A 20 2.243 14.377 -9.413 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.005 13.943 -7.132 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.529 14.062 -7.158 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.445 13.366 -5.781 1.00 0.00 C ATOM 0 H VAL A 20 0.150 11.424 -7.189 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.105 13.418 -9.228 1.00 0.36 H new ATOM 0 HB VAL A 20 0.459 14.926 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.864 14.632 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.839 14.572 -8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.972 13.067 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.061 13.989 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.060 12.352 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.534 13.347 -5.738 1.00 0.00 H new ATOM 342 N SER A 21 2.866 12.730 -8.012 1.00 -0.73 N ATOM 343 CA SER A 21 4.304 12.896 -8.100 1.00 0.36 C ATOM 344 C SER A 21 4.827 11.500 -8.406 1.00 0.57 C ATOM 345 O SER A 21 4.303 10.520 -7.880 1.00 -0.57 O ATOM 346 CB SER A 21 4.849 13.495 -6.786 1.00 0.28 C ATOM 347 OG SER A 21 6.219 13.186 -6.572 1.00 -0.68 O ATOM 0 H SER A 21 2.602 11.956 -7.402 1.00 -0.73 H new ATOM 0 HA SER A 21 4.624 13.595 -8.872 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.723 14.578 -6.805 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.261 13.120 -5.949 1.00 0.28 H new ATOM 0 HG SER A 21 6.467 13.418 -5.653 1.00 -0.68 H new ATOM 353 N TYR A 22 5.841 11.434 -9.267 1.00 -0.73 N ATOM 354 CA TYR A 22 6.398 10.199 -9.792 1.00 0.36 C ATOM 355 C TYR A 22 7.919 10.228 -9.621 1.00 0.57 C ATOM 356 O TYR A 22 8.527 11.299 -9.712 1.00 -0.57 O ATOM 357 CB TYR A 22 6.052 10.033 -11.272 1.00 0.14 C ATOM 358 CG TYR A 22 4.710 9.416 -11.631 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.517 8.033 -11.452 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.725 10.178 -12.293 1.00 -0.15 C ATOM 361 CE1 TYR A 22 3.364 7.411 -11.962 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.580 9.553 -12.831 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.412 8.155 -12.681 1.00 0.08 C ATOM 364 OH TYR A 22 1.371 7.471 -13.228 1.00 -0.53 O ATOM 0 H TYR A 22 6.308 12.266 -9.626 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.973 9.358 -9.244 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.101 11.017 -11.738 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.832 9.424 -11.730 1.00 0.14 H new ATOM 0 HD1 TYR A 22 5.255 7.449 -10.922 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.848 11.247 -12.389 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 3.208 6.355 -11.800 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.837 10.137 -13.354 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.780 8.096 -13.699 1.00 -0.53 H new ATOM 374 N THR A 23 8.488 9.039 -9.381 1.00 -0.73 N ATOM 375 CA THR A 23 9.898 8.793 -9.089 1.00 0.36 C ATOM 376 C THR A 23 10.752 8.890 -10.365 1.00 0.57 C ATOM 377 O THR A 23 10.243 9.206 -11.444 1.00 -0.57 O ATOM 378 CB THR A 23 10.019 7.427 -8.366 1.00 0.28 C ATOM 379 OG1 THR A 23 11.329 7.226 -7.875 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.652 6.230 -9.250 1.00 0.00 C ATOM 0 H THR A 23 7.942 8.178 -9.387 1.00 -0.73 H new ATOM 0 HA THR A 23 10.291 9.561 -8.423 1.00 0.36 H new ATOM 0 HB THR A 23 9.302 7.477 -7.547 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.379 6.359 -7.422 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.760 5.309 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.620 6.329 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.315 6.200 -10.115 1.00 0.00 H new ATOM 388 N ARG A 24 12.054 8.595 -10.242 1.00 -0.73 N ATOM 389 CA ARG A 24 13.034 8.749 -11.319 1.00 0.36 C ATOM 390 C ARG A 24 13.874 7.480 -11.576 1.00 0.57 C ATOM 391 O ARG A 24 14.269 7.266 -12.723 1.00 -0.57 O ATOM 392 CB ARG A 24 13.903 10.000 -11.032 1.00 0.00 C ATOM 393 CG ARG A 24 13.937 10.968 -12.228 1.00 0.00 C ATOM 394 CD ARG A 24 14.893 12.156 -12.005 1.00 0.33 C ATOM 395 NE ARG A 24 15.193 12.862 -13.273 1.00 -0.84 N ATOM 396 CZ ARG A 24 14.506 13.859 -13.862 1.00 1.20 C ATOM 397 NH1 ARG A 24 13.497 14.475 -13.246 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.811 14.211 -15.115 1.00 -0.97 N ATOM 0 H ARG A 24 12.459 8.237 -9.377 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.494 8.898 -12.254 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.512 10.519 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.919 9.688 -10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.242 10.424 -13.122 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.931 11.346 -12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.447 12.854 -11.296 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.821 11.798 -11.559 1.00 0.33 H new ATOM 0 HE ARG A 24 16.031 12.551 -13.765 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 13.227 14.194 -12.303 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 12.995 15.227 -13.717 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.557 13.726 -15.614 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 14.298 14.965 -15.572 1.00 -0.97 H new ATOM 412 N ASP A 25 14.099 6.610 -10.572 1.00 -0.73 N ATOM 413 CA ASP A 25 14.848 5.340 -10.730 1.00 0.36 C ATOM 414 C ASP A 25 14.138 4.383 -11.706 1.00 0.57 C ATOM 415 O ASP A 25 14.767 3.529 -12.331 1.00 -0.57 O ATOM 416 CB ASP A 25 15.039 4.649 -9.356 1.00 0.06 C ATOM 417 CG ASP A 25 16.300 3.759 -9.235 1.00 0.66 C ATOM 418 OD1 ASP A 25 17.179 4.169 -8.494 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.379 2.593 -9.869 1.00 -0.65 O ATOM 0 H ASP A 25 13.765 6.766 -9.621 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.825 5.584 -11.147 1.00 0.36 H new ATOM 0 HB2 ASP A 25 15.081 5.417 -8.584 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.161 4.037 -9.150 1.00 0.06 H new ATOM 425 N LEU A 26 12.822 4.558 -11.873 1.00 -0.73 N ATOM 426 CA LEU A 26 11.942 3.729 -12.687 1.00 0.36 C ATOM 427 C LEU A 26 10.811 4.595 -13.261 1.00 0.57 C ATOM 428 O LEU A 26 10.417 5.572 -12.622 1.00 -0.57 O ATOM 429 CB LEU A 26 11.397 2.538 -11.872 1.00 0.00 C ATOM 430 CG LEU A 26 10.892 2.859 -10.444 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.376 2.703 -10.326 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.552 1.924 -9.437 1.00 0.00 C ATOM 0 H LEU A 26 12.322 5.322 -11.419 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.508 3.309 -13.518 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.578 2.087 -12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.183 1.787 -11.796 1.00 0.00 H new ATOM 0 HG LEU A 26 11.154 3.897 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.064 2.938 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.885 3.383 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.096 1.677 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.192 2.156 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.303 0.891 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.633 2.055 -9.473 1.00 0.00 H new ATOM 444 N PRO A 27 10.321 4.289 -14.478 1.00 -0.66 N ATOM 445 CA PRO A 27 9.418 5.167 -15.206 1.00 0.36 C ATOM 446 C PRO A 27 7.988 5.149 -14.650 1.00 0.57 C ATOM 447 O PRO A 27 7.563 4.228 -13.950 1.00 -0.57 O ATOM 448 CB PRO A 27 9.486 4.709 -16.667 1.00 0.00 C ATOM 449 CG PRO A 27 9.936 3.251 -16.605 1.00 0.00 C ATOM 450 CD PRO A 27 10.697 3.135 -15.286 1.00 0.30 C ATOM 0 HA PRO A 27 9.722 6.209 -15.103 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.516 4.802 -17.155 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.189 5.315 -17.238 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.084 2.572 -16.631 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.572 2.997 -17.453 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.444 2.206 -14.774 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.773 3.120 -15.461 1.00 0.30 H new ATOM 458 N HIS A 28 7.223 6.182 -15.007 1.00 -0.73 N ATOM 459 CA HIS A 28 5.914 6.463 -14.423 1.00 0.36 C ATOM 460 C HIS A 28 4.893 5.415 -14.877 1.00 0.57 C ATOM 461 O HIS A 28 4.072 4.947 -14.091 1.00 -0.57 O ATOM 462 CB HIS A 28 5.453 7.855 -14.874 1.00 0.17 C ATOM 463 CG HIS A 28 6.386 9.014 -14.597 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.663 8.994 -14.081 1.00 -0.70 N flip ATOM 465 CD2 HIS A 28 6.078 10.332 -14.841 1.00 0.20 C flip ATOM 466 CE1 HIS A 28 8.133 10.304 -14.025 1.00 0.65 C flip ATOM 467 NE2 HIS A 28 7.138 11.076 -14.478 1.00 -0.70 N flip ATOM 0 H HIS A 28 7.501 6.856 -15.721 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.992 6.429 -13.336 1.00 0.36 H new ATOM 0 HB2 HIS A 28 5.268 7.819 -15.948 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.498 8.067 -14.393 1.00 0.17 H new ATOM 0 HD2 HIS A 28 5.150 10.703 -15.251 1.00 0.20 H new ATOM 0 HE1 HIS A 28 9.104 10.631 -13.685 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.178 12.093 -14.540 1.00 -0.70 H new ATOM 476 N ILE A 29 5.004 5.016 -16.147 1.00 -0.73 N ATOM 477 CA ILE A 29 4.257 3.912 -16.724 1.00 0.36 C ATOM 478 C ILE A 29 4.558 2.610 -15.971 1.00 0.57 C ATOM 479 O ILE A 29 3.630 1.838 -15.755 1.00 -0.57 O ATOM 480 CB ILE A 29 4.532 3.838 -18.245 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.668 2.745 -18.907 1.00 0.00 C ATOM 482 CG2 ILE A 29 6.032 3.670 -18.568 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.685 2.794 -20.439 1.00 0.00 C ATOM 0 H ILE A 29 5.632 5.467 -16.812 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.186 4.077 -16.610 1.00 0.36 H new ATOM 0 HB ILE A 29 4.241 4.797 -18.674 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.020 1.767 -18.579 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.640 2.846 -18.560 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.169 3.624 -19.648 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.588 4.518 -18.168 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.401 2.749 -18.116 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.056 1.997 -20.836 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.305 3.758 -20.776 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.706 2.662 -20.796 1.00 0.00 H new ATOM 495 N THR A 30 5.802 2.373 -15.519 1.00 -0.73 N ATOM 496 CA THR A 30 6.103 1.221 -14.677 1.00 0.36 C ATOM 497 C THR A 30 5.398 1.387 -13.336 1.00 0.57 C ATOM 498 O THR A 30 4.753 0.434 -12.916 1.00 -0.57 O ATOM 499 CB THR A 30 7.617 0.983 -14.524 1.00 0.28 C ATOM 500 OG1 THR A 30 8.120 0.446 -15.727 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.975 -0.015 -13.416 1.00 0.00 C ATOM 0 H THR A 30 6.606 2.966 -15.726 1.00 -0.73 H new ATOM 0 HA THR A 30 5.724 0.322 -15.162 1.00 0.36 H new ATOM 0 HB THR A 30 8.050 1.950 -14.270 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.084 0.293 -15.639 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.058 -0.132 -13.367 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.607 0.356 -12.459 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.515 -0.979 -13.633 1.00 0.00 H new ATOM 509 N VAL A 31 5.454 2.556 -12.682 1.00 -0.73 N ATOM 510 CA VAL A 31 4.743 2.747 -11.416 1.00 0.36 C ATOM 511 C VAL A 31 3.258 2.431 -11.594 1.00 0.57 C ATOM 512 O VAL A 31 2.731 1.627 -10.830 1.00 -0.57 O ATOM 513 CB VAL A 31 4.957 4.160 -10.840 1.00 0.00 C ATOM 514 CG1 VAL A 31 4.050 4.419 -9.630 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.408 4.378 -10.418 1.00 0.00 C ATOM 0 H VAL A 31 5.977 3.370 -13.005 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.159 2.051 -10.688 1.00 0.36 H new ATOM 0 HB VAL A 31 4.703 4.858 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.228 5.425 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.007 4.324 -9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.270 3.692 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.523 5.385 -10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.678 3.649 -9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.061 4.256 -11.282 1.00 0.00 H new ATOM 525 N ASP A 32 2.597 3.005 -12.605 1.00 -0.73 N ATOM 526 CA ASP A 32 1.177 2.762 -12.850 1.00 0.36 C ATOM 527 C ASP A 32 0.910 1.305 -13.242 1.00 0.57 C ATOM 528 O ASP A 32 -0.098 0.747 -12.822 1.00 -0.57 O ATOM 529 CB ASP A 32 0.676 3.721 -13.925 1.00 0.06 C ATOM 530 CG ASP A 32 -0.830 3.627 -14.147 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.595 3.670 -13.197 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.251 3.683 -15.407 1.00 -0.65 O ATOM 0 H ASP A 32 3.030 3.646 -13.270 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.630 2.944 -11.925 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.934 4.742 -13.643 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.191 3.509 -14.862 1.00 0.06 H new ATOM 538 N ARG A 33 1.810 0.648 -13.985 1.00 -0.73 N ATOM 539 CA ARG A 33 1.659 -0.770 -14.313 1.00 0.36 C ATOM 540 C ARG A 33 1.821 -1.668 -13.090 1.00 0.57 C ATOM 541 O ARG A 33 1.043 -2.611 -12.927 1.00 -0.57 O ATOM 542 CB ARG A 33 2.679 -1.194 -15.386 1.00 0.00 C ATOM 543 CG ARG A 33 2.180 -0.946 -16.814 1.00 0.00 C ATOM 544 CD ARG A 33 0.908 -1.759 -17.091 1.00 0.33 C ATOM 545 NE ARG A 33 1.046 -2.637 -18.264 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.461 -3.838 -18.375 1.00 1.20 C ATOM 547 NH1 ARG A 33 -0.446 -4.257 -17.493 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.817 -4.647 -19.364 1.00 -0.97 N ATOM 0 H ARG A 33 2.651 1.079 -14.369 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.646 -0.892 -14.695 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.610 -0.648 -15.232 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.907 -2.253 -15.265 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.977 0.116 -16.955 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.956 -1.220 -17.529 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.668 -2.362 -16.215 1.00 0.33 H new ATOM 0 HD3 ARG A 33 0.072 -1.078 -17.247 1.00 0.33 H new ATOM 0 HE ARG A 33 1.622 -2.312 -19.040 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -0.710 -3.659 -16.710 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -0.876 -5.176 -17.601 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.530 -4.353 -20.032 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 0.378 -5.563 -19.457 1.00 -0.97 H new ATOM 562 N LEU A 34 2.831 -1.398 -12.259 1.00 -0.73 N ATOM 563 CA LEU A 34 3.066 -2.129 -11.029 1.00 0.36 C ATOM 564 C LEU A 34 1.878 -1.887 -10.098 1.00 0.57 C ATOM 565 O LEU A 34 1.315 -2.858 -9.608 1.00 -0.57 O ATOM 566 CB LEU A 34 4.427 -1.765 -10.393 1.00 0.00 C ATOM 567 CG LEU A 34 5.679 -2.190 -11.202 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.954 -1.898 -10.396 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.698 -3.659 -11.652 1.00 0.00 C ATOM 0 H LEU A 34 3.511 -0.657 -12.430 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.136 -3.197 -11.234 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.461 -0.686 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.481 -2.224 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 34 5.637 -1.595 -12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.827 -2.201 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.013 -0.831 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.928 -2.455 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.613 -3.857 -12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.659 -4.308 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.835 -3.856 -12.289 1.00 0.00 H new ATOM 581 N VAL A 35 1.420 -0.642 -9.919 1.00 -0.73 N ATOM 582 CA VAL A 35 0.214 -0.339 -9.151 1.00 0.36 C ATOM 583 C VAL A 35 -1.013 -1.046 -9.741 1.00 0.57 C ATOM 584 O VAL A 35 -1.737 -1.665 -8.969 1.00 -0.57 O ATOM 585 CB VAL A 35 0.055 1.191 -8.973 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.384 1.658 -8.731 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.900 1.636 -7.768 1.00 0.00 C ATOM 0 H VAL A 35 1.879 0.183 -10.305 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.312 -0.744 -8.144 1.00 0.36 H new ATOM 0 HB VAL A 35 0.381 1.638 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.401 2.742 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.007 1.372 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.770 1.193 -7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.798 2.712 -7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.555 1.121 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.947 1.391 -7.947 1.00 0.00 H new ATOM 597 N SER A 36 -1.225 -1.049 -11.065 1.00 -0.73 N ATOM 598 CA SER A 36 -2.328 -1.780 -11.692 1.00 0.36 C ATOM 599 C SER A 36 -2.314 -3.260 -11.296 1.00 0.57 C ATOM 600 O SER A 36 -3.345 -3.764 -10.846 1.00 -0.57 O ATOM 601 CB SER A 36 -2.289 -1.622 -13.223 1.00 0.28 C ATOM 602 OG SER A 36 -3.022 -0.484 -13.633 1.00 -0.68 O ATOM 0 H SER A 36 -0.636 -0.545 -11.728 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.261 -1.349 -11.328 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.255 -1.533 -13.557 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.701 -2.514 -13.695 1.00 0.28 H new ATOM 0 HG SER A 36 -2.982 -0.403 -14.609 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.170 -3.958 -11.410 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.121 -5.377 -11.044 1.00 0.36 C ATOM 610 C LYS A 37 -1.131 -5.585 -9.518 1.00 0.57 C ATOM 611 O LYS A 37 -1.726 -6.556 -9.056 1.00 -0.57 O ATOM 612 CB LYS A 37 0.029 -6.118 -11.760 