USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 888 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 80 GLN :FLIP amide:sc= -0.372 F(o=-5.6!,f=-2.5) USER MOD Set 1.2: A 84 THR OG1 : rot -1:sc= -2.12! USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0.634 USER MOD Set 2.2: A 67 LYS NZ :NH3+ -142:sc= 1.04 (180deg=-0.0548) USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.816 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 175:sc= 1.89 (180deg=-0.157!) USER MOD Set 3.3: A 88 TYR OH : rot 59:sc= 0.99 USER MOD Set 4.1: A 15 LYS NZ :NH3+ -156:sc= 1.16 (180deg=-0.266) USER MOD Set 4.2: A 16 ASN : amide:sc= 0.495 K(o=1.7,f=-8.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.154 K(o=0.15,f=-4.4!) USER MOD Single : A 25 THR OG1 : rot -126:sc= 0.749 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.883) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.477 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 40 CYS SG : rot -158:sc= -3.32! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -3.45! (180deg=-4.59!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= -0.0136 (180deg=-0.163) USER MOD Single : A 71 THR OG1 : rot 170:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.6) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.06) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -157:sc= 1.31 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 110 LYS NZ :NH3+ -159:sc= 0.206 (180deg=-1.07!) USER MOD Single : A 115 ASN : amide:sc= -0.875 K(o=-0.88,f=-3!) USER MOD Single : A 117 LYS NZ :NH3+ -105:sc= 0.0907 (180deg=-0.0471) USER MOD Single : A 118 TYR OH : rot 35:sc= 1.24 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc=-0.00159 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 2.434 10.900 -3.037 1.00 0.00 N ATOM 84 CA PRO A 8 3.734 10.232 -3.022 1.00 0.00 C ATOM 85 C PRO A 8 3.570 8.728 -3.124 1.00 0.00 C ATOM 86 O PRO A 8 4.359 8.033 -3.757 1.00 0.00 O ATOM 87 CB PRO A 8 4.306 10.607 -1.670 1.00 0.00 C ATOM 88 CG PRO A 8 3.139 10.906 -0.808 1.00 0.00 C ATOM 89 CD PRO A 8 2.071 11.452 -1.710 1.00 0.00 C ATOM 0 HA PRO A 8 4.370 10.527 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.899 9.791 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.965 11.472 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.793 10.007 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.402 11.629 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.077 11.130 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.066 12.542 -1.715 1.00 0.00 H new ATOM 97 N VAL A 9 2.535 8.259 -2.502 1.00 0.00 N ATOM 98 CA VAL A 9 2.143 6.897 -2.537 1.00 0.00 C ATOM 99 C VAL A 9 1.374 6.662 -3.837 1.00 0.00 C ATOM 100 O VAL A 9 0.421 7.390 -4.145 1.00 0.00 O ATOM 101 CB VAL A 9 1.332 6.529 -1.237 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.377 7.622 -0.839 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.577 5.236 -1.373 1.00 0.00 C ATOM 0 H VAL A 9 1.920 8.842 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 9 3.005 6.230 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 9 2.080 6.409 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.161 7.325 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.934 8.539 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.335 7.795 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.036 5.031 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.131 5.313 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.278 4.425 -1.571 1.00 0.00 H new ATOM 113 N THR A 10 1.837 5.695 -4.604 1.00 0.00 N ATOM 114 CA THR A 10 1.329 5.408 -5.918 1.00 0.00 C ATOM 115 C THR A 10 -0.138 4.975 -5.867 1.00 0.00 C ATOM 116 O THR A 10 -0.479 3.906 -5.369 1.00 0.00 O ATOM 117 CB THR A 10 2.197 4.315 -6.596 1.00 0.00 C ATOM 118 OG1 THR A 10 3.582 4.737 -6.595 1.00 0.00 O ATOM 119 CG2 THR A 10 1.752 4.065 -8.036 1.00 0.00 C ATOM 0 H THR A 10 2.595 5.076 -4.318 1.00 0.00 H new ATOM 0 HA THR A 10 1.382 6.322 -6.510 1.00 0.00 H new ATOM 0 HB THR A 10 2.079 3.389 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.134 4.048 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.380 3.294 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.713 3.736 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.845 4.986 -8.611 1.00 0.00 H new ATOM 127 N VAL A 11 -0.995 5.829 -6.334 1.00 0.00 N ATOM 128 CA VAL A 11 -2.388 5.526 -6.399 1.00 0.00 C ATOM 129 C VAL A 11 -2.620 4.650 -7.611 1.00 0.00 C ATOM 130 O VAL A 11 -2.508 5.107 -8.754 1.00 0.00 O ATOM 131 CB VAL A 11 -3.248 6.798 -6.519 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.735 6.470 -6.454 1.00 0.00 C ATOM 133 CG2 VAL A 11 -2.869 7.822 -5.466 1.00 0.00 C ATOM 0 H VAL A 11 -0.747 6.756 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.680 5.019 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.047 7.237 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.314 7.389 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.995 5.798 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.960 5.988 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.494 8.708 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.018 7.396 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.822 8.099 -5.588 1.00 0.00 H new ATOM 143 N VAL A 12 -2.882 3.412 -7.363 1.00 0.00 N ATOM 144 CA VAL A 12 -3.121 2.450 -8.388 1.00 0.00 C ATOM 145 C VAL A 12 -4.613 2.216 -8.419 1.00 0.00 C ATOM 146 O VAL A 12 -5.213 1.998 -7.383 1.00 0.00 O ATOM 147 CB VAL A 12 -2.427 1.094 -8.043 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.611 0.117 -9.158 1.00 0.00 C ATOM 149 CG2 VAL A 12 -0.949 1.263 -7.773 1.00 0.00 C ATOM 0 H VAL A 12 -2.938 3.030 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.732 2.811 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.899 0.719 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.122 -0.823 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.675 -0.059 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.171 0.519 -10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.509 0.294 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.463 1.677 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.808 1.940 -6.930 1.00 0.00 H new ATOM 159 N VAL A 13 -5.217 2.305 -9.570 1.00 0.00 N ATOM 160 CA VAL A 13 -6.628 2.014 -9.665 1.00 0.00 C ATOM 161 C VAL A 13 -6.830 0.510 -9.684 1.00 0.00 C ATOM 162 O VAL A 13 -5.854 -0.242 -9.853 1.00 0.00 O ATOM 163 CB VAL A 13 -7.287 2.655 -10.909 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.331 4.153 -10.770 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.533 2.286 -12.157 1.00 0.00 C ATOM 0 H VAL A 13 -4.767 2.572 -10.446 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.114 2.450 -8.792 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.306 2.274 -10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.798 4.587 -11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.910 4.420 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.317 4.539 -10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.012 2.746 -13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.505 2.641 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.534 1.203 -12.276 1.00 0.00 H new ATOM 175 N ALA A 14 -8.078 0.064 -9.568 1.00 0.00 N ATOM 176 CA ALA A 14 -8.395 -1.367 -9.533 1.00 0.00 C ATOM 177 C ALA A 14 -7.941 -2.036 -10.811 1.00 0.00 C ATOM 178 O ALA A 14 -7.646 -3.232 -10.828 1.00 0.00 O ATOM 179 CB ALA A 14 -9.877 -1.599 -9.312 1.00 0.00 C ATOM 0 H ALA A 14 -8.892 0.674 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.859 -1.809 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.078 -2.670 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.177 -1.155 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.442 -1.139 -10.123 1.00 0.00 H new ATOM 185 N LYS A 15 -7.878 -1.243 -11.869 1.00 0.00 N ATOM 186 CA LYS A 15 -7.377 -1.676 -13.149 1.00 0.00 C ATOM 187 C LYS A 15 -5.963 -2.244 -13.037 1.00 0.00 C ATOM 188 O LYS A 15 -5.709 -3.356 -13.475 1.00 0.00 O ATOM 189 CB LYS A 15 -7.385 -0.506 -14.151 1.00 0.00 C ATOM 190 CG LYS A 15 -6.480 -0.728 -15.345 1.00 0.00 C ATOM 191 CD LYS A 15 -6.305 0.524 -16.183 1.00 0.00 C ATOM 192 CE LYS A 15 -5.384 0.278 -17.377 1.00 0.00 C ATOM 193 NZ LYS A 15 -4.064 -0.281 -16.984 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.179 -0.269 -11.855 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.036 -2.468 -13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.404 -0.346 -14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.078 0.405 -13.637 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.504 -1.069 -14.999 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.893 -1.523 -15.967 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.278 0.864 -16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.894 1.322 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.871 -0.408 -18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.231 1.216 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.360 -0.056 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.767 0.135 -16.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.140 -1.313 -16.883 1.00 0.00 H new ATOM 207 N ASN A 16 -5.062 -1.503 -12.419 1.00 0.00 N ATOM 208 CA ASN A 16 -3.663 -1.920 -12.430 1.00 0.00 C ATOM 209 C ASN A 16 -3.283 -2.585 -11.146 1.00 0.00 C ATOM 210 O ASN A 16 -2.161 -3.018 -10.985 1.00 0.00 O ATOM 211 CB ASN A 16 -2.656 -0.777 -12.654 1.00 0.00 C ATOM 212 CG ASN A 16 -3.158 0.434 -13.340 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.274 0.484 -14.548 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.357 1.445 -12.580 1.00 0.00 N ATOM 0 H ASN A 16 -5.258 -0.637 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.604 -2.605 -13.276 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.262 -0.478 -11.683 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.819 -1.171 -13.230 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.626 2.342 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.247 1.353 -11.570 1.00 0.00 H new ATOM 221 N TYR A 17 -4.177 -2.628 -10.212 1.00 0.00 N ATOM 222 CA TYR A 17 -3.915 -3.214 -8.939 1.00 0.00 C ATOM 223 C TYR A 17 -3.399 -4.652 -9.012 1.00 0.00 C ATOM 224 O TYR A 17 -2.456 -5.006 -8.311 1.00 0.00 O ATOM 225 CB TYR A 17 -5.118 -3.010 -8.045 1.00 0.00 C ATOM 226 CG TYR A 17 -5.484 -4.143 -7.123 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.686 -4.493 -6.057 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.648 -4.859 -7.336 1.00 0.00 C ATOM 229 CE1 TYR A 17 -5.024 -5.521 -5.226 1.00 0.00 C ATOM 230 CE2 TYR A 17 -7.007 -5.890 -6.506 1.00 0.00 C ATOM 231 CZ TYR A 17 -6.194 -6.222 -5.453 1.00 0.00 C ATOM 232 OH TYR A 17 -6.559 -7.244 -4.622 1.00 0.00 O ATOM 0 H TYR A 17 -5.120 -2.253 -10.313 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.073 -2.696 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.942 -2.122 -7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.979 -2.797 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.775 -3.943 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.285 -4.602 -8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.383 -5.785 -4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.922 -6.436 -6.680 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.408 -7.626 -4.927 1.00 0.00 H new ATOM 242 N ASN A 18 -3.918 -5.428 -9.908 1.00 0.00 N ATOM 243 CA ASN A 18 -3.485 -6.780 -10.036 1.00 0.00 C ATOM 244 C ASN A 18 -2.184 -6.882 -10.841 1.00 0.00 C ATOM 245 O ASN A 18 -1.624 -7.952 -10.966 1.00 0.00 O ATOM 246 CB ASN A 18 -4.569 -7.655 -10.656 1.00 0.00 C ATOM 247 CG ASN A 18 -4.947 -7.232 -12.049 1.00 0.00 C ATOM 248 OD1 ASN A 18 -4.924 -6.048 -12.403 1.00 0.00 O ATOM 249 ND2 ASN A 18 -5.300 -8.165 -12.841 1.00 0.00 N ATOM 0 H ASN A 18 -4.646 -5.146 -10.565 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.286 -7.148 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.224 -8.689 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.455 -7.628 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.574 -7.945 -13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.308 -9.132 -12.518 1.00 0.00 H new ATOM 256 N GLU A 19 -1.705 -5.768 -11.386 1.00 0.00 N ATOM 257 CA GLU A 19 -0.452 -5.804 -12.156 1.00 0.00 C ATOM 258 C GLU A 19 0.677 -5.178 -11.374 1.00 0.00 C ATOM 259 O GLU A 19 1.788 -5.678 -11.310 1.00 0.00 O ATOM 260 CB GLU A 19 -0.630 -5.138 -13.531 1.00 0.00 C ATOM 261 CG GLU A 19 -0.820 -3.643 -13.585 1.00 0.00 C ATOM 262 CD GLU A 19 -1.170 -3.138 -14.967 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.355 -3.212 -15.365 1.00 0.00 O ATOM 264 OE2 GLU A 19 -0.275 -2.650 -15.679 1.00 0.00 O1- ATOM 0 H GLU A 19 -2.145 -4.851 -11.317 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.190 -6.847 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.244 -5.383 -14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.491 -5.600 -14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.610 -3.358 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.094 -3.154 -13.247 1.00 0.00 H new ATOM 271 N ILE A 20 0.349 -4.084 -10.812 1.00 0.00 N ATOM 272 CA ILE A 20 1.254 -3.257 -10.022 1.00 0.00 C ATOM 273 C ILE A 20 1.388 -3.783 -8.603 1.00 0.00 C ATOM 274 O ILE A 20 2.490 -4.030 -8.134 1.00 0.00 O ATOM 275 CB ILE A 20 0.749 -1.790 -9.942 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.587 -1.172 -11.343 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.690 -0.933 -9.079 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.876 -0.871 -12.067 1.00 0.00 C ATOM 0 H ILE A 