USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 963 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 42 MET CE :methyl -165:sc= -4.43! (180deg=-5.38!) USER MOD Set 1.2: A 49 TYR OH : rot 150:sc= -0.527 USER MOD Set 2.1: A 31 MET CE :methyl 171:sc= -0.283 (180deg=-0.398) USER MOD Set 2.2: A 32 MET CE :methyl -119:sc= -1.02 (180deg=-0.417) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.584 K(o=0.58,f=-0.019) USER MOD Single : A 24 THR OG1 : rot 100:sc= 1.48 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.548 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-6.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -24:sc= 0.243 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 158:sc= -5.05! (180deg=-5.56!) USER MOD Single : A 79 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.28) USER MOD Single : A 81 ASN : amide:sc= -6.83! C(o=-6.8!,f=-9.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.747 F(o=-2.7,f=-0.75) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.008 4.601 17.877 1.00 0.00 N ATOM 96 CA PRO A 7 2.380 5.077 18.087 1.00 0.00 C ATOM 97 C PRO A 7 3.131 5.311 16.788 1.00 0.00 C ATOM 98 O PRO A 7 4.294 5.716 16.787 1.00 0.00 O ATOM 99 CB PRO A 7 3.046 3.949 18.884 1.00 0.00 C ATOM 100 CG PRO A 7 1.928 3.081 19.360 1.00 0.00 C ATOM 101 CD PRO A 7 0.841 3.215 18.335 1.00 0.00 C ATOM 0 HA PRO A 7 2.387 6.041 18.596 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.741 3.386 18.261 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.618 4.346 19.722 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.251 2.044 19.454 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.579 3.397 20.343 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.961 2.501 17.520 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.146 3.045 18.765 1.00 0.00 H new ATOM 109 N VAL A 8 2.456 5.053 15.688 1.00 0.00 N ATOM 110 CA VAL A 8 3.041 5.228 14.362 1.00 0.00 C ATOM 111 C VAL A 8 2.130 6.066 13.471 1.00 0.00 C ATOM 112 O VAL A 8 0.913 5.885 13.473 1.00 0.00 O ATOM 113 CB VAL A 8 3.298 3.873 13.675 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.065 4.071 12.377 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.045 2.928 14.604 1.00 0.00 C ATOM 0 H VAL A 8 1.493 4.718 15.680 1.00 0.00 H new ATOM 0 HA VAL A 8 3.992 5.743 14.501 1.00 0.00 H new ATOM 0 HB VAL A 8 2.334 3.421 13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.238 3.104 11.905 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.486 4.704 11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.022 4.547 12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.215 1.978 14.097 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.003 3.369 14.878 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.453 2.758 15.503 1.00 0.00 H new ATOM 125 N THR A 9 2.722 6.978 12.708 1.00 0.00 N ATOM 126 CA THR A 9 1.954 7.838 11.816 1.00 0.00 C ATOM 127 C THR A 9 2.722 8.141 10.538 1.00 0.00 C ATOM 128 O THR A 9 3.926 8.398 10.571 1.00 0.00 O ATOM 129 CB THR A 9 1.578 9.169 12.492 1.00 0.00 C ATOM 130 OG1 THR A 9 2.761 9.842 12.939 1.00 0.00 O ATOM 131 CG2 THR A 9 0.644 8.941 13.671 1.00 0.00 C ATOM 0 H THR A 9 3.729 7.141 12.689 1.00 0.00 H new ATOM 0 HA THR A 9 1.044 7.290 11.572 1.00 0.00 H new ATOM 0 HB THR A 9 1.061 9.786 11.758 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.514 10.689 13.366 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.396 9.898 14.129 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.269 8.457 13.324 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.135 8.304 14.406 1.00 0.00 H new ATOM 139 N ALA A 10 2.018 8.110 9.414 1.00 0.00 N ATOM 140 CA ALA A 10 2.629 8.390 8.122 1.00 0.00 C ATOM 141 C ALA A 10 2.684 9.890 7.863 1.00 0.00 C ATOM 142 O ALA A 10 2.309 10.691 8.719 1.00 0.00 O ATOM 143 CB ALA A 10 1.865 7.688 7.011 1.00 0.00 C ATOM 0 H ALA A 10 1.022 7.893 9.371 1.00 0.00 H new ATOM 0 HA ALA A 10 3.650 8.009 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.334 7.907 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.878 6.612 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.834 8.041 6.999 1.00 0.00 H new ATOM 149 N SER A 11 3.153 10.264 6.678 1.00 0.00 N ATOM 150 CA SER A 11 3.254 11.675 6.311 1.00 0.00 C ATOM 151 C SER A 11 3.284 11.850 4.798 1.00 0.00 C ATOM 152 O SER A 11 3.768 10.983 4.072 1.00 0.00 O ATOM 153 CB SER A 11 4.507 12.295 6.932 1.00 0.00 C ATOM 154 OG SER A 11 4.617 13.667 6.598 1.00 0.00 O ATOM 0 H SER A 11 3.468 9.615 5.957 1.00 0.00 H new ATOM 0 HA SER A 11 2.371 12.186 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.473 12.183 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.391 11.761 6.584 1.00 0.00 H new ATOM 0 HG SER A 11 5.425 14.040 7.009 1.00 0.00 H new ATOM 160 N LEU A 12 2.762 12.977 4.325 1.00 0.00 N ATOM 161 CA LEU A 12 2.735 13.263 2.896 1.00 0.00 C ATOM 162 C LEU A 12 4.012 13.977 2.463 1.00 0.00 C ATOM 163 O LEU A 12 4.311 15.074 2.934 1.00 0.00 O ATOM 164 CB LEU A 12 1.514 14.115 2.548 1.00 0.00 C ATOM 165 CG LEU A 12 1.208 14.229 1.054 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.914 12.857 0.466 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.040 15.173 0.821 1.00 0.00 C ATOM 0 H LEU A 12 2.353 13.706 4.910 1.00 0.00 H new ATOM 0 HA LEU A 12 2.670 12.316 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.642 13.696 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.663 15.117 2.950 1.00 0.00 H new ATOM 0 HG LEU A 12 2.084 14.638 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.698 12.956 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.780 12.210 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.052 12.421 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.164 15.242 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.843 14.793 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.288 16.161 1.208 1.00 0.00 H new ATOM 179 N VAL A 13 4.759 13.346 1.562 1.00 0.00 N ATOM 180 CA VAL A 13 6.008 13.916 1.069 1.00 0.00 C ATOM 181 C VAL A 13 5.758 14.851 -0.111 1.00 0.00 C ATOM 182 O VAL A 13 4.791 14.683 -0.854 1.00 0.00 O ATOM 183 CB VAL A 13 6.993 12.810 0.638 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.333 13.408 0.235 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.170 11.790 1.753 1.00 0.00 