1.00 0.00 C ATOM 613 CG LYS A 37 1.432 -5.693 -11.308 1.00 0.00 C ATOM 614 CD LYS A 37 2.584 -6.497 -11.931 1.00 0.00 C ATOM 615 CE LYS A 37 2.784 -6.222 -13.431 1.00 0.50 C ATOM 616 NZ LYS A 37 2.987 -7.464 -14.222 1.00 -0.85 N ATOM 0 H LYS A 37 -0.288 -3.570 -11.745 1.00 -0.73 H new ATOM 0 HA LYS A 37 -2.040 -5.837 -11.406 1.00 0.36 H new ATOM 0 HB2 LYS A 37 -0.085 -7.189 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.060 -5.952 -12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.572 -4.639 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.491 -5.782 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.507 -6.264 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.394 -7.561 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.915 -5.689 -13.817 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.645 -5.567 -13.564 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.116 -7.220 -15.225 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.831 -7.962 -13.875 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.155 -8.080 -14.120 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.532 -4.685 -8.729 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.509 -4.753 -7.268 1.00 0.36 C ATOM 632 C ALA A 38 -1.911 -4.563 -6.690 1.00 0.57 C ATOM 633 O ALA A 38 -2.338 -5.311 -5.811 1.00 -0.57 O ATOM 634 CB ALA A 38 0.410 -3.655 -6.719 1.00 0.00 C ATOM 0 H ALA A 38 -0.040 -3.872 -9.100 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.139 -5.736 -6.977 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.427 -3.706 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.419 -3.799 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.038 -2.679 -7.031 1.00 0.00 H new ATOM 640 N LEU A 39 -2.642 -3.569 -7.196 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.030 -3.360 -6.833 1.00 0.36 C ATOM 642 C LEU A 39 -4.869 -4.519 -7.354 1.00 0.57 C ATOM 643 O LEU A 39 -5.703 -5.014 -6.602 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.538 -2.010 -7.364 1.00 0.00 C ATOM 645 CG LEU A 39 -4.043 -0.800 -6.550 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.476 0.504 -7.231 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.616 -0.819 -5.125 1.00 0.00 C ATOM 0 H LEU A 39 -2.282 -2.891 -7.868 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.118 -3.329 -5.747 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.220 -1.894 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.628 -2.016 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.956 -0.858 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.121 1.354 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.051 0.549 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.564 0.537 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.249 0.047 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.705 -0.786 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.301 -1.731 -4.618 1.00 0.00 H new ATOM 659 N ASN A 40 -4.623 -5.013 -8.579 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.280 -6.228 -9.056 1.00 0.36 C ATOM 661 C ASN A 40 -5.092 -7.372 -8.057 1.00 0.57 C ATOM 662 O ASN A 40 -6.073 -8.022 -7.732 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.799 -6.619 -10.464 1.00 0.06 C ATOM 664 CG ASN A 40 -5.567 -7.790 -11.078 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.700 -8.084 -10.715 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.972 -8.473 -12.048 1.00 -0.80 N ATOM 0 H ASN A 40 -3.979 -4.590 -9.247 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.348 -6.023 -9.133 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.889 -5.754 -11.121 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.741 -6.876 -10.418 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.458 -9.249 -12.497 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.029 -8.222 -12.344 1.00 -0.80 H new ATOM 673 N MET A 41 -3.896 -7.576 -7.487 1.00 -0.73 N ATOM 674 CA MET A 41 -3.689 -8.595 -6.452 1.00 0.36 C ATOM 675 C MET A 41 -4.576 -8.370 -5.215 1.00 0.57 C ATOM 676 O MET A 41 -5.121 -9.350 -4.713 1.00 -0.57 O ATOM 677 CB MET A 41 -2.209 -8.699 -6.055 1.00 0.00 C ATOM 678 CG MET A 41 -1.318 -9.230 -7.187 1.00 0.23 C ATOM 679 SD MET A 41 0.392 -8.606 -7.201 1.00 -0.46 S ATOM 680 CE MET A 41 0.984 -9.157 -5.579 1.00 0.23 C ATOM 0 H MET A 41 -3.057 -7.047 -7.727 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.992 -9.546 -6.891 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.851 -7.716 -5.750 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.116 -9.355 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.288 -10.318 -7.122 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.785 -8.980 -8.140 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.026 -8.862 -5.452 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.379 -8.699 -4.796 1.00 0.23 H new ATOM 0 HE3 MET A 41 0.904 -10.242 -5.512 1.00 0.23 H new ATOM 690 N TRP A 42 -4.791 -7.125 -4.765 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.760 -6.812 -3.706 1.00 0.36 C ATOM 692 C TRP A 42 -7.203 -7.111 -4.171 1.00 0.57 C ATOM 693 O TRP A 42 -7.977 -7.739 -3.451 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.587 -5.348 -3.244 1.00 0.18 C ATOM 695 CG TRP A 42 -4.508 -5.108 -2.223 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.204 -4.823 -2.458 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.627 -5.152 -0.767 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.528 -4.718 -1.255 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.331 -5.039 -0.190 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.705 -5.302 0.124 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.090 -5.214 1.180 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.487 -5.402 1.511 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.183 -5.406 2.037 1.00 -0.15 C ATOM 0 H TRP A 42 -4.298 -6.308 -5.125 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.567 -7.455 -2.847 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.377 -4.733 -4.119 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.535 -5.002 -2.832 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.760 -4.697 -3.435 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.551 -4.436 -1.170 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.713 -5.341 -0.261 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.082 -5.201 1.568 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.332 -5.477 2.180 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.024 -5.556 3.095 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.568 -6.738 -5.404 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.913 -6.933 -5.968 1.00 0.36 C ATOM 716 C GLY A 43 -9.174 -8.367 -6.448 1.00 0.57 C ATOM 717 O GLY A 43 -10.296 -8.722 -6.814 1.00 -0.57 O ATOM 0 H GLY A 43 -6.925 -6.283 -6.052 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.656 -6.670 -5.215 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -9.050 -6.248 -6.804 1.00 0.36 H new ATOM 721 N LYS A 44 -8.144 -9.216 -6.438 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.249 -10.650 -6.678 1.00 0.36 C ATOM 723 C LYS A 44 -8.788 -11.356 -5.427 1.00 0.57 C ATOM 724 O LYS A 44 -9.182 -12.523 -5.530 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.862 -11.194 -7.088 1.00 0.00 C ATOM 726 CG LYS A 44 -6.896 -12.517 -7.871 1.00 0.00 C ATOM 727 CD LYS A 44 -7.116 -12.293 -9.379 1.00 0.00 C ATOM 728 CE LYS A 44 -7.551 -13.578 -10.102 1.00 0.50 C ATOM 729 NZ LYS A 44 -6.479 -14.589 -10.242 1.00 -0.85 N ATOM 0 H LYS A 44 -7.187 -8.912 -6.257 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.951 -10.845 -7.489 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -6.357 -10.442 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.262 -11.335 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.959 -13.053 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.693 -13.149 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.874 -11.523 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.195 -11.921 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.385 -14.022 -9.559 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -7.920 -13.316 -11.094 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -6.851 -15.423 -10.739 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.690 -14.185 -10.786 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -6.141 -14.870 -9.299 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.828 -10.676 -4.272 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.217 -11.243 -2.983 1.00 0.36 C ATOM 745 C GLU A 45 -10.581 -10.720 -2.516 1.00 0.57 C ATOM 746 O GLU A 45 -11.221 -11.379 -1.700 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.158 -10.895 -1.923 1.00 0.00 C ATOM 748 CG GLU A 45 -6.744 -11.373 -2.287 1.00 0.06 C ATOM 749 CD GLU A 45 -5.676 -10.976 -1.261 1.00 0.66 C ATOM 750 OE1 GLU A 45 -5.899 -10.037 -0.515 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -4.565 -11.707 -1.273 1.00 -0.65 O ATOM 0 H GLU A 45 -8.582 -9.688 -4.213 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.291 -12.323 -3.109 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.142 -9.815 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.449 -11.339 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.752 -12.458 -2.389 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.471 -10.964 -3.260 1.00 0.06 H new ATOM 759 N ILE A 46 -11.040 -9.571 -3.031 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.301 -8.931 -2.648 1.00 0.36 C ATOM 761 C ILE A 46 -13.006 -8.377 -3.884 1.00 0.57 C ATOM 762 O ILE A 46 -12.336 -7.981 -4.834 1.00 -0.57 O ATOM 763 CB ILE A 46 -12.079 -7.797 -1.615 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.877 -6.872 -1.925 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.972 -8.455 -0.241 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.845 -5.577 -1.100 1.00 0.00 C ATOM 0 H ILE A 46 -10.530 -9.049 -3.744 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.928 -9.691 -2.181 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.928 -7.115 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.954 -7.424 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.896 -6.614 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.815 -7.689 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.893 -8.997 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.132 -9.150 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.971 -4.989 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.749 -5.000 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.792 -5.823 -0.039 1.00 0.00 H new ATOM 778 N PRO A 47 -14.348 -8.259 -3.870 1.00 -0.66 N ATOM 779 CA PRO A 47 -15.112 -7.712 -4.987 1.00 0.36 C ATOM 780 C PRO A 47 -15.021 -6.174 -5.085 1.00 0.57 C ATOM 781 O PRO A 47 -15.809 -5.551 -5.801 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.540 -8.219 -4.752 1.00 0.00 C ATOM 783 CG PRO A 47 -16.653 -8.318 -3.231 1.00 0.00 C ATOM 784 CD PRO A 47 -15.234 -8.662 -2.784 1.00 0.30 C ATOM 0 HA PRO A 47 -14.719 -8.039 -5.950 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -17.280 -7.532 -5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.703 -9.186 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.994 -7.380 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.365 -9.087 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.980 -8.139 -1.862 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -15.139 -9.729 -2.582 1.00 0.30 H new ATOM 792 N LEU A 48 -14.087 -5.538 -4.372 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.880 -4.095 -4.413 1.00 0.36 C ATOM 794 C LEU A 48 -13.024 -3.790 -5.639 1.00 0.57 C ATOM 795 O LEU A 48 -12.053 -4.498 -5.912 1.00 -0.57 O ATOM 796 CB LEU A 48 -13.227 -3.643 -3.099 1.00 0.00 C ATOM 797 CG LEU A 48 -13.594 -2.208 -2.660 1.00 0.00 C ATOM 798 CD1 LEU A 48 -13.408 -2.104 -1.145 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.758 -1.121 -3.338 1.00 0.00 C ATOM 0 H LEU A 48 -13.446 -6.022 -3.742 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.817 -3.545 -4.502 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.515 -4.336 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.144 -3.711 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.628 -2.036 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.663 -1.097 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.059 -2.824 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.370 -2.318 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.074 -0.142 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.705 -1.272 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.899 -1.174 -4.418 1.00 0.00 H new ATOM 811 N HIS A 49 -13.408 -2.760 -6.392 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.799 -2.428 -7.674 1.00 0.36 C ATOM 813 C HIS A 49 -12.140 -1.053 -7.585 1.00 0.57 C ATOM 814 O HIS A 49 -12.333 -0.319 -6.614 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.874 -2.481 -8.774 1.00 0.17 C ATOM 816 CG HIS A 49 -14.304 -3.878 -9.167 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.781 -4.878 -8.341 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.294 -4.392 -10.437 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.015 -5.963 -9.096 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.764 -5.709 -10.389 1.00 -0.70 N ATOM 0 H HIS A 49 -14.161 -2.126 -6.123 1.00 -0.73 H new ATOM 0 HA HIS A 49 -12.023 -3.151 -7.927 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.750 -1.927 -8.435 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.496 -1.969 -9.659 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.929 -4.805 -7.335 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.976 -3.868 -11.326 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.359 -6.913 -8.714 1.00 0.65 H new ATOM 829 N PHE A 50 -11.368 -0.672 -8.603 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.618 0.572 -8.567 1.00 0.36 C ATOM 831 C PHE A 50 -10.867 1.346 -9.859 1.00 0.57 C ATOM 832 O PHE A 50 -11.253 0.776 -10.887 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.125 0.317 -8.271 1.00 0.14 C ATOM 834 CG PHE A 50 -8.823 -0.962 -7.495 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.213 -1.113 -6.149 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.221 -2.046 -8.158 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.976 -2.309 -5.458 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.009 -3.254 -7.475 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.358 -3.374 -6.119 1.00 -0.15 C ATOM 0 H PHE A 50 -11.249 -1.211 -9.461 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.967 1.195 -7.744 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.584 0.285 -9.217 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.733 1.165 -7.709 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.702 -0.294 -5.642 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -7.922 -1.949 -9.191 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.269 -2.407 -4.423 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.575 -4.096 -7.994 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.148 -4.290 -5.587 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.644 2.657 -9.792 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.771 3.590 -10.900 1.00 0.36 C ATOM 851 C ARG A 51 -9.526 4.465 -10.935 1.00 0.57 C ATOM 852 O ARG A 51 -8.779 4.565 -9.957 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.050 4.450 -10.749 1.00 0.00 C ATOM 854 CG ARG A 51 -12.985 4.398 -11.975 1.00 0.00 C ATOM 855 CD ARG A 51 -14.212 3.529 -11.679 1.00 0.33 C ATOM 856 NE ARG A 51 -15.117 3.388 -12.834 1.00 -0.84 N ATOM 857 CZ ARG A 51 -16.409 3.029 -12.780 1.00 1.20 C ATOM 858 NH1 ARG A 51 -17.019 2.777 -11.616 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -17.095 2.915 -13.915 1.00 -0.97 N ATOM 0 H ARG A 51 -10.358 3.113 -8.926 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.860 3.042 -11.838 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.600 4.114 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.761 5.485 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.302 5.406 -12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.446 3.997 -12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.881 2.540 -11.363 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.763 3.963 -10.845 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.726 3.580 -13.756 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.501 2.856 -10.741 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -18.002 2.506 -11.604 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.638 3.100 -14.808 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -18.078 2.643 -13.892 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.347 5.140 -12.067 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.235 6.033 -12.305 1.00 0.36 C ATOM 875 C LYS A 52 -8.848 7.267 -12.951 1.00 0.57 C ATOM 876 O LYS A 52 -9.464 7.172 -14.018 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.197 5.324 -13.191 1.00 0.00 C ATOM 878 CG LYS A 52 -5.806 5.940 -13.008 1.00 0.00 C ATOM 879 CD LYS A 52 -4.836 5.425 -14.079 1.00 0.00 C ATOM 880 CE LYS A 52 -3.465 6.072 -13.881 1.00 0.50 C ATOM 881 NZ LYS A 52 -2.624 5.950 -15.086 1.00 -0.85 N ATOM 0 H LYS A 52 -9.989 5.075 -12.857 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.698 6.322 -11.402 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.165 4.263 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.496 5.397 -14.