20 -0.593 -3.697 -10.875 1.00 0.00 H new ATOM 0 HA ILE A 20 2.221 -3.292 -10.523 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.233 -1.807 -9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.005 -1.852 -11.956 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.017 -0.248 -11.251 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.316 0.090 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.734 -1.344 -8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.689 -0.937 -9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.653 -0.439 -13.043 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.465 -0.164 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.443 -1.793 -12.199 1.00 0.00 H new ATOM 290 N VAL A 21 0.264 -3.946 -7.919 1.00 0.00 N ATOM 291 CA VAL A 21 0.284 -4.332 -6.527 1.00 0.00 C ATOM 292 C VAL A 21 0.470 -5.810 -6.366 1.00 0.00 C ATOM 293 O VAL A 21 1.106 -6.265 -5.447 1.00 0.00 O ATOM 294 CB VAL A 21 -1.007 -3.876 -5.844 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.050 -4.317 -4.395 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.141 -2.365 -5.974 1.00 0.00 C ATOM 0 H VAL A 21 -0.669 -3.816 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 21 1.135 -3.843 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.856 -4.347 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.980 -3.977 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.997 -5.405 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.204 -3.887 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.060 -2.038 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.287 -1.882 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.171 -2.092 -7.029 1.00 0.00 H new ATOM 306 N LEU A 22 -0.016 -6.541 -7.302 1.00 0.00 N ATOM 307 CA LEU A 22 0.048 -7.969 -7.248 1.00 0.00 C ATOM 308 C LEU A 22 1.300 -8.392 -8.045 1.00 0.00 C ATOM 309 O LEU A 22 1.361 -9.437 -8.689 1.00 0.00 O ATOM 310 CB LEU A 22 -1.258 -8.490 -7.855 1.00 0.00 C ATOM 311 CG LEU A 22 -1.825 -9.859 -7.379 1.00 0.00 C ATOM 312 CD1 LEU A 22 -3.007 -10.290 -8.223 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.779 -10.962 -7.286 1.00 0.00 C ATOM 0 H LEU A 22 -0.473 -6.171 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 22 0.139 -8.376 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.026 -7.737 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.117 -8.551 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.170 -9.695 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.379 -11.250 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.798 -9.544 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.695 -10.387 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.252 -11.884 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.331 -11.122 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.004 -10.670 -6.577 1.00 0.00 H new ATOM 325 N ASP A 23 2.282 -7.546 -7.996 1.00 0.00 N ATOM 326 CA ASP A 23 3.543 -7.786 -8.657 1.00 0.00 C ATOM 327 C ASP A 23 4.533 -8.364 -7.649 1.00 0.00 C ATOM 328 O ASP A 23 4.419 -8.114 -6.463 1.00 0.00 O ATOM 329 CB ASP A 23 4.082 -6.480 -9.209 1.00 0.00 C ATOM 330 CG ASP A 23 5.243 -6.631 -10.149 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.517 -7.749 -10.643 1.00 0.00 O ATOM 332 OD2 ASP A 23 5.881 -5.602 -10.467 1.00 0.00 O1- ATOM 0 H ASP A 23 2.238 -6.659 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 23 3.401 -8.491 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.277 -5.960 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.386 -5.846 -8.376 1.00 0.00 H new ATOM 337 N ASP A 24 5.476 -9.151 -8.119 1.00 0.00 N ATOM 338 CA ASP A 24 6.480 -9.750 -7.246 1.00 0.00 C ATOM 339 C ASP A 24 7.865 -9.243 -7.566 1.00 0.00 C ATOM 340 O ASP A 24 8.861 -9.852 -7.181 1.00 0.00 O ATOM 341 CB ASP A 24 6.470 -11.277 -7.341 1.00 0.00 C ATOM 342 CG ASP A 24 6.872 -11.810 -8.697 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.055 -11.743 -9.621 1.00 0.00 O ATOM 344 OD2 ASP A 24 7.984 -12.350 -8.847 1.00 0.00 O1- ATOM 0 H ASP A 24 5.574 -9.396 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 24 6.220 -9.457 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.145 -11.682 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.470 -11.639 -7.101 1.00 0.00 H new ATOM 349 N THR A 25 7.954 -8.140 -8.264 1.00 0.00 N ATOM 350 CA THR A 25 9.249 -7.558 -8.536 1.00 0.00 C ATOM 351 C THR A 25 9.808 -6.967 -7.253 1.00 0.00 C ATOM 352 O THR A 25 11.006 -7.049 -6.975 1.00 0.00 O ATOM 353 CB THR A 25 9.175 -6.479 -9.623 1.00 0.00 C ATOM 354 OG1 THR A 25 8.172 -5.515 -9.271 1.00 0.00 O ATOM 355 CG2 THR A 25 8.863 -7.098 -10.972 1.00 0.00 C ATOM 0 H THR A 25 7.159 -7.631 -8.651 1.00 0.00 H new ATOM 0 HA THR A 25 9.906 -8.345 -8.905 1.00 0.00 H new ATOM 0 HB THR A 25 10.142 -5.982 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.536 -5.419 -10.011 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.815 -6.315 -11.729 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.645 -7.810 -11.235 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.904 -7.614 -10.922 1.00 0.00 H new ATOM 363 N LYS A 26 8.914 -6.396 -6.471 1.00 0.00 N ATOM 364 CA LYS A 26 9.214 -5.817 -5.191 1.00 0.00 C ATOM 365 C LYS A 26 8.015 -6.038 -4.331 1.00 0.00 C ATOM 366 O LYS A 26 7.017 -6.551 -4.826 1.00 0.00 O ATOM 367 CB LYS A 26 9.503 -4.309 -5.260 1.00 0.00 C ATOM 368 CG LYS A 26 10.678 -3.868 -6.148 1.00 0.00 C ATOM 369 CD LYS A 26 10.280 -3.629 -7.604 1.00 0.00 C ATOM 370 CE LYS A 26 9.289 -2.472 -7.743 1.00 0.00 C ATOM 371 NZ LYS A 26 9.848 -1.202 -7.229 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.928 -6.323 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 26 10.115 -6.287 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.603 -3.806 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.690 -3.952 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.108 -2.953 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.457 -4.629 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.172 -3.416 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.837 -4.537 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.017 -2.351 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.374 -2.711 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.248 -0.410 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.879 -1.232 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.811 -1.071 -7.600 1.00 0.00 H new ATOM 385 N ASP A 27 8.083 -5.655 -3.071 1.00 0.00 N ATOM 386 CA ASP A 27 6.943 -5.806 -2.205 1.00 0.00 C ATOM 387 C ASP A 27 6.046 -4.632 -2.468 1.00 0.00 C ATOM 388 O ASP A 27 6.535 -3.530 -2.742 1.00 0.00 O ATOM 389 CB ASP A 27 7.337 -5.807 -0.708 1.00 0.00 C ATOM 390 CG ASP A 27 8.358 -6.859 -0.290 1.00 0.00 C ATOM 391 OD1 ASP A 27 8.184 -8.060 -0.559 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.357 -6.498 0.335 1.00 0.00 O ATOM 0 H ASP A 27 8.907 -5.243 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 27 6.460 -6.761 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.733 -4.823 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.434 -5.949 -0.114 1.00 0.00 H new ATOM 397 N VAL A 28 4.778 -4.835 -2.475 1.00 0.00 N ATOM 398 CA VAL A 28 3.876 -3.737 -2.647 1.00 0.00 C ATOM 399 C VAL A 28 2.869 -3.696 -1.532 1.00 0.00 C ATOM 400 O VAL A 28 2.126 -4.655 -1.301 1.00 0.00 O ATOM 401 CB VAL A 28 3.148 -3.744 -4.021 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.316 -2.486 -4.185 1.00 0.00 C ATOM 403 CG2 VAL A 28 4.131 -3.860 -5.169 1.00 0.00 C ATOM 0 H VAL A 28 4.335 -5.747 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 28 4.490 -2.837 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 28 2.494 -4.616 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.813 -2.506 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.572 -2.435 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.964 -1.611 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.588 -3.862 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.818 -3.014 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.695 -4.788 -5.073 1.00 0.00 H new ATOM 413 N LEU A 29 2.878 -2.609 -0.810 1.00 0.00 N ATOM 414 CA LEU A 29 1.894 -2.360 0.197 1.00 0.00 C ATOM 415 C LEU A 29 0.745 -1.721 -0.455 1.00 0.00 C ATOM 416 O LEU A 29 0.912 -0.697 -1.093 1.00 0.00 O ATOM 417 CB LEU A 29 2.391 -1.377 1.245 1.00 0.00 C ATOM 418 CG LEU A 29 3.007 -1.921 2.512 1.00 0.00 C ATOM 419 CD1 LEU A 29 3.396 -0.762 3.385 1.00 0.00 C ATOM 420 CD2 LEU A 29 2.030 -2.827 3.252 1.00 0.00 C ATOM 0 H LEU A 29 3.574 -1.870 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 29 1.652 -3.308 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.129 -0.731 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.550 -0.745 1.531 1.00 0.00 H new ATOM 0 HG LEU A 29 3.884 -2.517 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.843 -1.135 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.117 -0.136 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.510 -0.173 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.500 -3.204 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.136 -2.261 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.754 -3.665 2.611 1.00 0.00 H new ATOM 432 N ILE A 30 -0.386 -2.304 -0.373 1.00 0.00 N ATOM 433 CA ILE A 30 -1.518 -1.612 -0.875 1.00 0.00 C ATOM 434 C ILE A 30 -2.455 -1.270 0.242 1.00 0.00 C ATOM 435 O ILE A 30 -2.586 -2.028 1.211 1.00 0.00 O ATOM 436 CB ILE A 30 -2.278 -2.375 -1.957 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.227 -1.409 -2.659 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.035 -3.569 -1.363 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.050 -2.020 -3.721 1.00 0.00 C ATOM 0 H ILE A 30 -0.558 -3.228 0.022 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.130 -0.707 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.573 -2.780 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.888 -0.965 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.643 -0.597 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.567 -4.094 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.327 -4.249 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.750 -3.214 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.694 -1.261 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.400 -2.439 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.665 -2.813 -3.294 1.00 0.00 H new ATOM 451 N GLU A 31 -3.077 -0.141 0.122 1.00 0.00 N ATOM 452 CA GLU A 31 -4.058 0.275 1.041 1.00 0.00 C ATOM 453 C GLU A 31 -5.313 0.710 0.281 1.00 0.00 C ATOM 454 O GLU A 31 -5.289 1.635 -0.535 1.00 0.00 O ATOM 455 CB GLU A 31 -3.523 1.375 1.950 1.00 0.00 C ATOM 456 CG GLU A 31 -2.289 0.963 2.750 1.00 0.00 C ATOM 457 CD GLU A 31 -1.901 1.952 3.812 1.00 0.00 C ATOM 458 OE1 GLU A 31 -2.748 2.291 4.679 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -0.732 2.403 3.852 1.00 0.00 O ATOM 0 H GLU A 31 -2.906 0.521 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.326 -0.559 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.278 2.248 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.309 1.677 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.476 -0.004 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.451 0.830 2.066 1.00 0.00 H new ATOM 466 N PHE A 32 -6.354 -0.041 0.468 1.00 0.00 N ATOM 467 CA PHE A 32 -7.658 0.238 -0.097 1.00 0.00 C ATOM 468 C PHE A 32 -8.287 1.281 0.734 1.00 0.00 C ATOM 469 O PHE A 32 -8.267 1.153 1.948 1.00 0.00 O ATOM 470 CB PHE A 32 -8.568 -0.984 -0.010 1.00 0.00 C ATOM 471 CG PHE A 32 -8.156 -2.168 -0.856 1.00 0.00 C ATOM 472 CD1 PHE A 32 -7.051 -2.924 -0.534 1.00 0.00 C ATOM 473 CD2 PHE A 32 -8.881 -2.513 -1.974 1.00 0.00 C ATOM 474 CE1 PHE A 32 -6.674 -3.992 -1.300 1.00 0.00 C ATOM 475 CE2 PHE A 32 -8.507 -3.593 -2.751 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.402 -4.330 -2.413 1.00 0.00 C ATOM 0 H PHE A 32 -6.330 -0.891 1.032 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.532 0.533 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.618 -1.304 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.575 -0.686 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.471 -2.668 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.751 -1.934 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.803 -4.570 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.085 -3.856 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.106 -5.173 -3.020 1.00 0.00 H new ATOM 486 N TYR A 33 -8.857 2.267 0.112 1.00 0.00 N ATOM 487 CA TYR A 33 -9.514 3.333 0.833 1.00 0.00 C ATOM 488 C TYR A 33 -10.724 3.816 0.072 1.00 0.00 C ATOM 489 O TYR A 33 -11.134 3.211 -0.917 1.00 0.00 O ATOM 490 CB TYR A 33 -8.552 4.519 1.108 1.00 0.00 C ATOM 491 CG TYR A 33 -8.037 5.259 -0.124 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.140 4.672 -0.993 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.447 6.562 -0.396 1.00 0.00 C ATOM 494 CE1 TYR A 33 -6.666 5.347 -2.093 1.00 0.00 C ATOM 495 CE2 TYR A 33 -7.979 7.242 -1.503 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.089 6.624 -2.348 1.00 0.00 C ATOM 497 OH TYR A 33 -6.577 7.308 -3.436 1.00 0.00 O ATOM 0 H TYR A 33 -8.884 2.363 -0.903 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.831 2.929 1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.064 5.235 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.695 4.144 1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.804 3.663 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.143 7.049 0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.960 