C ATOM 0 H VAL A 13 4.521 12.440 1.159 1.00 0.00 H new ATOM 0 HA VAL A 13 6.446 14.484 1.889 1.00 0.00 H new ATOM 0 HB VAL A 13 6.577 12.299 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.012 12.610 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.189 14.095 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.759 13.948 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.868 11.017 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.562 12.286 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.207 11.335 1.986 1.00 0.00 H new ATOM 195 N ALA A 14 6.636 15.839 -0.273 1.00 0.00 N ATOM 196 CA ALA A 14 6.515 16.802 -1.362 1.00 0.00 C ATOM 197 C ALA A 14 6.441 16.097 -2.713 1.00 0.00 C ATOM 198 O ALA A 14 6.795 14.925 -2.832 1.00 0.00 O ATOM 199 CB ALA A 14 7.683 17.777 -1.336 1.00 0.00 C ATOM 0 H ALA A 14 7.439 15.992 0.337 1.00 0.00 H new ATOM 0 HA ALA A 14 5.588 17.358 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.580 18.490 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.689 18.312 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.618 17.228 -1.449 1.00 0.00 H new ATOM 205 N GLU A 15 5.981 16.821 -3.728 1.00 0.00 N ATOM 206 CA GLU A 15 5.855 16.264 -5.070 1.00 0.00 C ATOM 207 C GLU A 15 7.183 16.317 -5.820 1.00 0.00 C ATOM 208 O GLU A 15 7.450 15.483 -6.684 1.00 0.00 O ATOM 209 CB GLU A 15 4.782 17.019 -5.857 1.00 0.00 C ATOM 210 CG GLU A 15 5.035 18.515 -5.951 1.00 0.00 C ATOM 211 CD GLU A 15 3.931 19.247 -6.688 1.00 0.00 C ATOM 212 OE1 GLU A 15 2.943 19.644 -6.036 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.055 19.424 -7.918 1.00 0.00 O ATOM 0 H GLU A 15 5.689 17.795 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 15 5.562 15.219 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.723 16.605 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.813 16.852 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.132 18.927 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.983 18.688 -6.460 1.00 0.00 H new ATOM 220 N ALA A 16 8.012 17.300 -5.484 1.00 0.00 N ATOM 221 CA ALA A 16 9.309 17.460 -6.132 1.00 0.00 C ATOM 222 C ALA A 16 10.380 16.605 -5.465 1.00 0.00 C ATOM 223 O ALA A 16 11.533 16.597 -5.896 1.00 0.00 O ATOM 224 CB ALA A 16 9.723 18.923 -6.122 1.00 0.00 C ATOM 0 H ALA A 16 7.809 17.997 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 16 9.209 17.122 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.693 19.030 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.981 19.515 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.793 19.274 -5.093 1.00 0.00 H new ATOM 230 N GLN A 17 9.999 15.886 -4.413 1.00 0.00 N ATOM 231 CA GLN A 17 10.937 15.033 -3.689 1.00 0.00 C ATOM 232 C GLN A 17 10.459 13.584 -3.663 1.00 0.00 C ATOM 233 O GLN A 17 11.242 12.668 -3.415 1.00 0.00 O ATOM 234 CB GLN A 17 11.113 15.542 -2.258 1.00 0.00 C ATOM 235 CG GLN A 17 11.715 16.933 -2.180 1.00 0.00 C ATOM 236 CD GLN A 17 13.184 16.952 -2.554 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.057 16.872 -1.690 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.462 17.040 -3.848 1.00 0.00 N ATOM 0 H GLN A 17 9.049 15.877 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 17 11.894 15.070 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.143 15.546 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.750 14.848 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.166 17.601 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.596 17.321 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.705 17.104 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.432 17.043 -4.162 1.00 0.00 H new ATOM 247 N ARG A 18 9.171 13.386 -3.920 1.00 0.00 N ATOM 248 CA ARG A 18 8.590 12.049 -3.916 1.00 0.00 C ATOM 249 C ARG A 18 9.084 11.225 -5.104 1.00 0.00 C ATOM 250 O ARG A 18 9.038 9.996 -5.077 1.00 0.00 O ATOM 251 CB ARG A 18 7.062 12.134 -3.933 1.00 0.00 C ATOM 252 CG ARG A 18 6.496 12.735 -5.209 1.00 0.00 C ATOM 253 CD ARG A 18 4.983 12.861 -5.144 1.00 0.00 C ATOM 254 NE ARG A 18 4.332 11.564 -4.989 1.00 0.00 N ATOM 255 CZ ARG A 18 3.200 11.229 -5.602 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.600 12.093 -6.411 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.669 10.030 -5.408 1.00 0.00 N ATOM 0 H ARG A 18 8.510 14.133 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 18 8.909 11.548 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.650 11.134 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.731 12.731 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.937 13.718 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.774 12.113 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.709 13.506 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.620 13.343 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 18 4.770 10.876 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.007 13.016 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.732 11.834 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.128 9.363 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.801 9.774 -5.879 1.00 0.00 H new ATOM 271 N LEU A 19 9.559 11.908 -6.143 1.00 0.00 N ATOM 272 CA LEU A 19 10.058 11.228 -7.336 1.00 0.00 C ATOM 273 C LEU A 19 11.365 10.497 -7.045 1.00 0.00 C ATOM 274 O LEU A 19 11.726 9.549 -7.743 1.00 0.00 O ATOM 275 CB LEU A 19 10.264 12.226 -8.479 1.00 0.00 C ATOM 276 CG LEU A 19 11.549 13.056 -8.406 1.00 0.00 C ATOM 277 CD1 LEU A 19 11.699 13.914 -9.653 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.563 13.922 -7.156 1.00 0.00 C ATOM 0 H LEU A 19 9.609 12.926 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 19 9.310 10.494 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.259 11.678 -9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.413 12.907 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 19 12.395 12.371 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.617 14.497 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.741 13.272 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.846 14.588 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.485 14.502 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.709 14.599 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.505 13.286 -6.272 1.00 0.00 H new ATOM 290 N ASP A 20 12.068 