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.874 7.026 -13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.423 5.696 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.750 4.340 -14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.219 5.657 -15.073 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.593 7.125 -13.632 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -2.960 5.603 -13.036 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -1.674 6.324 -14.886 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.551 4.949 -15.359 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.052 6.491 -15.864 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.759 8.403 -12.261 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.257 9.687 -12.749 1.00 0.36 C ATOM 897 C VAL A 53 -8.128 10.411 -13.493 1.00 0.57 C ATOM 898 O VAL A 53 -6.959 10.042 -13.378 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.833 10.524 -11.583 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.145 9.897 -11.069 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.831 10.731 -10.438 1.00 0.00 C ATOM 0 H VAL A 53 -8.333 8.458 -11.336 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.077 9.531 -13.450 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.046 11.517 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.538 10.497 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.875 9.866 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.951 8.884 -10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.295 11.326 -9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.535 9.763 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.951 11.252 -10.815 1.00 0.00 H new ATOM 911 N VAL A 54 -8.481 11.444 -14.265 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.514 12.286 -14.971 1.00 0.36 C ATOM 913 C VAL A 54 -6.986 13.406 -14.059 1.00 0.57 C ATOM 914 O VAL A 54 -5.805 13.751 -14.146 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.179 12.812 -16.270 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.662 14.171 -16.766 1.00 0.00 C ATOM 917 CG2 VAL A 54 -7.994 11.776 -17.390 1.00 0.00 C ATOM 0 H VAL A 54 -9.451 11.720 -14.417 1.00 -0.73 H new ATOM 0 HA VAL A 54 -6.635 11.706 -15.251 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.228 12.964 -16.016 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.189 14.450 -17.678 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.836 14.928 -16.001 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.594 14.101 -16.971 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.460 12.142 -18.305 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.930 11.615 -17.564 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.460 10.836 -17.096 1.00 0.00 H new ATOM 927 N TRP A 55 -7.841 13.966 -13.190 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.462 15.040 -12.277 1.00 0.36 C ATOM 929 C TRP A 55 -6.326 14.588 -11.352 1.00 0.57 C ATOM 930 O TRP A 55 -6.200 13.406 -11.031 1.00 -0.57 O ATOM 931 CB TRP A 55 -8.684 15.511 -11.466 1.00 0.18 C ATOM 932 CG TRP A 55 -9.216 16.871 -11.817 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -8.649 18.049 -11.463 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -10.448 17.228 -12.519 1.00 0.00 C ATOM 935 NE1 TRP A 55 -9.433 19.102 -11.886 1.00 0.03 N ATOM 936 CE2 TRP A 55 -10.560 18.654 -12.545 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -11.498 16.492 -13.115 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -11.657 19.309 -13.129 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -12.608 17.138 -13.692 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -12.690 18.542 -13.696 1.00 -0.15 C ATOM 0 H TRP A 55 -8.817 13.681 -13.105 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.099 15.884 -12.864 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -9.485 14.783 -11.596 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -8.418 15.507 -10.409 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -7.717 18.149 -10.927 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -9.209 20.085 -11.732 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -11.448 15.413 -13.128 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -11.706 20.388 -13.142 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -13.401 16.552 -14.134 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -13.547 19.031 -14.135 1.00 -0.15 H new ATOM 951 N GLY A 56 -5.522 15.544 -10.875 1.00 -0.73 N ATOM 952 CA GLY A 56 -4.392 15.301 -9.979 1.00 0.36 C ATOM 953 C GLY A 56 -4.812 15.129 -8.516 1.00 0.57 C ATOM 954 O GLY A 56 -4.164 15.685 -7.635 1.00 -0.57 O ATOM 0 H GLY A 56 -5.644 16.530 -11.108 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -3.862 14.406 -10.306 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -3.691 16.132 -10.054 1.00 0.36 H new ATOM 958 N THR A 57 -5.915 14.423 -8.256 1.00 -0.73 N ATOM 959 CA THR A 57 -6.474 14.221 -6.923 1.00 0.36 C ATOM 960 C THR A 57 -7.463 13.054 -7.005 1.00 0.57 C ATOM 961 O THR A 57 -8.125 12.892 -8.031 1.00 -0.57 O ATOM 962 CB THR A 57 -7.116 15.537 -6.429 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.672 15.377 -5.142 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.189 16.120 -7.363 1.00 0.00 C ATOM 0 H THR A 57 -6.456 13.965 -8.989 1.00 -0.73 H new ATOM 0 HA THR A 57 -5.708 13.963 -6.192 1.00 0.36 H new ATOM 0 HB THR A 57 -6.292 16.250 -6.411 1.00 0.28 H new ATOM 0 HG1 THR A 57 -8.071 16.223 -4.850 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.582 17.042 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.748 16.332 -8.337 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.999 15.400 -7.481 1.00 0.00 H new ATOM 972 N ALA A 58 -7.526 12.216 -5.961 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.325 10.997 -5.923 1.00 0.36 C ATOM 974 C ALA A 58 -8.475 10.524 -4.468 1.00 0.57 C ATOM 975 O ALA A 58 -7.935 11.151 -3.549 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.643 9.929 -6.792 1.00 0.00 C ATOM 0 H ALA A 58 -7.006 12.378 -5.099 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.323 11.183 -6.319 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.232 9.012 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.568 10.289 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.645 9.727 -6.404 1.00 0.00 H new ATOM 982 N ASP A 59 -9.178 9.403 -4.250 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.321 8.806 -2.920 1.00 0.36 C ATOM 984 C ASP A 59 -7.951 8.345 -2.427 1.00 0.57 C ATOM 985 O ASP A 59 -7.680 8.440 -1.233 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.263 7.590 -2.906 1.00 0.06 C ATOM 987 CG ASP A 59 -11.652 7.816 -3.495 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.124 6.880 -4.119 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.229 9.004 -3.336 1.00 -0.65 O ATOM 0 H ASP A 59 -9.660 8.889 -4.988 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.749 9.573 -2.275 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.785 6.778 -3.454 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.377 7.255 -1.875 1.00 0.06 H new ATOM 995 N ILE A 60 -7.088 7.921 -3.361 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.732 7.446 -3.140 1.00 0.36 C ATOM 997 C ILE A 60 -4.791 8.295 -4.010 1.00 0.57 C ATOM 998 O ILE A 60 -4.607 8.049 -5.200 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.664 5.955 -3.509 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.573 5.034 -2.670 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.234 5.418 -3.441 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.301 4.036 -3.560 1.00 0.00 C ATOM 0 H ILE A 60 -7.342 7.903 -4.349 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.431 7.545 -2.097 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.037 5.929 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.975 4.500 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.298 5.634 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.229 4.361 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.604 5.972 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.848 5.538 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.936 3.397 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.916 4.573 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.573 3.422 -4.090 1.00 0.00 H new ATOM 1014 N MET A 61 -4.194 9.309 -3.404 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.253 10.255 -3.958 1.00 0.36 C ATOM 1016 C MET A 61 -1.870 9.791 -3.519 1.00 0.57 C ATOM 1017 O MET A 61 -1.452 9.988 -2.376 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.596 11.664 -3.443 1.00 0.00 C ATOM 1019 CG MET A 61 -2.869 12.761 -4.216 1.00 0.23 C ATOM 1020 SD MET A 61 -3.346 14.437 -3.707 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.834 14.992 -2.871 1.00 0.23 C ATOM 0 H MET A 61 -4.377 9.504 -2.420 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.289 10.302 -5.046 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.672 11.823 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.336 11.735 -2.387 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.794 12.640 -4.080 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.071 12.641 -5.280 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.087 15.741 -2.121 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.353 14.142 -2.387 1.00 0.23 H new ATOM 0 HE3 MET A 61 -1.153 15.427 -3.602 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.179 9.122 -4.433 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.160 8.607 -4.216 1.00 0.36 C ATOM 1033 C ILE A 62 1.114 9.691 -4.714 1.00 0.57 C ATOM 1034 O ILE A 62 0.966 10.178 -5.837 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.276 7.279 -4.979 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.596 6.179 -4.330 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.727 6.790 -5.080 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.085 5.157 -5.366 1.00 0.00 C ATOM 0 H ILE A 62 -1.544 8.920 -5.364 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.399 8.393 -3.174 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.087 7.475 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.021 5.668 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.454 6.638 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.756 5.848 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.326 7.534 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.131 6.640 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.694 4.400 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.682 5.664 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.227 4.679 -5.839 1.00 0.00 H new ATOM 1050 N GLY A 63 2.082 10.099 -3.890 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.996 11.169 -4.264 1.00 0.36 C ATOM 1052 C GLY A 63 4.296 11.080 -3.494 1.00 0.57 C ATOM 1053 O GLY A 63 4.296 10.697 -2.331 1.00 -0.57 O ATOM 0 H GLY A 63 2.249 9.704 -2.965 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.201 11.117 -5.333 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.525 12.134 -4.076 1.00 0.36 H new ATOM 1057 N PHE A 64 5.407 11.440 -4.131 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.729 11.201 -3.577 1.00 0.36 C ATOM 1059 C PHE A 64 7.407 12.551 -3.351 1.00 0.57 C ATOM 1060 O PHE A 64 7.222 13.478 -4.152 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.517 10.266 -4.511 1.00 0.14 C ATOM 1062 CG PHE A 64 6.715 9.136 -5.141 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.803 8.383 -4.383 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.863 8.847 -6.506 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.028 7.381 -4.983 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.080 7.846 -7.115 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.131 7.142 -6.361 1.00 -0.15 C ATOM 0 H PHE A 64 5.413 11.903 -5.040 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.676 10.695 -2.613 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.956 10.865 -5.309 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.343 9.831 -3.948 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.698 8.578 -3.326 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.583 9.396 -7.095 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.350 6.792 -4.383 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.211 7.621 -8.163 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.484 6.421 -6.838 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.157 12.654 -2.250 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.832 13.866 -1.792 1.00 0.36 C ATOM 1079 C ALA A 65 10.228 13.483 -1.298 1.00 0.57 C ATOM 1080 O ALA A 65 10.487 12.311 -1.059 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.016 14.517 -0.664 1.00 0.00 C ATOM 0 H ALA A 65 8.315 11.860 -1.629 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.920 14.585 -2.606 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.522 15.421 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.024 14.774 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.923 13.819 0.168 1.00 0.00 H new ATOM 1087 N ARG A 66 11.128 14.451 -1.106 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.514 14.196 -0.680 1.00 0.36 C ATOM 1089 C ARG A 66 12.700 14.465 0.825 1.00 0.57 C ATOM 1090 O ARG A 66 13.811 14.739 1.289 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.462 14.990 -1.604 1.00 0.00 C ATOM 1092 CG ARG A 66 13.589 14.332 -2.999 1.00 0.00 C ATOM 1093 CD ARG A 66 13.337 15.274 -4.188 1.00 0.33 C ATOM 1094 NE ARG A 66 11.910 15.632 -4.341 1.00 -0.84 N ATOM 1095 CZ ARG A 66 11.432 16.763 -4.888 1.00 1.20 C ATOM 1096 NH1 ARG A 66 12.244 17.698 -5.380 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 10.122 16.995 -4.948 1.00 -0.97 N ATOM 0 H ARG A 66 10.918 15.440 -1.241 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.767 13.141 -0.789 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.092 16.009 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.447 15.057 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.589 13.910 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.886 13.501 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.923 16.183 -4.056 1.00 0.33 H new ATOM 0 HD3 ARG A 66 13.688 14.798 -5.104 1.00 0.33 H new ATOM 0 HE ARG A 66 11.225 14.958 -4.000 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 13.255 17.565 -5.347 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 11.855 18.547 -5.790 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 9.465 16.309 -4.576 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 9.776 17.858 -5.366 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.594 14.407 1.574 1.00 -0.73 N ATOM 1112 CA GLY A 67 11.461 14.920 2.928 1.00 0.36 C ATOM 1113 C GLY A 67 10.844 16.318 2.894 1.00 0.57 C ATOM 1114 O GLY A 67 10.940 17.004 1.877 1.00 -0.57 O ATOM 0 H GLY A 67 10.733 13.981 1.231 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 10.836 14.251 3.520 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.438 14.955 3.411 1.00 0.36 H new ATOM 1118 N ALA A 68 10.221 16.715 4.017 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.463 17.954 4.216 1.00 0.36 C ATOM 1120 C ALA A 68 8.412 18.234 3.124 1.00 0.57 C ATOM 1121 O ALA A 68 8.720 18.712 2.029 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.422 19.129 4.439 1.00 0.00 C ATOM 0 H ALA A 68 10.237 16.141 4.860 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.868 17.821 5.119 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.848 20.044 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.032 18.938 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.068 19.242 3.568 1.00 0.00 H new ATOM 1128 N HIS A 69 7.141 17.966 3.454 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.000 18.158 2.567 1.00 0.36 C ATOM 1130 C HIS A 69 4.776 18.548 3.404 1.00 0.57 C ATOM 1131 O HIS A 69 4.736 18.295 4.606 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.762 16.905 1.694 1.00 0.17 C ATOM 1133 CG HIS A 69 5.607 15.568 2.395 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.414 15.037 3.379 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.685 14.604 2.086 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.948 13.812 3.687 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.905 13.494 2.903 1.00 -0.70 N ATOM 0 H HIS A 69 6.878 17.601 4.369 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.201 18.972 1.870 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.864 17.077 1.100 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.595 16.821 0.996 1.00 0.17 H new ATOM 0 HD2 HIS A 69 3.914 14.689 1.334 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.356 13.174 4.457 1.00 0.65 H new ATOM 0 HE2 HIS A 69 4.380 12.619 2.904 1.00 -0.70 H new ATOM 1146 N GLY A 70 3.797 19.200 2.769 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.607 19.732 3.421 1.00 0.36 C ATOM 1148 C GLY A 70 1.506 18.685 3.495 1.00 0.57 C ATOM 1149 O GLY A 70 0.463 18.854 2.870 1.00 -0.57 O ATOM 0 H GLY A 70 3.815 19.374 1.764 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 2.860 20.069 4.426 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.248 20.603 2.873 1.00 0.36 