4.870 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.310 8.251 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.979 8.201 -3.480 1.00 0.00 H new ATOM 507 N ALA A 34 -11.279 4.882 0.558 1.00 0.00 N ATOM 508 CA ALA A 34 -12.402 5.553 -0.026 1.00 0.00 C ATOM 509 C ALA A 34 -12.140 7.035 0.170 1.00 0.00 C ATOM 510 O ALA A 34 -11.441 7.378 1.101 1.00 0.00 O ATOM 511 CB ALA A 34 -13.676 5.138 0.700 1.00 0.00 C ATOM 0 H ALA A 34 -10.947 5.330 1.412 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.527 5.308 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.531 5.648 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.811 4.060 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.599 5.408 1.753 1.00 0.00 H new ATOM 517 N PRO A 35 -12.702 7.937 -0.633 1.00 0.00 N ATOM 518 CA PRO A 35 -12.406 9.352 -0.513 1.00 0.00 C ATOM 519 C PRO A 35 -13.277 9.979 0.542 1.00 0.00 C ATOM 520 O PRO A 35 -13.013 11.060 1.045 1.00 0.00 O ATOM 521 CB PRO A 35 -12.749 9.906 -1.893 1.00 0.00 C ATOM 522 CG PRO A 35 -13.657 8.906 -2.546 1.00 0.00 C ATOM 523 CD PRO A 35 -13.683 7.675 -1.683 1.00 0.00 C ATOM 0 HA PRO A 35 -11.375 9.552 -0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.238 10.876 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.846 10.054 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.661 9.316 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.300 8.663 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.675 7.506 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.422 6.785 -2.255 1.00 0.00 H new ATOM 531 N TRP A 36 -14.302 9.255 0.871 1.00 0.00 N ATOM 532 CA TRP A 36 -15.286 9.671 1.860 1.00 0.00 C ATOM 533 C TRP A 36 -14.993 9.095 3.231 1.00 0.00 C ATOM 534 O TRP A 36 -15.739 9.315 4.178 1.00 0.00 O ATOM 535 CB TRP A 36 -16.698 9.271 1.408 1.00 0.00 C ATOM 536 CG TRP A 36 -16.926 7.784 1.164 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.930 7.150 -0.045 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.208 6.757 2.148 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.178 5.810 0.124 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.352 5.546 1.453 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.345 6.748 3.540 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.623 4.346 2.099 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.616 5.556 4.178 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.751 4.369 3.457 1.00 0.00 C ATOM 0 H TRP A 36 -14.494 8.341 0.461 1.00 0.00 H new ATOM 0 HA TRP A 36 -15.227 10.756 1.941 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.409 9.608 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.930 9.809 0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.762 7.632 -0.997 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.225 5.120 -0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.240 7.661 4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.729 3.425 1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.725 5.541 5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -17.961 3.450 3.984 1.00 0.00 H new ATOM 555 N CYS A 37 -13.913 8.387 3.338 1.00 0.00 N ATOM 556 CA CYS A 37 -13.605 7.679 4.560 1.00 0.00 C ATOM 557 C CYS A 37 -12.909 8.583 5.568 1.00 0.00 C ATOM 558 O CYS A 37 -11.833 9.097 5.307 1.00 0.00 O ATOM 559 CB CYS A 37 -12.745 6.451 4.251 1.00 0.00 C ATOM 560 SG CYS A 37 -12.329 5.412 5.666 1.00 0.00 S ATOM 0 H CYS A 37 -13.222 8.278 2.596 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.543 7.352 5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.268 5.840 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.819 6.787 3.785 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.603 4.409 5.270 1.00 0.00 H new ATOM 566 N GLY A 38 -13.524 8.771 6.717 1.00 0.00 N ATOM 567 CA GLY A 38 -12.912 9.556 7.770 1.00 0.00 C ATOM 568 C GLY A 38 -11.712 8.839 8.356 1.00 0.00 C ATOM 569 O GLY A 38 -10.795 9.460 8.912 1.00 0.00 O ATOM 0 H GLY A 38 -14.443 8.393 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.604 10.524 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.643 9.750 8.555 1.00 0.00 H new ATOM 573 N HIS A 39 -11.704 7.529 8.219 1.00 0.00 N ATOM 574 CA HIS A 39 -10.609 6.728 8.707 1.00 0.00 C ATOM 575 C HIS A 39 -9.394 6.832 7.797 1.00 0.00 C ATOM 576 O HIS A 39 -8.304 7.014 8.278 1.00 0.00 O ATOM 577 CB HIS A 39 -11.001 5.258 8.944 1.00 0.00 C ATOM 578 CG HIS A 39 -11.977 5.054 10.070 1.00 0.00 C ATOM 579 ND1 HIS A 39 -13.150 4.348 9.938 1.00 0.00 N ATOM 580 CD2 HIS A 39 -11.923 5.437 11.365 1.00 0.00 C ATOM 581 CE1 HIS A 39 -13.768 4.305 11.093 1.00 0.00 C ATOM 582 NE2 HIS A 39 -13.047 4.955 11.973 1.00 0.00 N ATOM 0 H HIS A 39 -12.450 6.997 7.770 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.341 7.139 9.680 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.432 4.856 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.099 4.682 9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.139 6.015 11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.712 3.817 11.287 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.287 5.081 12.956 1.00 0.00 H new ATOM 591 N CYS A 40 -9.585 6.794 6.478 1.00 0.00 N ATOM 592 CA CYS A 40 -8.434 6.853 5.553 1.00 0.00 C ATOM 593 C CYS A 40 -7.792 8.231 5.612 1.00 0.00 C ATOM 594 O CYS A 40 -6.604 8.400 5.344 1.00 0.00 O ATOM 595 CB CYS A 40 -8.845 6.561 4.118 1.00 0.00 C ATOM 596 SG CYS A 40 -9.844 7.862 3.392 1.00 0.00 S ATOM 0 H CYS A 40 -10.497 6.725 6.027 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.723 6.089 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.950 6.418 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.402 5.625 4.090 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.528 7.380 2.397 1.00 0.00 H new ATOM 602 N LYS A 41 -8.578 9.218 5.995 1.00 0.00 N ATOM 603 CA LYS A 41 -8.080 10.572 6.140 1.00 0.00 C ATOM 604 C LYS A 41 -7.235 10.713 7.427 1.00 0.00 C ATOM 605 O LYS A 41 -6.611 11.742 7.676 1.00 0.00 O ATOM 606 CB LYS A 41 -9.222 11.599 6.072 1.00 0.00 C ATOM 607 CG LYS A 41 -10.031 11.530 4.761 1.00 0.00 C ATOM 608 CD LYS A 41 -11.032 12.674 4.621 1.00 0.00 C ATOM 609 CE LYS A 41 -12.158 12.586 5.640 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.133 13.682 5.474 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.568 9.107 6.212 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.420 10.785 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.895 11.439 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.807 12.601 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.344 11.549 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.564 10.580 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.512 13.625 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.453 12.664 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.667 11.628 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.741 12.619 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.885 13.588 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.652 14.596 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.549 13.635 4.522 1.00 0.00 H new ATOM 624 N ALA A 42 -7.193 9.645 8.223 1.00 0.00 N ATOM 625 CA ALA A 42 -6.353 9.585 9.407 1.00 0.00 C ATOM 626 C ALA A 42 -5.058 8.914 9.019 1.00 0.00 C ATOM 627 O ALA A 42 -4.052 8.991 9.705 1.00 0.00 O ATOM 628 CB ALA A 42 -7.020 8.757 10.474 1.00 0.00 C ATOM 0 H ALA A 42 -7.742 8.801 8.061 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.181 10.591 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.382 8.719 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.978 9.206 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.184 7.746 10.101 1.00 0.00 H new ATOM 634 N LEU A 43 -5.122 8.276 7.887 1.00 0.00 N ATOM 635 CA LEU A 43 -4.052 7.507 7.301 1.00 0.00 C ATOM 636 C LEU A 43 -3.251 8.367 6.347 1.00 0.00 C ATOM 637 O LEU A 43 -2.180 8.019 5.925 1.00 0.00 O ATOM 638 CB LEU A 43 -4.618 6.294 6.563 1.00 0.00 C ATOM 639 CG LEU A 43 -4.884 5.004 7.380 1.00 0.00 C ATOM 640 CD1 LEU A 43 -5.923 5.186 8.460 1.00 0.00 C ATOM 641 CD2 LEU A 43 -5.243 3.845 6.467 1.00 0.00 C ATOM 0 H LEU A 43 -5.966 8.275 7.314 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.394 7.160 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.557 6.594 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.929 6.042 5.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.951 4.769 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.061 4.246 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.591 5.954 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.868 5.489 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.425 2.953 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.142 4.092 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.421 3.657 5.777 1.00 0.00 H new ATOM 653 N ALA A 44 -3.786 9.505 6.073 1.00 0.00 N ATOM 654 CA ALA A 44 -3.180 10.537 5.227 1.00 0.00 C ATOM 655 C ALA A 44 -1.701 10.819 5.575 1.00 0.00 C ATOM 656 O ALA A 44 -0.863 10.848 4.669 1.00 0.00 O ATOM 657 CB ALA A 44 -3.989 11.802 5.333 1.00 0.00 C ATOM 0 H ALA A 44 -4.699 9.778 6.437 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.187 10.163 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.542 12.573 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.009 11.610 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.002 12.140 6.369 1.00 0.00 H new ATOM 663 N PRO A 45 -1.315 10.963 6.890 1.00 0.00 N ATOM 664 CA PRO A 45 0.059 11.247 7.233 1.00 0.00 C ATOM 665 C PRO A 45 0.938 10.085 6.916 1.00 0.00 C ATOM 666 O PRO A 45 2.077 10.245 6.540 1.00 0.00 O ATOM 667 CB PRO A 45 0.060 11.446 8.730 1.00 0.00 C ATOM 668 CG PRO A 45 -1.357 11.475 9.163 1.00 0.00 C ATOM 669 CD PRO A 45 -2.148 10.831 8.099 1.00 0.00 C ATOM 0 HA PRO A 45 0.428 12.110 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.599 10.639 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.564 12.376 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.482 10.948 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.690 12.500 9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.348 9.785 8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.114 11.320 7.971 1.00 0.00 H new ATOM 677 N LYS A 46 0.384 8.904 7.010 1.00 0.00 N ATOM 678 CA LYS A 46 1.214 7.712 6.780 1.00 0.00 C ATOM 679 C LYS A 46 1.441 7.596 5.307 1.00 0.00 C ATOM 680 O LYS A 46 2.489 7.215 4.862 1.00 0.00 O ATOM 681 CB LYS A 46 0.581 6.405 7.310 1.00 0.00 C ATOM 682 CG LYS A 46 -0.405 5.763 6.345 1.00 0.00 C ATOM 683 CD LYS A 46 -1.474 4.997 7.022 1.00 0.00 C ATOM 684 CE LYS A 46 -1.031 3.659 7.545 1.00 0.00 C ATOM 685 NZ LYS A 46 -0.889 2.675 6.468 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.595 8.726 7.234 1.00 0.00 H new ATOM 0 HA LYS A 46 2.146 7.840 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.375 5.692 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.070 6.615 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.859 6.540 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.137 5.099 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.862 5.589 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.298 4.848 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.079 3.769 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.754 3.297 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.292 1.888 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.827 2.312 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.447 3.126 5.642 1.00 0.00 H new ATOM 699 N TYR A 47 0.455 8.008 4.571 1.00 0.00 N ATOM 700 CA TYR A 47 0.494 7.907 3.150 1.00 0.00 C ATOM 701 C TYR A 47 1.497 8.827 2.609 1.00 0.00 C ATOM 702 O TYR A 47 2.396 8.429 1.856 1.00 0.00 O ATOM 703 CB TYR A 47 -0.848 8.209 2.531 1.00 0.00 C ATOM 704 CG TYR A 47 -1.827 7.129 2.633 1.00 0.00 C ATOM 705 CD1 TYR A 47 -1.463 5.858 2.301 1.00 0.00 C ATOM 706 CD2 TYR A 47 -3.118 7.374 3.035 1.00 0.00 C ATOM 707 CE1 TYR A 47 -2.351 4.842 2.366 1.00 0.00 C ATOM 708 CE2 TYR A 47 -4.030 6.366 3.112 1.00 0.00 C ATOM 709 CZ TYR A 47 -3.653 5.099 2.777 1.00 0.00 C ATOM 710 OH TYR A 47 -4.561 4.094 2.871 1.00 0.00 O ATOM 0 H TYR A 47 -0.399 8.424 4.942 1.00 0.00 H new ATOM 0 HA TYR A 47 0.759 6.879 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.259 9.099 3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.701 8.449 1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.450 5.660 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.413 8.380 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.051 3.839 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.041 6.568 3.435 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.420 4.456 3.175 1.00 0.00 H new ATOM 720 N GLU A 48 1.392 10.036 3.032 1.00 0.00 N ATOM 721 CA GLU A 48 2.247 11.037 2.555 1.00 0.00 C ATOM 722 C GLU A 48 3.664 10.857 3.042 1.00 0.00 C ATOM 723 O GLU A 48 4.579 11.026 2.282 1.00 0.00 O ATOM 724 CB GLU A 48 1.697 12.412 2.845 1.00 0.00 C ATOM 725 CG GLU A 48 0.388 12.691 2.103 1.00 0.00 C ATOM 726 CD GLU A 48 -0.246 14.007 2.472 1.00 0.00 C ATOM 727 OE1 GLU A 48 0.234 15.063 2.019 1.00 0.00 O1- ATOM 728 OE2 GLU A 48 -1.238 14.020 3.232 1.00 0.00 O ATOM 0 H GLU A 48 0.707 10.349 3.720 1.00 0.00 H new ATOM 0 HA GLU A 48 2.293 10.939 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.531 12.514 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.437 13.162 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.578 12.677 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.317 11.886 2.312 1.00 0.00 H new ATOM 735 N GLU A 49 3.849 10.407 4.250 1.00 0.00 N ATOM 736 CA GLU A 49 5.182 