10.944 -6.011 1.00 0.00 N ATOM 291 CA ASP A 20 13.333 10.331 -5.625 1.00 0.00 C ATOM 292 C ASP A 20 13.201 9.674 -4.258 1.00 0.00 C ATOM 293 O ASP A 20 14.113 8.998 -3.787 1.00 0.00 O ATOM 294 CB ASP A 20 14.448 11.379 -5.597 1.00 0.00 C ATOM 295 CG ASP A 20 15.827 10.758 -5.497 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.346 10.296 -6.534 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.389 10.737 -4.383 1.00 0.00 O ATOM 0 H ASP A 20 11.783 11.729 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 20 13.588 9.569 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.392 11.988 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.292 12.048 -4.751 1.00 0.00 H new ATOM 302 N PHE A 21 12.047 9.881 -3.633 1.00 0.00 N ATOM 303 CA PHE A 21 11.768 9.320 -2.319 1.00 0.00 C ATOM 304 C PHE A 21 11.721 7.797 -2.381 1.00 0.00 C ATOM 305 O PHE A 21 12.236 7.114 -1.496 1.00 0.00 O ATOM 306 CB PHE A 21 10.438 9.857 -1.790 1.00 0.00 C ATOM 307 CG PHE A 21 10.205 9.568 -0.334 1.00 0.00 C ATOM 308 CD1 PHE A 21 10.694 10.423 0.641 1.00 0.00 C ATOM 309 CD2 PHE A 21 9.497 8.444 0.059 1.00 0.00 C ATOM 310 CE1 PHE A 21 10.482 10.161 1.981 1.00 0.00 C ATOM 311 CE2 PHE A 21 9.282 8.177 1.397 1.00 0.00 C ATOM 312 CZ PHE A 21 9.776 9.037 2.359 1.00 0.00 C ATOM 0 H PHE A 21 11.285 10.438 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 21 12.570 9.616 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.404 10.935 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.624 9.424 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.247 11.304 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.109 7.769 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.868 10.835 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.729 7.297 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.610 8.830 3.406 1.00 0.00 H new ATOM 322 N LEU A 22 11.096 7.274 -3.431 1.00 0.00 N ATOM 323 CA LEU A 22 10.978 5.832 -3.610 1.00 0.00 C ATOM 324 C LEU A 22 12.350 5.173 -3.763 1.00 0.00 C ATOM 325 O LEU A 22 12.674 4.249 -3.024 1.00 0.00 O ATOM 326 CB LEU A 22 10.102 5.513 -4.824 1.00 0.00 C ATOM 327 CG LEU A 22 8.676 5.074 -4.494 1.00 0.00 C ATOM 328 CD1 LEU A 22 7.836 5.001 -5.758 1.00 0.00 C ATOM 329 CD2 LEU A 22 8.680 3.736 -3.771 1.00 0.00 C ATOM 0 H LEU A 22 10.664 7.828 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 22 10.507 5.425 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.056 6.396 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.584 4.726 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 22 8.232 5.816 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.824 4.687 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.804 5.983 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.277 4.281 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.655 3.441 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.143 2.981 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.245 3.826 -2.843 1.00 0.00 H new ATOM 341 N PRO A 23 13.178 5.633 -4.721 1.00 0.00 N ATOM 342 CA PRO A 23 14.512 5.060 -4.940 1.00 0.00 C ATOM 343 C PRO A 23 15.471 5.354 -3.791 1.00 0.00 C ATOM 344 O PRO A 23 16.542 4.755 -3.692 1.00 0.00 O ATOM 345 CB PRO A 23 14.992 5.751 -6.220 1.00 0.00 C ATOM 346 CG PRO A 23 14.230 7.029 -6.272 1.00 0.00 C ATOM 347 CD PRO A 23 12.891 6.735 -5.661 1.00 0.00 C ATOM 0 HA PRO A 23 14.477 3.973 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.066 5.932 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.795 5.137 -7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.747 7.815 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.123 7.378 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.484 7.606 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.161 6.440 -6.415 1.00 0.00 H new ATOM 355 N THR A 24 15.076 6.281 -2.929 1.00 0.00 N ATOM 356 CA THR A 24 15.901 6.679 -1.793 1.00 0.00 C ATOM 357 C THR A 24 15.607 5.867 -0.530 1.00 0.00 C ATOM 358 O THR A 24 16.529 5.480 0.189 1.00 0.00 O ATOM 359 CB THR A 24 15.713 8.177 -1.489 1.00 0.00 C ATOM 360 OG1 THR A 24 16.420 8.965 -2.453 1.00 0.00 O ATOM 361 CG2 THR A 24 16.197 8.524 -0.093 1.00 0.00 C ATOM 0 H THR A 24 14.186 6.774 -2.994 1.00 0.00 H new ATOM 0 HA THR A 24 16.934 6.480 -2.080 1.00 0.00 H new ATOM 0 HB THR A 24 14.647 8.398 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.792 9.297 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.050 9.589 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.633 7.949 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.257 8.284 -0.005 1.00 0.00 H new ATOM 369 N TYR A 25 14.334 5.607 -0.260 1.00 0.00 N ATOM 370 CA TYR A 25 13.954 4.867 0.943 1.00 0.00 C ATOM 371 C TYR A 25 13.444 3.463 0.625 1.00 0.00 C ATOM 372 O TYR A 25 13.650 2.533 1.404 1.00 0.00 O ATOM 373 CB TYR A 25 12.898 5.644 1.728 1.00 0.00 C ATOM 374 CG TYR A 25 13.434 6.906 2.366 1.00 0.00 C ATOM 375 CD1 TYR A 25 14.075 6.865 3.597 1.00 0.00 C ATOM 376 CD2 TYR A 25 13.303 8.136 1.735 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.570 8.015 4.182 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.797 9.291 2.312 1.00 0.00 C ATOM 379 CZ TYR A 25 14.429 9.225 3.536 1.00 0.00 C ATOM 380 OH TYR A 25 14.921 10.372 4.115 1.00 0.00 O ATOM 0 H TYR A 25 13.552 5.893 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 25 14.852 4.755 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.077 5.904 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.486 5.000 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.189 5.919 4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.807 8.191 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 25 15.065 7.966 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.689 10.240 1.807 1.00 0.00 H new ATOM 0 HH TYR A 25 14.740 11.137 3.530 1.00 0.00 H new ATOM 390 N PHE A 26 12.781 3.310 -0.514 1.00 0.00 N ATOM 391 CA PHE A 26 12.247 2.013 -0.910 1.00 0.00 C ATOM 392 C PHE A 26 13.275 1.236 -1.725 1.00 0.00 C ATOM 393 O PHE A 26 13.404 0.019 -1.587 1.00 0.00 O ATOM 394 CB PHE A 26 10.959 2.196 -1.715 1.00 0.00 C ATOM 395 CG PHE A 26 9.972 1.077 -1.540 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.542 0.705 -0.275 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.474 0.397 -2.639 