H new ATOM 1153 N ASP A 71 1.756 17.582 4.198 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.798 16.489 4.336 1.00 0.36 C ATOM 1155 C ASP A 71 0.187 16.464 5.744 1.00 0.57 C ATOM 1156 O ASP A 71 -1.036 16.517 5.878 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.502 15.166 3.992 1.00 0.06 C ATOM 1158 CG ASP A 71 2.538 14.721 5.030 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.298 15.559 5.487 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.450 13.470 5.474 1.00 -0.65 O ATOM 0 H ASP A 71 2.635 17.421 4.691 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.030 16.637 3.643 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.750 14.384 3.886 1.00 0.06 H new ATOM 0 HB3 ASP A 71 1.994 15.269 3.025 1.00 0.06 H new ATOM 1166 N SER A 72 1.054 16.402 6.763 1.00 -0.73 N ATOM 1167 CA SER A 72 0.791 16.134 8.171 1.00 0.36 C ATOM 1168 C SER A 72 2.118 15.841 8.898 1.00 0.57 C ATOM 1169 O SER A 72 2.312 16.387 9.984 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.184 14.953 8.354 1.00 0.28 C ATOM 1171 OG SER A 72 -1.379 15.362 8.995 1.00 -0.68 O ATOM 0 H SER A 72 2.049 16.553 6.600 1.00 -0.73 H new ATOM 0 HA SER A 72 0.322 17.019 8.602 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.421 14.521 7.382 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.296 14.171 8.942 1.00 0.28 H new ATOM 0 HG SER A 72 -1.977 14.592 9.095 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.043 15.042 8.322 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.257 14.585 9.008 1.00 0.36 C ATOM 1179 C TYR A 73 5.456 14.537 8.038 1.00 0.57 C ATOM 1180 O TYR A 73 5.414 13.795 7.058 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.038 13.189 9.619 1.00 0.14 C ATOM 1182 CG TYR A 73 2.878 13.089 10.594 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.969 13.686 11.867 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.693 12.435 10.212 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.867 13.666 12.742 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.585 12.409 11.080 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.662 13.041 12.342 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.431 13.046 13.159 1.00 -0.53 O ATOM 0 H TYR A 73 2.962 14.699 7.365 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.476 15.297 9.803 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.875 12.477 8.810 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.951 12.886 10.132 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.889 14.161 12.173 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.633 11.951 9.249 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.941 14.126 13.716 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.323 11.906 10.782 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.169 12.572 12.722 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.561 15.259 8.299 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.741 15.203 7.442 1.00 0.36 C ATOM 1200 C PRO A 74 8.480 13.861 7.585 1.00 0.57 C ATOM 1201 O PRO A 74 8.628 13.343 8.695 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.606 16.392 7.865 1.00 0.00 C ATOM 1203 CG PRO A 74 8.198 16.689 9.309 1.00 0.00 C ATOM 1204 CD PRO A 74 6.770 16.155 9.428 1.00 0.30 C ATOM 0 HA PRO A 74 7.479 15.266 6.386 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.667 16.151 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.433 17.254 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.865 16.198 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.240 17.758 9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.632 15.627 10.371 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.049 16.972 9.412 1.00 0.30 H new ATOM 1212 N PHE A 75 8.966 13.331 6.452 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.874 12.185 6.401 1.00 0.36 C ATOM 1214 C PHE A 75 11.285 12.555 6.874 1.00 0.57 C ATOM 1215 O PHE A 75 11.606 13.724 7.088 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.978 11.634 4.967 1.00 0.14 C ATOM 1217 CG PHE A 75 8.775 10.892 4.445 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.324 9.744 5.122 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.158 11.299 3.246 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.214 9.041 4.638 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.044 10.596 2.765 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.566 9.483 3.475 1.00 -0.15 C ATOM 0 H PHE A 75 8.731 13.698 5.530 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.458 11.429 7.067 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.183 12.467 4.295 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.838 10.966 4.919 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.833 9.406 6.013 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.541 12.148 2.700 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 6.859 8.163 5.157 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.556 10.909 1.854 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.689 8.961 3.122 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.128 11.523 6.984 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.528 11.575 7.383 1.00 0.36 C ATOM 1234 C ASP A 76 14.478 11.719 6.177 1.00 0.57 C ATOM 1235 O ASP A 76 15.537 12.321 6.366 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.844 10.236 8.085 1.00 0.06 C ATOM 1237 CG ASP A 76 13.507 9.057 7.174 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.327 8.759 7.093 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.482 8.498 6.463 1.00 -0.65 O ATOM 0 H ASP A 76 11.826 10.570 6.782 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.678 12.441 8.027 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.899 10.202 8.357 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.274 10.161 9.011 1.00 0.06 H new ATOM 1245 N GLY A 77 14.165 11.183 4.985 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.113 11.149 3.867 1.00 0.36 C ATOM 1247 C GLY A 77 15.687 9.738 3.657 1.00 0.57 C ATOM 1248 O GLY A 77 14.909 8.798 3.579 1.00 -0.57 O ATOM 0 H GLY A 77 13.258 10.767 4.774 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.614 11.479 2.956 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.926 11.849 4.057 1.00 0.36 H new ATOM 1252 N PRO A 78 17.005 9.533 3.500 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.600 8.207 3.322 1.00 0.36 C ATOM 1254 C PRO A 78 17.793 7.468 4.668 1.00 0.57 C ATOM 1255 O PRO A 78 18.724 7.768 5.418 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.910 8.471 2.572 1.00 0.00 C ATOM 1257 CG PRO A 78 19.315 9.889 2.984 1.00 0.00 C ATOM 1258 CD PRO A 78 18.004 10.578 3.357 1.00 0.30 C ATOM 0 HA PRO A 78 16.956 7.532 2.758 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.676 7.745 2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.771 8.397 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.007 9.874 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.817 10.409 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.113 11.138 4.286 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.710 11.291 2.587 1.00 0.30 H new ATOM 1266 N GLY A 79 16.931 6.489 4.974 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.978 5.619 6.149 1.00 0.36 C ATOM 1268 C GLY A 79 15.573 5.364 6.715 1.00 0.57 C ATOM 1269 O GLY A 79 14.574 5.711 6.099 1.00 -0.57 O ATOM 0 H GLY A 79 16.137 6.273 4.371 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.442 4.670 5.882 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.604 6.075 6.916 1.00 0.36 H new ATOM 1273 N ASN A 80 15.477 4.812 7.928 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.244 4.802 8.732 1.00 0.36 C ATOM 1275 C ASN A 80 12.988 4.328 7.960 1.00 0.57 C ATOM 1276 O ASN A 80 13.061 3.346 7.214 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.113 6.188 9.400 1.00 0.06 C ATOM 1278 CG ASN A 80 13.466 6.079 10.771 1.00 0.57 C ATOM 1279 OD1 ASN A 80 12.250 6.037 10.898 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 14.277 5.988 11.815 1.00 -0.80 N ATOM 0 H ASN A 80 16.262 4.352 8.389 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.318 4.042 9.510 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.099 6.643 9.495 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.518 6.845 8.766 1.00 0.06 H new ATOM 0 HD21 ASN A 80 13.891 5.880 12.753 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 15.287 6.026 11.681 1.00 -0.80 H new ATOM 1287 N THR A 81 11.835 4.967 8.192 1.00 -0.73 N ATOM 1288 CA THR A 81 10.615 4.897 7.394 1.00 0.36 C ATOM 1289 C THR A 81 10.925 5.165 5.907 1.00 0.57 C ATOM 1290 O THR A 81 11.662 6.085 5.580 1.00 -0.57 O ATOM 1291 CB THR A 81 9.656 5.952 7.994 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.378 5.604 9.340 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.302 6.141 7.301 1.00 0.00 C ATOM 0 H THR A 81 11.727 5.586 8.996 1.00 -0.73 H new ATOM 0 HA THR A 81 10.159 3.908 7.426 1.00 0.36 H new ATOM 0 HB THR A 81 10.193 6.892 7.866 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.772 6.267 9.731 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.730 6.908 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.462 6.448 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.750 5.202 7.319 1.00 0.00 H new ATOM 1301 N LEU A 82 10.334 4.389 4.991 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.510 4.496 3.540 1.00 0.36 C ATOM 1303 C LEU A 82 9.293 5.168 2.877 1.00 0.57 C ATOM 1304 O LEU A 82 9.441 5.850 1.859 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.744 3.082 2.953 1.00 0.00 C ATOM 1306 CG LEU A 82 12.026 2.375 3.452 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.121 0.918 2.987 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.274 3.104 2.962 1.00 0.00 C ATOM 0 H LEU A 82 9.694 3.639 5.252 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.377 5.124 3.334 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.884 2.457 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.788 3.158 1.867 1.00 0.00 H new ATOM 0 HG LEU A 82 11.968 2.393 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.041 0.474 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.265 0.359 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.125 0.883 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.163 2.588 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.283 3.118 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.269 4.127 3.338 1.00 0.00 H new ATOM 1320 N ALA A 83 8.094 4.994 3.452 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.841 5.548 2.958 1.00 0.36 C ATOM 1322 C ALA A 83 5.806 5.533 4.093 1.00 0.57 C ATOM 1323 O ALA A 83 6.031 4.874 5.109 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.381 4.716 1.749 1.00 0.00 C ATOM 0 H ALA A 83 7.974 4.444 4.302 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.966 6.581 2.634 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.443 5.118 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.140 4.759 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.234 3.680 2.055 1.00 0.00 H new ATOM 1330 N HIS A 84 4.690 6.255 3.950 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.576 6.200 4.895 1.00 0.36 C ATOM 1332 C HIS A 84 2.232 6.375 4.186 1.00 0.57 C ATOM 1333 O HIS A 84 2.161 6.964 3.107 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.759 7.226 6.034 1.00 0.17 C ATOM 1335 CG HIS A 84 3.872 8.700 5.684 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.451 9.650 6.495 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.402 9.376 4.584 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.376 10.838 5.870 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.743 10.720 4.695 1.00 -0.70 N ATOM 0 H HIS A 84 4.536 6.896 3.172 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.574 5.208 5.347 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.917 7.113 6.717 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.657 6.949 6.586 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.865 9.482 7.412 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 2.855 8.934 3.764 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.773 11.763 6.262 1.00 0.65 H new ATOM 1348 N ALA A 85 1.149 5.931 4.835 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.201 6.030 4.303 1.00 0.36 C ATOM 1350 C ALA A 85 -1.185 6.327 5.429 1.00 0.57 C ATOM 1351 O ALA A 85 -1.002 5.875 6.570 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.575 4.723 3.597 1.00 0.00 C ATOM 0 H ALA A 85 1.194 5.489 5.753 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.244 6.845 3.581 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.587 4.801 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.122 4.538 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.527 3.899 4.308 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.230 7.084 5.081 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.242 7.551 6.017 1.00 0.36 C ATOM 1360 C PHE A 86 -4.470 6.639 5.936 1.00 0.57 C ATOM 1361 O PHE A 86 -4.767 6.073 4.881 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.599 9.015 5.700 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.408 9.903 5.359 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.371 10.129 6.286 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.305 10.450 4.070 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.248 10.892 5.913 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.187 11.211 3.695 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.155 11.432 4.619 1.00 -0.15 C ATOM 0 H PHE A 86 -2.394 7.392 4.122 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.860 7.512 7.037 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.298 9.031 4.864 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.119 9.442 6.558 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.438 9.717 7.282 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.098 10.283 3.356 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.546 11.063 6.625 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.122 11.625 2.699 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.709 12.016 4.337 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.208 6.508 7.046 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.448 5.736 7.088 1.00 0.36 C ATOM 1380 C ALA A 87 -7.493 6.352 6.140 1.00 0.57 C ATOM 1381 O ALA A 87 -7.468 7.568 5.947 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.973 5.716 8.529 1.00 0.00 C ATOM 0 H ALA A 87 -4.959 6.936 7.938 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.256 4.715 6.759 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.899 5.142 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.230 5.255 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.164 6.737 8.861 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.417 5.565 5.557 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.462 6.101 4.695 1.00 0.36 C ATOM 1390 C PRO A 88 -10.481 6.924 5.492 1.00 0.57 C ATOM 1391 O PRO A 88 -10.574 6.816 6.716 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.090 4.887 4.015 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.869 3.753 5.003 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.556 4.122 5.698 1.00 0.30 C ATOM 0 HA PRO A 88 -9.064 6.796 3.956 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.151 5.044 3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.616 4.678 3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.691 3.678 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.797 2.790 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.577 3.833 6.749 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.714 3.603 5.241 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.253 7.744 4.772 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.287 8.591 5.340 1.00 0.36 C ATOM 1404 C GLY A 89 -12.780 9.563 4.277 1.00 0.57 C ATOM 1405 O GLY A 89 -13.657 9.208 3.488 1.00 -0.57 O ATOM 0 H GLY A 89 -11.169 7.834 3.759 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.114 7.981 5.703 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.895 9.139 6.197 1.00 0.36 H new ATOM 1409 N THR A 90 -12.202 10.769 4.222 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.574 11.775 3.228 1.00 0.36 C ATOM 1411 C THR A 90 -11.456 12.826 3.093 1.00 0.57 C ATOM 1412 O THR A 90 -11.044 13.459 4.074 1.00 -0.57 O ATOM 1413 CB THR A 90 -13.960 12.369 3.573 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.386 13.201 2.515 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.039 13.149 4.893 1.00 0.00 C ATOM 0 H THR A 90 -11.468 11.071 4.863 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.676 11.318 2.244 1.00 0.36 H new ATOM 0 HB THR A 90 -14.615 11.508 3.709 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.265 13.578 2.729 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.054 13.521 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.774 12.491 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.346 13.989 4.861 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.939 12.999 1.870 1.00 -0.73 N ATOM 1424 CA GLY A 91 -9.875 13.951 1.571 1.00 0.36 C ATOM 1425 C GLY A 91 -8.521 13.261 1.627 1.00 0.57 C ATOM 1426 O GLY A 91 -8.341 12.276 0.913 1.00 -0.57 O ATOM 0 H GLY A 91 -11.255 12.473 1.055 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.031 14.383 0.582 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -9.902 