USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 53 TYR OH : rot 62:sc= 1.26 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.544 X(o=1.9,f=1.8) USER MOD Set 1.3: A 114 LYS NZ :NH3+ -173:sc= 1.15 (180deg=0.925) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0097 (180deg=-0.195) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 2.44 (180deg=2.18) USER MOD Single : A 52 THR OG1 : rot 126:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 4:sc= 0.561 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.51 F(o=-1.5,f=-0.51) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 2.29 (180deg=2.28) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 71 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.062) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.18) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -116:sc= -1.12 (180deg=-3.56!) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.13) USER MOD Single : A 79 SER OG : rot -70:sc= -0.4 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0142 F(o=-1.8,f=-0.014) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= -0.0938 (180deg=-0.0938) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.04) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1.24 K(o=1.2,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -178:sc= 0.797 (180deg=0.767) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.177 F(o=-2.3!,f=-0.18) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.251 F(o=-1,f=-0.25) USER MOD Single : B 152 THR OG1 : rot 45:sc= 0.0795 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -12.081 -7.104 -4.033 1.00 0.96 N ATOM 117 CA TRP A 44 -10.750 -6.556 -3.907 1.00 0.76 C ATOM 118 C TRP A 44 -9.828 -7.233 -4.915 1.00 0.61 C ATOM 119 O TRP A 44 -9.569 -8.436 -4.822 1.00 0.62 O ATOM 120 CB TRP A 44 -10.221 -6.727 -2.482 1.00 0.89 C ATOM 121 CG TRP A 44 -9.314 -5.608 -2.059 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.376 -4.312 -2.480 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.234 -5.667 -1.118 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.386 -3.571 -1.884 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.678 -4.377 -1.038 1.00 0.53 C ATOM 126 CE3 TRP A 44 -7.678 -6.690 -0.343 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.596 -4.081 -0.212 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.611 -6.391 0.480 1.00 0.77 C ATOM 129 CH2 TRP A 44 -6.079 -5.100 0.540 1.00 0.69 C ATOM 0 HA TRP A 44 -10.784 -5.487 -4.117 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.063 -6.787 -1.792 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -9.682 -7.672 -2.410 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -10.100 -3.925 -3.181 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -8.208 -2.580 -2.046 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.075 -7.693 -0.388 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -6.181 -3.085 -0.167 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.179 -7.170 1.090 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -5.242 -4.903 1.194 1.00 0.69 H new ATOM 140 N VAL A 45 -9.371 -6.466 -5.896 1.00 0.60 N ATOM 141 CA VAL A 45 -8.507 -6.982 -6.950 1.00 0.57 C ATOM 142 C VAL A 45 -7.220 -7.552 -6.363 1.00 0.54 C ATOM 143 O VAL A 45 -6.701 -8.565 -6.827 1.00 0.67 O ATOM 144 CB VAL A 45 -8.161 -5.872 -7.964 1.00 0.67 C ATOM 145 CG1 VAL A 45 -7.423 -6.442 -9.161 1.00 1.01 C ATOM 146 CG2 VAL A 45 -9.418 -5.139 -8.410 1.00 1.33 C ATOM 0 H VAL A 45 -9.587 -5.473 -5.984 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.047 -7.778 -7.463 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.504 -5.157 -7.469 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -7.191 -5.639 -9.861 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -6.498 -6.912 -8.828 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -8.050 -7.184 -9.655 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -9.151 -4.361 -9.125 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -10.103 -5.844 -8.881 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -9.902 -4.686 -7.544 1.00 1.33 H new ATOM 156 N VAL A 46 -6.726 -6.902 -5.322 1.00 0.43 N ATOM 157 CA VAL A 46 -5.508 -7.334 -4.654 1.00 0.40 C ATOM 158 C VAL A 46 -5.788 -8.540 -3.758 1.00 0.46 C ATOM 159 O VAL A 46 -4.879 -9.284 -3.392 1.00 0.53 O ATOM 160 CB VAL A 46 -4.907 -6.187 -3.814 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.568 -6.594 -3.213 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.756 -4.936 -4.666 1.00 0.41 C ATOM 0 H VAL A 46 -7.153 -6.068 -4.919 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.788 -7.620 -5.420 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.589 -5.969 -2.992 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.166 -5.768 -2.626 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.707 -7.463 -2.569 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -2.871 -6.843 -4.013 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.331 -4.134 -4.063 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.095 -5.146 -5.507 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.733 -4.630 -5.040 1.00 0.41 H new ATOM 172 N GLY A 47 -7.066 -8.753 -3.453 1.00 0.51 N ATOM 173 CA GLY A 47 -7.461 -9.817 -2.545 1.00 0.59 C ATOM 174 C GLY A 47 -7.183 -11.203 -3.099 1.00 0.65 C ATOM 175 O GLY A 47 -7.184 -12.183 -2.353 1.00 0.78 O ATOM 0 H GLY A 47 -7.841 -8.202 -3.822 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -6.931 -9.696 -1.600 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.525 -9.725 -2.328 1.00 0.59 H new ATOM 179 N LYS A 48 -6.923 -11.283 -4.400 1.00 0.66 N ATOM 180 CA LYS A 48 -6.635 -12.562 -5.041 1.00 0.79 C ATOM 181 C LYS A 48 -5.236 -13.030 -4.660 1.00 0.73 C ATOM 182 O LYS A 48 -4.942 -14.224 -4.668 1.00 0.86 O ATOM 183 CB LYS A 48 -6.719 -12.448 -6.567 1.00 0.94 C ATOM 184 CG LYS A 48 -7.947 -11.722 -7.096 1.00 1.18 C ATOM 185 CD LYS A 48 -9.242 -12.307 -6.563 1.00 1.81 C ATOM 186 CE LYS A 48 -10.445 -11.780 -7.328 1.00 2.64 C ATOM 187 NZ LYS A 48 -10.409 -10.300 -7.495 1.00 3.22 N ATOM 0 H LYS A 48 -6.906 -10.481 -5.030 1.00 0.66 H new ATOM 0 HA LYS A 48 -7.379 -13.281 -4.699 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -5.829 -11.932 -6.926 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -6.699 -13.452 -6.992 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -7.888 -10.668 -6.823 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -7.952 -11.769 -8.185 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -9.210 -13.394 -6.637 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -9.346 -12.062 -5.506 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -10.483 -12.253 -8.309 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -11.358 -12.061 -6.803 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -11.356 -9.957 -7.755 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -10.113 -9.857 -6.602 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -9.733 -10.052 -8.245 1.00 3.22 H new ATOM 201 N ASP A 49 -4.377 -12.081 -4.322 1.00 0.61 N ATOM 202 CA ASP A 49 -2.994 -12.389 -3.996 1.00 0.65 C ATOM 203 C ASP A 49 -2.618 -11.701 -2.686 1.00 0.53 C ATOM 204 O ASP A 49 -1.466 -11.340 -2.453 1.00 0.60 O ATOM 205 CB ASP A 49 -2.103 -11.908 -5.152 1.00 0.80 C ATOM 206 CG ASP A 49 -0.689 -12.453 -5.099 1.00 1.61 C ATOM 207 OD1 ASP A 49 -0.521 -13.650 -4.789 1.00 2.39 O ATOM 208 OD2 ASP A 49 0.258 -11.683 -5.382 1.00 1.93 O ATOM 0 H ASP A 49 -4.614 -11.090 -4.266 1.00 0.61 H new ATOM 0 HA ASP A 49 -2.856 -13.462 -3.866 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.560 -12.200 -6.097 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.064 -10.819 -5.140 1.00 0.80 H new ATOM 213 N LYS A 50 -3.602 -11.591 -1.798 1.00 0.43 N ATOM 214 CA LYS A 50 -3.408 -10.916 -0.516 1.00 0.39 C ATOM 215 C LYS A 50 -2.697 -11.826 0.490 1.00 0.32 C ATOM 216 O LYS A 50 -1.767 -11.379 1.155 1.00 0.29 O ATOM 217 CB LYS A 50 -4.743 -10.434 0.069 1.00 0.50 C ATOM 218 CG LYS A 50 -4.629 -9.151 0.883 1.00 0.74 C ATOM 219 CD LYS A 50 -5.188 -9.298 2.294 1.00 0.72 C ATOM 220 CE LYS A 50 -4.154 -9.863 3.257 1.00 0.80 C ATOM 221 NZ LYS A 50 -4.689 -10.001 4.641 1.00 1.17 N ATOM 0 H LYS A 50 -4.542 -11.960 -1.941 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.778 -10.047 -0.704 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.450 -10.275 -0.745 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.157 -11.219 0.702 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.582 -8.854 0.941 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -5.160 -8.350 0.368 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -5.526 -8.326 2.654 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.060 -9.952 2.273 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -3.821 -10.837 2.899 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -3.279 -9.213 3.271 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -3.940 -10.357 5.269 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -5.014 -9.074 4.982 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -5.486 -10.669 4.640 1.00 1.17 H new ATOM 235 N PRO A 51 -3.117 -13.111 0.636 1.00 0.34 N ATOM 236 CA PRO A 51 -2.455 -14.060 1.550 1.00 0.33 C ATOM 237 C PRO A 51 -0.956 -14.186 1.285 1.00 0.29 C ATOM 238 O PRO A 51 -0.189 -14.542 2.178 1.00 0.29 O ATOM 239 CB PRO A 51 -3.158 -15.390 1.262 1.00 0.45 C ATOM 240 CG PRO A 51 -4.495 -15.003 0.744 1.00 0.65 C ATOM 241 CD PRO A 51 -4.274 -13.741 -0.038 1.00 0.44 C ATOM 0 HA PRO A 51 -2.533 -13.735 2.588 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.605 -15.980 0.531 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.243 -15.997 2.163 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -4.913 -15.787 0.113 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.200 -14.841 1.560 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.062 -13.951 -1.086 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.152 -13.096 -0.014 1.00 0.44 H new ATOM 249 N THR A 52 -0.541 -13.888 0.059 1.00 0.29 N ATOM 250 CA THR A 52 0.868 -13.916 -0.294 1.00 0.28 C ATOM 251 C THR A 52 1.606 -12.763 0.387 1.00 0.25 C ATOM 252 O THR A 52 2.651 -12.951 1.022 1.00 0.25 O ATOM 253 CB THR A 52 1.044 -13.813 -1.820 1.00 0.33 C ATOM 254 OG1 THR A 52 0.129 -14.703 -2.471 1.00 0.45 O ATOM 255 CG2 THR A 52 2.465 -14.159 -2.233 1.00 0.40 C ATOM 0 H THR A 52 -1.163 -13.624 -0.705 1.00 0.29 H new ATOM 0 HA THR A 52 1.288 -14.862 0.047 1.00 0.28 H new ATOM 0 HB THR A 52 0.839 -12.785 -2.118 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.403 -14.204 -3.126 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.559 -14.078 -3.316 1.00 0.40 H new ATOM 0 HG22 THR A 52 3.161 -13.469 -1.755 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.696 -15.179 -1.924 1.00 0.40 H new ATOM 263 N TYR A 53 1.022 -11.574 0.305 1.00 0.25 N ATOM 264 CA TYR A 53 1.616 -10.401 0.931 1.00 0.25 C ATOM 265 C TYR A 53 1.397 -10.468 2.438 1.00 0.22 C ATOM 266 O TYR A 53 2.128 -9.858 3.211 1.00 0.21 O ATOM 267 CB TYR A 53 0.999 -9.102 0.386 1.00 0.28 C ATOM 268 CG TYR A 53 0.779 -9.082 -1.116 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.700 -9.644 -1.994 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.359 -8.494 -1.653 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.487 -9.622 -3.359 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.576 -8.465 -3.014 1.00 0.59 C ATOM 273 CZ TYR A 53 0.344 -9.031 -3.864 1.00 0.56 C ATOM 274 OH TYR A 53 0.120 -9.011 -5.224 1.00 0.70 O ATOM 0 H TYR A 53 0.145 -11.398 -0.185 1.00 0.25 H new ATOM 0 HA TYR A 53 2.682 -10.396 0.702 1.00 0.25 H new ATOM 0 HB2 TYR A 53 0.042 -8.935 0.881 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.647 -8.268 0.655 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.595 -10.105 -1.603 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.088 -8.051 -0.991 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.210 -10.064 -4.028 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -1.466 -7.999 -3.411 1.00 0.59 H new ATOM 0 HH TYR A 53 0.041 -9.930 -5.556 1.00 0.70 H new ATOM 284 N ASP A 54 0.388 -11.240 2.835 1.00 0.23 N ATOM 285 CA ASP A 54 0.082 -11.465 4.244 1.00 0.24 C ATOM 286 C ASP A 54 1.130 -12.399 4.841 1.00 0.21 C ATOM 287 O ASP A 54 1.578 -12.216 5.973 1.00 0.22 O ATOM 288 CB ASP A 54 -1.324 -12.063 4.372 1.00 0.29 C ATOM 289 CG ASP A 54 -1.905 -11.962 5.772 1.00 0.50 C ATOM 290 OD1 ASP A 54 -2.594 -10.958 6.060 1.00 0.73 O ATOM 291 OD2 ASP A 54 -1.728 -12.904 6.565 1.00 0.63 O ATOM 0 H ASP A 54 -0.238 -11.725 2.192 1.00 0.23 H new ATOM 0 HA ASP A 54 0.105 -10.522 4.790 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -1.990 -11.555 3.674 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.292 -13.112 4.076 1.00 0.29 H new ATOM 296 N GLU A 55 1.528 -13.389 4.046 1.00 0.23 N ATOM 297 CA GLU A 55 2.643 -14.266 4.381 1.00 0.25 C ATOM 298 C GLU A 55 3.879 -13.428 4.684 1.00 0.24 C ATOM 299 O GLU A 55 4.500 -13.564 5.742 1.00 0.30 O ATOM 300 CB GLU A 55 2.927 -15.198 3.200 1.00 0.32 C ATOM 301 CG GLU A 55 4.014 -16.233 3.450 1.00 0.41 C ATOM 302 CD GLU A 55 3.498 -17.466 4.156 1.00 1.13 C ATOM 303 OE1 GLU A 55 2.994 -18.377 3.463 1.00 1.86 O ATOM 304 OE2 GLU A 55 3.598 -17.541 5.396 1.00 1.66 O ATOM 0 H GLU A 55 1.086 -13.604 3.152 1.00 0.23 H new ATOM 0 HA GLU A 55 2.389 -14.860 5.259 1.00 0.25 H new ATOM 0 HB2 GLU A 55 2.006 -15.716 2.935 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.212 -14.594 2.339 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.458 -16.524 2.498 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.807 -15.783 4.047 1.00 0.41 H new ATOM 311 N ILE A 56 4.216 -12.537 3.750 1.00 0.22 N ATOM 312 CA ILE A 56 5.361 -11.646 3.917 1.00 0.24 C ATOM 313 C ILE A 56 5.161 -10.725 5.125 1.00 0.24 C ATOM 314 O ILE A 56 6.085 -10.502 5.909 1.00 0.27 O ATOM 315 CB ILE A 56 5.602 -10.790 2.653 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.753 -11.699 1.431 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.843 -9.918 2.828 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.912 -10.950 0.125 1.00 0.32 C ATOM 0 H ILE A 56 3.712 -12.415 2.872 1.00 0.22 H new ATOM 0 HA ILE A 56 6.236 -12.274 4.083 1.00 0.24 H new ATOM 0 HB ILE A 56 4.744 -10.135 2.501 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.619 -12.345 1.576 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.880 -12.347 1.363 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.998 -9.322 1.929 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.705 -9.256 3.683 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.713 -10.553 2.997 1.00 0.31 H new ATOM 0 HD11 ILE A 56 6.013 -11.663 -0.693 1.00 0.32 H new ATOM 0 HD12 ILE A 56 5.035 -10.325 -0.045 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.802 -10.322 0.172 1.00 0.32 H new ATOM 330 N PHE A 57 3.938 -10.223 5.269 1.00 0.22 N ATOM 331 CA PHE A 57 3.569 -9.327 6.367 1.00 0.23 C ATOM 332 C PHE A 57 3.944 -9.920 7.722 1.00 0.26 C ATOM 333 O PHE A 57 4.477 -9.225 8.588 1.00 0.29 O ATOM 334 CB PHE A 57 2.060 -9.051 6.308 1.00 0.23 C ATOM 335 CG PHE A 57 1.592 -7.956 7.218 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.716 -6.632 6.843 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.012 -8.252 8.439 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.273 -5.622 7.667 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.569 -7.244 9.271 1.00 0.39 C ATOM 340 CZ PHE A 57 0.700 -5.928 8.884 1.00 0.34 C ATOM 0 H PHE A 57 3.171 -10.425 4.627 1.00 0.22 H new ATOM 0 HA PHE A 57 4.121 -8.394 6.254 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.790 -8.795 5.283 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.526 -9.967 6.559 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.166 -6.387 5.892 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.905 -9.282 8.744 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.374 -4.591 7.361 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.121 -7.486 10.223 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.354 -5.137 9.533 1.00 0.34 H new ATOM 350 N TYR A 58 3.687 -11.208 7.898 1.00 0.33 N ATOM 351 CA TYR A 58 3.936 -11.860 9.175 1.00 0.40 C ATOM 352 C TYR A 58 5.390 -12.286 9.322 1.00 0.44 C ATOM 353 O TYR A 58 5.880 -12.442 10.439 1.00 0.62 O ATOM 354 CB TYR A 58 2.997 -13.057 9.356 1.00 0.46 C ATOM 355 CG TYR A 58 1.577 -12.671 9.703 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.871 -11.770 8.919 1.00 0.60 C ATOM 357 CD2 TYR A 58 0.945 -13.201 10.821 1.00 0.77 C ATOM 358 CE1 TYR A 58 -0.419 -11.405 9.234 1.00 0.71 C ATOM 359 CE2 TYR A 58 -0.350 -12.837 11.145 1.00 0.87 C ATOM 360 CZ TYR A 58 -1.024 -11.938 10.346 1.00 0.78 C ATOM 361 OH TYR A 58 -2.307 -11.569 10.661 1.00 0.91 O ATOM 0 H TYR A 58 3.308 -11.820 7.176 1.00 0.33 H new ATOM 0 HA TYR A 58 3.733 -11.133 9.961 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.990 -13.644 8.437 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.391 -13.701 10.142 1.00 0.46 H new ATOM 0 HD1 TYR A 58 1.342 -11.347 8.044 1.00 0.60 H new ATOM 0 HD2 TYR A 58 1.472 -13.907 11.446 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -0.952 -10.703 8.610 1.00 0.71 H new ATOM 0 HE2 TYR A 58 -0.830 -13.254 12.018 1.00 0.87 H new ATOM 0 HH TYR A 58 -2.591 -12.035 11.475 1.00 0.91 H new ATOM 371 N THR A 59 6.093 -12.452 8.213 1.00 0.40 N ATOM 372 CA THR A 59 7.499 -12.818 8.277 1.00 0.45 C ATOM 373 C THR A 59 8.371 -11.604 8.591 1.00 0.48 C ATOM 374 O THR A 59 9.570 -11.734 8.847 1.00 0.56 O ATOM 375 CB THR A 59 7.985 -13.479 6.973 1.00 0.49 C ATOM 376 OG1 THR A 59 7.678 -12.655 5.844 1.00 0.48 O ATOM 377 CG2 THR A 59 7.342 -14.845 6.796 1.00 0.58 C ATOM 0 H THR A 59 5.720 -12.341 7.270 1.00 0.40 H new ATOM 0 HA THR A 59 7.594 -13.545 9.083 1.00 0.45 H new ATOM 0 HB THR A 59 9.066 -13.600 7.040 1.00 0.49 H new ATOM 0 HG1 THR A 59 7.282 -11.813 6.152 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.697 -15.297 5.870 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.609 -15.485 7.637 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.258 -14.734 6.754 1.00 0.58 H new ATOM 385 N LEU A 60 7.755 -10.425 8.595 1.00 0.48 N ATOM 386 CA LEU A 60 8.483 -9.182 8.828 1.00 0.56 C ATOM 387 C LEU A 60 8.260 -8.680 10.251 1.00 0.61 C ATOM 388 O LEU A 60 8.561 -7.530 10.568 1.00 0.71 O ATOM 389 CB LEU A 60 8.049 -8.113 7.821 1.00 0.64 C ATOM 390 CG LEU A 60 8.358 -8.433 6.358 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.879 -7.308 5.456 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.849 -8.666 6.170 1.00 1.17 C ATOM 0 H LEU A 60 6.754 -10.305 8.440 1.00 0.48 H new ATOM 0 HA LEU A 60 9.546 -9.383 8.696 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.975 -7.955 7.923 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.535 -7.173 8.081 1.00 0.64 H new ATOM 0 HG LEU A 60 7.828 -9.345 6.084 1.00 0.42 H new ATOM 0 HD11 LEU A 60 8.107 -7.552 4.418 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.802 -7.182 5.571 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.384 -6.382 5.730 1.00 0.86 H new ATOM 0 HD21 LEU A 60 10.053 -8.893 5.123 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.397 -7.770 6.460 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.168 -9.503 6.791 1.00 1.17 H new ATOM 404 N SER A 61 7.747 -9.567 11.105 1.00 0.59 N ATOM 405 CA SER A 61 7.465 -9.246 12.502 1.00 0.66 C ATOM 406 C SER A 61 6.434 -8.122 12.612 1.00 0.70 C ATOM 407 O SER A 61 6.780 -6.959 12.841 1.00 0.78 O ATOM 408 CB SER A 61 8.753 -8.871 13.240 1.00 0.74 C ATOM 409 OG SER A 61 9.751 -9.867 13.061 1.00 1.14 O ATOM 0 H SER A 61 7.516 -10.526 10.847 1.00 0.59 H new ATOM 0 HA SER A 61 7.044 -10.135 12.972 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.121 -7.913 12.873 1.00 0.74 H new ATOM 0 HB3 SER A 61 8.545 -8.747 14.303 1.00 0.74 H new ATOM 0 HG SER A 61 10.565 -9.605 13.540 1.00 1.14 H new ATOM 415 N PRO A 62 5.149 -8.450 12.425 1.00 0.67 N ATOM 416 CA PRO A 62 4.077 -7.470 12.475 1.00 0.71 C ATOM 417 C PRO A 62 3.577 -7.232 13.899 1.00 0.83 C ATOM 418 O PRO A 62 3.104 -8.151 14.570 1.00 1.10 O ATOM 419 CB PRO A 62 3.005 -8.122 11.603 1.00 0.72 C ATOM 420 CG PRO A 62 3.180 -9.589 11.810 1.00 0.68 C ATOM 421 CD PRO A 62 4.636 -9.808 12.152 1.00 0.65 C ATOM 0 HA PRO A 62 4.382 -6.481 12.133 1.00 0.71 H new ATOM 0 HB2 PRO A 62 2.006 -7.798 11.897 1.00 0.72 H new ATOM 0 HB3 PRO A 62 3.132 -7.853 10.554 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.536 -9.946 12.613 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.906 -10.142 10.912 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.748 -10.459 13.019 1.00 0.65 H new ATOM 0 HD3 PRO A 62 5.173 -10.279 11.328 1.00 0.65 H new ATOM 429 N VAL A 63 3.693 -5.999 14.365 1.00 0.70 N ATOM 430 CA VAL A 63 3.253 -5.655 15.705 1.00 0.79 C ATOM 431 C VAL A 63 1.808 -5.155 15.667 1.00 0.78 C ATOM 432 O VAL A 63 1.443 -4.368 14.801 1.00 0.72 O ATOM 433 CB VAL A 63 4.194 -4.607 16.351 1.00 0.83 C ATOM 434 CG1 VAL A 63 4.208 -3.308 15.556 1.00 1.60 C ATOM 435 CG2 VAL A 63 3.813 -4.361 17.804 1.00 1.66 C ATOM 0 H VAL A 63 4.088 -5.222 13.835 1.00 0.70 H new ATOM 0 HA VAL A 63 3.293 -6.550 16.325 1.00 0.79 H new ATOM 0 HB VAL A 63 5.206 -5.011 16.332 1.00 0.83 H new ATOM 0 HG11 VAL A 63 4.878 -2.595 16.036 1.00 1.60 H new ATOM 0 HG12 VAL A 63 4.555 -3.506 14.542 1.00 1.60 H new ATOM 0 HG13 VAL A 63 3.201 -2.893 15.520 1.00 1.60 H new ATOM 0 HG21 VAL A 63 4.487 -3.622 18.237 1.00 1.66 H new ATOM 0 HG22 VAL A 63 2.789 -3.991 17.854 1.00 1.66 H new ATOM 0 HG23 VAL A 63 3.890 -5.294 18.363 1.00 1.66 H new ATOM 445 N ASN A 64 0.985 -5.679 16.579 1.00 0.92 N ATOM 446 CA ASN A 64 -0.451 -5.355 16.675 1.00 1.00 C ATOM 447 C ASN A 64 -1.167 -5.439 15.319 1.00 0.91 C ATOM 448 O ASN A 64 -2.215 -4.823 15.121 1.00 0.97 O ATOM 449 CB ASN A 64 -0.705 -3.981 17.342 1.00 1.05 C ATOM 450 CG ASN A 64 -0.221 -2.776 16.549 1.00 1.25 C ATOM 451 OD1 ASN A 64 0.939 -2.256 16.916 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 -0.911 -2.284 15.656 1.00 1.61 N flip ATOM 0 H ASN A 64 1.296 -6.349 17.283 1.00 0.92 H new ATOM 0 HA ASN A 64 -0.880 -6.121 17.321 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.775 -3.873 17.519 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -0.218 -3.973 18.317 1.00 1.05 H new ATOM 0 HD21 ASN A 64 -1.800 -2.715 15.402 1.00 1.61 H new ATOM 0 HD22 