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.634 -0.325 -0.113 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.567 -0.634 -2.482 1.00 0.00 C ATOM 400 CZ PHE A 26 8.146 -0.995 -1.217 1.00 0.00 C ATOM 0 H PHE A 26 12.601 4.064 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 26 12.020 1.442 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.487 3.134 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.211 2.284 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.920 1.225 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.798 0.676 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.307 -0.605 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.188 -1.157 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.437 -1.800 -1.092 1.00 0.00 H new ATOM 410 N GLY A 27 14.005 1.950 -2.576 1.00 0.00 N ATOM 411 CA GLY A 27 15.019 1.324 -3.399 1.00 0.00 C ATOM 412 C GLY A 27 14.997 1.844 -4.823 1.00 0.00 C ATOM 413 O GLY A 27 13.927 1.980 -5.414 1.00 0.00 O ATOM 0 H GLY A 27 13.910 2.957 -2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.002 1.504 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.866 0.245 -3.405 1.00 0.00 H new ATOM 417 N PRO A 28 16.170 2.147 -5.406 1.00 0.00 N ATOM 418 CA PRO A 28 16.257 2.661 -6.776 1.00 0.00 C ATOM 419 C PRO A 28 15.615 1.719 -7.782 1.00 0.00 C ATOM 420 O PRO A 28 15.245 2.126 -8.882 1.00 0.00 O ATOM 421 CB PRO A 28 17.765 2.780 -7.033 1.00 0.00 C ATOM 422 CG PRO A 28 18.413 1.950 -5.977 1.00 0.00 C ATOM 423 CD PRO A 28 17.497 2.005 -4.788 1.00 0.00 C ATOM 0 HA PRO A 28 15.726 3.606 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.023 2.421 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.093 3.818 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.550 0.923 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.401 2.338 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.566 1.102 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.731 2.846 -4.135 1.00 0.00 H new ATOM 431 N ARG A 29 15.491 0.455 -7.398 1.00 0.00 N ATOM 432 CA ARG A 29 14.886 -0.546 -8.262 1.00 0.00 C ATOM 433 C ARG A 29 13.405 -0.727 -7.941 1.00 0.00 C ATOM 434 O ARG A 29 12.579 -0.852 -8.844 1.00 0.00 O ATOM 435 CB ARG A 29 15.628 -1.880 -8.120 1.00 0.00 C ATOM 436 CG ARG A 29 14.982 -3.032 -8.874 1.00 0.00 C ATOM 437 CD ARG A 29 14.025 -3.814 -7.988 1.00 0.00 C ATOM 438 NE ARG A 29 13.393 -4.920 -8.702 1.00 0.00 N ATOM 439 CZ ARG A 29 13.044 -6.067 -8.125 1.00 0.00 C ATOM 440 NH1 ARG A 29 13.272 -6.259 -6.832 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.467 -7.022 -8.840 1.00 0.00 N ATOM 0 H ARG A 29 15.802 0.100 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 29 14.967 -0.201 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.651 -1.755 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.688 -2.140 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.444 -2.645 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.756 -3.700 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.566 -4.202 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.256 -3.143 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 29 13.209 -4.807 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.716 -5.526 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.004 -7.139 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.290 -6.878 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.200 -7.901 -8.396 1.00 0.00 H new ATOM 455 N LEU A 30 13.073 -0.739 -6.652 1.00 0.00 N ATOM 456 CA LEU A 30 11.697 -0.923 -6.205 1.00 0.00 C ATOM 457 C LEU A 30 10.788 0.233 -6.608 1.00 0.00 C ATOM 458 O LEU A 30 9.625 0.019 -6.924 1.00 0.00 O ATOM 459 CB LEU A 30 11.668 -1.073 -4.682 1.00 0.00 C ATOM 460 CG LEU A 30 12.197 -2.403 -4.137 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.699 -2.515 -4.356 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.864 -2.536 -2.659 1.00 0.00 C ATOM 0 H LEU A 30 13.746 -0.622 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 30 11.321 -1.823 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.252 -0.264 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.640 -0.945 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 30 11.712 -3.215 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.054 -3.467 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.916 -2.460 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.204 -1.698 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.246 -3.486 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.325 -1.717 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.783 -2.501 -2.525 1.00 0.00 H new ATOM 474 N MET A 31 11.314 1.454 -6.569 1.00 0.00 N ATOM 475 CA MET A 31 10.536 2.647 -6.912 1.00 0.00 C ATOM 476 C MET A 31 9.452 2.371 -7.955 1.00 0.00 C ATOM 477 O MET A 31 8.330 2.856 -7.825 1.00 0.00 O ATOM 478 CB MET A 31 11.467 3.755 -7.403 1.00 0.00 C ATOM 479 CG MET A 31 12.461 3.293 -8.455 1.00 0.00 C ATOM 480 SD MET A 31 12.202 4.093 -10.050 1.00 0.00 S ATOM 481 CE MET A 31 13.567 3.423 -10.997 1.00 0.00 C ATOM 0 H MET A 31 12.280 1.647 -6.302 1.00 0.00 H new ATOM 0 HA MET A 31 10.026 2.966 -6.003 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.867 4.567 -7.814 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.014 4.162 -6.552 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.474 3.500 -8.109 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.380 2.213 -8.577 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.452 3.697 -12.046 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.506 3.826 -10.618 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.575 2.337 -10.905 1.00 0.00 H new ATOM 491 N MET A 32 9.779 1.596 -8.983 1.00 0.00 N ATOM 492 CA MET A 32 8.811 1.277 -10.028 1.00 0.00 C ATOM 493 C MET A 32 8.205 -0.104 -9.802 1.00 0.00 C ATOM 494 O MET A 32 7.024 -0.327 -10.068 1.00 0.00 O ATOM 495 CB MET A 32 9.469 1.339 -11.407 1.00 0.00 C ATOM 496 CG MET A 32 10.578 0.317 -11.600 1.00 0.00 C ATOM 497 SD MET A 32 11.169 0.242 -13.302 1.00 0.00 S ATOM 498 CE MET A 32 11.714 1.931 -13.550 1.00 0.00 C ATOM 0 H MET A 32 10.700 1.179 -9.116 1.00 0.00 H new ATOM 0 HA MET A 32 8.013 2.018 -9.985 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.707 1.184 -12.171 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.877 