14.774 2.286 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.596 13.760 2.463 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.255 13.194 2.664 1.00 0.36 C ATOM 1432 C LEU A 92 -6.301 11.714 3.086 1.00 0.57 C ATOM 1433 O LEU A 92 -5.345 10.975 2.862 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.484 14.039 3.698 1.00 0.00 C ATOM 1435 CG LEU A 92 -3.991 13.642 3.871 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.039 14.670 3.250 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.655 13.444 5.354 1.00 0.00 C ATOM 0 H LEU A 92 -7.766 14.590 3.032 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.732 13.227 1.708 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.536 15.087 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.984 13.954 4.663 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.849 12.701 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.008 14.347 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.243 14.757 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.188 15.638 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.606 13.166 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.839 14.372 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.281 12.653 5.766 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.402 11.251 3.691 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.555 9.844 4.030 1.00 0.36 C ATOM 1451 C GLY A 93 -7.251 8.942 2.830 1.00 0.57 C ATOM 1452 O GLY A 93 -7.537 9.300 1.683 1.00 -0.57 O ATOM 0 H GLY A 93 -8.196 11.836 3.953 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.887 9.592 4.854 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.572 9.660 4.376 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.626 7.796 3.112 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.164 6.827 2.133 1.00 0.36 C ATOM 1458 C GLY A 94 -4.878 7.229 1.416 1.00 0.57 C ATOM 1459 O GLY A 94 -4.204 6.346 0.882 1.00 -0.57 O ATOM 0 H GLY A 94 -6.423 7.513 4.071 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.006 5.871 2.631 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.948 6.674 1.391 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.513 8.513 1.368 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.392 8.942 0.533 1.00 0.36 C ATOM 1465 C ASP A 95 -2.093 8.425 1.153 1.00 0.57 C ATOM 1466 O ASP A 95 -2.049 8.058 2.332 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.456 10.471 0.339 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.783 10.833 -0.335 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.261 10.048 -1.138 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.460 11.939 -0.038 1.00 -0.65 O ATOM 0 H ASP A 95 -4.970 9.262 1.889 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.441 8.518 -0.470 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.372 10.976 1.301 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.619 10.808 -0.272 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.043 8.350 0.334 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.202 7.720 0.732 1.00 0.36 C ATOM 1478 C ALA A 96 1.360 8.455 0.089 1.00 0.57 C ATOM 1479 O ALA A 96 1.279 8.861 -1.075 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.196 6.236 0.341 1.00 0.00 C ATOM 0 H ALA A 96 -1.038 8.723 -0.615 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.313 7.774 1.815 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.136 5.776 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.633 5.732 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.080 6.145 -0.739 1.00 0.00 H new ATOM 1486 N HIS A 97 2.449 8.608 0.840 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.624 9.324 0.376 1.00 0.36 C ATOM 1488 C HIS A 97 4.865 8.488 0.627 1.00 0.57 C ATOM 1489 O HIS A 97 4.842 7.583 1.458 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.739 10.729 0.986 1.00 0.17 C ATOM 1491 CG HIS A 97 2.507 11.594 0.881 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.038 12.406 1.894 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.678 11.728 -0.199 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.923 13.008 1.430 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.679 12.600 0.171 1.00 -0.70 N ATOM 0 H HIS A 97 2.536 8.237 1.786 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.522 9.481 -0.698 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.999 10.627 2.040 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.566 11.248 0.502 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.786 11.243 -1.158 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.318 13.710 1.985 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.110 12.887 -0.409 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.936 8.778 -0.115 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.131 7.948 -0.176 1.00 0.36 C ATOM 1506 C PHE A 98 8.346 8.883 -0.273 1.00 0.57 C ATOM 1507 O PHE A 98 8.243 9.957 -0.880 1.00 -0.57 O ATOM 1508 CB PHE A 98 7.072 6.980 -1.385 1.00 0.14 C ATOM 1509 CG PHE A 98 5.827 6.096 -1.567 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.534 6.641 -1.751 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.963 4.693 -1.595 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.399 5.818 -1.830 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.831 3.864 -1.729 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.547 4.423 -1.819 1.00 -0.15 C ATOM 0 H PHE A 98 5.994 9.612 -0.699 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.207 7.330 0.718 1.00 0.36 H new ATOM 0 HB2 PHE A 98 7.189 7.576 -2.290 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.938 6.321 -1.323 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.418 7.712 -1.832 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.944 4.249 -1.513 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.415 6.258 -1.899 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.953 2.791 -1.763 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.679 3.784 -1.879 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.476 8.479 0.313 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.744 9.207 0.209 1.00 0.36 C ATOM 1526 C ASP A 99 11.336 8.974 -1.189 1.00 0.57 C ATOM 1527 O ASP A 99 11.988 7.961 -1.427 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.745 8.734 1.291 1.00 0.06 C ATOM 1529 CG ASP A 99 11.787 9.569 2.577 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.041 8.978 3.613 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.623 10.884 2.464 1.00 -0.65 O ATOM 0 H ASP A 99 9.538 7.631 0.877 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.558 10.270 0.365 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.503 7.705 1.557 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.744 8.724 0.855 1.00 0.06 H new ATOM 1537 N GLU A 100 11.155 9.899 -2.134 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.772 9.842 -3.470 1.00 0.36 C ATOM 1539 C GLU A 100 13.309 9.933 -3.397 1.00 0.57 C ATOM 1540 O GLU A 100 13.994 9.592 -4.355 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.208 10.973 -4.352 1.00 0.00 C ATOM 1542 CG GLU A 100 11.348 10.725 -5.875 1.00 0.06 C ATOM 1543 CD GLU A 100 12.231 11.734 -6.634 1.00 0.66 C ATOM 1544 OE1 GLU A 100 12.783 11.341 -7.649 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.259 12.993 -6.205 1.00 -0.65 O ATOM 0 H GLU A 100 10.568 10.722 -1.995 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.526 8.877 -3.913 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.153 11.112 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.717 11.903 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.756 9.726 -6.026 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.353 10.733 -6.320 1.00 0.06 H new ATOM 1553 N ASP A 101 13.838 10.387 -2.255 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.265 10.418 -1.931 1.00 0.36 C ATOM 1555 C ASP A 101 15.840 8.995 -1.843 1.00 0.57 C ATOM 1556 O ASP A 101 16.994 8.758 -2.206 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.405 11.149 -0.577 1.00 0.06 C ATOM 1558 CG ASP A 101 16.789 11.713 -0.238 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.826 12.476 0.714 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.825 11.420 -1.019 1.00 -0.65 O ATOM 0 H ASP A 101 13.258 10.757 -1.502 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.823 10.936 -2.710 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.689 11.971 -0.559 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.117 10.457 0.214 1.00 0.06 H new ATOM 1566 N GLU A 102 15.024 8.042 -1.375 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.436 6.658 -1.187 1.00 0.36 C ATOM 1568 C GLU A 102 15.490 5.948 -2.533 1.00 0.57 C ATOM 1569 O GLU A 102 14.834 6.343 -3.499 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.470 5.935 -0.240 1.00 0.00 C ATOM 1571 CG GLU A 102 14.526 6.547 1.164 1.00 0.06 C ATOM 1572 CD GLU A 102 15.230 5.703 2.215 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.830 5.883 3.353 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.244 4.910 1.879 1.00 -0.65 O ATOM 0 H GLU A 102 14.053 8.218 -1.116 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.430 6.644 -0.739 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.454 6.000 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.725 4.876 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.028 7.512 1.101 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.507 6.739 1.499 1.00 0.06 H new ATOM 1582 N ARG A 103 16.272 4.871 -2.600 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.378 4.105 -3.829 1.00 0.36 C ATOM 1584 C ARG A 103 15.140 3.230 -3.985 1.00 0.57 C ATOM 1585 O ARG A 103 14.760 2.531 -3.045 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.652 3.257 -3.811 1.00 0.00 C ATOM 1587 CG ARG A 103 18.029 2.840 -5.243 1.00 0.00 C ATOM 1588 CD ARG A 103 19.406 3.369 -5.663 1.00 0.33 C ATOM 1589 NE ARG A 103 20.349 2.270 -5.903 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.413 2.339 -6.703 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.774 3.505 -7.233 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.109 1.233 -6.964 1.00 -0.97 N ATOM 0 H ARG A 103 16.833 4.517 -1.825 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.438 4.782 -4.681 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.468 3.822 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.500 2.371 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.023 1.752 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.274 3.209 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.307 3.970 -6.567 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.799 4.025 -4.886 1.00 0.33 H new ATOM 0 HE ARG A 103 20.177 1.387 -5.422 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.236 4.347 -7.027 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.588 3.557 -7.845 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.826 0.343 -6.553 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.925 1.276 -7.575 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.577 3.188 -5.189 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.384 2.420 -5.507 1.00 0.36 C ATOM 1608 C TRP A 104 13.694 1.538 -6.713 1.00 0.57 C ATOM 1609 O TRP A 104 14.547 1.906 -7.515 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.246 3.403 -5.793 1.00 0.18 C ATOM 1611 CG TRP A 104 11.824 4.221 -4.608 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 12.097 5.533 -4.426 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 11.115 3.799 -3.394 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.624 5.941 -3.201 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.985 4.928 -2.532 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.568 2.585 -2.922 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.350 4.867 -1.285 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.885 2.523 -1.692 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.778 3.658 -0.871 1.00 -0.15 C ATOM 0 H TRP A 104 14.949 3.701 -5.988 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.079 1.776 -4.682 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.555 4.076 -6.593 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.384 2.846 -6.161 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.609 6.165 -5.136 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.735 6.886 -2.833 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.676 1.689 -3.515 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.302 5.740 -0.652 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.438 1.592 -1.376 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.258 3.598 0.074 1.00 -0.15 H new ATOM 1630 N THR A 105 13.034 0.386 -6.854 1.00 -0.73 N ATOM 1631 CA THR A 105 13.265 -0.533 -7.967 1.00 0.36 C ATOM 1632 C THR A 105 12.012 -1.378 -8.233 1.00 0.57 C ATOM 1633 O THR A 105 11.086 -1.393 -7.417 1.00 -0.57 O ATOM 1634 CB THR A 105 14.516 -1.381 -7.671 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.963 -2.029 -8.838 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.284 -2.447 -6.597 1.00 0.00 C ATOM 0 H THR A 105 12.323 0.065 -6.197 1.00 -0.73 H new ATOM 0 HA THR A 105 13.456 0.023 -8.885 1.00 0.36 H new ATOM 0 HB THR A 105 15.264 -0.680 -7.301 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.759 -2.562 -8.632 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.204 -3.008 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.986 -1.966 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.497 -3.127 -6.923 1.00 0.00 H new ATOM 1644 N ASP A 106 11.981 -2.084 -9.368 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.905 -3.002 -9.741 1.00 0.36 C ATOM 1646 C ASP A 106 11.021 -4.353 -9.027 1.00 0.57 C ATOM 1647 O ASP A 106 9.997 -4.953 -8.700 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.901 -3.216 -11.267 1.00 0.06 C ATOM 1649 CG ASP A 106 12.162 -3.910 -11.816 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.005 -4.893 -12.522 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 13.344 -3.372 -11.531 1.00 -0.65 O ATOM 0 H ASP A 106 12.721 -2.030 -10.068 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.966 -2.546 -9.428 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.028 -3.810 -11.536 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.791 -2.249 -11.757 1.00 0.06 H new ATOM 1657 N GLY A 107 12.253 -4.804 -8.742 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.512 -6.017 -7.972 1.00 0.36 C ATOM 1659 C GLY A 107 13.408 -7.001 -8.713 1.00 0.57 C ATOM 1660 O GLY A 107 12.904 -7.911 -9.376 1.00 -0.57 O ATOM 0 H GLY A 107 13.102 -4.327 -9.046 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.979 -5.749 -7.024 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.565 -6.501 -7.735 1.00 0.36 H new ATOM 1664 N SER A 108 14.729 -6.852 -8.555 1.00 -0.73 N ATOM 1665 CA SER A 108 15.706 -7.743 -9.180 1.00 0.36 C ATOM 1666 C SER A 108 16.599 -8.453 -8.158 1.00 0.57 C ATOM 1667 O SER A 108 16.824 -9.652 -8.308 1.00 -0.57 O ATOM 1668 CB SER A 108 16.548 -6.954 -10.191 1.00 0.28 C ATOM 1669 OG SER A 108 15.791 -6.704 -11.361 1.00 -0.68 O ATOM 0 H SER A 108 15.147 -6.112 -7.991 1.00 -0.73 H new ATOM 0 HA SER A 108 15.154 -8.528 -9.698 1.00 0.36 H new ATOM 0 HB2 SER A 108 16.873 -6.012 -9.750 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.448 -7.515 -10.443 1.00 0.28 H new ATOM 0 HG SER A 108 16.335 -6.199 -12.001 1.00 -0.68 H new ATOM 1675 N SER A 109 17.089 -7.758 -7.123 1.00 -0.73 N ATOM 1676 CA SER A 109 18.001 -8.348 -6.137 1.00 0.36 C ATOM 1677 C SER A 109 18.250 -7.408 -4.957 1.00 0.57 C ATOM 1678 O SER A 109 18.217 -7.848 -3.812 1.00 -0.57 O ATOM 1679 CB SER A 109 19.345 -8.714 -6.800 1.00 0.28 C ATOM 1680 OG SER A 109 19.768 -7.731 -7.729 1.00 -0.68 O ATOM 0 H SER A 109 16.866 -6.778 -6.947 1.00 -0.73 H new ATOM 0 HA SER A 109 17.524 -9.250 -5.755 1.00 0.36 H new ATOM 0 HB2 SER A 109 20.107 -8.836 -6.030 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.249 -9.674 -7.308 1.00 0.28 H new ATOM 0 HG SER A 109 20.623 -8.001 -8.124 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.462 -6.117 -5.233 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.731 -5.076 -4.244 1.00 0.36 C ATOM 1688 C LEU A 110 17.919 -3.828 -4.590 1.00 0.57 C ATOM 1689 O LEU A 110 17.400 -3.721 -5.700 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.245 -4.787 -4.192 1.00 0.00 C ATOM 1691 CG LEU A 110 20.835 -4.205 -5.505 1.00 0.00 C ATOM 1692 CD1 LEU A 110 20.922 -2.671 -5.490 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.234 -4.779 -5.756 1.00 0.00 C ATOM 0 H LEU A 110 18.450 -5.758 -6.188 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.427 -5.408 -3.251 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.441 -4.088 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.770 -5.711 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 110 20.153 -4.493 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.342 -2.321 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.925 -2.251 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.561 -2.351 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.637 -4.364 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.889 -4.518 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.172 -5.864 -5.843 1.00 0.00 H new ATOM 1705 N GLY A 111 17.827 -2.895 -3.638 