ASN A 64 -0.594 -1.445 15.170 1.00 1.61 H new ATOM 459 N GLY A 65 -0.624 -6.243 14.410 1.00 0.83 N ATOM 460 CA GLY A 65 -1.244 -6.428 13.110 1.00 0.78 C ATOM 461 C GLY A 65 -0.935 -5.310 12.128 1.00 0.59 C ATOM 462 O GLY A 65 -1.599 -5.184 11.096 1.00 0.59 O ATOM 0 H GLY A 65 0.237 -6.771 14.551 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -0.909 -7.375 12.688 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.324 -6.501 13.238 1.00 0.78 H new ATOM 466 N LYS A 66 0.070 -4.504 12.440 1.00 0.51 N ATOM 467 CA LYS A 66 0.479 -3.409 11.568 1.00 0.40 C ATOM 468 C LYS A 66 2.010 -3.292 11.574 1.00 0.36 C ATOM 469 O LYS A 66 2.620 -3.197 12.636 1.00 0.55 O ATOM 470 CB LYS A 66 -0.155 -2.108 12.073 1.00 0.52 C ATOM 471 CG LYS A 66 -0.157 -0.969 11.069 1.00 0.70 C ATOM 472 CD LYS A 66 -0.398 0.364 11.766 1.00 0.74 C ATOM 473 CE LYS A 66 -1.875 0.643 12.031 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.506 1.377 10.901 1.00 0.97 N ATOM 0 H LYS A 66 0.620 -4.588 13.295 1.00 0.51 H new ATOM 0 HA LYS A 66 0.147 -3.600 10.547 1.00 0.40 H new ATOM 0 HB2 LYS A 66 -1.183 -2.313 12.371 1.00 0.52 H new ATOM 0 HB3 LYS A 66 0.377 -1.784 12.967 1.00 0.52 H new ATOM 0 HG2 LYS A 66 0.796 -0.942 10.541 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -0.931 -1.139 10.321 1.00 0.70 H new ATOM 0 HD2 LYS A 66 0.143 0.375 12.712 1.00 0.74 H new ATOM 0 HD3 LYS A 66 0.013 1.167 11.154 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -2.400 -0.298 12.192 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -1.977 1.226 12.946 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.529 1.460 11.069 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -2.089 2.327 10.828 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.342 0.858 10.015 1.00 0.97 H new ATOM 488 N ILE A 67 2.641 -3.310 10.406 1.00 0.30 N ATOM 489 CA ILE A 67 4.099 -3.246 10.355 1.00 0.29 C ATOM 490 C ILE A 67 4.580 -1.816 10.180 1.00 0.28 C ATOM 491 O ILE A 67 3.928 -1.005 9.518 1.00 0.37 O ATOM 492 CB ILE A 67 4.704 -4.108 9.225 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.175 -3.658 7.861 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.410 -5.580 9.464 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.834 -4.355 6.697 1.00 0.31 C ATOM 0 H ILE A 67 2.179 -3.367 9.498 1.00 0.30 H new ATOM 0 HA ILE A 67 4.440 -3.646 11.310 1.00 0.29 H new ATOM 0 HB ILE A 67 5.786 -3.973 9.228 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.101 -3.838 7.820 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.322 -2.583 7.760 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.843 -6.173 8.659 1.00 0.32 H new ATOM 0 HG22 ILE A 67 4.844 -5.888 10.415 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.332 -5.736 9.490 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.409 -3.986 5.764 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.905 -4.155 6.712 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.665 -5.429 6.773 1.00 0.31 H new ATOM 507 N THR A 68 5.721 -1.509 10.781 1.00 0.28 N ATOM 508 CA THR A 68 6.340 -0.209 10.603 1.00 0.26 C ATOM 509 C THR A 68 7.026 -0.137 9.245 1.00 0.25 C ATOM 510 O THR A 68 7.368 -1.170 8.646 1.00 0.31 O ATOM 511 CB THR A 68 7.348 0.111 11.733 1.00 0.31 C ATOM 512 OG1 THR A 68 7.929 1.405 11.533 1.00 1.31 O ATOM 513 CG2 THR A 68 8.448 -0.937 11.809 1.00 1.12 C ATOM 0 H THR A 68 6.234 -2.143 11.394 1.00 0.28 H new ATOM 0 HA THR A 68 5.551 0.542 10.648 1.00 0.26 H new ATOM 0 HB THR A 68 6.799 0.102 12.675 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.563 1.594 12.256 1.00 1.31 H new ATOM 0 HG21 THR A 68 9.139 -0.682 12.613 1.00 1.12 H new ATOM 0 HG22 THR A 68 8.007 -1.914 12.006 1.00 1.12 H new ATOM 0 HG23 THR A 68 8.988 -0.967 10.863 1.00 1.12 H new ATOM 521 N GLY A 69 7.216 1.085 8.775 1.00 0.24 N ATOM 522 CA GLY A 69 7.769 1.322 7.452 1.00 0.26 C ATOM 523 C GLY A 69 9.154 0.738 7.242 1.00 0.25 C ATOM 524 O GLY A 69 9.595 0.599 6.107 1.00 0.33 O ATOM 0 H GLY A 69 6.993 1.934 9.295 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.093 0.901 6.707 1.00 0.26 H new ATOM 0 HA3 GLY A 69 7.810 2.397 7.275 1.00 0.26 H new ATOM 528 N ALA A 70 9.842 0.398 8.322 1.00 0.23 N ATOM 529 CA ALA A 70 11.179 -0.171 8.229 1.00 0.24 C ATOM 530 C ALA A 70 11.155 -1.497 7.475 1.00 0.22 C ATOM 531 O ALA A 70 11.878 -1.677 6.499 1.00 0.25 O ATOM 532 CB ALA A 70 11.765 -0.360 9.620 1.00 0.27 C ATOM 0 H ALA A 70 9.496 0.506 9.275 1.00 0.23 H new ATOM 0 HA ALA A 70 11.810 0.522 7.672 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.765 -0.786 9.539 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.821 0.604 10.125 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.129 -1.034 10.194 1.00 0.27 H new ATOM 538 N ASN A 71 10.297 -2.409 7.916 1.00 0.29 N ATOM 539 CA ASN A 71 10.211 -3.739 7.315 1.00 0.32 C ATOM 540 C ASN A 71 9.711 -3.634 5.892 1.00 0.24 C ATOM 541 O ASN A 71 10.228 -4.289 4.986 1.00 0.20 O ATOM 542 CB ASN A 71 9.266 -4.642 8.109 1.00 0.48 C ATOM 543 CG ASN A 71 9.553 -4.623 9.595 1.00 0.69 C ATOM 544 OD1 ASN A 71 10.423 -5.338 10.085 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.805 -3.810 10.325 1.00 0.71 N ATOM 0 H ASN A 71 9.649 -2.254 8.688 1.00 0.29 H new ATOM 0 HA ASN A 71 11.210 -4.175 7.327 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.237 -4.325 7.937 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.350 -5.664 7.740 1.00 0.48 H new ATOM 0 HD21 ASN A 71 8.941 -3.761 11.335 1.00 0.71 H new ATOM 0 HD22 ASN A 71 8.093 -3.233 9.878 1.00 0.71 H new ATOM 552 N ALA A 72 8.699 -2.796 5.707 1.00 0.26 N ATOM 553 CA ALA A 72 8.116 -2.581 4.394 1.00 0.26 C ATOM 554 C ALA A 72 9.157 -2.042 3.422 1.00 0.20 C ATOM 555 O ALA A 72 9.328 -2.579 2.332 1.00 0.21 O ATOM 556 CB ALA A 72 6.932 -1.634 4.491 1.00 0.32 C ATOM 0 H ALA A 72 8.265 -2.254 6.454 1.00 0.26 H new ATOM 0 HA ALA A 72 7.763 -3.539 4.013 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.505 -1.482 3.500 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.176 -2.062 5.150 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.264 -0.677 4.894 1.00 0.32 H new ATOM 562 N LYS A 73 9.878 -1.009 3.846 1.00 0.19 N ATOM 563 CA LYS A 73 10.881 -0.374 3.000 1.00 0.17 C ATOM 564 C LYS A 73 11.968 -1.365 2.635 1.00 0.18 C ATOM 565 O LYS A 73 12.437 -1.397 1.500 1.00 0.20 O ATOM 566 CB LYS A 73 11.498 0.841 3.710 1.00 0.19 C ATOM 567 CG LYS A 73 12.665 1.472 2.963 1.00 0.31 C ATOM 568 CD LYS A 73 13.293 2.604 3.758 1.00 0.58 C ATOM 569 CE LYS A 73 14.402 3.282 2.971 1.00 0.91 C ATOM 570 NZ LYS A 73 15.074 4.358 3.749 1.00 1.36 N ATOM 0 H LYS A 73 9.786 -0.593 4.773 1.00 0.19 H new ATOM 0 HA LYS A 73 10.391 -0.034 2.088 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.724 1.595 3.856 1.00 0.19 H new ATOM 0 HB3 LYS A 73 11.837 0.536 4.700 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.418 0.712 2.755 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.320 1.850 2.001 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.529 3.336 4.018 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.694 2.215 4.694 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.140 2.537 2.674 1.00 0.91 H new ATOM 0 HE3 LYS A 73 13.988 3.704 2.055 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 15.925 4.674 3.241 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 14.423 5.160 3.866 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.344 3.993 4.684 1.00 1.36 H new ATOM 584 N LYS A 74 12.358 -2.180 3.604 1.00 0.20 N ATOM 585 CA LYS A 74 13.383 -3.189 3.378 1.00 0.23 C ATOM 586 C LYS A 74 12.922 -4.245 2.368 1.00 0.20 C ATOM 587 O LYS A 74 13.729 -4.790 1.607 1.00 0.22 O ATOM 588 CB LYS A 74 13.803 -3.807 4.709 1.00 0.31 C ATOM 589 CG LYS A 74 14.851 -2.960 5.417 1.00 1.15 C ATOM 590 CD LYS A 74 14.662 -2.920 6.927 1.00 1.35 C ATOM 591 CE LYS A 74 15.093 -4.208 7.606 1.00 1.67 C ATOM 592 NZ LYS A 74 15.054 -4.082 9.088 1.00 2.48 N ATOM 0 H LYS A 74 11.982 -2.163 4.552 1.00 0.20 H new ATOM 0 HA LYS A 74 14.257 -2.709 2.937 1.00 0.23 H new ATOM 0 HB2 LYS A 74 12.929 -3.917 5.351 1.00 0.31 H new ATOM 0 HB3 LYS A 74 14.199 -4.808 4.537 1.00 0.31 H new ATOM 0 HG2 LYS A 74 15.842 -3.354 5.191 1.00 1.15 H new ATOM 0 HG3 LYS A 74 14.815 -1.944 5.025 1.00 1.15 H new ATOM 0 HD2 LYS A 74 15.234 -2.088 7.339 1.00 1.35 H new ATOM 0 HD3 LYS A 74 13.613 -2.728 7.153 1.00 1.35 H new ATOM 0 HE2 LYS A 74 14.440 -5.022 7.292 1.00 1.67 H new ATOM 0 HE3 LYS A 74 16.103 -4.468 7.288 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 15.354 -4.979 9.521 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 15.696 -3.321 9.389 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 14.085 -3.858 9.392 1.00 2.48 H new ATOM 606 N GLU A 75 11.630 -4.513 2.330 1.00 0.21 N ATOM 607 CA GLU A 75 11.079 -5.387 1.307 1.00 0.22 C ATOM 608 C GLU A 75 11.123 -4.676 -0.050 1.00 0.20 C ATOM 609 O GLU A 75 11.500 -5.253 -1.077 1.00 0.24 O ATOM 610 CB GLU A 75 9.640 -5.774 1.667 1.00 0.29 C ATOM 611 CG GLU A 75 9.117 -6.955 0.872 1.00 0.33 C ATOM 612 CD GLU A 75 9.985 -8.185 1.066 1.00 1.30 C ATOM 613 OE1 GLU A 75 10.337 -8.502 2.223 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.355 -8.819 0.060 1.00 1.35 O ATOM 0 H GLU A 75 10.946 -4.142 2.989 1.00 0.21 H new ATOM 0 HA GLU A 75 11.674 -6.298 1.248 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.590 -6.010 2.730 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.988 -4.916 1.500 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.095 -7.178 1.179 1.00 0.33 H new ATOM 0 HG3 GLU A 75 9.083 -6.696 -0.186 1.00 0.33 H new ATOM 621 N MET A 76 10.776 -3.396 -0.027 1.00 0.19 N ATOM 622 CA MET A 76 10.729 -2.577 -1.230 1.00 0.20 C ATOM 623 C MET A 76 12.122 -2.390 -1.826 1.00 0.22 C ATOM 624 O MET A 76 12.275 -2.272 -3.041 1.00 0.29 O ATOM 625 CB MET A 76 10.088 -1.220 -0.919 1.00 0.22 C ATOM 626 CG MET A 76 8.724 -1.342 -0.258 1.00 0.24 C ATOM 627 SD MET A 76 7.872 0.235 -0.070 1.00 0.39 S ATOM 628 CE MET A 76 7.566 0.667 -1.780 1.00 0.51 C ATOM 0 H MET A 76 10.520 -2.897 0.825 1.00 0.19 H new ATOM 0 HA MET A 76 10.118 -3.094 -1.971 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.752 -0.652 -0.267 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.987 -0.652 -1.844 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.102 -2.014 -0.849 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.845 -1.800 0.724 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.112 1.577 -2.029 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.900 -0.145 -2.426 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.499 0.833 -1.928 1.00 0.51 H new ATOM 638 N VAL A 77 13.145 -2.369 -0.977 1.00 0.20 N ATOM 639 CA VAL A 77 14.516 -2.274 -1.468 1.00 0.26 C ATOM 640 C VAL A 77 14.988 -3.619 -2.021 1.00 0.27 C ATOM 641 O VAL A 77 15.829 -3.663 -2.922 1.00 0.32 O ATOM 642 CB VAL A 77 15.509 -1.739 -0.397 1.00 0.37 C ATOM 643 CG1 VAL A 77 15.437 -2.539 0.883 1.00 1.34 C ATOM 644 CG2 VAL A 77 16.936 -1.741 -0.918 1.00 0.96 C ATOM 0 H VAL A 77 13.054 -2.416 0.038 1.00 0.20 H new ATOM 0 HA VAL A 77 14.507 -1.542 -2.276 1.00 0.26 H new ATOM 0 HB VAL A 77 15.212 -0.713 -0.181 1.00 0.37 H new ATOM 0 HG11 VAL A 77 16.146 -2.134 1.606 1.00 1.34 H new ATOM 0 HG12 