2.338 -11.561 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.411 0.562 -10.941 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.215 -0.667 -11.302 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.142 2.383 -14.360 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.559 2.502 -12.634 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.773 1.938 -13.807 1.00 0.00 H new ATOM 508 N ARG A 33 9.025 -1.026 -9.311 1.00 0.00 N ATOM 509 CA ARG A 33 8.578 -2.388 -9.049 1.00 0.00 C ATOM 510 C ARG A 33 7.567 -2.426 -7.909 1.00 0.00 C ATOM 511 O ARG A 33 6.867 -3.421 -7.725 1.00 0.00 O ATOM 512 CB ARG A 33 9.773 -3.281 -8.713 1.00 0.00 C ATOM 513 CG ARG A 33 10.809 -3.356 -9.824 1.00 0.00 C ATOM 514 CD ARG A 33 10.267 -4.079 -11.046 1.00 0.00 C ATOM 515 NE ARG A 33 9.890 -5.457 -10.744 1.00 0.00 N ATOM 516 CZ ARG A 33 9.373 -6.294 -11.640 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.172 -5.893 -12.888 1.00 0.00 N ATOM 518 NH2 ARG A 33 9.056 -7.532 -11.287 1.00 0.00 N ATOM 0 H ARG A 33 10.005 -0.854 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 33 8.092 -2.761 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.251 -2.909 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.414 -4.287 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.117 -2.349 -10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.697 -3.872 -9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.400 -3.542 -11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.020 -4.074 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 33 10.031 -5.797 -9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.414 -4.941 -13.163 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.776 -6.537 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.208 -7.844 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.660 -8.173 -11.975 1.00 0.00 H new ATOM 532 N GLY A 34 7.492 -1.339 -7.144 1.00 0.00 N ATOM 533 CA GLY A 34 6.564 -1.283 -6.032 1.00 0.00 C ATOM 534 C GLY A 34 5.385 -0.376 -6.307 1.00 0.00 C ATOM 535 O GLY A 34 4.246 -0.723 -6.000 1.00 0.00 O ATOM 0 H GLY A 34 8.056 -0.500 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.202 -2.288 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.088 -0.933 -5.143 1.00 0.00 H new ATOM 539 N GLU A 35 5.653 0.786 -6.896 1.00 0.00 N ATOM 540 CA GLU A 35 4.595 1.739 -7.206 1.00 0.00 C ATOM 541 C GLU A 35 3.560 1.102 -8.123 1.00 0.00 C ATOM 542 O GLU A 35 2.358 1.315 -7.964 1.00 0.00 O ATOM 543 CB GLU A 35 5.173 2.999 -7.860 1.00 0.00 C ATOM 544 CG GLU A 35 5.727 2.767 -9.258 1.00 0.00 C ATOM 545 CD GLU A 35 6.187 4.050 -9.923 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.344 4.733 -10.542 1.00 0.00 O ATOM 547 OE2 GLU A 35 7.390 4.372 -9.826 1.00 0.00 O ATOM 0 H GLU A 35 6.589 1.088 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 35 4.111 2.025 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.395 3.761 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.966 3.395 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.564 2.071 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.961 2.297 -9.875 1.00 0.00 H new ATOM 554 N ALA A 36 4.037 0.319 -9.087 1.00 0.00 N ATOM 555 CA ALA A 36 3.150 -0.354 -10.029 1.00 0.00 C ATOM 556 C ALA A 36 2.479 -1.573 -9.400 1.00 0.00 C ATOM 557 O ALA A 36 1.398 -1.984 -9.823 1.00 0.00 O ATOM 558 CB ALA A 36 3.922 -0.762 -11.276 1.00 0.00 C ATOM 0 H ALA A 36 5.029 0.136 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 36 2.364 0.349 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.250 -1.264 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.341 0.125 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.729 -1.440 -10.999 1.00 0.00 H new ATOM 564 N LEU A 37 3.124 -2.155 -8.394 1.00 0.00 N ATOM 565 CA LEU A 37 2.584 -3.330 -7.719 1.00 0.00 C ATOM 566 C LEU A 37 1.435 -2.972 -6.781 1.00 0.00 C ATOM 567 O LEU A 37 0.491 -3.746 -6.627 1.00 0.00 O ATOM 568 CB LEU A 37 3.683 -4.040 -6.935 1.00 0.00 C ATOM 569 CG LEU A 37 3.827 -5.530 -7.241 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.504 -5.736 -8.587 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.604 -6.229 -6.135 1.00 0.00 C ATOM 0 H LEU A 37 4.020 -1.833 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 37 2.193 -3.995 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.633 -3.547 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.486 -3.919 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 37 2.831 -5.970 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.598 -6.803 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.906 -5.271 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.495 -5.282 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.697 -7.289 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.597 -5.787 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.075 -6.112 -5.189 1.00 0.00 H new ATOM 583 N VAL A 38 1.511 -1.801 -6.159 1.00 0.00 N ATOM 584 CA VAL A 38 0.468 -1.374 -5.232 1.00 0.00 C ATOM 585 C VAL A 38 -0.812 -1.030 -5.982 1.00 0.00 C ATOM 586 O VAL A 38 -1.912 -1.343 -5.529 1.00 0.00 O ATOM 587 CB VAL A 38 0.906 -0.165 -4.380 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.269 -0.421 -3.760 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.922 1.111 -5.204 1.00 0.00 C ATOM 0 H VAL A 38 2.275 -1.136 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 38 0.283 -2.212 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 38 0.178 -0.034 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.564 0.441 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.219 -1.304 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.003 -0.584 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.235 1.946 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.620 1.000 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.077 1.305 -5.594 1.00 0.00 H new ATOM 599 N TYR A 39 -0.658 -0.389 -7.134 1.00 0.00 N ATOM 600 CA TYR A 39 -1.801 -0.009 -7.952 1.00 0.00 C ATOM 601 C TYR A 39 -2.338 -1.219 -8.713 1.00 0.00 C ATOM 602 O TYR A 39 -3.492 -1.234 -9.144 1.00 0.00 O ATOM 603 CB TYR A 39 -1.407 1.116 -8.918 1.00 0.00 C ATOM 604 CG TYR A 39 -1.377 0.711 -10.376 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.235 0.158 -10.938 