10.318 4.777 1.00 0.00 C ATOM 737 C GLU A 49 5.839 9.023 4.374 1.00 0.00 C ATOM 738 O GLU A 49 6.928 9.037 3.846 1.00 0.00 O ATOM 739 CB GLU A 49 5.232 10.502 6.302 1.00 0.00 C ATOM 740 CG GLU A 49 4.657 11.828 6.796 1.00 0.00 C ATOM 741 CD GLU A 49 5.270 13.026 6.127 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.352 13.471 6.548 1.00 0.00 O ATOM 743 OE2 GLU A 49 4.671 13.557 5.176 1.00 0.00 O1- ATOM 0 H GLU A 49 3.108 10.100 4.880 1.00 0.00 H new ATOM 0 HA GLU A 49 5.743 11.145 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.685 9.685 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.268 10.424 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.581 11.836 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.809 11.904 7.873 1.00 0.00 H new ATOM 750 N LEU A 50 5.137 7.909 4.514 1.00 0.00 N ATOM 751 CA LEU A 50 5.758 6.626 4.294 1.00 0.00 C ATOM 752 C LEU A 50 5.896 6.425 2.830 1.00 0.00 C ATOM 753 O LEU A 50 6.913 5.962 2.349 1.00 0.00 O ATOM 754 CB LEU A 50 4.878 5.551 4.903 1.00 0.00 C ATOM 755 CG LEU A 50 5.467 4.129 5.182 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.659 3.328 3.925 1.00 0.00 C ATOM 757 CD2 LEU A 50 6.778 4.203 5.941 1.00 0.00 C ATOM 0 H LEU A 50 4.152 7.873 4.775 1.00 0.00 H new ATOM 0 HA LEU A 50 6.743 6.577 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.500 5.938 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.018 5.423 4.245 1.00 0.00 H new ATOM 0 HG LEU A 50 4.728 3.619 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.070 2.350 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.699 3.201 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.347 3.851 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.155 3.195 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.505 4.766 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.617 4.701 6.897 1.00 0.00 H new ATOM 769 N GLY A 51 4.891 6.835 2.118 1.00 0.00 N ATOM 770 CA GLY A 51 4.930 6.649 0.700 1.00 0.00 C ATOM 771 C GLY A 51 5.843 7.591 0.026 1.00 0.00 C ATOM 772 O GLY A 51 6.407 7.256 -0.980 1.00 0.00 O ATOM 0 H GLY A 51 4.054 7.289 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.242 5.628 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.926 6.770 0.294 1.00 0.00 H new ATOM 776 N ALA A 52 6.006 8.776 0.567 1.00 0.00 N ATOM 777 CA ALA A 52 6.998 9.674 0.013 1.00 0.00 C ATOM 778 C ALA A 52 8.362 9.130 0.280 1.00 0.00 C ATOM 779 O ALA A 52 9.182 9.001 -0.628 1.00 0.00 O ATOM 780 CB ALA A 52 6.875 11.045 0.593 1.00 0.00 C ATOM 0 H ALA A 52 5.483 9.135 1.366 1.00 0.00 H new ATOM 0 HA ALA A 52 6.832 9.749 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.634 11.694 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.885 11.445 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.016 10.997 1.673 1.00 0.00 H new ATOM 786 N LEU A 53 8.579 8.725 1.510 1.00 0.00 N ATOM 787 CA LEU A 53 9.889 8.230 1.896 1.00 0.00 C ATOM 788 C LEU A 53 10.231 6.995 1.110 1.00 0.00 C ATOM 789 O LEU A 53 11.332 6.858 0.603 1.00 0.00 O ATOM 790 CB LEU A 53 9.991 7.950 3.402 1.00 0.00 C ATOM 791 CG LEU A 53 9.846 9.155 4.333 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.954 8.722 5.784 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.881 10.218 4.011 1.00 0.00 C ATOM 0 H LEU A 53 7.881 8.726 2.253 1.00 0.00 H new ATOM 0 HA LEU A 53 10.609 9.016 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.225 7.221 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.956 7.483 3.597 1.00 0.00 H new ATOM 0 HG LEU A 53 8.859 9.589 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.849 9.592 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.165 8.004 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.926 8.259 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.756 11.064 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.881 9.801 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.750 10.553 2.982 1.00 0.00 H new ATOM 805 N TYR A 54 9.273 6.142 0.932 1.00 0.00 N ATOM 806 CA TYR A 54 9.535 4.935 0.243 1.00 0.00 C ATOM 807 C TYR A 54 9.543 5.104 -1.257 1.00 0.00 C ATOM 808 O TYR A 54 10.490 4.735 -1.883 1.00 0.00 O ATOM 809 CB TYR A 54 8.674 3.774 0.753 1.00 0.00 C ATOM 810 CG TYR A 54 9.149 3.242 2.113 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.370 4.094 3.192 1.00 0.00 C ATOM 812 CD2 TYR A 54 9.394 1.897 2.304 1.00 0.00 C ATOM 813 CE1 TYR A 54 9.822 3.618 4.402 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.839 1.411 3.517 1.00 0.00 C ATOM 815 CZ TYR A 54 10.053 2.276 4.560 1.00 0.00 C ATOM 816 OH TYR A 54 10.514 1.802 5.764 1.00 0.00 O ATOM 0 H TYR A 54 8.313 6.263 1.254 1.00 0.00 H new ATOM 0 HA TYR A 54 10.559 4.648 0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.638 4.104 0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.693 2.964 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.183 5.151 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.234 1.210 1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.994 4.299 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.018 0.354 3.644 1.00 0.00 H new ATOM 0 HH TYR A 54 10.625 0.830 5.712 1.00 0.00 H new ATOM 826 N ALA A 55 8.566 5.774 -1.807 1.00 0.00 N ATOM 827 CA ALA A 55 8.461 5.903 -3.266 1.00 0.00 C ATOM 828 C ALA A 55 9.247 7.110 -3.838 1.00 0.00 C ATOM 829 O ALA A 55 9.072 7.468 -5.012 1.00 0.00 O ATOM 830 CB ALA A 55 7.003 5.941 -3.708 1.00 0.00 C ATOM 0 H ALA A 55 7.826 6.243 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 55 8.931 5.012 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.954 6.037 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.506 5.020 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.505 6.793 -3.246 1.00 0.00 H new ATOM 836 N LYS A 56 10.112 7.716 -3.027 1.00 0.00 N ATOM 837 CA LYS A 56 10.958 8.786 -3.445 1.00 0.00 C ATOM 838 C LYS A 56 12.414 8.612 -2.964 1.00 0.00 C ATOM 839 O LYS A 56 13.321 9.217 -3.523 1.00 0.00 O ATOM 840 CB LYS A 56 10.392 10.142 -3.048 1.00 0.00 C ATOM 841 CG LYS A 56 9.267 10.640 -3.954 1.00 0.00 C ATOM 842 CD LYS A 56 9.029 12.143 -3.835 1.00 0.00 C ATOM 843 CE LYS A 56 8.587 12.583 -2.448 1.00 0.00 C ATOM 844 NZ LYS A 56 8.350 14.046 -2.391 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.232 7.458 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 56 10.985 8.751 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.020 10.083 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.198 10.875 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.506 10.396 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.347 10.111 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.946 12.669 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.271 12.441 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.675 12.055 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.348 12.308 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.050 14.312 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.228 14.549 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.606 14.304 -3.070 1.00 0.00 H new ATOM 858 N SER A 57 12.647 7.784 -1.946 1.00 0.00 N ATOM 859 CA SER A 57 14.025 7.491 -1.517 1.00 0.00 C ATOM 860 C SER A 57 14.413 6.136 -2.100 1.00 0.00 C ATOM 861 O SER A 57 13.664 5.609 -2.874 1.00 0.00 O ATOM 862 CB SER A 57 14.152 7.498 0.009 1.00 0.00 C ATOM 863 OG SER A 57 13.789 8.765 0.546 1.00 0.00 O ATOM 0 H SER A 57 11.920 7.310 -1.409 1.00 0.00 H new ATOM 0 HA SER A 57 14.701 8.264 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.514 6.723 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.177 7.259 0.293 1.00 0.00 H new ATOM 0 HG SER A 57 13.877 8.744 1.522 1.00 0.00 H new ATOM 869 N GLU A 58 15.537 5.552 -1.718 1.00 0.00 N ATOM 870 CA GLU A 58 16.010 4.278 -2.319 1.00 0.00 C ATOM 871 C GLU A 58 15.081 3.042 -2.124 1.00 0.00 C ATOM 872 O GLU A 58 15.436 1.926 -2.508 1.00 0.00 O ATOM 873 CB GLU A 58 17.481 3.973 -1.945 1.00 0.00 C ATOM 874 CG GLU A 58 17.817 3.921 -0.448 1.00 0.00 C ATOM 875 CD GLU A 58 17.133 2.803 0.300 1.00 0.00 C ATOM 876 OE1 GLU A 58 17.318 1.621 -0.060 1.00 0.00 O1- ATOM 877 OE2 GLU A 58 16.395 3.083 1.251 1.00 0.00 O ATOM 0 H GLU A 58 16.152 5.926 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 58 15.960 4.463 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.753 3.015 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.114 4.729 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.896 3.814 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.540 4.871 0.008 1.00 0.00 H new ATOM 884 N PHE A 59 13.879 3.244 -1.631 1.00 0.00 N ATOM 885 CA PHE A 59 12.972 2.147 -1.442 1.00 0.00 C ATOM 886 C PHE A 59 12.028 2.152 -2.594 1.00 0.00 C ATOM 887 O PHE A 59 11.224 1.286 -2.726 1.00 0.00 O ATOM 888 CB PHE A 59 12.110 2.287 -0.226 1.00 0.00 C ATOM 889 CG PHE A 59 12.795 2.615 1.072 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.234 1.605 1.910 1.00 0.00 C ATOM 891 CD2 PHE A 59 12.958 3.931 1.474 1.00 0.00 C ATOM 892 CE1 PHE A 59 13.824 1.898 3.121 1.00 0.00 C ATOM 893 CE2 PHE A 59 13.553 4.233 2.681 1.00 0.00 C ATOM 894 CZ PHE A 59 13.985 3.214 3.508 1.00 0.00 C ATOM 0 H PHE A 59 13.513 4.156 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 59 13.577 1.246 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.372 3.064 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.562 1.354 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.113 0.574 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.615 4.730 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.160 1.100 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.681 5.263 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.448 3.446 4.456 1.00 0.00 H new ATOM 904 N LYS A 60 12.136 3.155 -3.431 1.00 0.00 N ATOM 905 CA LYS A 60 11.259 3.296 -4.574 1.00 0.00 C ATOM 906 C LYS A 60 11.693 2.330 -5.658 1.00 0.00 C ATOM 907 O LYS A 60 10.995 2.091 -6.641 1.00 0.00 O ATOM 908 CB LYS A 60 11.251 4.746 -5.048 1.00 0.00 C ATOM 909 CG LYS A 60 12.582 5.248 -5.485 1.00 0.00 C ATOM 910 CD LYS A 60 12.539 6.636 -6.053 1.00 0.00 C ATOM 911 CE LYS A 60 13.946 7.122 -6.350 1.00 0.00 C ATOM 912 NZ LYS A 60 14.615 6.314 -7.384 1.00 0.00 N1+ ATOM 0 H LYS A 60 12.831 3.896 -3.342 1.00 0.00 H new ATOM 0 HA LYS A 60 10.234 3.047 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.548 4.843 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.883 5.379 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.265 5.232 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.990 4.569 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.942 6.646 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.054 7.311 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.907 8.162 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.537 7.096 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.498 6.781 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.830 5.371 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.989 6.219 -8.209 1.00 0.00 H new ATOM 926 N ASP A 61 12.860 1.767 -5.437 1.00 0.00 N ATOM 927 CA ASP A 61 13.399 0.701 -6.257 1.00 0.00 C ATOM 928 C ASP A 61 12.963 -0.596 -5.626 1.00 0.00 C ATOM 929 O ASP A 61 12.916 -1.646 -6.253 1.00 0.00 O ATOM 930 CB ASP A 61 14.931 0.768 -6.259 1.00 0.00 C ATOM 931 CG ASP A 61 15.578 -0.358 -7.047 1.00 0.00 C ATOM 932 OD1 ASP A 61 15.570 -0.309 -8.291 1.00 0.00 O ATOM 933 OD2 ASP A 61 16.156 -1.284 -6.434 1.00 0.00 O1- ATOM 0 H ASP A 61 13.473 2.041 -4.669 1.00 0.00 H new ATOM 0 HA ASP A 61 13.046 0.786 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.246 1.724 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.291 0.737 -5.231 1.00 0.00 H new ATOM 938 N ARG A 62 12.554 -0.473 -4.389 1.00 0.00 N ATOM 939 CA ARG A 62 12.209 -1.564 -3.567 1.00 0.00 C ATOM 940 C ARG A 62 10.668 -1.541 -3.427 1.00 0.00 C ATOM 941 O ARG A 62 9.967 -1.350 -4.435 1.00 0.00 O ATOM 942 CB ARG A 62 12.955 -1.322 -2.240 1.00 0.00 C ATOM 943 CG ARG A 62 12.994 -2.462 -1.274 1.00 0.00 C ATOM 944 CD ARG A 62 14.412 -2.709 -0.751 1.00 0.00 C ATOM 945 NE ARG A 62 15.044 -1.504 -0.195 1.00 0.00 N ATOM 946 CZ ARG A 62 15.551 -1.405 1.045 1.00 0.00 C ATOM 947 NH1 ARG A 62 15.434 -2.413 1.909 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 16.208 -0.318 1.407 1.00 0.00 N ATOM 0 H ARG A 62 12.455 0.430 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 62 12.486 -2.547 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.981 -1.039 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.494 -0.469 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.328 -2.253 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.622 -3.364 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.379 -3.481 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.030 -3.093 -1.563 1.00 0.00 H new ATOM 0 HE ARG A 62 15.102 -0.682 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.956 -3.270 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.823 -2.327 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.331 0.448 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.592 -0.244 2.349 1.00 0.00 H new ATOM 962 N VAL A 63 10.167 -1.699 -2.222 1.00 0.00 N ATOM 963 CA VAL A 63 8.729 -1.743 -1.947 1.00 0.00 C ATOM 964 C VAL A 63 8.000 -0.473 -2.399 1.00 0.00 C ATOM 965 O VAL A 63 8.434 0.649 -2.141 1.00 0.00 O ATOM 966 CB VAL A 63 8.439 -2.011 -0.439 1.00 0.00 C ATOM 967 CG1 VAL A 63 9.211 -1.049 0.403 1.00 0.00 C ATOM 968 CG2 VAL A 63 6.940 -1.904 -0.115 1.00 0.00 C ATOM 0 H VAL A 63 10.745 -1.803 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 63 8.341 -2.575 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 