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.945 -1.734 -3.714 1.00 0.36 C ATOM 1707 C GLY A 111 15.631 -2.002 -2.970 1.00 0.57 C ATOM 1708 O GLY A 111 15.438 -3.087 -2.410 1.00 -0.57 O ATOM 0 H GLY A 111 18.375 -2.929 -2.778 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.442 -0.865 -3.283 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.736 -1.497 -4.757 1.00 0.36 H new ATOM 1712 N ILE A 112 14.737 -1.006 -2.947 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.427 -1.120 -2.310 1.00 0.36 C ATOM 1714 C ILE A 112 12.378 -1.302 -3.408 1.00 0.57 C ATOM 1715 O ILE A 112 12.210 -0.444 -4.275 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.131 0.108 -1.423 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.234 0.394 -0.374 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.765 -0.046 -0.737 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.607 -0.782 0.544 1.00 0.00 C ATOM 0 H ILE A 112 14.907 -0.095 -3.373 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.405 -1.984 -1.646 1.00 0.36 H new ATOM 0 HB ILE A 112 13.113 0.971 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.132 0.719 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.909 1.227 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.570 0.827 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.986 -0.134 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.769 -0.941 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.388 -0.469 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.728 -1.098 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.970 -1.614 -0.060 1.00 0.00 H new ATOM 1731 N ASN A 113 11.688 -2.443 -3.372 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.715 -2.821 -4.384 1.00 0.36 C ATOM 1733 C ASN A 113 9.445 -1.953 -4.307 1.00 0.57 C ATOM 1734 O ASN A 113 8.753 -1.943 -3.283 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.405 -4.317 -4.245 1.00 0.06 C ATOM 1736 CG ASN A 113 9.551 -4.790 -5.414 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.576 -4.150 -5.790 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.923 -5.891 -6.037 1.00 -0.80 N ATOM 0 H ASN A 113 11.794 -3.134 -2.629 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.137 -2.642 -5.373 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.334 -4.886 -4.210 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.883 -4.502 -3.306 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.397 -6.222 -6.845 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.737 -6.411 -5.710 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.120 -1.270 -5.411 1.00 -0.73 N ATOM 1746 CA PHE A 114 7.971 -0.375 -5.524 1.00 0.36 C ATOM 1747 C PHE A 114 6.622 -1.088 -5.519 1.00 0.57 C ATOM 1748 O PHE A 114 5.675 -0.569 -4.933 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.074 0.454 -6.815 1.00 0.14 C ATOM 1750 CG PHE A 114 7.763 1.910 -6.575 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 8.669 2.663 -5.813 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.589 2.512 -7.063 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 8.441 4.022 -5.569 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.353 3.875 -6.807 1.00 -0.15 C ATOM 1755 CZ PHE A 114 7.286 4.628 -6.073 1.00 -0.15 C ATOM 0 H PHE A 114 9.666 -1.329 -6.271 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.007 0.257 -4.637 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.079 0.361 -7.227 1.00 0.14 H new ATOM 0 HB3 PHE A 114 7.386 0.054 -7.559 1.00 0.14 H new ATOM 0 HD1 PHE A 114 9.552 2.189 -5.410 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 5.875 1.933 -7.629 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 9.152 4.598 -4.996 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 5.453 4.344 -7.175 1.00 -0.15 H new ATOM 0 HZ PHE A 114 7.110 5.679 -5.898 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.519 -2.260 -6.159 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.288 -3.050 -6.178 1.00 0.36 C ATOM 1767 C LEU A 115 4.934 -3.442 -4.740 1.00 0.57 C ATOM 1768 O LEU A 115 3.773 -3.402 -4.342 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.517 -4.291 -7.071 1.00 0.00 C ATOM 1770 CG LEU A 115 4.318 -5.258 -7.173 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.482 -4.921 -8.401 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.770 -6.717 -7.296 1.00 0.00 C ATOM 0 H LEU A 115 7.288 -2.684 -6.677 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.455 -2.480 -6.589 1.00 0.36 H new ATOM 0 HB2 LEU A 115 5.777 -3.954 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.376 -4.842 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 115 3.736 -5.142 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.638 -5.608 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.113 -3.899 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.096 -5.015 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.896 -7.364 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.380 -6.835 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.356 -6.992 -6.419 1.00 0.00 H new ATOM 1784 N TYR A 116 5.956 -3.789 -3.955 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.798 -4.307 -2.607 1.00 0.36 C ATOM 1786 C TYR A 116 5.442 -3.148 -1.682 1.00 0.57 C ATOM 1787 O TYR A 116 4.543 -3.279 -0.848 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.090 -5.011 -2.160 1.00 0.14 C ATOM 1789 CG TYR A 116 7.438 -6.329 -2.852 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.257 -6.521 -4.238 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.982 -7.387 -2.099 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.620 -7.713 -4.873 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 8.357 -8.588 -2.730 1.00 -0.15 C ATOM 1794 CZ TYR A 116 8.184 -8.749 -4.119 1.00 0.08 C ATOM 1795 OH TYR A 116 8.468 -9.915 -4.745 1.00 -0.53 O ATOM 0 H TYR A 116 6.930 -3.714 -4.249 1.00 -0.73 H new ATOM 0 HA TYR A 116 4.997 -5.045 -2.573 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.921 -4.321 -2.309 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.020 -5.199 -1.089 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.826 -5.724 -4.826 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.112 -7.277 -1.033 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.467 -7.833 -5.935 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.780 -9.392 -2.146 1.00 -0.15 H new ATOM 0 HH TYR A 116 8.979 -9.732 -5.561 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.107 -1.999 -1.873 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.786 -0.780 -1.155 1.00 0.36 C ATOM 1807 C ALA A 117 4.365 -0.346 -1.451 1.00 0.57 C ATOM 1808 O ALA A 117 3.610 -0.099 -0.514 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.804 0.313 -1.499 1.00 0.00 C ATOM 0 H ALA A 117 6.880 -1.900 -2.531 1.00 -0.73 H new ATOM 0 HA ALA A 117 5.848 -0.967 -0.083 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.556 1.225 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.803 -0.018 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.778 0.510 -2.571 1.00 0.00 H new ATOM 1815 N ALA A 118 3.978 -0.330 -2.727 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.620 -0.019 -3.111 1.00 0.36 C ATOM 1817 C ALA A 118 1.654 -0.988 -2.428 1.00 0.57 C ATOM 1818 O ALA A 118 0.809 -0.520 -1.682 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.486 -0.012 -4.634 1.00 0.00 C ATOM 0 H ALA A 118 4.599 -0.532 -3.510 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.358 0.984 -2.774 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.458 0.224 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.155 0.739 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.750 -0.994 -5.027 1.00 0.00 H new ATOM 1825 N THR A 119 1.797 -2.310 -2.579 1.00 -0.73 N ATOM 1826 CA THR A 119 0.900 -3.274 -1.931 1.00 0.36 C ATOM 1827 C THR A 119 0.803 -3.053 -0.417 1.00 0.57 C ATOM 1828 O THR A 119 -0.310 -3.105 0.111 1.00 -0.57 O ATOM 1829 CB THR A 119 1.374 -4.694 -2.269 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.194 -4.891 -3.654 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.648 -5.843 -1.556 1.00 0.00 C ATOM 0 H THR A 119 2.529 -2.738 -3.147 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.110 -3.128 -2.315 1.00 0.36 H new ATOM 0 HB THR A 119 2.409 -4.736 -1.931 1.00 0.28 H new ATOM 0 HG1 THR A 119 1.937 -4.479 -4.142 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.071 -6.795 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.769 -5.736 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.412 -5.815 -1.807 1.00 0.00 H new ATOM 1839 N HIS A 120 1.921 -2.780 0.272 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.907 -2.486 1.705 1.00 0.36 C ATOM 1841 C HIS A 120 1.082 -1.214 1.976 1.00 0.57 C ATOM 1842 O HIS A 120 0.152 -1.227 2.782 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.365 -2.393 2.219 1.00 0.17 C ATOM 1844 CG HIS A 120 3.490 -2.157 3.709 1.00 0.18 C ATOM 1845 ND1 HIS A 120 3.934 -3.048 4.680 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.102 -1.017 4.356 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.772 -2.459 5.881 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.248 -1.234 5.710 1.00 -0.70 N ATOM 0 H HIS A 120 2.850 -2.758 -0.148 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.420 -3.289 2.258 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.886 -3.316 1.965 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.872 -1.585 1.692 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.314 -3.980 4.513 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.745 -0.110 3.891 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.024 -2.903 6.833 1.00 0.65 H new ATOM 1857 N GLU A 121 1.415 -0.109 1.309 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.839 1.213 1.562 1.00 0.36 C ATOM 1859 C GLU A 121 -0.638 1.271 1.153 1.00 0.57 C ATOM 1860 O GLU A 121 -1.492 1.730 1.915 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.666 2.231 0.765 1.00 0.00 C ATOM 1862 CG GLU A 121 3.119 2.318 1.269 1.00 0.06 C ATOM 1863 CD GLU A 121 3.227 3.217 2.482 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.306 2.685 3.577 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.218 4.525 2.241 1.00 -0.65 O ATOM 0 H GLU A 121 2.108 -0.107 0.561 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.873 1.437 2.628 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.664 1.953 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.198 3.213 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.480 1.320 1.520 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.760 2.698 0.474 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.950 0.751 -0.036 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.299 0.652 -0.578 1.00 0.36 C ATOM 1875 C LEU A 122 -3.161 -0.275 0.271 1.00 0.57 C ATOM 1876 O LEU A 122 -4.361 -0.031 0.388 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.266 0.136 -2.027 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.015 1.201 -3.110 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.223 2.132 -3.201 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.766 2.080 -2.941 1.00 0.00 C ATOM 0 H LEU A 122 -0.242 0.375 -0.667 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.734 1.651 -0.563 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.489 -0.625 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.215 -0.355 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.846 0.614 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.045 2.886 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.110 1.553 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.378 2.622 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.704 2.788 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.830 2.626 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.124 1.451 -2.935 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.561 -1.300 0.889 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.237 -2.127 1.868 1.00 0.36 C ATOM 1894 C GLY A 123 -3.844 -1.268 2.967 1.00 0.57 C ATOM 1895 O GLY A 123 -5.053 -1.324 3.188 1.00 -0.57 O ATOM 0 H GLY A 123 -1.593 -1.571 0.717 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.019 -2.710 1.382 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.532 -2.837 2.301 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.038 -0.397 3.590 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.547 0.530 4.595 1.00 0.36 C ATOM 1901 C HIS A 124 -4.635 1.425 4.028 1.00 0.57 C ATOM 1902 O HIS A 124 -5.693 1.561 4.649 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.429 1.376 5.205 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.471 0.521 5.976 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.781 -0.166 7.118 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.195 0.190 5.623 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.712 -0.907 7.447 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.290 -0.713 6.574 1.00 -0.70 N ATOM 0 H HIS A 124 -2.036 -0.319 3.413 1.00 -0.73 H new ATOM 0 HA HIS A 124 -3.982 -0.077 5.389 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.896 1.905 4.415 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.857 2.133 5.862 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.344 0.559 4.763 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.664 -1.570 8.298 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.217 -1.138 6.600 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.392 1.969 2.832 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.322 2.836 2.134 1.00 0.36 C ATOM 1919 C SER A 125 -6.707 2.195 1.949 1.00 0.57 C ATOM 1920 O SER A 125 -7.730 2.863 2.107 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.710 3.184 0.782 1.00 0.28 C ATOM 1922 OG SER A 125 -5.381 4.301 0.290 1.00 -0.68 O ATOM 0 H SER A 125 -3.525 1.811 2.319 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.484 3.732 2.733 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.645 3.392 0.886 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.805 2.346 0.092 1.00 0.28 H new ATOM 0 HG SER A 125 -4.737 5.019 0.115 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.751 0.889 1.665 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.992 0.129 1.522 1.00 0.36 C ATOM 1930 C LEU A 126 -8.818 0.129 2.828 1.00 0.57 C ATOM 1931 O LEU A 126 -10.043 -0.006 2.784 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.657 -1.322 1.091 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.392 -1.929 -0.118 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.847 -1.480 -0.286 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.626 -1.683 -1.421 1.00 0.00 C ATOM 0 H LEU A 126 -5.913 0.325 1.527 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.602 0.608 0.757 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.588 -1.365 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.841 -1.971 1.948 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.427 -2.996 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.277 -1.962 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.419 -1.761 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.882 -0.398 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.173 -2.125 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.521 -0.610 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.638 -2.138 -1.354 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.158 0.261 3.990 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.780 0.233 5.310 1.00 0.36 C ATOM 1949 C GLY A 127 -8.043 -0.667 6.310 1.00 0.57 C ATOM 1950 O GLY A 127 -8.688 -1.445 7.020 1.00 -0.57 O ATOM 0 H GLY A 127 -7.147 0.394 4.031 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.820 1.248 5.706 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.809 -0.112 5.212 1.00 0.36 H new ATOM 1954 N MET A 128 -6.709 -0.599 6.369 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.905 -1.438 7.263 1.00 0.36 C ATOM 1956 C MET A 128 -4.951 -0.592 8.094 1.00 0.57 C ATOM 1957 O MET A 128 -4.546 0.499 7.699 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.108 -2.502 6.479 1.00 0.00 C ATOM 1959 CG MET A 128 -5.844 -3.835 6.344 1.00 0.23 C ATOM 1960 SD MET A 128 -6.272 -4.344 4.667 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.573 -3.159 4.255 1.00 0.23 C ATOM 0 H MET A 128 -6.156 0.040 5.798 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.599 -1.950 7.930 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.884 -2.117 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 128 -4.154 -2.671 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.226 -4.614 6.791 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.762 -3.780 6.930 1.00 0.23 H new ATOM 0 HE1 MET A 128 -8.125 -3.513 3.385 1.00 0.23 H new ATOM 0 HE2 MET A 128 -8.254 -3.058 5.100 1.00 0.23 H new ATOM 0 HE3 MET A 128 -7.126 -2.191 4.031 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.536 -1.138 9.239 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.725 -0.438 10.226 1.00 0.36 C ATOM 1973 C GLY A 129 -2.449 -1.174 10.649 1.00 0.57 C ATOM 1974 O GLY A 129 -1.643 -0.515 11.301 1.00 -0.57 O ATOM 0 H GLY A 129 -4.760 -2.096 9.507 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.449 0.536 9.823 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.333 -0.256 11.112 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.311 -2.475 10.310 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.192 -3.429 10.488 1.00 0.36 C ATOM 1980 C HIS A 130 -1.698 -4.812 10.950 1.00 0.57 C ATOM 1981 O HIS A 130 -2.891 -4.974 11.231 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.039 -2.913 11.383 1.00 0.17 C ATOM 1983 CG HIS A 130 0.935 -2.022 10.657 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.533 -2.294 9.457 1.00 -0.70 N flip ATOM 1985 CD2 HIS A 130 1.425 -0.808 11.086 1.00 0.20 C flip ATOM 1986 CE1 HIS A 130 2.384 -1.240 9.142 1.00 0.65 C flip ATOM 1987 NE2 HIS A 130 2.293 -0.370 10.161 1.00 -0.70 N flip ATOM 0 H HIS A 130 -3.087 -2.943 9.842 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.749 -3.535 9.498 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.461 -2.365 12.225 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.500 -3.766 11.795 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.159 -0.300 12.001 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.995 -1.141 8.257 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.813 0.505 10.223 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.758 -5.766 11.051 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.906 -7.160 11.476 1.00 0.36 C ATOM 1998 C SER A 131 0.184 -7.488 12.520 1.00 0.57 C ATOM 1999 O SER A 131 0.901 -6.588 12.953 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.790 -8.082 10.254 1.00 0.28 C ATOM 2001 OG SER A 131 -1.756 -7.760 9.276 1.00 -0.68 O ATOM 0 H SER A 131 0.212 -5.558 10.815 1.00 -0.73 H new ATOM 0 HA SER A 131 -1.885 -7.314 11.931 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.208 -7.997 9.825 1.00 0.28 H new ATOM 0 HB3 SER A 131 -0.916 -9.119 10.565 1.00 0.28 H new ATOM 0 HG SER A 131 -2.113 -8.585 8.885 1.00 -0.68 H new ATOM 2007 N SER A 132 0.312 -8.761 12.935 1.00 -0.73 N ATOM 2008 CA SER A 132 1.175 -9.179 14.045 1.00 0.36 C ATOM 2009 C SER A 132 1.707 -10.604 13.797 1.00 0.57 C ATOM 2010 O SER A 132 1.407 -11.529 14.550 1.00 -0.57 O ATOM 2011 CB SER A 132 0.394 -9.043 15.371 1.00 0.28 C ATOM 2012 OG SER A 132 1.260 -8.847 16.474 1.00 -0.68 O ATOM 0 H SER A 132 -0.189 -9.536 12.500 1.00 -0.73 H new ATOM 0 HA SER A 132 2.051 -8.534 14.114 1.00 0.36 H new ATOM 0 HB2 SER A 132 -0.299 -8.205 15.300 1.00 0.28 H new ATOM 0 HB3 SER A 132 -0.205 -9.939 15.534 1.00 0.28 H new ATOM 0 HG SER A 132 0.731 -8.764 17.295 1.00 -0.68 H new ATOM 2018 N ASP A 133 2.462 -10.800 12.705 1.00 -0.73 N ATOM 2019 CA ASP A 133 2.995 -12.105 12.299 1.00 0.36 C ATOM 2020 C ASP A 133 4.477 -11.940 11.924 1.00 0.57 C ATOM 2021 O ASP A 133 4.850 -10.872 11.434 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.178 -12.639 11.103 1.00 0.06 C ATOM 2023 CG ASP A 133 2.107 -14.157 11.005 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.244 -14.656 9.900 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 1.940 -14.864 12.119 1.00 -0.65 O ATOM 0 H ASP A 133 2.722 -10.044 12.072 1.00 -0.73 H new ATOM 0 HA ASP A 133 2.916 -12.822 13.116 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.164 -12.245 11.169 1.00 0.06 H new ATOM 0 HB3 ASP A 133 2.612 -12.249 10.182 1.00 0.06 H new ATOM 2031 N PRO A 134 5.343 -12.957 12.117 1.00 -0.66 N ATOM 2032 CA PRO A 134 6.773 -12.854 11.843 1.00 0.36 C ATOM 2033 C PRO A 134 7.108 -12.989 10.353 1.00 0.57 C ATOM 2034 O PRO A 134 8.271 -12.852 9.997 1.00 -0.57 O ATOM 2035 CB PRO A 134 7.424 -13.981 12.651 1.00 0.00 C ATOM 2036 CG PRO A 134 6.342 -15.054 12.717 1.00 0.00 C ATOM 2037 CD PRO A 134 5.028 -14.284 12.625 1.00 0.30 C ATOM 0 HA PRO A 134 7.143 -11.869 12.126 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.326 -14.352 12.165 1.00 0.00 H new ATOM 0 HB3 PRO A 134 7.714 -13.644 13.646 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.441 -15.767 11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 134 6.404 -15.622 13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.329 -14.794 11.962 1.00 0.30 H new ATOM 0 HD3 PRO A 134 4.551 -14.219 13.603 1.00 0.30 H new ATOM 2045 N ASN A 135 6.125 -13.278 9.489 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.295 -13.383 8.034 1.00 0.36 C ATOM 2047 C ASN A 135 5.180 -12.584 7.338 1.00 0.57 C ATOM 2048 O ASN A 135 4.746 -12.921 6.234 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.356 -14.862 7.605 1.00 0.06 C ATOM 2050 CG ASN A 135 7.495 -15.599 8.304 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.663 -15.357 8.029 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.174 -16.459 9.263 1.00 -0.80 N ATOM 0 H ASN A 135 5.166 -13.449 9.791 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.245 -12.946 7.726 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.409 -15.349 7.837 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.490 -14.924 6.525 1.00 0.06 H new ATOM 0 HD21 ASN A 135 7.908 -16.934 9.789 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.194 -16.645 9.474 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.707 -11.536 8.030 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.768 -10.550 7.533 1.00 0.36 C ATOM 2061 C ALA A 136 4.503 -9.508 6.695 1.00 0.57 C ATOM 2062 O ALA A 136 5.451 -8.894 7.186 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.118 -9.838 8.732 1.00 0.00 C ATOM 0 H ALA A 136 4.989 -11.355 8.994 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.014 -11.046 6.922 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.409 -9.093 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.595 -10.569 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.889 -9.347 9.326 1.00 0.00 H new ATOM 2069 N VAL A 137 4.015 -9.216 5.486 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.465 -8.030 4.750 1.00 0.36 C ATOM 2071 C VAL A 137 3.978 -6.741 5.436 1.00 0.57 C ATOM 2072 O VAL A 137 4.546 -5.664 5.227 1.00 -0.57 O ATOM 2073 CB VAL A 137 4.045 -8.122 3.272 1.00 0.00 C ATOM 2074 CG1 VAL A 137 2.525 -8.042 3.086 1.00 0.00 C ATOM 2075 CG2 VAL A 137 4.750 -7.044 2.435 1.00 0.00 C ATOM 0 H VAL A 137 3.316 -9.777 5.000 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.554 -7.992 4.765 1.00 0.36 H new ATOM 0 HB VAL A 137 4.358 -9.104 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.284 -8.112 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.049 -8.864 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.160 -7.093 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.437 -7.129 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.484 -6.057 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.829 -7.180 2.502 1.00 0.00 H new ATOM 2085 N MET A 138 2.946 -6.841 6.284 1.00 -0.73 N ATOM 2086 CA MET A 138 2.538 -5.760 7.166 1.00 0.36 C ATOM 2087 C MET A 138 3.568 -5.464 8.268 1.00 0.57 C ATOM 2088 O MET A 138 3.460 -4.406 8.879 1.00 -0.57 O ATOM 2089 CB MET A 138 1.165 -6.094 7.763 1.00 0.00 C ATOM 2090 CG MET A 138 0.022 -5.969 6.748 1.00 0.23 C ATOM 2091 SD MET A 138 -0.485 -4.260 6.414 1.00 -0.46 S ATOM 2092 CE MET A 138 0.347 -3.962 4.832 1.00 0.23 C ATOM 0 H MET A 138 2.374 -7.681 6.372 1.00 -0.73 H new ATOM 0 HA MET A 138 2.472 -4.848 6.573 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.184 -7.110 8.157 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.970 -5.430 8.605 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.329 -6.436 5.812 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.839 -6.527 7.115 1.00 0.23 H new ATOM 0 HE1 MET A 138 0.769 -2.957 4.827 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.145 -4.692 4.698 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.373 -4.058 4.019 1.00 0.23 H new ATOM 2102 N TYR A 139 4.556 -6.325 8.545 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.548 -6.053 9.584 1.00 0.36 C ATOM 2104 C TYR A 139 6.313 -4.738 9.280 1.00 0.57 C ATOM 2105 O TYR A 139 6.739 -4.517 8.134 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.471 -7.272 9.723 1.00 0.14 C ATOM 2107 CG TYR A 139 7.586 -7.153 10.746 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.319 -7.281 12.124 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.907 -6.943 10.309 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.367 -7.180 13.061 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.958 -6.849 11.236 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.693 -6.961 12.618 1.00 0.08 C ATOM 2113 OH TYR A 139 10.719 -6.886 13.514 1.00 -0.53 O ATOM 0 H TYR A 139 4.686 -7.214 8.062 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.058 -5.897 10.545 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.860 -8.137 9.981 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.918 -7.476 8.750 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.309 -7.457 12.463 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.114 -6.853 9.253 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.158 -7.270 14.117 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.969 -6.691 10.891 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.561 -6.733 13.036 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.480 -3.838 10.271 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.273 -2.629 10.107 1.00 0.36 C ATOM 2125 C PRO A 140 8.768 -2.961 10.170 1.00 0.57 C ATOM 2126 O PRO A 140 9.164 -3.793 10.983 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.865 -1.715 11.263 1.00 0.00 C ATOM 2128 CG PRO A 140 6.431 -2.671 12.369 1.00 0.00 C ATOM 2129 CD PRO A 140 5.916 -3.898 11.615 1.00 0.30 C ATOM 0 HA PRO A 140 7.100 -2.152 9.142 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.696 -1.087 11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.053 -1.047 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.263 -2.926 13.026 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.654 -2.232 12.995 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.218 -4.816 12.120 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.827 -3.899 11.577 1.00 0.30 H new ATOM 2137 N THR A 141 9.578 -2.250 9.369 1.00 -0.73 N ATOM 2138 CA THR A 141 11.010 -2.487 9.154 1.00 0.36 C ATOM 2139 C THR A 141 11.231 -3.827 8.428 1.00 0.57 C ATOM 2140 O THR A 141 10.905 -4.891 8.948 1.00 -0.57 O ATOM 2141 CB THR A 141 11.799 -2.322 10.476 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.719 -0.966 10.880 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.277 -2.716 10.371 1.00 0.00 C ATOM 0 H THR A 141 9.233 -1.457 8.829 1.00 -0.73 H new ATOM 0 HA THR A 141 11.417 -1.727 8.487 1.00 0.36 H new ATOM 0 HB THR A 141 11.346 -2.998 11.202 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.213 -0.845 11.718 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.761 -2.573 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.355 -3.763 10.078 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.767 -2.093 9.623 1.00 0.00 H new ATOM 2151 N TYR A 142 11.778 -3.789 7.201 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.071 -4.998 6.430 1.00 0.36 C ATOM 2153 C TYR A 142 12.962 -5.962 7.236 1.00 0.57 C ATOM 2154 O TYR A 142 14.113 -5.638 7.553 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.715 -4.655 5.070 1.00 0.14 C ATOM 2156 CG TYR A 142 11.783 -4.573 3.869 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.840 -5.594 3.620 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 11.940 -3.535 2.929 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.038 -5.560 2.466 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 11.169 -3.517 1.752 1.00 -0.15 C ATOM 2161 CZ TYR A 142 10.203 -4.526 1.525 1.00 0.08 C ATOM 2162 OH TYR A 142 9.451 -4.540 0.387 1.00 -0.53 O ATOM 0 H TYR A 142 12.026 -2.923 6.723 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.125 -5.501 6.229 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.227 -3.698 5.169 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.478 -5.404 4.857 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.734 -6.408 4.322 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 12.657 -2.748 3.113 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.296 -6.327 2.301 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 11.314 -2.734 1.023 1.00 -0.15 H new ATOM 0 HH TYR A 142 9.677 -3.761 -0.164 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.402 -7.145 7.525 1.00 -0.73 N ATOM 2173 CA GLY A 143 12.976 -8.186 8.366 1.00 0.36 C ATOM 2174 C GLY A 143 12.860 -9.541 7.667 1.00 0.57 C ATOM 2175 O GLY A 143 13.379 -9.695 6.567 1.00 -0.57 O ATOM 0 H GLY A 143 11.488 -7.408 7.155 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.022 -7.962 8.574 1.00 0.36 H new ATOM 0 HA3 GLY A 143 12.460 -8.216 9.326 1.00 0.36 H new ATOM 2179 N ASN A 144 12.179 -10.512 8.294 1.00 -0.73 N ATOM 2180 CA ASN A 144 11.896 -11.850 7.744 1.00 0.36 C ATOM 2181 C ASN A 144 11.212 -11.826 6.366 1.00 0.57 C ATOM 2182 O ASN A 144 11.305 -12.804 5.628 1.00 -0.57 O ATOM 2183 CB ASN A 144 10.948 -12.587 8.706 1.00 0.06 C ATOM 2184 CG ASN A 144 11.513 -13.746 9.526 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.718 -13.977 9.663 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 10.598 -14.449 10.176 1.00 -0.80 N ATOM 0 H ASN A 144 11.796 -10.385 9.231 1.00 -0.73 H new ATOM 0 HA ASN A 144 12.861 -12.344 7.630 1.00 0.36 H new ATOM 0 HB2 ASN A 144 10.542 -11.853 9.402 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.111 -12.969 8.122 1.00 0.06 H new ATOM 0 HD21 ASN A 144 10.883 -15.199 10.805 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 9.608 -14.240 10.047 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.472 -10.755 6.050 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.875 -10.563 4.737 1.00 0.36 C ATOM 2195 C GLY A 145 10.945 -10.580 3.644 1.00 0.57 C ATOM 2196 O GLY A 145 12.089 -10.184 3.858 1.00 -0.57 O ATOM 0 H GLY A 145 10.274 -9.999 6.706 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.143 -11.348 4.547 1.00 0.36 H new ATOM 0 HA3 GLY A 145 9.339 -9.614 4.712 1.00 0.36 H new ATOM 2200 N ASP A 146 10.548 -10.991 2.443 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.424 -11.124 1.292 1.00 0.36 C ATOM 2202 C ASP A 146 10.911 -10.111 0.258 1.00 0.57 C ATOM 2203 O ASP A 146 9.792 -10.277 -0.231 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.396 -12.600 0.827 1.00 0.06 C ATOM 2205 CG ASP A 146 11.995 -12.854 -0.559 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.608 -12.144 -1.473 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.812 -13.887 -0.743 1.00 -0.65 O ATOM 0 H ASP A 146 9.581 -11.247 2.242 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.472 -10.902 1.491 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.936 -13.205 1.556 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.362 -12.946 0.828 1.00 0.06 H new ATOM 2213 N PRO A 147 11.660 -9.027 -0.036 1.00 -0.66 N ATOM 2214 CA PRO A 147 11.318 -8.064 -1.083 1.00 0.36 C ATOM 2215 C PRO A 147 11.667 -8.497 -2.525 1.00 0.57 C ATOM 2216 O PRO A 147 11.937 -7.647 -3.378 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.953 -6.740 -0.654 1.00 0.00 C ATOM 2218 CG PRO A 147 13.052 -7.089 0.341 1.00 0.00 C ATOM 2219 CD PRO A 147 12.692 -8.485 0.847 1.00 0.30 C ATOM 0 HA PRO A 147 10.235 -7.974 -1.161 1.00 0.36 H new ATOM 0 HB2 PRO A 147 12.362 -6.210 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.211 -6.084 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 147 14.033 -7.081 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.088 -6.369 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.571 -9.130 0.848 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.330 -8.438 1.874 1.00 0.30 H new ATOM 2227 N GLN A 148 11.671 -9.804 -2.819 1.00 -0.73 N ATOM 2228 CA GLN A 148 12.139 -10.382 -4.082 1.00 0.36 C ATOM 2229 C GLN A 148 11.101 -11.348 -4.677 1.00 0.57 C ATOM 2230 O GLN A 148 11.039 -11.494 -5.892 1.00 -0.57 O ATOM 2231 CB GLN A 148 13.462 -11.145 -3.859 1.00 0.00 C ATOM 2232 CG GLN A 148 14.530 -10.409 -3.023 1.00 0.06 C ATOM 2233 CD GLN A 148 15.752 -11.276 -2.718 1.00 0.57 C ATOM 2234 OE1 GLN A 148 15.809 -12.459 -3.057 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 16.778 -10.716 -2.085 1.00 -0.80 N ATOM 0 H GLN A 148 11.337 -10.509 -2.162 1.00 -0.73 H new ATOM 0 HA GLN A 148 12.294 -9.560 -4.781 1.00 0.36 H new ATOM 0 HB2 GLN A 148 13.235 -12.093 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 148 13.891 -11.383 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 148 14.850 -9.515 -3.558 1.00 0.06 H new ATOM 0 HG3 GLN A 148 14.084 -10.077 -2.086 1.00 0.06 H new ATOM 0 HE21 GLN A 148 16.731 -9.737 -1.804 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 17.612 -11.266 -1.880 1.00 -0.80 H new ATOM 2244 N ASN A 149 10.263 -11.992 -3.844 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.212 -12.936 -4.235 1.00 0.36 C ATOM 2246 C ASN A 149 8.131 -12.981 -3.135 1.00 0.57 C ATOM 2247 O ASN A 149 8.252 -13.732 -2.171 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.792 -14.338 -4.567 1.00 0.06 C ATOM 2249 CG ASN A 149 10.661 -14.997 -3.480 1.00 0.57 C ATOM 2250 OD1 ASN A 149 11.833 -14.440 -3.220 1.00 -0.57 O flip ATOM 2251 ND2 ASN A 149 10.325 -16.038 -2.917 1.00 -0.80 N flip ATOM 0 H ASN A 149 10.306 -11.859 -2.834 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.743 -12.590 -5.156 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.961 -15.007 -4.791 1.00 0.06 H new ATOM 0 HB3 ASN A 149 10.388 -14.254 -5.476 1.00 0.06 H new ATOM 0 HD21 ASN A 149 9.420 -16.460 -3.124 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.952 -16.479 -2.244 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.060 -12.181 -3.279 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.916 -12.138 -2.360 1.00 0.36 C ATOM 2260 C PHE A 150 4.617 -12.042 -3.168 1.00 0.57 C ATOM 2261 O PHE A 150 4.675 -11.788 -4.374 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.031 -10.962 -1.362 1.00 0.14 C ATOM 2263 CG PHE A 150 5.258 -9.688 -1.712 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.262 -9.176 -3.025 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.471 -9.045 -0.736 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 4.510 -8.049 -3.365 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.716 -7.909 -1.074 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.750 -7.411 -2.384 1.00 -0.15 C ATOM 0 H PHE A 150 6.967 -11.531 -4.059 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.909 -13.056 -1.772 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.692 -11.309 -0.386 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.085 -10.704 -1.260 1.00 0.14 H new ATOM 0 HD1 PHE A 150 5.858 -9.664 -3.782 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 4.448 -9.426 0.274 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 4.517 -7.675 -4.378 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.110 -7.420 -0.325 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.184 -6.527 -2.636 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.461 -12.218 -2.511 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.133 -12.015 -3.098 1.00 0.36 C ATOM 2280 C LYS A 151 1.033 -12.130 -2.032 1.00 0.57 C ATOM 2281 O LYS A 151 0.136 -12.948 -2.196 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.867 -12.934 -4.321 1.00 0.00 C ATOM 2283 CG LYS A 151 2.162 -14.444 -4.162 1.00 0.00 C ATOM 2284 CD LYS A 151 3.648 -14.797 -4.350 1.00 0.00 C ATOM 2285 CE LYS A 151 3.886 -16.223 -4.852 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.346 -17.141 -3.785 1.00 -0.85 N ATOM 0 H LYS A 151 3.425 -12.512 -1.535 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.110 -10.997 -3.486 1.00 0.36 H new ATOM 0 HB2 LYS A 151 0.819 -12.824 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.461 -12.562 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 151 1.841 -14.767 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.569 -15.001 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.092 -14.095 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.166 -14.665 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 151 2.963 -16.610 -5.284 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.627 -16.202 -5.651 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 4.491 -18.091 -4.183 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.242 -16.792 -3.389 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 3.629 -17.186 -3.033 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.105 -11.309 -0.970 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.148 -11.270 0.149 1.00 0.36 C ATOM 2302 C LEU A 152 0.168 -12.609 0.916 1.00 0.57 C ATOM 2303 O LEU A 152 -0.433 -13.587 0.487 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.270 -10.842 -0.313 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.341 -9.464 -1.025 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.387 -9.614 -2.552 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.576 -8.644 -0.632 1.00 0.00 C ATOM 0 H LEU A 152 1.859 -10.630 -0.864 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.462 -10.497 0.850 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.661 -11.603 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.927 -10.819 0.556 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.436 -8.948 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.436 -8.628 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.490 -10.130 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.268 -10.191 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.566 -7.693 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.478 -9.197 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.563 -8.459 0.442 1.00 0.00 H new ATOM 2319 N SER A 153 0.938 -12.685 2.014 1.00 -0.73 N ATOM 2320 CA SER A 153 1.317 -13.943 2.669 1.00 0.36 C ATOM 2321 C SER A 153 0.116 -14.636 3.339 1.00 0.57 C ATOM 2322 O SER A 153 -0.527 -15.495 2.735 1.00 -0.57 O ATOM 2323 CB SER A 153 2.485 -13.649 3.635 1.00 0.28 C ATOM 2324 OG SER A 153 2.899 -14.771 4.384 1.00 -0.68 O ATOM 0 H SER A 153 1.319 -11.860 2.477 1.00 -0.73 H new ATOM 0 HA SER A 153 1.657 -14.665 1.926 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.333 -13.273 3.062 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.187 -12.856 4.321 1.00 0.28 H new ATOM 0 HG SER A 153 3.524 -14.485 5.082 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.187 -14.265 4.586 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.269 -14.827 5.398 1.00 0.36 C ATOM 2332 C GLN A 154 -1.869 -13.717 6.254 1.00 0.57 C ATOM 2333 O GLN A 154 -3.078 -13.691 6.439 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.750 -15.941 6.330 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.378 -17.271 5.638 1.00 0.06 C ATOM 2336 CD GLN A 154 0.871 -17.943 6.225 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.728 -18.429 5.489 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 0.988 -18.000 7.549 1.00 -0.80 N ATOM 0 H GLN A 154 0.334 -13.538 5.076 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.016 -15.254 4.728 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.128 -15.569 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.512 -16.144 7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.220 -17.959 5.715 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -0.215 -17.085 4.576 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.267 -17.591 8.143 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.799 -18.453 7.970 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.046 -12.780 6.730 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.438 -11.551 7.400 1.00 0.36 C ATOM 2349 C ASP A 155 -2.392 -10.729 6.540 1.00 0.57 C ATOM 2350 O ASP A 155 -3.444 -10.313 7.024 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.164 -10.743 7.712 1.00 0.06 C ATOM 2352 CG ASP A 155 0.632 -10.282 6.470 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.097 -9.154 6.463 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.816 -11.173 5.500 1.00 -0.65 O ATOM 0 H ASP A 155 -0.033 -12.869 6.651 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.966 -11.795 8.322 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.441 -9.865 8.295 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.489 -11.349 8.340 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.038 -10.536 5.268 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.831 -9.768 4.317 1.00 0.36 C ATOM 2362 C ASP A 156 -4.112 -10.533 3.989 1.00 0.57 C ATOM 2363 O ASP A 156 -5.203 -9.971 4.102 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.021 -9.528 3.034 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.281 -8.184 2.954 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.627 -7.270 3.684 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.312 -8.111 2.046 1.00 -0.65 O ATOM 0 H ASP A 156 -1.180 -10.916 4.868 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.089 -8.804 4.756 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.290 -10.330 2.932 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.696 -9.601 2.181 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.986 -11.826 3.649 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.122 -12.694 3.328 1.00 0.36 C ATOM 2375 C ILE A 157 -6.115 -12.694 4.493 1.00 0.57 C ATOM 2376 O ILE A 157 -7.319 -12.547 4.290 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.630 -14.126 2.939 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.849 -14.406 1.433 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.265 -15.288 3.732 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.616 -14.036 0.611 1.00 0.00 C ATOM 0 H ILE A 157 -3.084 -12.299 3.590 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.649 -12.308 2.455 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.571 -14.104 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.081 -15.461 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.709 -13.838 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.853 -16.235 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.046 -15.167 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.345 -15.284 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.804 -14.245 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.400 -12.975 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.763 -14.623 0.951 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.609 -12.850 5.723 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.431 -12.936 6.915 1.00 0.36 C ATOM 2394 C LYS A 158 -7.023 -11.573 7.215 1.00 0.57 C ATOM 2395 O LYS A 158 -8.197 -11.525 7.559 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.580 -13.458 8.076 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.408 -13.810 9.312 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.531 -14.410 10.415 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.926 -15.772 10.039 1.00 0.50 C ATOM 2400 NZ LYS A 158 -3.900 -16.199 11.011 1.00 -0.85 N ATOM 0 H LYS A 158 -4.609 -12.920 5.910 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.256 -13.632 6.764 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.032 -14.342 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.839 -12.704 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.906 -12.915 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.190 -14.519 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.725 -13.714 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -6.126 -14.523 11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.716 -16.521 9.991 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.483 -15.712 9.045 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -3.514 -17.121 10.725 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.134 -15.496 11.038 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.329 -16.280 11.955 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.250 -10.494 7.055 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.746 -9.133 7.110 1.00 0.36 C ATOM 2416 C GLY A 159 -7.962 -8.992 6.204 1.00 0.57 C ATOM 2417 O GLY A 159 -9.056 -8.737 6.701 1.00 -0.57 O ATOM 0 H GLY A 159 -5.247 -10.553 6.881 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.012 -8.874 8.135 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.966 -8.439 6.798 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.796 -9.229 4.901 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.873 -9.115 3.926 1.00 0.36 C ATOM 2423 C ILE A 160 -10.061 -10.021 4.290 1.00 0.57 C ATOM 2424 O ILE A 160 -11.192 -9.537 4.373 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.294 -9.338 2.503 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.681 -8.034 1.941 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.339 -9.899 1.530 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.691 -6.904 1.684 1.00 0.00 C ATOM 0 H ILE A 160 -6.903 -9.507 4.494 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.294 -8.110 3.939 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.505 -10.083 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.925 -7.674 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.169 -8.263 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.885 -10.037 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.703 -10.858 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.172 -9.201 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.169 -6.032 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.434 -7.238 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.187 -6.640 2.618 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.836 -11.305 4.575 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.924 -12.215 4.936 1.00 0.36 C ATOM 2442 C GLN A 161 -11.563 -11.884 6.296 1.00 0.57 C ATOM 2443 O GLN A 161 -12.638 -12.401 6.602 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.425 -13.667 4.889 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.539 -14.287 3.490 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.947 -14.848 3.257 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.946 -14.162 3.431 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -12.064 -16.128 2.927 1.00 -0.80 N ATOM 0 H GLN A 161 -8.912 -11.737 4.563 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.717 -12.083 4.200 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.385 -13.700 5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.998 -14.267 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.313 -13.535 2.734 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.802 -15.083 3.379 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -11.229 -16.696 2.783 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -12.989 -16.544 2.817 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.938 -11.035 7.120 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.506 -10.494 8.354 1.00 0.36 C ATOM 2459 C LYS A 162 -12.214 -9.155 8.095 1.00 0.57 C ATOM 2460 O LYS A 162 -13.147 -8.824 8.822 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.365 -10.405 9.384 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.763 -9.996 10.809 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.794 -10.630 11.826 1.00 0.00 C ATOM 2464 CE LYS A 162 -9.991 -10.038 13.231 1.00 0.50 C ATOM 2465 NZ LYS A 162 -8.751 -10.045 14.046 1.00 -0.85 N ATOM 0 H LYS A 162 -9.993 -10.697 6.938 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.284 -11.145 8.754 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.872 -11.376 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.628 -9.691 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.744 -8.910 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.784 -10.317 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.952 -11.708 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.766 -10.468 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.352 -9.014 13.140 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -10.764 -10.603 13.752 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -8.948 -9.634 14.981 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.417 -11.023 14.161 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -8.018 -9.483 13.568 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.830 -8.410 7.047 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.499 -7.182 6.611 1.00 0.36 C ATOM 2481 C LEU A 163 -13.841 -7.450 5.924 1.00 0.57 C ATOM 2482 O LEU A 163 -14.760 -6.647 6.087 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.599 -6.396 5.638 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.619 -5.436 6.323 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.229 -5.521 5.717 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.102 -3.980 6.227 1.00 0.00 C ATOM 0 H LEU A 163 -11.026 -8.653 6.468 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.689 -6.601 7.514 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.033 -7.104 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.231 -5.827 4.956 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.575 -5.741 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.565 -4.825 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.846 -6.536 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.277 -5.263 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.385 -3.325 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.190 -3.694 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.074 -3.886 6.712 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.947 -8.542 5.158 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.117 -8.869 4.329 1.00 0.36 C ATOM 2500 C TYR A 164 -15.616 -10.287 4.660 1.00 0.57 C ATOM 2501 O TYR A 164 -16.152 -10.986 3.799 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.796 -8.693 2.828 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.222 -7.346 2.414 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.860 -7.086 2.640 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.012 -6.374 1.763 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.284 -5.867 2.262 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.436 -5.157 1.347 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.066 -4.900 1.606 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.477 -3.722 1.272 1.00 -0.53 O ATOM 0 H TYR A 164 -13.206 -9.240 5.095 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.924 -8.174 4.558 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -14.090 -9.470 2.536 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.711 -8.864 2.260 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.247 -7.839 3.113 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.060 -6.563 1.583 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.243 -5.670 2.473 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.037 -4.422 0.832 1.00 -0.15 H new ATOM 0 HH TYR A 164 -11.523 -3.870 1.102 1.00 -0.53 H new