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.490 0.887 -11.190 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.200 -0.209 -12.269 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.465 0.520 -12.522 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.317 -0.026 -13.057 1.00 0.00 C ATOM 610 OH TYR A 39 -1.287 -0.392 -14.383 1.00 0.00 O ATOM 0 H TYR A 39 0.247 -0.122 -7.522 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.594 0.359 -7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.108 1.942 -8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.422 1.490 -8.638 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.641 0.012 -10.324 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.389 1.318 -10.775 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.697 -0.637 -12.691 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.339 0.660 -13.140 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.154 -0.198 -14.796 1.00 0.00 H new ATOM 620 N ALA A 40 -1.491 -2.233 -8.869 1.00 0.00 N ATOM 621 CA ALA A 40 -1.875 -3.451 -9.570 1.00 0.00 C ATOM 622 C ALA A 40 -2.981 -4.183 -8.818 1.00 0.00 C ATOM 623 O ALA A 40 -3.883 -4.758 -9.425 1.00 0.00 O ATOM 624 CB ALA A 40 -0.668 -4.359 -9.754 1.00 0.00 C ATOM 0 H ALA A 40 -0.533 -2.233 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.257 -3.174 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.971 -5.265 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.093 -3.839 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.260 -4.624 -8.779 1.00 0.00 H new ATOM 630 N TRP A 41 -2.899 -4.159 -7.492 1.00 0.00 N ATOM 631 CA TRP A 41 -3.894 -4.813 -6.652 1.00 0.00 C ATOM 632 C TRP A 41 -5.108 -3.912 -6.453 1.00 0.00 C ATOM 633 O TRP A 41 -6.230 -4.391 -6.292 1.00 0.00 O ATOM 634 CB TRP A 41 -3.287 -5.182 -5.297 1.00 0.00 C ATOM 635 CG TRP A 41 -2.256 -6.266 -5.379 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.900 -6.111 -5.443 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.500 -7.678 -5.406 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.288 -7.338 -5.507 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.248 -8.316 -5.486 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.655 -8.463 -5.369 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.119 -9.702 -5.531 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.526 -9.839 -5.414 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.267 -10.446 -5.493 1.00 0.00 C ATOM 0 H TRP A 41 -2.153 -3.693 -6.976 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.218 -5.725 -7.154 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.834 -4.294 -4.857 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.084 -5.500 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.385 -5.162 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.718 -7.496 -5.561 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.630 -8.004 -5.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.149 -10.172 -5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.412 -10.456 -5.388 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.200 -11.523 -5.525 1.00 0.00 H new ATOM 654 N MET A 42 -4.873 -2.603 -6.462 1.00 0.00 N ATOM 655 CA MET A 42 -5.941 -1.630 -6.286 1.00 0.00 C ATOM 656 C MET A 42 -7.003 -1.776 -7.375 1.00 0.00 C ATOM 657 O MET A 42 -8.197 -1.631 -7.117 1.00 0.00 O ATOM 658 CB MET A 42 -5.366 -0.215 -6.308 1.00 0.00 C ATOM 659 CG MET A 42 -6.275 0.812 -5.666 1.00 0.00 C ATOM 660 SD MET A 42 -6.665 0.410 -3.953 1.00 0.00 S ATOM 661 CE MET A 42 -7.755 1.765 -3.536 1.00 0.00 C ATOM 0 H MET A 42 -3.948 -2.193 -6.590 1.00 0.00 H new ATOM 0 HA MET A 42 -6.413 -1.815 -5.321 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.406 -0.213 -5.792 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.174 0.075 -7.341 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.798 1.791 -5.707 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.199 0.884 -6.239 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.873 1.817 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.329 2.700 -3.900 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.728 1.605 -3.999 1.00 0.00 H new ATOM 671 N ARG A 43 -6.553 -2.064 -8.592 1.00 0.00 N ATOM 672 CA ARG A 43 -7.457 -2.227 -9.727 1.00 0.00 C ATOM 673 C ARG A 43 -8.120 -3.603 -9.713 1.00 0.00 C ATOM 674 O ARG A 43 -8.981 -3.895 -10.545 1.00 0.00 O ATOM 675 CB ARG A 43 -6.702 -2.022 -11.040 1.00 0.00 C ATOM 676 CG ARG A 43 -5.540 -2.982 -11.230 1.00 0.00 C ATOM 677 CD ARG A 43 -4.753 -2.658 -12.489 1.00 0.00 C ATOM 678 NE ARG A 43 -5.567 -2.790 -13.694 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.114 -2.544 -14.919 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.860 -2.153 -15.102 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.917 -2.688 -15.966 1.00 0.00 N ATOM 0 H ARG A 43 -5.566 -2.190 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.239 -1.472 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.398 -2.138 -11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.327 -0.999 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.880 -2.933 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.916 -4.004 -11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.366 -1.641 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.892 -3.323 -12.559 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.537 -3.088 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.239 -2.040 -14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.517 -1.965 -16.044 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.883 -2.988 -15.831 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.569 -2.499 -16.906 1.00 0.00 H new ATOM 695 N ARG A 44 -7.714 -4.445 -8.768 1.00 0.00 N ATOM 696 CA ARG A 44 -8.271 -5.790 -8.648 1.00 0.00 C ATOM 697 C ARG A 44 -9.424 -5.815 -7.648 1.00 0.00 C ATOM 698 O ARG A 44 -10.198 -6.771 -7.599 1.00 0.00 O ATOM 699 CB ARG A 44 -7.183 -6.777 -8.219 1.00 0.00 C ATOM 700 CG ARG A 44 -6.094 -6.970 -9.262 1.00 0.00 C ATOM 701 CD ARG A 44 -5.069 -7.999 -8.813 1.00 0.00 C ATOM 702 NE ARG A 44 -4.007 -8.180 -9.799 1.00 0.00 N ATOM 703 CZ ARG A 44 -3.088 -9.139 -9.726 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.103 -10.001 -8.718 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.154 -9.236 -10.662 1.00 0.00 N ATOM 0 H ARG A 44 -7.001 -4.221 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.656 -6.087 -9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.729 -6.425 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.643 -7.741 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.542 -7.288 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.597 -6.018 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.633 -7.686 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.566 -8.953 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.968 -7.535 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.820 -9.929 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.397 -10.735 -8.664 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.140 -8.575 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.450 -9.972 -10.605 1.00 0.00 H new ATOM 719 N LEU A 45 -9.528 -4.756 -6.854 1.00 0.00 N ATOM 720 CA LEU A 45 -10.584 -4.645 -5.853 1.00 0.00 C ATOM 721 C LEU A 45 -11.828 -3.983 -6.432 1.00 0.00 C ATOM 722 O LEU A 45 -12.932 -4.193 -5.943 1.00 0.00 O ATOM 723 CB LEU A 45 -10.104 -3.842 -4.653 1.00 0.00 C ATOM 724 CG LEU A 45 -8.657 -4.104 -4.226 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.243 -3.139 -3.125 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.488 -5.545 -3.765 1.00 0.00 C ATOM 0 H LEU A 45 -8.892 -3.959 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.838 -5.657 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.212 -2.781 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.759 -4.056 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.009 -3.941 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.212 -3.340 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.324 -2.115 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.896 -3.270 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.453 -5.712 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.146 -5.735 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.743 -6.221 -4.582 1.00 0.00 H new ATOM 738 N CYS A 46 -11.645 -3.174 -7.468 1.00 0.00 N ATOM 739 CA CYS A 46 -12.762 -2.489 -8.111 1.00 0.00 C ATOM 740 C CYS A 46 -12.841 -2.868 -9.587 1.00 0.00 C ATOM 741 O CYS A 46 -11.825 -3.171 -10.213 1.00 0.00 O ATOM 742 CB CYS A 46 -12.614 -0.973 -7.967 1.00 0.00 C ATOM 743 SG CYS A 46 -13.959 -0.025 -8.715 1.00 0.00 S ATOM 0 H CYS A 46 -10.734 -2.975 -7.882 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.684 -2.800 -7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.554 -0.724 -6.908 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.672 -0.666 -8.421 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.745 1.245 -8.539 1.00 0.00 H new ATOM 749 N GLU A 47 -14.051 -2.849 -10.139 1.00 0.00 N ATOM 750 CA GLU A 47 -14.256 -3.199 -11.541 1.00 0.00 C ATOM 751 C GLU A 47 -14.174 -1.968 -12.438 1.00 0.00 C ATOM 752 O GLU A 47 -13.945 -2.082 -13.642 1.00 0.00 O ATOM 753 CB GLU A 47 -15.613 -3.882 -11.722 1.00 0.00 C ATOM 754 CG GLU A 47 -16.792 -3.009 -11.322 1.00 0.00 C ATOM 755 CD GLU A 47 -18.128 -3.657 -11.625 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.624 -4.423 -10.772 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.680 -3.399 -12.715 1.00 0.00 O ATOM 0 H GLU A 47 -14.903 -2.596 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.462 -3.887 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.726 -4.175 -12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.632 -4.797 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.732 -2.791 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.728 -2.056 -11.847 1.00 0.00 H new ATOM 764 N ARG A 48 -14.359 -0.792 -11.846 1.00 0.00 N ATOM 765 CA ARG A 48 -14.313 0.456 -12.602 1.00 0.00 C ATOM 766 C ARG A 48 -13.078 1.276 -12.245 1.00 0.00 C ATOM 767 O ARG A 48 -12.944 2.425 -12.667 1.00 0.00 O ATOM 768 CB ARG A 48 -15.575 1.280 -12.339 1.00 0.00 C ATOM 769 CG ARG A 48 -16.860 0.566 -12.726 1.00 0.00 C ATOM 770 CD ARG A 48 -18.082 1.415 -12.417 1.00 0.00 C ATOM 771 NE ARG A 48 -19.326 0.735 -12.766 1.00 0.00 N ATOM 772 CZ ARG A 48 -20.532 1.188 -12.439 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.656 2.318 -11.756 1.00 0.00 N ATOM 774 NH2 ARG A 48 -21.616 0.511 -12.794 1.00 0.00 N ATOM 0 H ARG A 48 -14.542 -0.677 -10.849 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.260 0.202 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.617 1.537 -11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.509 2.217 -12.892 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.840 0.329 -13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.928 -0.380 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.091 1.664 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.017 2.355 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.266 -0.138 -13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.825 2.841 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.582 2.664 -11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.525 -0.359 -13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.541 0.860 -12.542 1.00 0.00 H new ATOM 788 N TYR A 49 -12.179 0.684 -11.466 1.00 0.00 N ATOM 789 CA TYR A 49 -10.959 1.366 -11.054 1.00 0.00 C ATOM 790 C TYR A 49 -10.051 1.632 -12.248 1.00 0.00 C ATOM 791 O TYR A 49 -9.152 0.847 -12.550 1.00 0.00 O ATOM 792 CB TYR A 49 -10.211 0.541 -10.006 1.00 0.00 C ATOM 793 CG TYR A 49 -9.592 1.382 -8.915 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.433 2.114 -9.145 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.172 1.450 -7.656 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.872 2.889 -8.149 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.616 2.222 -6.655 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.466 2.940 -6.906 1.00 0.00 C ATOM 799 OH TYR A 49 -7.910 3.712 -5.913 1.00 0.00 O ATOM 0 H TYR A 49 -12.273 -0.266 -11.108 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.244 2.323 -10.616 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.900 -0.174 -9.557 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.428 -0.036 -10.499 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.964 2.076 -10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.073 0.890 