63 8.752 -3.031 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.005 -1.240 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.277 -1.174 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.915 -0.030 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.782 -2.098 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.586 -0.902 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.387 -2.636 -0.704 1.00 0.00 H new ATOM 978 N VAL A 64 6.905 -0.672 -3.059 1.00 0.00 N ATOM 979 CA VAL A 64 6.101 0.415 -3.535 1.00 0.00 C ATOM 980 C VAL A 64 4.920 0.573 -2.609 1.00 0.00 C ATOM 981 O VAL A 64 4.300 -0.427 -2.215 1.00 0.00 O ATOM 982 CB VAL A 64 5.592 0.144 -4.972 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.780 1.319 -5.513 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.760 -0.151 -5.879 1.00 0.00 C ATOM 0 H VAL A 64 6.538 -1.596 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 64 6.704 1.323 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 64 4.931 -0.722 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.440 1.092 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.917 1.492 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.403 2.213 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.397 -0.341 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.436 0.704 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.292 -1.029 -5.513 1.00 0.00 H new ATOM 994 N ILE A 65 4.632 1.786 -2.202 1.00 0.00 N ATOM 995 CA ILE A 65 3.479 2.009 -1.405 1.00 0.00 C ATOM 996 C ILE A 65 2.399 2.414 -2.369 1.00 0.00 C ATOM 997 O ILE A 65 2.530 3.436 -3.052 1.00 0.00 O ATOM 998 CB ILE A 65 3.722 3.126 -0.346 1.00 0.00 C ATOM 999 CG1 ILE A 65 5.069 2.892 0.366 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.580 3.178 0.688 1.00 0.00 C ATOM 1001 CD1 ILE A 65 5.215 1.525 1.016 1.00 0.00 C ATOM 0 H ILE A 65 5.182 2.618 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 65 3.210 1.116 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 65 3.748 4.084 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.874 3.023 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.198 3.658 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.781 3.968 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.638 3.383 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.513 2.221 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.193 1.451 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.435 1.394 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.122 0.749 0.256 1.00 0.00 H new ATOM 1013 N ALA A 66 1.414 1.584 -2.505 1.00 0.00 N ATOM 1014 CA ALA A 66 0.333 1.809 -3.416 1.00 0.00 C ATOM 1015 C ALA A 66 -0.980 1.909 -2.669 1.00 0.00 C ATOM 1016 O ALA A 66 -1.114 1.402 -1.562 1.00 0.00 O ATOM 1017 CB ALA A 66 0.276 0.674 -4.426 1.00 0.00 C ATOM 0 H ALA A 66 1.335 0.715 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 66 0.501 2.750 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.547 0.845 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.214 0.632 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.120 -0.270 -3.904 1.00 0.00 H new ATOM 1023 N LYS A 67 -1.947 2.552 -3.266 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.238 2.673 -2.668 1.00 0.00 C ATOM 1025 C LYS A 67 -4.275 2.700 -3.745 1.00 0.00 C ATOM 1026 O LYS A 67 -4.057 3.297 -4.797 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.343 3.902 -1.722 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.164 5.292 -2.354 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.152 6.364 -1.258 1.00 0.00 C ATOM 1030 CE LYS A 67 -2.992 7.786 -1.801 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.253 8.367 -2.335 1.00 0.00 N1+ ATOM 0 H LYS A 67 -1.857 3.003 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.410 1.805 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.320 3.874 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.595 3.789 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.233 5.327 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.973 5.488 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.080 6.302 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.338 6.154 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.614 8.429 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.241 7.782 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.043 8.931 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.911 7.600 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.688 8.976 -1.613 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.366 2.050 -3.503 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.433 1.964 -4.468 1.00 0.00 C ATOM 1047 C VAL A 68 -7.695 2.422 -3.806 1.00 0.00 C ATOM 1048 O VAL A 68 -7.925 2.162 -2.615 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.637 0.505 -5.036 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.015 -0.445 -3.930 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.726 0.476 -6.114 1.00 0.00 C ATOM 0 H VAL A 68 -5.551 1.558 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.171 2.595 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.691 0.193 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.151 -1.445 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.223 -0.465 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.944 -0.113 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.843 -0.542 -6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.669 0.817 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.441 1.132 -6.937 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.482 3.125 -4.521 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.740 3.534 -3.993 1.00 0.00 C ATOM 1063 C ASP A 69 -10.718 2.436 -4.305 1.00 0.00 C ATOM 1064 O ASP A 69 -11.013 2.183 -5.474 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.206 4.844 -4.585 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.398 5.376 -3.874 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.419 4.695 -3.857 1.00 0.00 O1- ATOM 1068 OD2 ASP A 69 -11.305 6.473 -3.302 1.00 0.00 O ATOM 0 H ASP A 69 -8.287 3.434 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.656 3.701 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.398 5.573 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.444 4.703 -5.639 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.226 1.818 -3.275 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.061 0.634 -3.371 1.00 0.00 C ATOM 1075 C ALA A 70 -13.481 0.964 -3.788 1.00 0.00 C ATOM 1076 O ALA A 70 -14.260 0.072 -4.142 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.085 -0.059 -2.024 1.00 0.00 C ATOM 0 H ALA A 70 -11.071 2.126 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.636 -0.014 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.710 -0.950 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.071 -0.345 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.492 0.619 -1.273 1.00 0.00 H new ATOM 1083 N THR A 71 -13.820 2.212 -3.751 1.00 0.00 N ATOM 1084 CA THR A 71 -15.171 2.609 -4.045 1.00 0.00 C ATOM 1085 C THR A 71 -15.243 3.415 -5.345 1.00 0.00 C ATOM 1086 O THR A 71 -16.307 3.536 -5.950 1.00 0.00 O ATOM 1087 CB THR A 71 -15.810 3.371 -2.843 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.192 3.678 -3.078 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.066 4.643 -2.544 1.00 0.00 C ATOM 0 H THR A 71 -13.186 2.977 -3.521 1.00 0.00 H new ATOM 0 HA THR A 71 -15.761 1.706 -4.199 1.00 0.00 H new ATOM 0 HB THR A 71 -15.742 2.704 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.599 4.007 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.536 5.150 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.031 4.409 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.091 5.293 -3.419 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.121 3.945 -5.779 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.064 4.655 -7.021 1.00 0.00 C ATOM 1099 C ALA A 72 -13.687 3.663 -8.065 1.00 0.00 C ATOM 1100 O ALA A 72 -13.996 3.808 -9.247 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.047 5.790 -6.962 1.00 0.00 C ATOM 0 H ALA A 72 -13.233 3.893 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.028 5.113 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.027 6.310 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.328 6.490 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.059 5.382 -6.750 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.005 2.645 -7.609 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.609 1.555 -8.423 1.00 0.00 C ATOM 1109 C ASN A 73 -12.949 0.291 -7.677 1.00 0.00 C ATOM 1110 O ASN A 73 -12.213 -0.134 -6.791 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.109 1.587 -8.700 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.606 2.891 -9.246 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.564 3.105 -10.455 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.204 3.760 -8.364 1.00 0.00 N ATOM 0 H ASN A 73 -12.709 2.561 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.125 1.608 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.577 1.365 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.866 0.793 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.836 4.662 -8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.257 3.539 -7.370 1.00 0.00 H new ATOM 1121 N ASP A 74 -14.089 -0.262 -7.978 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.562 -1.456 -7.295 1.00 0.00 C ATOM 1123 C ASP A 74 -13.710 -2.667 -7.629 1.00 0.00 C ATOM 1124 O ASP A 74 -13.355 -2.917 -8.794 1.00 0.00 O ATOM 1125 CB ASP A 74 -16.051 -1.718 -7.557 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.394 -1.859 -9.014 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.438 -0.834 -9.728 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -16.660 -2.978 -9.477 1.00 0.00 O ATOM 0 H ASP A 74 -14.721 0.091 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.458 -1.272 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.348 -2.627 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.634 -0.901 -7.133 1.00 0.00 H new ATOM 1133 N VAL A 75 -13.358 -3.391 -6.595 1.00 0.00 N ATOM 1134 CA VAL A 75 -12.466 -4.520 -6.702 1.00 0.00 C ATOM 1135 C VAL A 75 -13.215 -5.846 -6.478 1.00 0.00 C ATOM 1136 O VAL A 75 -14.228 -5.879 -5.769 1.00 0.00 O ATOM 1137 CB VAL A 75 -11.288 -4.390 -5.685 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.484 -3.121 -5.970 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.809 -4.379 -4.243 1.00 0.00 C ATOM 0 H VAL A 75 -13.686 -3.212 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.059 -4.525 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.636 -5.255 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.665 -3.041 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.079 -3.166 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.133 -2.250 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.970 -4.288 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.484 -3.534 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.344 -5.307 -4.042 1.00 0.00 H new ATOM 1149 N PRO A 76 -12.722 -6.948 -7.082 1.00 0.00 N ATOM 1150 CA PRO A 76 -13.329 -8.298 -6.948 1.00 0.00 C ATOM 1151 C PRO A 76 -12.834 -9.034 -5.688 1.00 0.00 C ATOM 1152 O PRO A 76 -13.220 -10.181 -5.407 1.00 0.00 O ATOM 1153 CB PRO A 76 -12.786 -8.997 -8.188 1.00 0.00 C ATOM 1154 CG PRO A 76 -11.415 -8.435 -8.323 1.00 0.00 C ATOM 1155 CD PRO A 76 -11.552 -6.977 -8.002 1.00 0.00 C ATOM 0 HA PRO A 76 -14.415 -8.270 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.767 -10.080 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.395 -8.788 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.720 -8.924 -7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.027 -8.581 -9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.654 -6.582 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.727 -6.381 -8.898 1.00 0.00 H new ATOM 1163 N ASP A 77 -11.954 -8.385 -4.971 1.00 0.00 N ATOM 1164 CA ASP A 77 -11.390 -8.932 -3.750 1.00 0.00 C ATOM 1165 C ASP A 77 -12.333 -8.664 -2.595 1.00 0.00 C ATOM 1166 O ASP A 77 -13.026 -7.615 -2.578 1.00 0.00 O ATOM 1167 CB ASP A 77 -10.017 -8.309 -3.469 1.00 0.00 C ATOM 1168 CG ASP A 77 -9.295 -8.930 -2.285 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -9.060 -10.156 -2.288 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -8.857 -8.199 -1.384 1.00 0.00 O1- ATOM 0 H ASP A 77 -11.603 -7.458 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.260 -10.008 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.393 -8.410 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.143 -7.242 -3.288 1.00 0.00 H new ATOM 1175 N GLU A 78 -12.414 -9.598 -1.678 1.00 0.00 N ATOM 1176 CA GLU A 78 -13.249 -9.442 -0.529 1.00 0.00 C ATOM 1177 C GLU A 78 -12.520 -8.631 0.517 1.00 0.00 C ATOM 1178 O GLU A 78 -11.351 -8.877 0.821 1.00 0.00 O ATOM 1179 CB GLU A 78 -13.701 -10.794 0.043 1.00 0.00 C ATOM 1180 CG GLU A 78 -14.577 -10.676 1.293 1.00 0.00 C ATOM 1181 CD GLU A 78 -15.889 -9.951 1.051 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -15.879 -8.753 0.680 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -16.956 -10.559 1.231 1.00 0.00 O ATOM 0 H GLU A 78 -11.903 -10.480 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.152 -8.913 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.252 -11.337 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.820 -11.389 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.789 -11.675 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.019 -10.151 