VAL A 77 14.428 -2.481 1.292 1.00 1.34 H new ATOM 0 HG13 VAL A 77 15.685 -3.580 0.676 1.00 1.34 H new ATOM 0 HG21 VAL A 77 17.606 -1.362 -0.146 1.00 0.96 H new ATOM 0 HG22 VAL A 77 17.226 -2.758 -1.182 1.00 0.96 H new ATOM 0 HG23 VAL A 77 17.002 -1.105 -1.800 1.00 0.96 H new ATOM 654 N LYS A 78 14.429 -4.721 -1.511 1.00 0.27 N ATOM 655 CA LYS A 78 14.688 -6.031 -2.118 1.00 0.32 C ATOM 656 C LYS A 78 14.134 -6.070 -3.534 1.00 0.32 C ATOM 657 O LYS A 78 14.633 -6.798 -4.395 1.00 0.40 O ATOM 658 CB LYS A 78 14.034 -7.154 -1.324 1.00 0.43 C ATOM 659 CG LYS A 78 14.484 -7.260 0.115 1.00 0.59 C ATOM 660 CD LYS A 78 13.653 -8.295 0.845 1.00 0.83 C ATOM 661 CE LYS A 78 13.805 -8.184 2.347 1.00 1.36 C ATOM 662 NZ LYS A 78 12.841 -9.074 3.050 1.00 2.20 N ATOM 0 H LYS A 78 13.810 -4.735 -0.701 1.00 0.27 H new ATOM 0 HA LYS A 78 15.768 -6.176 -2.123 1.00 0.32 H new ATOM 0 HB2 LYS A 78 12.954 -7.011 -1.342 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.239 -8.100 -1.824 1.00 0.43 H new ATOM 0 HG2 LYS A 78 15.538 -7.534 0.155 1.00 0.59 H new ATOM 0 HG3 LYS A 78 14.387 -6.292 0.607 1.00 0.59 H new ATOM 0 HD2 LYS A 78 12.604 -8.173 0.576 1.00 0.83 H new ATOM 0 HD3 LYS A 78 13.951 -9.293 0.523 1.00 0.83 H new ATOM 0 HE2 LYS A 78 14.823 -8.447 2.633 1.00 1.36 H new ATOM 0 HE3 LYS A 78 13.644 -7.151 2.657 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 13.135 -9.190 4.041 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 11.891 -8.651 3.018 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 12.823 -10.003 2.583 1.00 2.20 H new ATOM 676 N SER A 79 13.090 -5.278 -3.764 1.00 0.29 N ATOM 677 CA SER A 79 12.465 -5.186 -5.076 1.00 0.33 C ATOM 678 C SER A 79 13.414 -4.543 -6.095 1.00 0.33 C ATOM 679 O SER A 79 13.314 -4.806 -7.294 1.00 0.42 O ATOM 680 CB SER A 79 11.173 -4.378 -4.970 1.00 0.37 C ATOM 681 OG SER A 79 10.341 -4.878 -3.935 1.00 0.91 O ATOM 0 H SER A 79 12.658 -4.688 -3.052 1.00 0.29 H new ATOM 0 HA SER A 79 12.235 -6.193 -5.424 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.410 -3.332 -4.777 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.639 -4.414 -5.920 1.00 0.37 H new ATOM 0 HG SER A 79 9.981 -5.751 -4.198 1.00 0.91 H new ATOM 687 N LYS A 80 14.330 -3.708 -5.593 1.00 0.31 N ATOM 688 CA LYS A 80 15.343 -3.038 -6.417 1.00 0.35 C ATOM 689 C LYS A 80 14.741 -1.939 -7.293 1.00 0.31 C ATOM 690 O LYS A 80 15.326 -1.551 -8.306 1.00 0.38 O ATOM 691 CB LYS A 80 16.110 -4.040 -7.286 1.00 0.47 C ATOM 692 CG LYS A 80 17.058 -4.931 -6.507 1.00 0.63 C ATOM 693 CD LYS A 80 17.902 -5.776 -7.442 1.00 1.03 C ATOM 694 CE LYS A 80 18.940 -6.572 -6.676 1.00 1.56 C ATOM 695 NZ LYS A 80 19.803 -7.368 -7.581 1.00 2.37 N ATOM 0 H LYS A 80 14.390 -3.477 -4.601 1.00 0.31 H new ATOM 0 HA LYS A 80 16.042 -2.569 -5.724 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.394 -4.666 -7.819 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.678 -3.493 -8.039 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.706 -4.318 -5.880 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.489 -5.578 -5.840 1.00 0.63 H new ATOM 0 HD2 LYS A 80 17.259 -6.455 -8.002 1.00 1.03 H new ATOM 0 HD3 LYS A 80 18.397 -5.133 -8.170 1.00 1.03 H new ATOM 0 HE2 LYS A 80 19.558 -5.893 -6.089 1.00 1.56 H new ATOM 0 HE3 LYS A 80 18.441 -7.237 -5.972 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 20.500 -7.898 -7.019 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 19.216 -8.034 -8.123 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 20.299 -6.731 -8.236 1.00 2.37 H new ATOM 709 N LEU A 81 13.584 -1.427 -6.898 1.00 0.30 N ATOM 710 CA LEU A 81 13.011 -0.266 -7.570 1.00 0.32 C ATOM 711 C LEU A 81 13.588 1.003 -6.953 1.00 0.33 C ATOM 712 O LEU A 81 14.070 0.982 -5.821 1.00 0.35 O ATOM 713 CB LEU A 81 11.475 -0.243 -7.477 1.00 0.35 C ATOM 714 CG LEU A 81 10.722 -1.195 -8.422 1.00 0.47 C ATOM 715 CD1 LEU A 81 11.113 -0.942 -9.873 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.959 -2.649 -8.049 1.00 0.87 C ATOM 0 H LEU A 81 13.028 -1.791 -6.125 1.00 0.30 H new ATOM 0 HA LEU A 81 13.270 -0.325 -8.627 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.190 -0.482 -6.452 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.135 0.774 -7.673 1.00 0.35 H new ATOM 0 HG LEU A 81 9.657 -0.992 -8.313 1.00 0.47 H new ATOM 0 HD11 LEU A 81 10.567 -1.627 -10.522 1.00 1.35 H new ATOM 0 HD12 LEU A 81 10.868 0.085 -10.142 1.00 1.35 H new ATOM 0 HD13 LEU A 81 12.184 -1.103 -9.995 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.413 -3.295 -8.737 1.00 0.87 H new ATOM 0 HD22 LEU A 81 12.024 -2.872 -8.111 1.00 0.87 H new ATOM 0 HD23 LEU A 81 10.610 -2.825 -7.031 1.00 0.87 H new ATOM 728 N PRO A 82 13.548 2.124 -7.681 1.00 0.34 N ATOM 729 CA PRO A 82 14.107 3.381 -7.209 1.00 0.38 C ATOM 730 C PRO A 82 13.212 4.040 -6.171 1.00 0.35 C ATOM 731 O PRO A 82 12.018 3.736 -6.084 1.00 0.35 O ATOM 732 CB PRO A 82 14.194 4.258 -8.466 1.00 0.41 C ATOM 733 CG PRO A 82 13.637 3.450 -9.595 1.00 0.44 C ATOM 734 CD PRO A 82 12.937 2.263 -9.005 1.00 0.36 C ATOM 0 HA PRO A 82 15.072 3.233 -6.724 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.628 5.180 -8.334 1.00 0.41 H new ATOM 0 HB3 PRO A 82 15.226 4.544 -8.667 1.00 0.41 H new ATOM 0 HG2 PRO A 82 12.944 4.047 -10.187 1.00 0.44 H new ATOM 0 HG3 PRO A 82 14.434 3.129 -10.265 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.862 2.426 -8.935 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.085 1.369 -9.610 1.00 0.36 H new ATOM 742 N ASN A 83 13.782 4.956 -5.400 1.00 0.35 N ATOM 743 CA ASN A 83 13.042 5.654 -4.354 1.00 0.37 C ATOM 744 C ASN A 83 11.911 6.468 -4.963 1.00 0.33 C ATOM 745 O ASN A 83 10.928 6.782 -4.296 1.00 0.34 O ATOM 746 CB ASN A 83 13.970 6.565 -3.542 1.00 0.47 C ATOM 747 CG ASN A 83 15.051 5.797 -2.799 1.00 1.11 C ATOM 748 OD1 ASN A 83 14.744 4.575 -2.383 1.00 1.94 O flip ATOM 749 ND2 ASN A 83 16.154 6.299 -2.593 1.00 1.73 N flip ATOM 0 H ASN A 83 14.760 5.235 -5.479 1.00 0.35 H new ATOM 0 HA ASN A 83 12.620 4.908 -3.681 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.439 7.287 -4.211 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.377 7.133 -2.825 1.00 0.47 H new ATOM 0 HD21 ASN A 83 16.356 7.241 -2.927 1.00 1.73 H new ATOM 0 HD22 ASN A 83 16.867 5.773 -2.088 1.00 1.73 H new ATOM 756 N THR A 84 12.062 6.799 -6.236 1.00 0.35 N ATOM 757 CA THR A 84 11.024 7.470 -6.994 1.00 0.39 C ATOM 758 C THR A 84 9.750 6.625 -7.008 1.00 0.32 C ATOM 759 O THR A 84 8.668 7.084 -6.617 1.00 0.33 O ATOM 760 CB THR A 84 11.507 7.700 -8.436 1.00 0.48 C ATOM 761 OG1 THR A 84 12.921 7.938 -8.431 1.00 1.02 O ATOM 762 CG2 THR A 84 10.797 8.886 -9.066 1.00 1.04 C ATOM 0 H THR A 84 12.909 6.609 -6.771 1.00 0.35 H new ATOM 0 HA THR A 84 10.806 8.429 -6.524 1.00 0.39 H new ATOM 0 HB THR A 84 11.279 6.811 -9.023 1.00 0.48 H new ATOM 0 HG1 THR A 84 13.232 8.083 -9.349 1.00 1.02 H new ATOM 0 HG21 THR A 84 11.157 9.026 -10.085 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.723 8.700 -9.083 1.00 1.04 H new ATOM 0 HG23 THR A 84 11.000 9.784 -8.482 1.00 1.04 H new ATOM 770 N VAL A 85 9.896 5.371 -7.424 1.00 0.30 N ATOM 771 CA VAL A 85 8.770 4.455 -7.503 1.00 0.28 C ATOM 772 C VAL A 85 8.334 4.029 -6.107 1.00 0.22 C ATOM 773 O VAL A 85 7.142 3.988 -5.809 1.00 0.20 O ATOM 774 CB VAL A 85 9.114 3.202 -8.340 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.913 2.275 -8.459 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.611 3.599 -9.719 1.00 0.41 C ATOM 0 H VAL A 85 10.787 4.967 -7.712 1.00 0.30 H new ATOM 0 HA VAL A 85 7.954 4.983 -7.996 1.00 0.28 H new ATOM 0 HB VAL A 85 9.909 2.664 -7.823 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.184 1.402 -9.053 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.601 1.955 -7.465 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.092 2.803 -8.944 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.848 2.703 -10.292 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.837 4.166 -10.235 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.506 4.213 -9.620 1.00 0.41 H new ATOM 786 N LEU A 86 9.308 3.736 -5.249 1.00 0.24 N ATOM 787 CA LEU A 86 9.023 3.321 -3.881 1.00 0.25 C ATOM 788 C LEU A 86 8.254 4.412 -3.141 1.00 0.21 C ATOM 789 O LEU A 86 7.335 4.126 -2.372 1.00 0.23 O ATOM 790 CB LEU A 86 10.322 2.999 -3.134 1.00 0.33 C ATOM 791 CG LEU A 86 11.201 1.916 -3.773 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.403 1.619 -2.894 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.404 0.645 -4.028 1.00 0.37 C ATOM 0 H LEU A 86 10.301 3.779 -5.478 1.00 0.24 H new ATOM 0 HA LEU A 86 8.409 2.421 -3.919 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.908 3.914 -3.049 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.070 2.686 -2.121 1.00 0.33 H new ATOM 0 HG LEU A 86 11.555 2.293 -4.733 1.00 0.37 H new ATOM 0 HD11 LEU A 86 13.015 0.849 -3.363 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.995 2.526 -2.768 1.00 0.44 H new ATOM 0 HD13 LEU A 86 12.063 1.269 -1.919 1.00 0.44 H new ATOM 0 HD21 LEU A 86 11.051 -0.106 -4.481 1.00 0.37 H new ATOM 0 HD22 LEU A 86 10.013 0.265 -3.084 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.576 0.864 -4.702 1.00 0.37 H new ATOM 805 N GLY A 87 8.631 5.661 -3.388 1.00 0.21 N ATOM 806 CA GLY A 87 7.929 6.778 -2.797 1.00 0.22 C ATOM 807 C GLY A 87 6.499 6.864 -3.281 1.00 0.21 C ATOM 808 O GLY A 87 5.571 7.022 -2.472 1.00 0.23 O ATOM 0 H GLY A 87 9.414 5.918 -3.990 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.940 6.680 -1.711 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.451 7.704 -3.039 1.00 0.22 H new ATOM 812 N LYS A 88 6.316 6.767 -4.604 1.00 0.22 N ATOM 813 CA LYS A 88 4.979 6.718 -5.183 1.00 0.29 C ATOM 814 C LYS A 88 4.138 5.647 -4.506 1.00 0.22 C ATOM 815 O LYS A 88 3.038 5.918 -4.034 1.00 0.24 O ATOM 816 CB LYS A 88 5.032 6.406 -6.677 1.00 0.48 C ATOM 817 CG LYS A 88 5.585 7.522 -7.541 1.00 0.97 C ATOM 818 CD LYS A 88 5.397 7.187 -9.011 1.00 0.80 C ATOM 819 CE LYS A 88 5.784 8.338 -9.916 1.00 1.23 C ATOM 820 NZ LYS A 88 7.245 8.589 -9.920 1.00 1.71 N ATOM 0 H LYS A 88 7.074 6.722 -5.284 1.00 0.22 H new ATOM 0 HA LYS A 88 4.531 7.700 -5.030 1.00 0.29 H new ATOM 0 HB2 LYS A 88 5.641 5.514 -6.826 1.00 0.48 H new ATOM 0 HB3 LYS A 88 4.026 6.165 -7.019 1.00 0.48 H new ATOM 0 HG2 LYS A 88 5.080 8.459 -7.306 1.00 0.97 H new ATOM 0 HG3 LYS A 88 6.644 7.668 -7.326 1.00 0.97 H new ATOM 0 HD2 LYS A 88 5.997 6.313 -9.262 1.00 0.80 H new ATOM 0 HD3 LYS A 88 4.355 6.921 -9.191 1.00 0.80 H new ATOM 0 HE2 LYS A 88 5.452 8.125 -10.932 1.00 1.23 H new ATOM 0 HE3 LYS A 88 5.264 9.240 -9.594 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 7.459 9.385 -10.554 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 7.560 8.819 -8.956 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 7.742 7.739 -10.253 1.00 1.71 H new ATOM 834 N ILE A 89 4.692 4.441 -4.435 1.00 0.20 N ATOM 835 CA ILE A 89 3.953 3.283 -3.958 1.00 0.20 C ATOM 836 C ILE A 89 3.526 3.475 -2.514 1.00 0.19 C ATOM 837 O ILE A 89 2.360 3.294 -2.183 1.00 0.21 O ATOM 838 CB ILE A 89 4.786 1.987 -4.083 1.00 0.23 C ATOM 839 CG1 ILE A 89 5.081 1.695 -5.555 1.00 0.31 C ATOM 840 CG2 ILE A 89 4.052 0.813 -3.447 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.994 0.510 -5.776 1.00 0.40 C ATOM 0 H ILE A 89 5.656 4.242 -4.704 1.00 0.20 H new ATOM 0 HA ILE A 89 3.067 3.185 -4.585 1.00 0.20 H new ATOM 0 HB ILE A 89 5.729 2.127 -3.554 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.140 1.517 -6.075 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.533 2.578 -6.006 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.655 -0.090 -3.546 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.880 1.021 -2.391 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.096 0.667 -3.949 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.154 0.369 -6.845 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.951 0.692 -5.286 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.536 -0.386 -5.356 1.00 0.40 H new ATOM 853 N TRP A 90 4.467 3.873 -1.674 1.00 0.19 N ATOM 854 CA TRP A 90 4.203 4.040 -0.255 1.00 0.22 C ATOM 855 C TRP A 90 3.073 5.033 -0.003 1.00 0.24 C ATOM 856 O TRP A 90 2.121 4.726 0.706 1.00 0.28 O ATOM 857 CB TRP A 90 5.467 4.499 0.468 1.00 0.25 C ATOM 858 CG TRP A 90 5.270 4.721 1.937 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.876 5.877 2.547 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.441 3.757 2.978 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.801 5.692 3.904 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.142 4.398 4.192 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.824 2.414 3.002 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.206 3.744 5.416 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.888 1.767 4.220 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.580 2.431 5.408 1.00 0.19 C ATOM 0 H TRP A 90 5.425 4.087 -1.952 1.00 0.19 H new ATOM 0 HA TRP A 90 3.892 3.071 0.136 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.249 3.754 0.323 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.820 5.425 0.013 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.655 6.802 2.036 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.535 6.402 4.586 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.065 1.893 2.087 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.969 4.254 6.338 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.182 0.728 4.254 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.639 1.894 6.343 1.00 0.19 H new ATOM 877 N LYS A 91 3.156 6.205 -0.615 1.00 0.24 N ATOM 878 CA LYS A 91 2.230 7.284 -0.282 1.00 0.30 C ATOM 879 C LYS A 91 0.892 7.125 -0.988 1.00 0.29 C ATOM 880 O LYS A 91 -0.085 7.782 -0.635 1.00 0.36 O ATOM 881 CB LYS A 91 2.862 8.642 -0.589 1.00 0.40 C ATOM 882 CG LYS A 91 3.874 9.066 0.465 1.00 0.53 C ATOM 883 CD LYS A 91 4.709 10.258 0.027 1.00 1.04 C ATOM 884 CE LYS A 91 5.663 9.888 -1.100 1.00 1.51 C ATOM 885 NZ LYS A 91 6.856 10.774 -1.118 1.00 2.40 N ATOM 0 H LYS A 91 3.842 6.434 -1.334 1.00 0.24 H new ATOM 0 HA LYS A 91 2.029 7.230 0.788 1.00 0.30 H new ATOM 0 HB2 LYS A 91 3.352 8.599 -1.562 1.00 0.40 H new ATOM 0 HB3 LYS A 91 2.078 9.396 -0.659 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.350 9.314 1.388 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.534 8.227 0.688 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.051 11.063 -0.301 1.00 1.04 H new ATOM 0 HD3 LYS A 91 5.277 10.637 0.876 1.00 1.04 H new ATOM 0 HE2 LYS A 91 5.980 8.852 -0.984 1.00 1.51 H new ATOM 0 HE3 LYS A 91 5.143 9.957 -2.055 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 7.561 10.394 -1.782 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 6.575 11.729 -1.420 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 7.269 10.820 -0.164 1.00 2.40 H new ATOM 899 N LEU A 92 0.852 6.264 -1.989 1.00 0.27 N ATOM 900 CA LEU A 92 -0.392 5.973 -2.681 1.00 0.32 C ATOM 901 C LEU A 92 -1.055 4.730 -2.080 1.00 0.30 C ATOM 902 O LEU A 92 -2.274 4.584 -2.118 1.00 0.43 O ATOM 903 CB LEU A 92 -0.117 5.825 -4.187 1.00 0.40 C ATOM 904 CG LEU A 92 0.026 4.404 -4.745 1.00 0.59 C ATOM 905 CD1 LEU A 92 -1.329 3.851 -5.140 1.00 0.85 C ATOM 906 CD2 LEU A 92 0.963 4.391 -5.942 1.00 1.08 C ATOM 0 H LEU A 92 1.663 5.755 -2.340 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.093 6.797 -2.552 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -0.926 6.318 -4.726 1.00 0.40 H new ATOM 0 HB3 LEU A 92 0.799 6.370 -4.417 1.00 0.40 H new ATOM 0 HG LEU A 92 0.449 3.772 -3.964 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -1.209 2.842 -5.534 1.00 0.85 H new ATOM 0 HD12 LEU A 92 -1.980 3.825 -4.266 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -1.773 4.489 -5.904 1.00 0.85 H new ATOM 0 HD21 LEU A 92 1.052 3.374 -6.324 1.00 1.08 H new ATOM 0 HD22 LEU A 92 0.564 5.038 -6.723 1.00 1.08 H new ATOM 0 HD23 LEU A 92 1.946 4.751 -5.639 1.00 1.08 H new ATOM 918 N ALA A 93 -0.238 3.845 -1.514 1.00 0.22 N ATOM 919 CA ALA A 93 -0.738 2.613 -0.902 1.00 0.21 C ATOM 920 C ALA A 93 -1.106 2.823 0.565 1.00 0.19 C ATOM 921 O ALA A 93 -2.133 2.326 1.029 1.00 0.30 O ATOM 922 CB ALA A 93 0.285 1.492 -1.026 1.00 0.23 C ATOM 0 H ALA A 93 0.775 3.957 -1.466 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.642 2.329 -1.441 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -0.109 0.587 -0.564 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.490 1.302 -2.079 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.207 1.784 -0.523 1.00 0.23 H new ATOM 928 N ASP A 94 -0.266 3.554 1.299 1.00 0.18 N ATOM 929 CA ASP A 94 -0.567 3.882 2.692 1.00 0.18 C ATOM 930 C ASP A 94 -1.591 5.007 2.715 1.00 0.33 C ATOM 931 O ASP A 94 -1.277 6.158 3.010 1.00 0.45 O ATOM 932 CB ASP A 94 0.709 4.269 3.468 1.00 0.30 C ATOM 933 CG ASP A 94 0.472 4.543 4.953 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.232 3.748 5.619 1.00 0.30 O ATOM 935 OD2 ASP A 94 1.020 5.535 5.478 1.00 0.31 O ATOM 0 H ASP A 94 0.619 3.927 0.956 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.979 3.004 3.190 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.440 3.467 3.369 1.00 0.30 H new ATOM 0 HB3 ASP A 94 1.146 5.156 3.010 1.00 0.30 H new ATOM 940 N VAL A 95 -2.817 4.658 2.346 1.00 0.51 N ATOM 941 CA VAL A 95 -3.914 5.611 2.269 1.00 0.71 C ATOM 942 C VAL A 95 -4.261 6.144 3.650 1.00 0.72 C ATOM 943 O VAL A 95 -4.837 7.226 3.792 1.00 0.80 O ATOM 944 CB VAL A 95 -5.172 4.974 1.629 1.00 0.97 C ATOM 945 CG1 VAL A 95 -4.931 4.653 0.161 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.592 3.721 2.386 1.00 0.95 C ATOM 0 H VAL A 95 -3.078 3.705 2.092 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.584 6.436 1.638 1.00 0.71 H new ATOM 0 HB VAL A 95 -5.983 5.700 1.692 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -5.829 4.207 -0.266 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -4.690 5.570 -0.377 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.101 3.952 0.073 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.478 3.292 1.917 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.781 2.993 2.363 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.818 3.980 3.420 1.00 0.95 H new ATOM 956 N ASP A 96 -3.904 5.380 4.664 1.00 0.70 N ATOM 957 CA ASP A 96 -4.142 5.766 6.040 1.00 0.78 C ATOM 958 C ASP A 96 -3.115 6.811 6.473 1.00 0.75 C ATOM 959 O ASP A 96 -3.376 7.630 7.353 1.00 0.88 O ATOM 960 CB ASP A 96 -4.103 4.507 6.906 1.00 0.96 C ATOM 961 CG ASP A 96 -4.256 4.759 8.384 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.145 5.539 8.782 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.495 4.145 9.155 1.00 1.12 O ATOM 0 H ASP A 96 -3.442 4.477 4.557 1.00 0.70 H new ATOM 0 HA ASP A 96 -5.123 6.228 6.154 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -4.896 3.833 6.581 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.158 3.992 6.734 1.00 0.96 H new ATOM 968 N LYS A 97 -1.974 6.807 5.780 1.00 0.66 N ATOM 969 CA LYS A 97 -0.940 7.834 5.925 1.00 0.70 C ATOM 970 C LYS A 97 -0.447 7.929 7.360 1.00 0.70 C ATOM 971 O LYS A 97 -0.328 9.021 7.931 1.00 0.86 O ATOM 972 CB LYS A 97 -1.463 9.186 5.431 1.00 0.86 C ATOM 973 CG LYS A 97 -2.208 9.073 4.115 1.00 0.89 C ATOM 974 CD LYS A 97 -2.183 10.367 3.329 1.00 1.15 C ATOM 975 CE LYS A 97 -2.754 10.172 1.936 1.00 1.38 C ATOM 976 NZ LYS A 97 -2.683 11.422 1.133 1.00 1.68 N ATOM 0 H LYS A 97 -1.740 6.086 5.098 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.088 7.546 5.309 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -2.125 9.613 6.184 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -0.627 9.875 5.314 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -1.765 8.278 3.516 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -3.242 8.788 4.308 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -2.757 11.128 3.857 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -1.159 10.733 3.258 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -2.206 9.380 1.426 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -3.791 9.845 2.010 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -3.082 11.251 0.188 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -3.227 12.171 1.608 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -1.691 11.720 1.041 1.00 1.68 H new ATOM 990 N ASP A 98 -0.119 6.781 7.920 1.00 0.56 N ATOM 991 CA ASP A 98 0.278 6.691 9.313 1.00 0.59 C ATOM 992 C ASP A 98 1.714 6.196 9.434 1.00 0.45 C ATOM 993 O ASP A 98 2.190 5.915 10.533 1.00 0.46 O ATOM 994 CB ASP A 98 -0.676 5.753 10.069 1.00 0.67 C ATOM 995 CG ASP A 98 -0.693 4.329 9.529 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.657 4.139 8.286 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.778 3.383 10.336 1.00 0.71 O ATOM 0 H ASP A 98 -0.120 5.889 7.426 1.00 0.56 H new ATOM 0 HA ASP A 98 0.223 7.686 9.755 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.390 5.730 11.121 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.685 6.162 10.022 1.00 0.67 H new ATOM 1002 N GLY A 99 2.410 6.119 8.296 1.00 0.39 N ATOM 1003 CA GLY A 99 3.790 5.652 8.289 1.00 0.38 C ATOM 1004 C GLY A 99 3.877 4.194 8.683 1.00 0.29 C ATOM 1005 O GLY A 99 4.941 3.685 9.051 1.00 0.39 O ATOM 0 H GLY A 99 2.041 6.372 7.379 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.218 5.789 7.296 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.384 6.253 8.978 1.00 0.38 H new ATOM 1009 N LEU A 100 2.737 3.539 8.597 1.00 0.28 N ATOM 1010 CA LEU A 100 2.571 2.169 9.002 1.00 0.33 C ATOM 1011 C LEU A 100 1.697 1.451 7.994 1.00 0.29 C ATOM 1012 O LEU A 100 0.708 2.014 7.503 1.00 0.39 O ATOM 1013 CB LEU A 100 1.886 2.137 10.348 1.00 0.53 C ATOM 1014 CG LEU A 100 2.718 2.571 11.546 1.00 0.59 C ATOM 1015 CD1 LEU A 100 1.801 2.965 12.686 1.00 1.37 C ATOM 1016 CD2 LEU A 100 3.644 1.456 11.988 1.00 1.11 C ATOM 0 H LEU A 100 1.882 3.961 8.234 1.00 0.28 H new ATOM 0 HA LEU A 100 3.544 1.682 9.061 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.004 2.775 10.297 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.534 1.121 10.527 1.00 0.53 H new ATOM 0 HG LEU A 100 3.327 3.428 11.257 1.00 0.59 H new ATOM 0 HD11 LEU A 100 2.399 3.275 13.543 1.00 1.37 H new ATOM 0 HD12 LEU A 100 1.163 3.790 12.371 1.00 1.37 H new ATOM 0 HD13 LEU A 100 1.181 2.113 12.965 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.229 1.788 12.846 1.00 1.11 H new ATOM 0 HD22 LEU A 100 3.055 0.583 12.267 