2.069 1.00 0.00 H new ATOM 1190 N ILE A 79 -13.213 -7.690 1.053 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.686 -6.792 2.015 1.00 0.00 C ATOM 1192 C ILE A 79 -13.321 -7.061 3.369 1.00 0.00 C ATOM 1193 O ILE A 79 -14.541 -7.165 3.488 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.865 -5.325 1.533 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.945 -5.087 0.317 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.600 -4.327 2.632 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.912 -3.668 -0.188 1.00 0.00 C ATOM 0 H ILE A 79 -14.193 -7.520 0.826 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.614 -6.950 2.131 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.904 -5.175 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.931 -5.386 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.266 -5.739 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.738 -3.317 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.294 -4.499 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.577 -4.443 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.239 -3.602 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.915 -3.366 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.559 -3.008 0.604 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.475 -7.231 4.363 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.890 -7.565 5.726 1.00 0.00 C ATOM 1211 C GLN A 80 -13.629 -6.398 6.361 1.00 0.00 C ATOM 1212 O GLN A 80 -14.580 -6.578 7.130 1.00 0.00 O ATOM 1213 CB GLN A 80 -11.682 -7.952 6.608 1.00 0.00 C ATOM 1214 CG GLN A 80 -10.878 -9.183 6.167 1.00 0.00 C ATOM 1215 CD GLN A 80 -10.100 -9.023 4.859 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.624 -7.826 4.575 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -9.894 -9.989 4.135 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.465 -7.142 4.255 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.558 -8.424 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.004 -7.099 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.042 -8.125 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.175 -9.440 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.562 -10.025 6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.276 -10.902 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.341 -9.881 3.285 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.184 -5.223 6.046 1.00 0.00 N ATOM 1227 CA GLY A 81 -13.828 -4.023 6.530 1.00 0.00 C ATOM 1228 C GLY A 81 -14.346 -3.264 5.352 1.00 0.00 C ATOM 1229 O GLY A 81 -15.078 -3.825 4.535 1.00 0.00 O ATOM 0 H GLY A 81 -12.372 -5.059 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.643 -4.276 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.122 -3.414 7.094 1.00 0.00 H new ATOM 1233 N PHE A 82 -13.991 -2.021 5.237 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.254 -1.302 4.010 1.00 0.00 C ATOM 1235 C PHE A 82 -12.901 -0.984 3.342 1.00 0.00 C ATOM 1236 O PHE A 82 -12.740 -1.212 2.142 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.145 -0.050 4.185 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.713 0.462 2.875 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -14.910 1.125 1.958 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -17.045 0.261 2.564 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -15.426 1.581 0.759 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.572 0.716 1.366 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.759 1.379 0.462 1.00 0.00 C ATOM 0 H PHE A 82 -13.523 -1.480 5.964 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.850 -1.941 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.965 -0.287 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.561 0.741 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.866 1.287 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.683 -0.258 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.787 2.095 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.615 0.554 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.166 1.737 -0.472 1.00 0.00 H new ATOM 1253 N PRO A 83 -11.896 -0.422 4.081 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.549 -0.337 3.576 1.00 0.00 C ATOM 1255 C PRO A 83 -9.774 -1.595 3.932 1.00 0.00 C ATOM 1256 O PRO A 83 -10.218 -2.399 4.773 1.00 0.00 O ATOM 1257 CB PRO A 83 -9.951 0.861 4.307 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.055 1.420 5.142 1.00 0.00 C ATOM 1259 CD PRO A 83 -11.977 0.266 5.378 1.00 0.00 C ATOM 0 HA PRO A 83 -10.516 -0.234 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.106 0.559 4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.580 1.604 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.676 1.822 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.565 2.235 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.646 -0.366 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.992 0.589 5.612 1.00 0.00 H new ATOM 1267 N THR A 84 -8.631 -1.763 3.346 1.00 0.00 N ATOM 1268 CA THR A 84 -7.839 -2.972 3.553 1.00 0.00 C ATOM 1269 C THR A 84 -6.404 -2.751 3.149 1.00 0.00 C ATOM 1270 O THR A 84 -6.135 -2.124 2.164 1.00 0.00 O ATOM 1271 CB THR A 84 -8.439 -4.207 2.766 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.675 -4.601 3.345 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.502 -5.414 2.746 1.00 0.00 C ATOM 0 H THR A 84 -8.208 -1.084 2.713 1.00 0.00 H new ATOM 0 HA THR A 84 -7.875 -3.200 4.618 1.00 0.00 H new ATOM 0 HB THR A 84 -8.580 -3.876 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.871 -4.030 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.969 -6.228 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.564 -5.138 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.304 -5.738 3.768 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.507 -3.239 3.922 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.134 -3.172 3.578 1.00 0.00 C ATOM 1283 C ILE A 85 -3.713 -4.551 3.179 1.00 0.00 C ATOM 1284 O ILE A 85 -4.169 -5.505 3.739 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.260 -2.676 4.747 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.766 -1.320 5.233 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.771 -2.614 4.356 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.868 -0.673 6.232 1.00 0.00 C ATOM 0 H ILE A 85 -5.702 -3.697 4.812 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.001 -2.457 2.766 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.340 -3.392 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.881 -0.656 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.755 -1.447 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.186 -2.260 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.429 -3.608 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.643 -1.930 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.290 0.286 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.772 -1.317 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.885 -0.514 5.789 1.00 0.00 H new ATOM 1300 N LYS A 86 -2.939 -4.645 2.193 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.412 -5.897 1.747 1.00 0.00 C ATOM 1302 C LYS A 86 -1.019 -5.724 1.272 1.00 0.00 C ATOM 1303 O LYS A 86 -0.751 -4.932 0.389 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.261 -6.572 0.664 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.520 -7.266 1.173 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.205 -8.089 0.098 1.00 0.00 C ATOM 1307 CE LYS A 86 -5.678 -7.247 -1.063 1.00 0.00 C ATOM 1308 NZ LYS A 86 -6.305 -8.063 -2.099 1.00 0.00 N1+ ATOM 0 H LYS A 86 -2.630 -3.845 1.641 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.433 -6.563 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.550 -5.821 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.644 -7.306 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.261 -7.913 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.216 -6.517 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.515 -8.850 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.056 -8.613 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.389 -6.501 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.833 -6.705 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.693 -7.445 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.596 -8.700 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.073 -8.626 -1.680 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.138 -6.434 1.865 1.00 0.00 N ATOM 1323 CA LEU A 87 1.231 -6.390 1.473 1.00 0.00 C ATOM 1324 C LEU A 87 1.451 -7.565 0.585 1.00 0.00 C ATOM 1325 O LEU A 87 1.283 -8.693 1.030 1.00 0.00 O ATOM 1326 CB LEU A 87 2.112 -6.440 2.749 1.00 0.00 C ATOM 1327 CG LEU A 87 3.706 -6.373 2.658 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.295 -7.664 2.173 1.00 0.00 C ATOM 1329 CD2 LEU A 87 4.135 -5.267 1.723 1.00 0.00 C ATOM 0 H LEU A 87 -0.338 -7.067 2.639 1.00 0.00 H new ATOM 0 HA LEU A 87 1.493 -5.478 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.795 -5.615 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.862 -7.363 3.273 1.00 0.00 H new ATOM 0 HG LEU A 87 4.071 -6.179 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.380 -7.574 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.027 -8.467 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.907 -7.891 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.223 -5.235 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.731 -5.454 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.761 -4.312 2.093 1.00 0.00 H new ATOM 1341 N TYR A 88 1.707 -7.311 -0.664 1.00 0.00 N ATOM 1342 CA TYR A 88 2.056 -8.353 -1.589 1.00 0.00 C ATOM 1343 C TYR A 88 3.552 -8.380 -1.693 1.00 0.00 C ATOM 1344 O TYR A 88 4.135 -7.530 -2.350 1.00 0.00 O ATOM 1345 CB TYR A 88 1.455 -8.150 -2.990 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.035 -8.344 -3.109 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -0.940 -7.452 -2.553 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.531 -9.432 -3.790 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.300 -7.655 -2.682 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -1.878 -9.643 -3.921 1.00 0.00 C ATOM 1351 CZ TYR A 88 -2.760 -8.760 -3.372 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.111 -9.000 -3.484 1.00 0.00 O ATOM 0 H TYR A 88 1.680 -6.377 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 88 1.649 -9.292 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.697 -7.141 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.946 -8.839 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.577 -6.590 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.158 -10.136 -4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.998 -6.955 -2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.241 -10.507 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.542 -8.241 -3.929 1.00 0.00 H new ATOM 1362 N PRO A 89 4.209 -9.273 -0.963 1.00 0.00 N ATOM 1363 CA PRO A 89 5.634 -9.375 -1.010 1.00 0.00 C ATOM 1364 C PRO A 89 6.098 -9.915 -2.294 1.00 0.00 C ATOM 1365 O PRO A 89 5.348 -10.631 -3.011 1.00 0.00 O ATOM 1366 CB PRO A 89 5.973 -10.438 0.011 1.00 0.00 C ATOM 1367 CG PRO A 89 4.722 -11.164 0.255 1.00 0.00 C ATOM 1368 CD PRO A 89 3.627 -10.216 -0.018 1.00 0.00 C ATOM 0 HA PRO A 89 6.082 -8.395 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.748 -11.107 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.353 -9.992 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.648 -12.038 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.676 -11.524 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.758 -10.720 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.295 -9.716 0.892 1.00 0.00 H new ATOM 1376 N ALA A 90 7.333 -9.702 -2.552 1.00 0.00 N ATOM 1377 CA ALA A 90 7.926 -10.325 -3.656 1.00 0.00 C ATOM 1378 C ALA A 90 8.279 -11.740 -3.235 1.00 0.00 C ATOM 1379 O ALA A 90 9.405 -12.041 -2.831 1.00 0.00 O ATOM 1380 CB ALA A 90 9.161 -9.574 -4.095 1.00 0.00 C ATOM 0 H ALA A 90 7.949 -9.098 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 90 7.241 -10.336 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.606 -10.076 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.889 -8.555 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.881 -9.548 -3.277 1.00 0.00 H new ATOM 1386 N GLY A 91 7.265 -12.563 -3.208 1.00 0.00 N ATOM 1387 CA GLY A 91 7.461 -13.963 -2.968 1.00 0.00 C ATOM 1388 C GLY A 91 6.254 -14.608 -2.346 1.00 0.00 C ATOM 1389 O GLY A 91 6.105 -15.818 -2.402 1.00 0.00 O ATOM 0 H GLY A 91 6.294 -12.285 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.693 -14.462 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.322 -14.100 -2.314 1.00 0.00 H new ATOM 1393 N ALA A 92 5.390 -13.810 -1.746 1.00 0.00 N ATOM 1394 CA ALA A 92 4.187 -14.362 -1.120 1.00 0.00 C ATOM 1395 C ALA A 92 2.964 -13.524 -1.480 1.00 0.00 C ATOM 1396 O ALA A 92 2.050 -13.341 -0.688 1.00 0.00 O ATOM 1397 CB ALA A 92 4.367 -14.498 0.390 1.00 0.00 C ATOM 0 H ALA A 92 5.488 -12.797 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 92 4.022 -15.366 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.458 -14.910 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.205 -15.163 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.566 -13.518 0.822 1.00 0.00 H new ATOM 1403 N LYS A 93 2.934 -13.096 -2.729 1.00 0.00 N ATOM 1404 CA LYS A 93 1.835 -12.293 -3.319 1.00 0.00 C ATOM 1405 C LYS A 93 0.535 -13.129 -3.423 1.00 0.00 C ATOM 1406 O LYS A 93 -0.519 -12.621 -3.789 1.00 0.00 O ATOM 1407 CB LYS A 93 2.248 -11.843 -4.730 1.00 0.00 C ATOM 1408 CG LYS A 93 2.776 -12.988 -5.561 1.00 0.00 C ATOM 1409 CD LYS A 93 3.048 -12.627 -6.996 1.00 0.00 C ATOM 1410 CE LYS A 93 3.862 -13.737 -7.621 1.00 0.00 C ATOM 1411 NZ LYS A 93 4.132 -13.530 -9.062 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.684 -13.293 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 93 1.649 -11.432 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.390 -11.396 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.012 -11.069 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.697 -13.357 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.056 -13.806 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.112 -12.492 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.588 -11.682 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.810 -13.825 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.335 -14.682 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.736 -14.299 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.234 -13.525 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.616 -12.620 -9.197 1.00 0.00 H new ATOM 1425 N GLY A 94 0.639 -14.403 -3.097 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.481 -15.310 -3.144 1.00 0.00 C ATOM 1427 C GLY A 94 -1.228 -15.286 -1.844 1.00 0.00 C ATOM 1428 O GLY A 94 -2.412 -15.607 -1.782 1.00 0.00 O ATOM 0 H GLY A 94 1.510 -14.836 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.149 -15.032 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.130 -16.321 -3.350 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.551 -14.831 -0.811 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.113 -14.691 0.500 1.00 0.00 C ATOM 1434 C GLN A 95 -0.593 -13.417 1.127 1.00 0.00 C ATOM 1435 O GLN A 95 0.279 -13.448 1.997 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.839 -15.882 1.385 1.00 0.00 C ATOM 1437 CG GLN A 95 -1.667 -17.105 1.038 1.00 0.00 C ATOM 1438 CD GLN A 95 -1.320 -18.316 1.882 1.00 0.00 C ATOM 1439 OE1 GLN A 95 -0.178 -18.479 2.321 1.00 0.00 O ATOM 1440 NE2 GLN A 95 -2.284 -19.161 2.124 1.00 0.00 N ATOM 0 H GLN A 95 0.426 -14.544 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.197 -14.638 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.218 -16.139 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.033 -15.605 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.723 -16.870 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.521 -17.349 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.216 -18.994 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.106 -19.989 2.693 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.015 -12.274 0.555 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.695 -10.952 1.044 1.00 0.00 C ATOM 1451 C PRO A 96 -0.944 -10.793 2.523 1.00 0.00 C ATOM 1452 O PRO A 96 -1.706 -11.564 3.127 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.722 -10.083 0.379 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.311 -10.848 -0.735 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.758 -12.204 -0.692 1.00 0.00 C ATOM 0 HA PRO A 96 0.353 -10.727 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.494 -9.791 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.264 -9.165 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.397 -10.876 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.081 -10.372 -1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.549 -12.953 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.110 -12.392 -1.548 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.408 -9.760 3.106 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.665 -9.553 4.463 1.00 0.00 C ATOM 1465 C VAL A 97 -1.862 -8.639 4.538 1.00 0.00 C ATOM 1466 O VAL A 97 -1.733 -7.421 4.398 1.00 0.00 O ATOM 1467 CB VAL A 97 0.548 -8.967 5.180 1.00 0.00 C ATOM 1468 CG1 VAL A 97 0.332 -8.961 6.676 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.789 -9.762 4.811 1.00 0.00 C ATOM 0 H VAL A 97 0.196 -9.072 2.656 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.872 -10.496 4.969 1.00 0.00 H new ATOM 0 HB VAL A 97 0.686 -7.933 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.208 -8.539 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.544 -8.358 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.176 -9.982 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.655 -9.343 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.658 -10.802 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.946 -9.712 3.733 1.00 0.00 H new ATOM 1479 N THR A 98 -3.025 -9.270 4.563 1.00 0.00 N ATOM 1480 CA THR A 98 -4.295 -8.593 4.624 1.00 0.00 C ATOM 1481 C THR A 98 -4.553 -7.999 6.002 1.00 0.00 C ATOM 1482 O THR A 98 -4.477 -8.674 7.045 1.00 0.00 O ATOM 1483 CB THR A 98 -5.482 -9.486 4.117 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.744 -8.811 4.256 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.530 -10.843 4.818 1.00 0.00 C ATOM 0 H THR A 98 -3.106 -10.287 4.541 1.00 0.00 H new ATOM 0 HA THR A 98 -4.238 -7.756 3.928 1.00 0.00 H new ATOM 0 HB THR A 98 -5.298 -9.667 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.463 -9.392 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.369 -11.423 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.601 -11.381 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.655 -10.694 5.891 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.833 -6.748 5.981 1.00 0.00 N ATOM 1494 CA TYR A 99 -5.010 -5.926 7.119 1.00 0.00 C ATOM 1495 C TYR A 99 -6.140 -4.930 6.892 1.00 0.00 C ATOM 1496 O TYR A 99 -6.705 -4.879 5.804 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.708 -5.194 7.321 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.977 -5.655 8.532 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -3.230 -5.093 9.767 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.066 -6.698 8.453 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -2.603 -5.551 10.897 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -1.419 -7.157 9.583 1.00 0.00 C ATOM 1503 CZ TYR A 99 -1.698 -6.580 10.803 1.00 0.00 C ATOM 1504 OH TYR A 99 -1.088 -7.053 11.942 1.00 0.00 O ATOM 0 H TYR A 99 -4.953 -6.237 5.107 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.274 -6.522 7.993 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.076 -5.334 6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.905 -4.125 7.404 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.934 -4.278 9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.860 -7.156 7.497 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.820 -5.105 11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.701 -7.961 9.512 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.476 -7.782 11.707 1.00 0.00 H new ATOM 1514 N SER A 100 -6.470 -4.153 7.901 1.00 0.00 N ATOM 1515 CA SER A 100 -7.457 -3.114 7.747 1.00 0.00 C ATOM 1516 C SER A 100 -6.746 -1.762 7.786 1.00 0.00 C ATOM 1517 O SER A 100 -6.876 -0.965 6.870 1.00 0.00 O ATOM 1518 CB SER A 100 -8.553 -3.215 8.834 1.00 0.00 C ATOM 1519 OG SER A 100 -9.642 -2.337 8.573 1.00 0.00 O ATOM 0 H SER A 100 -6.068 -4.223 8.836 1.00 0.00 H new ATOM 0 HA SER A 100 -7.964 -3.227 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.918 -4.241 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.122 -2.979 9.807 1.00 0.00 H new ATOM 0 HG SER A 100 -10.314 -2.431 9.280 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.959 -1.532 8.830 1.00 0.00 N ATOM 1526 CA GLY A 101 -5.212 -0.303 8.931 1.00 0.00 C ATOM 1527 C GLY A 101 -4.775 -0.031 10.346 1.00 0.00 C ATOM 1528 O GLY A 101 -5.538 -0.252 11.279 1.00 0.00 O ATOM 0 H GLY A 101 -5.828 -2.179 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.337 -0.355 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.824 0.525 8.574 1.00 0.00 H new ATOM 1532 N SER A 102 -3.534 0.401 10.519 1.00 0.00 N ATOM 1533 CA SER A 102 -3.029 0.731 11.841 1.00 0.00 C ATOM 1534 C SER A 102 -2.851 2.250 12.036 1.00 0.00 C ATOM 1535 O SER A 102 -2.549 2.707 13.130 1.00 0.00 O ATOM 1536 CB SER A 102 -1.730 -0.029 12.111 1.00 0.00 C ATOM 1537 OG SER A 102 -0.824 0.095 11.016 1.00 0.00 O ATOM 0 H SER A 102 -2.862 0.530 9.763 1.00 0.00 H new ATOM 0 HA SER A 102 -3.773 0.416 12.572 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.263 0.354 13.018 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.951 -1.082 12.286 1.00 0.00 H new ATOM 0 HG SER A 102 -0.189 -0.651 11.031 1.00 0.00 H new ATOM 1543 N ARG A 103 -3.018 3.017 10.941 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.916 4.513 10.944 1.00 0.00 C ATOM 1545 C ARG A 103 -1.479 5.003 11.266 1.00 0.00 C ATOM 1546 O ARG A 103 -1.212 6.193 11.382 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.939 5.138 11.927 1.00 0.00 C ATOM 1548 CG ARG A 103 -4.097 6.641 11.783 1.00 0.00 C ATOM 1549 CD ARG A 103 -4.900 7.258 12.907 1.00 0.00 C ATOM 1550 NE ARG A 103 -4.213 7.163 14.186 1.00 0.00 N ATOM 1551 CZ ARG A 103 -3.772 8.211 14.895 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -3.849 9.451 14.393 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -3.225 8.014 16.084 1.00 0.00 N ATOM 0 H ARG A 103 -3.228 2.628 10.022 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.154 4.848 9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.909 4.665 11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.631 4.912 12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.111 7.104 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.583 6.861 10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.097 8.305 12.679 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.867 6.760 12.977 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.056 6.232 14.571 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.245 9.602 13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.511 10.244 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.141 7.068 16.456 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.888 8.808 16.628 1.00 0.00 H new ATOM 1567 N THR A 104 -0.571 4.106 11.315 1.00 0.00 N ATOM 1568 CA THR A 104 0.765 4.438 11.728 1.00 0.00 C ATOM 1569 C THR A 104 1.810 4.063 10.688 1.00 0.00 C ATOM 1570 O THR A 104 1.656 3.093 9.935 1.00 0.00 O ATOM 1571 CB THR A 104 1.110 3.854 13.140 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.480 4.103 13.479 1.00 0.00 O ATOM 1573 CG2 THR A 104 0.847 2.375 13.208 1.00 0.00 C ATOM 0 H THR A 104 -0.715 3.125 11.075 1.00 0.00 H new ATOM 0 HA THR A 104 0.794 5.524 11.817 1.00 0.00 H new ATOM 0 HB THR A 104 0.462 4.359 13.856 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.671 3.731 14.365 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.098 2.006 14.202 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.207 2.183 13.005 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.459 1.862 12.466 1.00 0.00 H new ATOM 1581 N VAL A 105 2.837 4.876 10.647 1.00 0.00 N ATOM 1582 CA VAL A 105 3.977 4.747 9.775 1.00 0.00 C ATOM 1583 C VAL A 105 4.923 3.674 10.305 1.00 0.00 C ATOM 1584 O VAL A 105 5.518 2.921 9.542 1.00 0.00 O ATOM 1585 CB VAL A 105 4.746 6.097 9.745 1.00 0.00 C ATOM 1586 CG1 VAL A 105 5.962 6.014 8.862 1.00 0.00 C ATOM 1587 CG2 VAL A 105 3.841 7.222 9.286 1.00 0.00 C ATOM 0 H VAL A 105 2.903 5.691 11.256 1.00 0.00 H new ATOM 0 HA VAL A 105 3.631 4.475 8.778 1.00 0.00 H new ATOM 0 HB VAL A 105 5.078 6.309 10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.478 6.974 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.633 5.241 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.657 5.766 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.401 8.157 9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.472 7.006 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.998 7.313 9.971 1.00 0.00 H new ATOM 1597 N GLU A 106 5.009 3.598 11.610 1.00 0.00 N ATOM 1598 CA GLU A 106 5.956 2.727 12.316 1.00 0.00 C ATOM 1599 C GLU A 106 5.674 1.298 12.012 1.00 0.00 C ATOM 1600 O GLU A 106 6.566 0.505 11.684 1.00 0.00 O ATOM 1601 CB GLU A 106 5.827 2.976 13.796 1.00 0.00 C ATOM 1602 CG GLU A 106 5.865 4.433 14.082 1.00 0.00 C ATOM 1603 CD GLU A 106 6.008 4.761 15.530 1.00 0.00 C ATOM 1604 OE1 GLU A 106 7.096 4.555 16.087 1.00 0.00 O1- ATOM 1605 OE2 GLU A 106 5.042 5.266 16.133 1.00 0.00 O ATOM 0 H GLU A 106 4.418 4.145 12.236 1.00 0.00 H new ATOM 0 HA GLU A 106 6.971 2.949 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.892 2.551 14.162 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.635 2.474 14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.695 4.879 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.951 4.891 13.704 1.00 0.00 H new ATOM 1612 N ASP A 107 4.424 1.010 12.045 1.00 0.00 N ATOM 1613 CA ASP A 107 3.923 -0.345 11.784 1.00 0.00 C ATOM 1614 C ASP A 107 4.118 -0.696 10.328 1.00 0.00 C ATOM 1615 O ASP A 107 4.338 -1.830 9.987 1.00 0.00 O ATOM 1616 CB ASP A 107 2.454 -0.484 12.185 1.00 0.00 C ATOM 1617 CG ASP A 107 1.862 -1.859 11.920 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.362 -2.873 12.475 1.00 0.00 O ATOM 1619 OD2 ASP A 107 0.838 -1.937 11.201 1.00 0.00 O1- ATOM 0 H ASP A 107 3.693 1.691 12.252 1.00 0.00 H new ATOM 0 HA ASP A 107 4.494 -1.044 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.356 -0.257 13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.870 0.261 11.645 1.00 0.00 H new ATOM 1624 N LEU A 108 4.104 0.317 9.481 1.00 0.00 N ATOM 1625 CA LEU A 108 4.311 0.135 8.047 1.00 0.00 C ATOM 1626 C LEU A 108 5.706 -0.267 7.732 1.00 0.00 C ATOM 1627 O LEU A 108 5.921 -1.166 6.945 1.00 0.00 O ATOM 1628 CB LEU A 108 3.972 1.377 7.278 1.00 0.00 C ATOM 1629 CG LEU A 108 2.508 1.645 7.062 