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.315 1.195 11.170 1.00 1.11 H new ATOM 1028 N LEU A 101 2.038 0.218 7.695 1.00 0.28 N ATOM 1029 CA LEU A 101 1.267 -0.551 6.746 1.00 0.27 C ATOM 1030 C LEU A 101 0.519 -1.672 7.433 1.00 0.27 C ATOM 1031 O LEU A 101 1.123 -2.580 8.008 1.00 0.31 O ATOM 1032 CB LEU A 101 2.152 -1.127 5.639 1.00 0.29 C ATOM 1033 CG LEU A 101 2.808 -0.096 4.718 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.538 -0.785 3.581 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.780 0.880 4.170 1.00 0.34 C ATOM 0 H LEU A 101 2.840 -0.271 8.093 1.00 0.28 H new ATOM 0 HA LEU A 101 0.547 0.131 6.294 1.00 0.27 H new ATOM 0 HB2 LEU A 101 2.936 -1.728 6.100 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.550 -1.802 5.030 1.00 0.29 H new ATOM 0 HG LEU A 101 3.531 0.467 5.307 1.00 0.30 H new ATOM 0 HD11 LEU A 101 3.998 -0.036 2.937 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.311 -1.438 3.987 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.831 -1.378 3.001 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.274 1.601 3.519 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.027 0.334 3.602 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.301 1.406 4.996 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.798 -1.582 7.404 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.644 -2.715 7.741 1.00 0.33 C ATOM 1049 C ASP A 102 -1.499 -3.760 6.649 1.00 0.26 C ATOM 1050 O ASP A 102 -0.897 -3.487 5.611 1.00 0.24 O ATOM 1051 CB ASP A 102 -3.115 -2.292 7.857 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.358 -1.299 8.972 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.859 -0.159 8.868 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -4.052 -1.652 9.947 1.00 1.39 O ATOM 0 H ASP A 102 -1.307 -0.735 7.150 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.335 -3.119 8.705 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.437 -1.855 6.912 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.730 -3.176 8.025 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.042 -4.946 6.860 1.00 0.32 N ATOM 1060 CA ASP A 103 -1.949 -5.990 5.844 1.00 0.35 C ATOM 1061 C ASP A 103 -2.668 -5.549 4.575 1.00 0.26 C ATOM 1062 O ASP A 103 -2.310 -5.964 3.479 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.510 -7.326 6.346 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.969 -7.242 6.730 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -4.259 -6.748 7.840 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.822 -7.673 5.930 1.00 1.17 O ATOM 0 H ASP A 103 -2.544 -5.212 7.707 1.00 0.32 H new ATOM 0 HA ASP A 103 -0.894 -6.146 5.621 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.386 -8.081 5.570 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -1.931 -7.657 7.208 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.664 -4.682 4.729 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.368 -4.111 3.589 1.00 0.25 C ATOM 1073 C GLU A 104 -3.435 -3.210 2.775 1.00 0.22 C ATOM 1074 O GLU A 104 -3.274 -3.379 1.564 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.568 -3.293 4.070 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.446 -4.028 5.074 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.581 -3.167 5.604 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -7.321 -2.261 6.428 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.738 -3.400 5.201 1.00 1.38 O ATOM 0 H GLU A 104 -4.002 -4.359 5.636 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.713 -4.929 2.956 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.209 -2.369 4.523 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.174 -3.011 3.209 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.861 -4.919 4.603 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -5.832 -4.366 5.909 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.802 -2.268 3.467 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.935 -1.285 2.827 1.00 0.18 C ATOM 1088 C GLU A 105 -0.671 -1.946 2.283 1.00 0.17 C ATOM 1089 O GLU A 105 -0.160 -1.569 1.230 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.565 -0.175 3.820 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.769 0.497 4.473 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.391 1.735 5.263 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.762 1.610 6.345 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.710 2.847 4.817 1.00 0.39 O ATOM 0 H GLU A 105 -2.874 -2.165 4.479 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.479 -0.845 1.991 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.929 -0.595 4.599 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.976 0.581 3.301 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.490 0.769 3.702 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.263 -0.215 5.135 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.182 -2.947 3.000 1.00 0.17 N ATOM 1102 CA PHE A 106 1.014 -3.669 2.593 1.00 0.18 C ATOM 1103 C PHE A 106 0.720 -4.526 1.368 1.00 0.18 C ATOM 1104 O PHE A 106 1.591 -4.744 0.520 1.00 0.21 O ATOM 1105 CB PHE A 106 1.516 -4.538 3.746 1.00 0.21 C ATOM 1106 CG PHE A 106 2.849 -5.190 3.492 1.00 0.22 C ATOM 1107 CD1 PHE A 106 3.971 -4.420 3.223 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.983 -6.566 3.546 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.200 -5.013 3.007 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.211 -7.164 3.331 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.320 -6.388 3.062 1.00 0.29 C ATOM 0 H PHE A 106 -0.597 -3.279 3.870 1.00 0.17 H new ATOM 0 HA PHE A 106 1.791 -2.950 2.333 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.590 -3.924 4.644 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.778 -5.314 3.950 1.00 0.21 H new ATOM 0 HD1 PHE A 106 3.883 -3.344 3.182 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.120 -7.179 3.758 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.065 -4.403 2.796 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.302 -8.239 3.374 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.280 -6.855 2.895 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.516 -5.011 1.287 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.978 -5.744 0.119 1.00 0.24 C ATOM 1123 C ALA A 107 -0.995 -4.836 -1.097 1.00 0.23 C ATOM 1124 O ALA A 107 -0.547 -5.217 -2.180 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.364 -6.321 0.360 1.00 0.34 C ATOM 0 H ALA A 107 -1.216 -4.907 2.022 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.288 -6.568 -0.064 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.691 -6.865 -0.526 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.332 -7.000 1.212 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.064 -5.512 0.567 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.511 -3.625 -0.909 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.515 -2.623 -1.962 1.00 0.28 C ATOM 1133 C LEU A 108 -0.093 -2.340 -2.430 1.00 0.23 C ATOM 1134 O LEU A 108 0.181 -2.332 -3.629 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.173 -1.332 -1.470 1.00 0.38 C ATOM 1136 CG LEU A 108 -3.658 -1.445 -1.129 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -4.176 -0.126 -0.591 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -4.458 -1.858 -2.352 1.00 1.31 C ATOM 0 H LEU A 108 -1.932 -3.316 -0.033 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.091 -3.010 -2.803 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -1.639 -0.986 -0.585 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.050 -0.566 -2.236 1.00 0.38 H new ATOM 0 HG LEU A 108 -3.776 -2.210 -0.362 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -5.235 -0.221 -0.352 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -3.624 0.142 0.310 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.042 0.651 -1.343 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -5.513 -1.933 -2.088 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.332 -1.113 -3.138 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -4.104 -2.825 -2.709 1.00 1.31 H new ATOM 1150 N ALA A 109 0.807 -2.134 -1.471 1.00 0.23 N ATOM 1151 CA ALA A 109 2.213 -1.883 -1.764 1.00 0.24 C ATOM 1152 C ALA A 109 2.799 -2.972 -2.658 1.00 0.23 C ATOM 1153 O ALA A 109 3.302 -2.696 -3.747 1.00 0.24 O ATOM 1154 CB ALA A 109 3.009 -1.780 -0.467 1.00 0.27 C ATOM 0 H ALA A 109 0.583 -2.137 -0.476 1.00 0.23 H new ATOM 0 HA ALA A 109 2.281 -0.937 -2.302 1.00 0.24 H new ATOM 0 HB1 ALA A 109 4.058 -1.592 -0.698 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.618 -0.960 0.136 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.921 -2.713 0.089 1.00 0.27 H new ATOM 1160 N ASN A 110 2.702 -4.215 -2.202 1.00 0.24 N ATOM 1161 CA ASN A 110 3.280 -5.346 -2.917 1.00 0.26 C ATOM 1162 C ASN A 110 2.630 -5.537 -4.277 1.00 0.25 C ATOM 1163 O ASN A 110 3.297 -5.905 -5.239 1.00 0.26 O ATOM 1164 CB ASN A 110 3.144 -6.628 -2.100 1.00 0.28 C ATOM 1165 CG ASN A 110 4.282 -6.811 -1.124 1.00 0.31 C ATOM 1166 OD1 ASN A 110 5.289 -7.437 -1.442 1.00 0.70 O ATOM 1167 ND2 ASN A 110 4.128 -6.270 0.069 1.00 0.55 N ATOM 0 H ASN A 110 2.226 -4.466 -1.336 1.00 0.24 H new ATOM 0 HA ASN A 110 4.337 -5.127 -3.068 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.200 -6.610 -1.555 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.106 -7.483 -2.775 1.00 0.28 H new ATOM 0 HD21 ASN A 110 4.863 -6.364 0.770 1.00 0.55 H new ATOM 0 HD22 ASN A 110 3.274 -5.758 0.290 1.00 0.55 H new ATOM 1174 N HIS A 111 1.331 -5.277 -4.365 1.00 0.24 N ATOM 1175 CA HIS A 111 0.612 -5.439 -5.624 1.00 0.26 C ATOM 1176 C HIS A 111 1.103 -4.430 -6.654 1.00 0.24 C ATOM 1177 O HIS A 111 1.139 -4.716 -7.848 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.898 -5.284 -5.417 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.719 -5.701 -6.602 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.019 -7.019 -6.889 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.325 -4.962 -7.565 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.772 -7.069 -7.977 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.972 -5.836 -8.401 1.00 0.73 N ATOM 0 H HIS A 111 0.757 -4.955 -3.586 1.00 0.24 H new ATOM 0 HA HIS A 111 0.808 -6.445 -5.994 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.199 -5.875 -4.552 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.118 -4.242 -5.183 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -2.302 -3.886 -7.656 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.157 -7.966 -8.439 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.520 -5.574 -9.220 1.00 0.73 H new ATOM 1192 N LEU A 112 1.472 -3.251 -6.183 1.00 0.24 N ATOM 1193 CA LEU A 112 1.988 -2.199 -7.054 1.00 0.23 C ATOM 1194 C LEU A 112 3.432 -2.484 -7.462 1.00 0.24 C ATOM 1195 O LEU A 112 3.866 -2.125 -8.560 1.00 0.27 O ATOM 1196 CB LEU A 112 1.907 -0.846 -6.345 1.00 0.23 C ATOM 1197 CG LEU A 112 0.495 -0.386 -5.972 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.560 0.859 -5.103 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.337 -0.127 -7.221 1.00 0.22 C ATOM 0 H LEU A 112 1.425 -2.994 -5.197 1.00 0.24 H new ATOM 0 HA LEU A 112 1.375 -2.173 -7.955 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.507 -0.894 -5.437 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.360 -0.090 -6.987 1.00 0.23 H new ATOM 0 HG LEU A 112 0.012 -1.181 -5.404 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.451 1.176 -4.845 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.115 0.638 -4.191 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.062 1.658 -5.649 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.336 0.199 -6.932 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.138 0.650 -7.820 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.410 -1.044 -7.806 1.00 0.22 H new ATOM 1211 N ILE A 113 4.164 -3.153 -6.586 1.00 0.28 N ATOM 1212 CA ILE A 113 5.554 -3.480 -6.853 1.00 0.32 C ATOM 1213 C ILE A 113 5.585 -4.621 -7.844 1.00 0.35 C ATOM 1214 O ILE A 113 6.369 -4.640 -8.792 1.00 0.38 O ATOM 1215 CB ILE A 113 6.307 -3.890 -5.567 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.302 -2.747 -4.546 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.733 -4.292 -5.896 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.917 -3.116 -3.211 1.00 0.43 C ATOM 0 H ILE A 113 3.818 -3.480 -5.684 1.00 0.28 H new ATOM 0 HA ILE A 113 6.053 -2.597 -7.253 1.00 0.32 H new ATOM 0 HB ILE A 113 5.792 -4.745 -5.129 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.844 -1.898 -4.963 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.274 -2.421 -4.384 1.00 0.37 H new ATOM 0 HG21 ILE A 113 8.251 -4.578 -4.981 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.723 -5.136 -6.586 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.251 -3.451 -6.358 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.877 -2.256 -2.542 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.362 -3.944 -2.771 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.955 -3.413 -3.358 1.00 0.43 H new ATOM 1230 N LYS A 114 4.684 -5.552 -7.618 1.00 0.38 N ATOM 1231 CA LYS A 114 4.514 -6.695 -8.472 1.00 0.46 C ATOM 1232 C LYS A 114 3.964 -6.275 -9.834 1.00 0.45 C ATOM 1233 O LYS A 114 4.411 -6.773 -10.859 1.00 0.49 O ATOM 1234 CB LYS A 114 3.597 -7.695 -7.773 1.00 0.57 C ATOM 1235 CG LYS A 114 3.074 -8.797 -8.664 1.00 0.71 C ATOM 1236 CD LYS A 114 2.408 -9.908 -7.857 1.00 0.79 C ATOM 1237 CE LYS A 114 3.363 -10.483 -6.817 1.00 1.39 C ATOM 1238 NZ LYS A 114 2.763 -11.604 -6.042 1.00 1.81 N ATOM 0 H LYS A 114 4.043 -5.531 -6.825 1.00 0.38 H new ATOM 0 HA LYS A 114 5.478 -7.170 -8.656 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.139 -8.145 -6.941 1.00 0.57 H new ATOM 0 HB3 LYS A 114 2.750 -7.156 -7.348 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.357 -8.382 -9.373 1.00 0.71 H new ATOM 0 HG3 LYS A 114 3.895 -9.213 -9.248 1.00 0.71 H new ATOM 0 HD2 LYS A 114 1.519 -9.518 -7.362 1.00 0.79 H new ATOM 0 HD3 LYS A 114 2.077 -10.700 -8.528 1.00 0.79 H new ATOM 0 HE2 LYS A 114 4.267 -10.834 -7.315 1.00 1.39 H new ATOM 0 HE3 LYS A 114 3.664 -9.692 -6.130 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 3.407 -11.878 -5.273 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 1.853 -11.300 -5.640 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 2.609 -12.418 -6.671 1.00 1.81 H new ATOM 1252 N VAL A 115 3.015 -5.340 -9.848 1.00 0.43 N ATOM 1253 CA VAL A 115 2.439 -4.874 -11.105 1.00 0.46 C ATOM 1254 C VAL A 115 3.509 -4.170 -11.946 1.00 0.43 C ATOM 1255 O VAL A 115 3.546 -4.320 -13.169 1.00 0.48 O ATOM 1256 CB VAL A 115 1.206 -3.951 -10.885 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.599 -2.509 -10.604 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.254 -4.028 -12.071 1.00 0.76 C ATOM 0 H VAL A 115 2.633 -4.896 -9.013 1.00 0.43 H new ATOM 0 HA VAL A 115 2.080 -5.749 -11.647 1.00 0.46 H new ATOM 0 HB VAL A 115 0.692 -4.319 -9.997 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.701 -1.909 -10.458 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.213 -2.468 -9.704 1.00 0.91 H new ATOM 0 HG13 VAL A 115 2.166 -2.115 -11.448 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.600 -3.375 -11.895 1.00 0.76 H new ATOM 0 HG22 VAL A 115 0.773 -3.711 -12.975 1.00 0.76 H new ATOM 0 HG23 VAL A 115 -0.093 -5.054 -12.193 1.00 0.76 H new ATOM 1268 N LYS A 116 4.396 -3.424 -11.286 1.00 0.40 N ATOM 1269 CA LYS A 116 5.536 -2.824 -11.965 1.00 0.41 C ATOM 1270 C LYS A 116 6.500 -3.902 -12.444 1.00 0.47 C ATOM 1271 O LYS A 116 6.998 -3.839 -13.566 1.00 0.54 O ATOM 1272 CB LYS A 116 6.263 -1.845 -11.045 1.00 0.39 C ATOM 1273 CG LYS A 116 5.522 -0.533 -10.847 1.00 0.88 C ATOM 1274 CD LYS A 116 5.418 0.239 -12.152 1.00 0.77 C ATOM 1275 CE LYS A 116 6.788 0.662 -12.663 1.00 0.85 C ATOM 1276 NZ LYS A 116 6.722 1.210 -14.041 1.00 1.06 N ATOM 0 H LYS A 116 4.344 -3.224 -10.287 1.00 0.40 H new ATOM 0 HA LYS A 116 5.162 -2.275 -12.829 1.00 0.41 H new ATOM 0 HB2 LYS A 116 6.416 -2.317 -10.074 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.250 -1.637 -11.457 1.00 0.39 H new ATOM 0 HG2 LYS A 116 4.523 -0.731 -10.457 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.040 0.072 -10.103 1.00 0.88 H new ATOM 0 HD2 LYS A 116 4.924 -0.378 -12.902 1.00 0.77 H new ATOM 0 HD3 LYS A 116 4.795 1.122 -12.005 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.209 1.413 -11.994 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.462 -0.194 -12.645 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 7.680 1.454 -14.364 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 6.313 0.497 -14.679 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 6.127 2.063 -14.047 1.00 1.06 H new ATOM 1290 N LEU A 117 6.743 -4.890 -11.593 1.00 0.47 N ATOM 1291 CA LEU A 117 7.669 -5.976 -11.902 1.00 0.57 C ATOM 1292 C LEU A 117 7.200 -6.774 -13.118 1.00 0.64 C ATOM 1293 O LEU A 117 8.006 -7.193 -13.946 1.00 0.75 O ATOM 1294 CB LEU A 117 7.818 -6.903 -10.691 1.00 0.59 C ATOM 1295 CG LEU A 117 8.847 -8.027 -10.848 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.247 -7.455 -11.012 1.00 1.48 C ATOM 1297 CD2 LEU A 117 8.796 -8.964 -9.652 1.00 1.59 C ATOM 0 H LEU A 117 6.307 -4.963 -10.674 1.00 0.47 H new ATOM 0 HA LEU A 117 8.638 -5.536 -12.139 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.092 -6.301 -9.825 1.00 0.59 H new ATOM 0 HB3 LEU A 117 6.847 -7.349 -10.475 1.00 0.59 H new ATOM 0 HG LEU A 117 8.600 -8.594 -11.746 1.00 0.86 H new ATOM 0 HD11 LEU A 117 10.962 -8.270 -11.122 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.280 -6.821 -11.898 1.00 1.48 H new ATOM 0 HD13 LEU A 117 10.503 -6.863 -10.133 1.00 1.48 H new ATOM 0 HD21 LEU A 117 9.533 -9.757 -9.779 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.017 -8.405 -8.743 1.00 1.59 H new ATOM 0 HD23 LEU A 117 7.801 -9.403 -9.576 1.00 1.59 H new ATOM 1309 N GLU A 118 5.890 -6.969 -13.224 1.00 0.61 N ATOM 1310 CA GLU A 118 5.308 -7.704 -14.344 1.00 0.69 C ATOM 1311 C GLU A 118 5.380 -6.890 -15.639 1.00 0.70 C ATOM 1312 O GLU A 118 5.010 -7.377 -16.709 1.00 0.85 O ATOM 1313 CB GLU A 118 3.848 -8.061 -14.053 1.00 0.70 C ATOM 1314 CG GLU A 118 3.642 -8.907 -12.805 1.00 0.80 C ATOM 1315 CD GLU A 118 4.291 -10.271 -12.892 1.00 1.36 C ATOM 1316 OE1 GLU A 118 3.762 -11.144 -13.611 1.00 1.71 O ATOM 1317 OE2 GLU A 118 5.317 -10.489 -12.223 1.00 2.05 O ATOM 0 H GLU A 118 5.208 -6.628 -12.546 1.00 0.61 H new ATOM 0 HA GLU A 118 5.888 -8.618 -14.471 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.275 -7.139 -13.950 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.440 -8.596 -14.911 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.045 -8.375 -11.943 1.00 0.80 H new ATOM 0 HG3 GLU A 118 2.573 -9.031 -12.631 1.00 0.80 H new ATOM 1324 N GLY A 119 5.842 -5.648 -15.542 1.00 0.60 N ATOM 1325 CA GLY A 119 5.971 -4.811 -16.720 1.00 0.62 C ATOM 1326 C GLY A 119 4.739 -3.968 -16.972 1.00 0.65 C ATOM 1327 O GLY A 119 4.343 -3.766 -18.118 1.00 0.68 O ATOM 0 H GLY A 119 6.129 -5.206 -14.669 1.00 0.60 H new ATOM 0 HA2 GLY A 119 6.836 -4.158 -16.605 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.160 -5.440 -17.590 1.00 0.62 H new ATOM 1331 N HIS A 120 4.112 -3.502 -15.900 1.00 0.70 N ATOM 1332 CA HIS A 120 2.936 -2.647 -16.013 1.00 0.78 C ATOM 1333 C HIS A 120 3.226 -1.296 -15.382 1.00 0.75 C ATOM 1334 O HIS A 120 4.254 -1.121 -14.726 1.00 0.92 O ATOM 1335 CB HIS A 120 1.712 -3.275 -15.337 1.00 0.80 C ATOM 1336 CG HIS A 120 1.324 -4.615 -15.888 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.840 -5.847 -15.670 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.298 -4.792 -16.788 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 1.131 -6.734 -16.443 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.206 -6.068 -17.106 1.00 1.10 N flip ATOM 0 H HIS A 120 4.398 -3.701 -14.941 1.00 0.70 H new ATOM 0 HA HIS A 120 2.710 -2.526 -17.073 1.00 0.78 H new ATOM 0 HB2 HIS A 120 1.913 -3.378 -14.271 1.00 0.80 H new ATOM 0 HB3 HIS A 120 0.866 -2.595 -15.438 1.00 0.80 H new ATOM 0 HD2 HIS A 120 -0.334 -4.006 -17.174 1.00 0.97 H new ATOM 0 HE1 HIS A 120 1.303 -7.799 -16.498 1.00 1.16 H new ATOM 0 HE2 HIS A 120 -0.468 -6.472 -17.756 1.00 1.10 H new ATOM 1349 N GLU A 121 2.324 -0.348 -15.582 1.00 0.78 N ATOM 1350 CA GLU A 121 2.486 0.990 -15.024 1.00 0.84 C ATOM 1351 C GLU A 121 1.399 1.300 -14.006 1.00 0.84 C ATOM 1352 O GLU A 121 0.218 1.062 -14.250 1.00 0.98 O ATOM 1353 CB GLU A 121 2.468 2.049 -16.132 1.00 1.05 C ATOM 1354 CG GLU A 121 3.753 2.120 -16.938 1.00 1.71 C ATOM 1355 CD GLU A 121 4.941 2.582 -16.117 1.00 2.10 C ATOM 1356 OE1 GLU A 121 4.791 2.809 -14.894 1.00 2.69 O ATOM 1357 OE2 GLU A 121 6.045 2.703 -16.685 1.00 2.11 O ATOM 0 H GLU A 121 1.471 -0.478 -16.126 1.00 0.78 H new ATOM 0 HA GLU A 121 3.452 1.016 -14.521 1.00 0.84 H new ATOM 0 HB2 GLU A 121 1.638 1.840 -16.807 1.00 1.05 H new ATOM 0 HB3 GLU A 121 2.277 3.025 -15.685 1.00 1.05 H new ATOM 0 HG2 GLU A 121 3.968 1.137 -17.357 1.00 1.71 H new ATOM 0 HG3 GLU A 121 3.612 2.800 -17.778 1.00 1.71 H new ATOM 1364 N LEU A 122 1.805 1.821 -12.860 1.00 0.88 N ATOM 1365 CA LEU A 122 0.855 2.290 -11.869 1.00 0.89 C ATOM 1366 C LEU A 122 0.639 3.794 -12.040 1.00 0.96 C ATOM 1367 O LEU A 122 1.578 4.540 -12.317 1.00 1.08 O ATOM 1368 CB LEU A 122 1.310 1.929 -10.442 1.00 0.90 C ATOM 1369 CG LEU A 122 2.798 2.132 -10.122 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.135 3.596 -9.897 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.188 1.313 -8.905 1.00 0.74 C ATOM 0 H LEU A 122 2.784 1.929 -12.595 1.00 0.88 H new ATOM 0 HA LEU A 122 -0.100 1.787 -12.024 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.726 2.522 -9.738 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.062 0.883 -10.260 1.00 0.90 H new ATOM 0 HG LEU A 122 3.369 1.792 -10.986 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.197 3.695 -9.674 1.00 1.21 H new ATOM 0 HD12 LEU A 122 2.899 4.166 -10.796 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.551 3.979 -9.060 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.245 1.465 -8.688 1.00 0.74 H new ATOM 0 HD22 LEU A 122 2.592 1.628 -8.048 1.00 0.74 H new ATOM 0 HD23 LEU A 122 3.007 0.257 -9.104 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.610 4.256 -11.911 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.960 5.658 -12.139 1.00 1.15 C ATOM 1385 C PRO A 123 -0.766 6.538 -10.907 1.00 1.04 C ATOM 1386 O PRO A 123 -1.220 7.684 -10.884 1.00 1.16 O ATOM 1387 CB PRO A 123 -2.439 5.571 -12.496 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.951 4.403 -11.721 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.790 3.449 -11.554 1.00 1.01 C ATOM 0 HA PRO A 123 -0.329 6.117 -12.900 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.966 6.486 -12.226 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -2.579 5.427 -13.567 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -3.334 4.720 -10.751 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.775 3.921 -12.247 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.724 3.076 -10.532 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.891 2.580 -12.204 1.00 1.01 H new ATOM 1397 N ALA A 124 -0.094 5.993 -9.889 1.00 0.88 N ATOM 1398 CA ALA A 124 0.126 6.700 -8.626 1.00 0.86 C ATOM 1399 C ALA A 124 -1.209 7.081 -7.989 1.00 0.82 C ATOM 1400 O ALA A 124 -1.305 8.054 -7.244 1.00 0.88 O ATOM 1401 CB ALA A 124 0.993 7.933 -8.850 1.00 1.06 C ATOM 0 H ALA A 124 0.310 5.057 -9.917 1.00 0.88 H new ATOM 0 HA ALA A 124 0.652 6.035 -7.941 1.00 0.86 H new ATOM 0 HB1 ALA A 124 1.147 8.447 -7.901 1.00 1.06 H new ATOM 0 HB2 ALA A 124 1.957 7.631 -9.259 1.00 1.06 H new ATOM 0 HB3 ALA A 124 0.496 8.605 -9.550 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.226 6.279 -8.270 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.581 6.564 -7.824 1.00 0.84 C ATOM 1409 C ASP A 125 -4.169 5.343 -7.167 1.00 0.83 C ATOM 1410 O ASP A 125 -3.655 4.234 -7.333 1.00 0.85 O ATOM 1411 CB ASP A 125 -4.461 6.946 -9.010 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.576 7.918 -8.662 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -6.290 7.701 -7.664 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -5.755 8.899 -9.414 1.00 1.76 O ATOM 0 H ASP A 125 -2.136 5.418 -8.810 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.542 7.391 -7.115 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -3.836 7.388 -9.786 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -4.899 6.041 -9.431 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.253 5.540 -6.450 1.00 0.84 N ATOM 1420 CA LEU A 126 -5.937 4.449 -5.809 1.00 0.85 C ATOM 1421 C LEU A 126 -7.409 4.446 -6.236 1.00 0.82 C ATOM 1422 O LEU A 126 -8.251 5.101 -5.618 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.773 4.583 -4.295 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.504 3.275 -3.550 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -6.712 2.369 -3.598 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -4.303 2.565 -4.145 1.00 1.62 C ATOM 0 H LEU A 126 -5.679 6.454 -6.298 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.509 3.493 -6.110 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -4.953 5.272 -4.094 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.677 5.036 -3.887 1.00 0.92 H new ATOM 0 HG LEU A 126 -5.294 3.518 -2.508 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -6.496 1.445 -3.061 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -7.561 2.869 -3.132 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -6.952 2.138 -4.636 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -4.125 1.636 -3.604 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -4.495 2.342 -5.195 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -3.425 3.206 -4.065 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.706 3.750 -7.350 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.066 3.616 -7.892 1.00 0.78 C ATOM 1440 C PRO A 127 -10.087 3.123 -6.867 1.00 0.79 C ATOM 1441 O PRO A 127 -9.750 2.371 -5.954 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.903 2.577 -9.007 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.480 2.681 -9.426 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.704 3.090 -8.205 1.00 0.81 C ATOM 0 HA PRO A 127 -9.451 4.580 -8.223 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.137 1.574 -8.649 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -9.576 2.783 -9.840 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.119 1.728 -9.814 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.363 3.415 -10.224 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -6.260 2.228 -7.707 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -5.888 3.767 -8.459 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.358 3.529 -7.032 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.448 3.162 -6.120 1.00 0.89 C ATOM 1454 C PRO A 128 -12.575 1.658 -5.884 1.00 0.92 C ATOM 1455 O PRO A 128 -13.008 1.227 -4.816 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.697 3.670 -6.835 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.216 4.790 -7.684 1.00 1.02 C ATOM 1458 CD PRO A 128 -11.828 4.409 -8.118 1.00 0.86 C ATOM 0 HA PRO A 128 -12.280 3.587 -5.130 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -14.155 2.885 -7.437 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.451 4.008 -6.124 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.868 4.936 -8.545 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -13.208 5.727 -7.127 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.835 3.893 -9.078 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -11.188 5.284 -8.231 1.00 0.86 H new ATOM 1466 N HIS A 129 -12.208 0.855 -6.878 1.00 0.90 N ATOM 1467 CA HIS A 129 -12.333 -0.593 -6.737 1.00 0.96 C ATOM 1468 C HIS A 129 -11.023 -1.220 -6.250 1.00 0.95 C ATOM 1469 O HIS A 129 -10.874 -2.438 -6.238 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.830 -1.255 -8.041 1.00 1.02 C ATOM 1471 CG HIS A 129 -11.943 -1.091 -9.239 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -10.874 -1.808 -9.650 1.00 1.10 N flip ATOM 1473 CD2 HIS A 129 -12.140 -0.115 -10.195 1.00 1.08 C flip ATOM 1474 CE1 HIS A 129 -10.449 -1.261 -10.832 1.00 1.14 C flip ATOM 1475 NE2 HIS A 129 -11.225 -0.241 -11.140 1.00 1.14 N flip ATOM 0 H HIS A 129 -11.830 1.172 -7.771 1.00 0.90 H new ATOM 0 HA HIS A 129 -13.090 -0.781 -5.975 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.965 -2.321 -7.856 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.812 -0.847 -8.281 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -12.919 0.633 -10.174 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -9.612 -1.610 -11.418 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -11.135 0.350 -11.966 1.00 1.14 H new ATOM 1484 N LEU A 130 -10.077 -0.369 -5.862 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.854 -0.814 -5.206 1.00 0.92 C ATOM 1486 C LEU A 130 -8.845 -0.396 -3.739 1.00 0.93 C ATOM 1487 O LEU A 130 -8.215 -1.047 -2.905 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.618 -0.226 -5.896 1.00 0.89 C ATOM 1489 CG LEU A 130 -7.068 -1.014 -7.085 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -6.778 -2.453 -6.689 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -8.015 -0.960 -8.273 1.00 1.34 C ATOM 0 H LEU A 130 -10.137 0.641 -5.993 1.00 0.89 H new ATOM 0 HA LEU A 130 -8.824 -1.901 -5.275 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.862 0.781 -6.236 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.826 -0.129 -5.154 1.00 0.89 H new ATOM 0 HG LEU A 130 -6.131 -0.546 -7.389 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -6.388 -2.996 -7.550 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -6.041 -2.468 -5.886 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -7.697 -2.929 -6.347 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -7.593 -1.530 -9.101 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -8.977 -1.387 -7.991 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -8.154 0.076 -8.580 1.00 1.34 H new ATOM 1760 N ASP B 149 7.265 9.340 4.510 1.00 0.45 N ATOM 1761 CA ASP B 149 7.775 8.126 3.894 1.00 0.42 C ATOM 1762 C ASP B 149 9.286 8.026 4.081 1.00 0.31 C ATOM 1763 O ASP B 149 10.016 9.017 3.977 1.00 0.30 O ATOM 1764 CB ASP B 149 7.426 8.074 2.399 1.00 0.70 C ATOM 1765 CG ASP B 149 8.196 9.083 1.574 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.320 8.763 1.144 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.671 10.193 1.335 1.00 1.25 O ATOM 0 HA ASP B 149 7.300 7.278 4.386 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.629 7.073 2.019 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.358 8.252 2.275 1.00 0.70 H new ATOM 1772 N PRO B 150 9.769 6.811 4.348 1.00 0.31 N ATOM 1773 CA PRO B 150 11.183 6.548 4.631 1.00 0.29 C ATOM 1774 C PRO B 150 12.088 6.660 3.404 1.00 0.29 C ATOM 1775 O PRO B 150 13.292 6.420 3.489 1.00 0.34 O ATOM 1776 CB PRO B 150 11.172 5.114 5.156 1.00 0.34 C ATOM 1777 CG PRO B 150 9.983 4.488 4.516 1.00 0.49 C ATOM 1778 CD PRO B 150 8.958 5.577 4.397 1.00 0.43 C ATOM 0 HA PRO B 150 11.589 7.281 5.328 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.089 4.588 4.890 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.095 5.091 6.243 1.00 0.34 H new ATOM 0 HG2 PRO B 150 10.236 4.081 3.537 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.606 3.661 5.118 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.351 5.460 3.499 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.275 5.579 5.246 1.00 0.43 H new ATOM 1786 N PHE B 151 11.513 6.981 2.256 1.00 0.31 N ATOM 1787 CA PHE B 151 12.273 6.989 1.015 1.00 0.39 C ATOM 1788 C PHE B 151 12.777 8.386 0.686 1.00 0.46 C ATOM 1789 O PHE B 151 13.830 8.541 0.065 1.00 0.56 O ATOM 1790 CB PHE B 151 11.416 6.457 -0.137 1.00 0.44 C ATOM 1791 CG PHE B 151 10.730 5.176 0.207 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.434 3.984 0.248 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.388 5.168 0.534 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.807 2.809 0.602 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.760 4.001 0.896 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.465 2.819 0.929 1.00 0.32 C ATOM 0 H PHE B 151 10.531 7.238 2.157 1.00 0.31 H new ATOM 0 HA PHE B 151 13.137 6.338 1.148 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.670 7.205 -0.406 1.00 0.44 H new ATOM 0 HB3 PHE B 151 12.045 6.305 -1.014 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.485 3.975 0.000 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.826 6.090 0.505 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.363 1.883 0.624 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.712 4.011 1.155 1.00 0.27 H new ATOM 0 HZ PHE B 151 8.970 1.901 1.210 1.00 0.32 H new ATOM 1806 N THR B 152 12.034 9.397 1.104 1.00 0.53 N ATOM 1807 CA THR B 152 12.376 10.764 0.747 1.00 0.65 C ATOM 1808 C THR B 152 13.464 11.346 1.654 1.00 1.20 C ATOM 1809 O THR B 152 13.207 11.708 2.805 1.00 1.89 O ATOM 1810 CB THR B 152 11.132 11.679 0.742 1.00 0.95 C ATOM 1811 OG1 THR B 152 10.367 11.505 1.941 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.261 11.378 -0.466 1.00 0.98 C ATOM 0 H THR B 152 11.200 9.300 1.684 1.00 0.53 H new ATOM 0 HA THR B 152 12.777 10.725 -0.266 1.00 0.65 H new ATOM 0 HB THR B 152 11.474 12.713 0.691 1.00 0.95 H new ATOM 0 HG1 THR B 152 10.969 11.498 2.715 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.388 12.030 -0.457 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.832 11.550 -1.378 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.937 10.338 -0.431 1.00 0.98 H new