1.00 0.00 C ATOM 1630 CD1 LEU A 108 2.332 2.945 6.306 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.882 0.483 6.300 1.00 0.00 C ATOM 0 H LEU A 108 3.950 1.286 9.761 1.00 0.00 H new ATOM 0 HA LEU A 108 3.639 -0.668 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.403 2.231 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.457 1.320 6.304 1.00 0.00 H new ATOM 0 HG LEU A 108 2.006 1.737 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.270 3.135 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.767 3.762 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.832 2.875 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.821 0.679 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.376 0.373 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.001 -0.435 6.875 1.00 0.00 H new ATOM 1643 N ILE A 109 6.637 0.406 8.325 1.00 0.00 N ATOM 1644 CA ILE A 109 8.042 0.080 8.180 1.00 0.00 C ATOM 1645 C ILE A 109 8.244 -1.404 8.573 1.00 0.00 C ATOM 1646 O ILE A 109 8.634 -2.250 7.757 1.00 0.00 O ATOM 1647 CB ILE A 109 8.824 1.003 9.126 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.582 2.465 8.727 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.317 0.678 9.126 1.00 0.00 C ATOM 1650 CD1 ILE A 109 8.928 3.464 9.797 1.00 0.00 C ATOM 0 H ILE A 109 6.456 1.206 8.931 1.00 0.00 H new ATOM 0 HA ILE A 109 8.390 0.220 7.156 1.00 0.00 H new ATOM 0 HB ILE A 109 8.464 0.842 10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.168 2.688 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.533 2.587 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.836 1.352 9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.465 -0.352 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.716 0.801 8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.727 4.472 9.433 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.324 3.272 10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.984 3.374 10.051 1.00 0.00 H new ATOM 1662 N LYS A 110 7.777 -1.716 9.767 1.00 0.00 N ATOM 1663 CA LYS A 110 7.869 -3.021 10.377 1.00 0.00 C ATOM 1664 C LYS A 110 7.099 -4.036 9.540 1.00 0.00 C ATOM 1665 O LYS A 110 7.444 -5.198 9.482 1.00 0.00 O ATOM 1666 CB LYS A 110 7.256 -2.877 11.774 1.00 0.00 C ATOM 1667 CG LYS A 110 7.340 -4.069 12.703 1.00 0.00 C ATOM 1668 CD LYS A 110 8.772 -4.477 12.974 1.00 0.00 C ATOM 1669 CE LYS A 110 8.916 -5.085 14.364 1.00 0.00 C ATOM 1670 NZ LYS A 110 7.964 -6.194 14.622 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.304 -1.035 10.360 1.00 0.00 H new ATOM 0 HA LYS A 110 8.898 -3.374 10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.738 -2.033 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.204 -2.618 11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.847 -3.830 13.645 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.801 -4.909 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.096 -5.198 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.424 -3.608 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.934 -5.454 14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.766 -4.306 15.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.854 -6.326 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.041 -5.964 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.329 -7.070 14.197 1.00 0.00 H new ATOM 1684 N PHE A 111 6.132 -3.545 8.805 1.00 0.00 N ATOM 1685 CA PHE A 111 5.253 -4.358 8.049 1.00 0.00 C ATOM 1686 C PHE A 111 6.031 -4.954 6.944 1.00 0.00 C ATOM 1687 O PHE A 111 6.282 -6.121 6.938 1.00 0.00 O ATOM 1688 CB PHE A 111 4.199 -3.496 7.476 1.00 0.00 C ATOM 1689 CG PHE A 111 2.850 -4.083 7.310 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.554 -4.869 6.226 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.859 -3.799 8.226 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.286 -5.370 6.055 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.595 -4.300 8.065 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.311 -5.085 6.974 1.00 0.00 C ATOM 0 H PHE A 111 5.942 -2.546 8.724 1.00 0.00 H new ATOM 0 HA PHE A 111 4.806 -5.135 8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.106 -2.613 8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.539 -3.154 6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.323 -5.096 5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.082 -3.175 9.079 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.059 -5.987 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.174 -4.080 8.791 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.686 -5.479 6.840 1.00 0.00 H new ATOM 1704 N ILE A 112 6.543 -4.111 6.091 1.00 0.00 N ATOM 1705 CA ILE A 112 7.279 -4.555 4.911 1.00 0.00 C ATOM 1706 C ILE A 112 8.630 -5.119 5.363 1.00 0.00 C ATOM 1707 O ILE A 112 9.359 -5.747 4.619 1.00 0.00 O ATOM 1708 CB ILE A 112 7.594 -3.380 3.984 1.00 0.00 C ATOM 1709 CG1 ILE A 112 6.434 -2.424 3.909 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.863 -3.914 2.599 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.862 -0.987 4.043 1.00 0.00 C ATOM 0 H ILE A 112 6.469 -3.098 6.182 1.00 0.00 H new ATOM 0 HA ILE A 112 6.668 -5.292 4.390 1.00 0.00 H new ATOM 0 HB ILE A 112 8.462 -2.851 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.917 -2.559 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.720 -2.662 4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.089 -3.086 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.712 -4.597 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.983 -4.445 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.987 -0.340 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.354 -0.842 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.555 -0.737 3.239 1.00 0.00 H new ATOM 1723 N ALA A 113 8.924 -4.920 6.579 1.00 0.00 N ATOM 1724 CA ALA A 113 10.210 -5.343 7.100 1.00 0.00 C ATOM 1725 C ALA A 113 10.149 -6.735 7.652 1.00 0.00 C ATOM 1726 O ALA A 113 11.176 -7.389 7.813 1.00 0.00 O ATOM 1727 CB ALA A 113 10.753 -4.383 8.116 1.00 0.00 C ATOM 0 H ALA A 113 8.311 -4.468 7.257 1.00 0.00 H new ATOM 0 HA ALA A 113 10.903 -5.347 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.717 -4.742 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.880 -3.402 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.058 -4.306 8.952 1.00 0.00 H new ATOM 1733 N GLU A 114 8.965 -7.189 7.955 1.00 0.00 N ATOM 1734 CA GLU A 114 8.801 -8.542 8.442 1.00 0.00 C ATOM 1735 C GLU A 114 8.109 -9.336 7.394 1.00 0.00 C ATOM 1736 O GLU A 114 8.490 -10.451 7.054 1.00 0.00 O ATOM 1737 CB GLU A 114 7.946 -8.545 9.684 1.00 0.00 C ATOM 1738 CG GLU A 114 8.473 -7.691 10.774 1.00 0.00 C ATOM 1739 CD GLU A 114 7.658 -7.819 12.014 1.00 0.00 C ATOM 1740 OE1 GLU A 114 6.544 -7.300 12.059 1.00 0.00 O ATOM 1741 OE2 GLU A 114 8.131 -8.416 12.995 1.00 0.00 O1- ATOM 0 H GLU A 114 8.102 -6.652 7.876 1.00 0.00 H new ATOM 0 HA GLU A 114 9.778 -8.966 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.942 -8.208 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.854 -9.568 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.506 -7.968 10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.482 -6.650 10.450 1.00 0.00 H new ATOM 1748 N ASN A 115 7.128 -8.707 6.853 1.00 0.00 N ATOM 1749 CA ASN A 115 6.247 -9.257 5.891 1.00 0.00 C ATOM 1750 C ASN A 115 6.835 -9.117 4.523 1.00 0.00 C ATOM 1751 O ASN A 115 6.604 -9.950 3.630 1.00 0.00 O ATOM 1752 CB ASN A 115 4.967 -8.461 5.978 1.00 0.00 C ATOM 1753 CG ASN A 115 4.189 -8.660 7.264 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.420 -9.591 7.416 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.366 -7.751 8.180 1.00 0.00 N ATOM 0 H ASN A 115 6.908 -7.738 7.085 1.00 0.00 H new ATOM 0 HA ASN A 115 6.071 -10.316 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.204 -7.402 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.329 -8.730 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.852 -7.806 9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.019 -6.984 8.018 1.00 0.00 H new ATOM 1762 N GLY A 116 7.622 -8.081 4.352 1.00 0.00 N ATOM 1763 CA GLY A 116 8.191 -7.833 3.101 1.00 0.00 C ATOM 1764 C GLY A 116 9.400 -8.667 2.903 1.00 0.00 C ATOM 1765 O GLY A 116 10.096 -8.985 3.868 1.00 0.00 O ATOM 0 H GLY A 116 7.867 -7.411 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.464 -8.045 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.453 -6.778 3.017 1.00 0.00 H new ATOM 1769 N LYS A 117 9.675 -9.025 1.693 1.00 0.00 N ATOM 1770 CA LYS A 117 10.797 -9.884 1.403 1.00 0.00 C ATOM 1771 C LYS A 117 11.991 -9.044 1.167 1.00 0.00 C ATOM 1772 O LYS A 117 13.140 -9.492 1.258 1.00 0.00 O ATOM 1773 CB LYS A 117 10.491 -10.703 0.192 1.00 0.00 C ATOM 1774 CG LYS A 117 9.283 -11.609 0.395 1.00 0.00 C ATOM 1775 CD LYS A 117 9.563 -12.704 1.416 1.00 0.00 C ATOM 1776 CE LYS A 117 8.288 -13.421 1.843 1.00 0.00 C ATOM 1777 NZ LYS A 117 7.444 -12.583 2.737 1.00 0.00 N1+ ATOM 0 H LYS A 117 9.138 -8.738 0.875 1.00 0.00 H new ATOM 0 HA LYS A 117 10.988 -10.554 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.307 -10.041 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.360 -11.311 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.433 -11.013 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.004 -12.062 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.261 -13.426 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.046 -12.270 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.714 -13.696 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.548 -14.347 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.527 -12.926 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.763 -11.594 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.451 -12.642 2.433 1.00 0.00 H new ATOM 1791 N TYR A 118 11.719 -7.825 0.862 1.00 0.00 N ATOM 1792 CA TYR A 118 12.701 -6.859 0.654 1.00 0.00 C ATOM 1793 C TYR A 118 13.138 -6.220 1.954 1.00 0.00 C ATOM 1794 O TYR A 118 14.048 -5.375 1.955 1.00 0.00 O ATOM 1795 CB TYR A 118 12.217 -5.843 -0.335 1.00 0.00 C ATOM 1796 CG TYR A 118 12.475 -6.247 -1.757 1.00 0.00 C ATOM 1797 CD1 TYR A 118 11.614 -7.090 -2.435 1.00 0.00 C ATOM 1798 CD2 TYR A 118 13.608 -5.807 -2.414 1.00 0.00 C ATOM 1799 CE1 TYR A 118 11.881 -7.474 -3.731 1.00 0.00 C ATOM 1800 CE2 TYR A 118 13.879 -6.187 -3.698 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.016 -7.021 -4.353 1.00 0.00 C ATOM 1802 OH TYR A 118 13.294 -7.414 -5.645 1.00 0.00 O ATOM 0 H TYR A 118 10.767 -7.475 0.750 1.00 0.00 H new ATOM 0 HA TYR A 118 13.584 -7.345 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.147 -5.687 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.707 -4.889 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 118 10.723 -7.451 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 118 14.294 -5.149 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 118 11.200 -8.129 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 118 14.770 -5.830 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 118 12.457 -7.507 -6.146 1.00 0.00 H new ATOM 1812 N LYS A 119 12.437 -6.599 3.055 1.00 0.00 N ATOM 1813 CA LYS A 119 12.782 -6.219 4.422 1.00 0.00 C ATOM 1814 C LYS A 119 13.036 -4.720 4.521 1.00 0.00 C ATOM 1815 O LYS A 119 14.098 -4.273 4.999 1.00 0.00 O ATOM 1816 CB LYS A 119 14.015 -7.006 4.891 1.00 0.00 C ATOM 1817 CG LYS A 119 13.900 -8.526 4.751 1.00 0.00 C ATOM 1818 CD LYS A 119 12.735 -9.087 5.549 1.00 0.00 C ATOM 1819 CE LYS A 119 12.606 -10.591 5.380 1.00 0.00 C ATOM 1820 NZ LYS A 119 13.769 -11.312 5.916 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.605 -7.187 3.001 1.00 0.00 H new ATOM 0 HA LYS A 119 11.941 -6.461 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.882 -6.668 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.206 -6.765 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.776 -8.784 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.827 -8.992 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.870 -8.850 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.811 -8.605 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.703 -10.935 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.490 -10.827 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.573 -12.333 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.600 -11.120 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.958 -10.993 6.888 1.00 0.00 H new ATOM 1834 N ALA A 120 12.089 -3.958 4.044 1.00 0.00 N ATOM 1835 CA ALA A 120 12.229 -2.523 3.978 1.00 0.00 C ATOM 1836 C ALA A 120 12.059 -1.839 5.324 1.00 0.00 C ATOM 1837 O ALA A 120 10.953 -1.558 5.760 1.00 0.00 O ATOM 1838 CB ALA A 120 11.295 -1.944 2.960 1.00 0.00 C ATOM 0 H ALA A 120 11.200 -4.310 3.690 1.00 0.00 H new ATOM 0 HA ALA A 120 13.256 -2.329 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.418 -0.861 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.519 -2.364 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.267 -2.184 3.231 1.00 0.00 H new ATOM 1844 N ALA A 121 13.164 -1.641 5.975 1.00 0.00 N ATOM 1845 CA ALA A 121 13.257 -0.926 7.207 1.00 0.00 C ATOM 1846 C ALA A 121 14.595 -0.254 7.226 1.00 0.00 C ATOM 1847 O ALA A 121 15.633 -0.977 7.129 1.00 0.00 O ATOM 1848 CB ALA A 121 13.122 -1.849 8.401 1.00 0.00 C ATOM 1849 OXT ALA A 121 14.653 0.976 7.346 1.00 0.00 O ATOM 0 H ALA A 121 14.064 -1.990 5.646 1.00 0.00 H new ATOM 0 HA ALA A 121 12.446 -0.201 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.198 -1.268 9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.154 -2.349 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.917 -2.595 8.376 1.00 0.00 H new