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.972 3.453 -8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.080 2.263 -5.680 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.616 4.033 -5.314 1.00 0.00 H new ATOM 809 N ASN A 50 -10.302 2.743 -12.929 1.00 0.00 N ATOM 810 CA ASN A 50 -9.510 3.127 -14.092 1.00 0.00 C ATOM 811 C ASN A 50 -8.160 3.695 -13.663 1.00 0.00 C ATOM 812 O ASN A 50 -7.109 3.189 -14.057 1.00 0.00 O ATOM 813 CB ASN A 50 -10.266 4.158 -14.932 1.00 0.00 C ATOM 814 CG ASN A 50 -11.668 3.701 -15.291 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.852 2.392 -15.421 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.576 4.517 -15.450 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.050 3.396 -12.696 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.336 2.236 -14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.323 5.098 -14.383 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.707 4.357 -15.846 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.391 5.514 -15.340 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.514 4.196 -15.691 1.00 0.00 H new ATOM 823 N GLY A 51 -8.198 4.750 -12.854 1.00 0.00 N ATOM 824 CA GLY A 51 -6.975 5.372 -12.382 1.00 0.00 C ATOM 825 C GLY A 51 -7.215 6.290 -11.198 1.00 0.00 C ATOM 826 O GLY A 51 -8.340 6.730 -10.966 1.00 0.00 O ATOM 0 H GLY A 51 -9.056 5.186 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.262 4.598 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.523 5.941 -13.194 1.00 0.00 H new ATOM 830 N ALA A 52 -6.155 6.579 -10.447 1.00 0.00 N ATOM 831 CA ALA A 52 -6.262 7.448 -9.282 1.00 0.00 C ATOM 832 C ALA A 52 -4.938 8.146 -8.991 1.00 0.00 C ATOM 833 O ALA A 52 -3.871 7.632 -9.323 1.00 0.00 O ATOM 834 CB ALA A 52 -6.710 6.645 -8.072 1.00 0.00 C ATOM 0 H ALA A 52 -5.215 6.224 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.006 8.215 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.787 7.303 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.682 6.195 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.983 5.860 -7.867 1.00 0.00 H new ATOM 840 N TYR A 53 -5.015 9.321 -8.371 1.00 0.00 N ATOM 841 CA TYR A 53 -3.827 10.082 -8.033 1.00 0.00 C ATOM 842 C TYR A 53 -3.148 9.532 -6.788 1.00 0.00 C ATOM 843 O TYR A 53 -3.492 9.900 -5.667 1.00 0.00 O ATOM 844 CB TYR A 53 -4.187 11.540 -7.805 1.00 0.00 C ATOM 845 CG TYR A 53 -3.320 12.481 -8.584 1.00 0.00 C ATOM 846 CD1 TYR A 53 -2.010 12.724 -8.200 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.809 13.119 -9.708 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.208 13.584 -8.922 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.019 13.979 -10.437 1.00 0.00 C ATOM 850 CZ TYR A 53 -1.718 14.211 -10.041 1.00 0.00 C ATOM 851 OH TYR A 53 -0.923 15.070 -10.767 1.00 0.00 O ATOM 0 H TYR A 53 -5.892 9.763 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.134 9.998 -8.870 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.229 11.700 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.101 11.769 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.612 12.234 -7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.827 12.940 -10.020 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.189 13.765 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.415 14.469 -11.314 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.433 15.426 -11.524 1.00 0.00 H new ATOM 861 N TRP A 54 -2.191 8.644 -6.993 1.00 0.00 N ATOM 862 CA TRP A 54 -1.460 8.049 -5.893 1.00 0.00 C ATOM 863 C TRP A 54 -0.606 9.082 -5.166 1.00 0.00 C ATOM 864 O TRP A 54 -0.179 10.082 -5.742 1.00 0.00 O ATOM 865 CB TRP A 54 -0.585 6.905 -6.407 1.00 0.00 C ATOM 866 CG TRP A 54 -1.275 6.059 -7.434 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.565 5.611 -7.396 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.714 5.561 -8.654 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.842 4.871 -8.516 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.721 4.822 -9.305 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.541 5.669 -9.260 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.511 4.196 -10.530 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.749 5.046 -10.476 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.272 4.318 -11.100 1.00 0.00 C ATOM 0 H TRP A 54 -1.903 8.319 -7.916 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.184 7.657 -5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.328 7.317 -6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.286 6.277 -5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.265 5.811 -6.599 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.736 4.429 -8.728 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.334 6.229 -8.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.297 3.634 -11.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.715 5.122 -10.953 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.078 3.843 -12.050 1.00 0.00 H new ATOM 885 N HIS A 55 -0.377 8.813 -3.893 1.00 0.00 N ATOM 886 CA HIS A 55 0.428 9.680 -3.038 1.00 0.00 C ATOM 887 C HIS A 55 1.418 8.860 -2.221 1.00 0.00 C ATOM 888 O HIS A 55 1.070 7.808 -1.686 1.00 0.00 O ATOM 889 CB HIS A 55 -0.462 10.479 -2.087 1.00 0.00 C ATOM 890 CG HIS A 55 -1.408 11.405 -2.776 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.067 12.683 -3.160 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.696 11.233 -3.141 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.108 13.260 -3.733 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.110 12.401 -3.734 1.00 0.00 N ATOM 0 H HIS A 55 -0.742 7.987 -3.418 1.00 0.00 H new ATOM 0 HA HIS A 55 0.974 10.367 -3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.033 9.785 -1.471 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.170 11.057 -1.413 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.154 13.116 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.290 10.343 -2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.135 14.263 -4.132 1.00 0.00 H new ATOM 903 N TYR A 56 2.652 9.343 -2.127 1.00 0.00 N ATOM 904 CA TYR A 56 3.675 8.650 -1.359 1.00 0.00 C ATOM 905 C TYR A 56 3.643 9.105 0.097 1.00 0.00 C ATOM 906 O TYR A 56 3.547 10.298 0.384 1.00 0.00 O ATOM 907 CB TYR A 56 5.061 8.890 -1.965 1.00 0.00 C ATOM 908 CG TYR A 56 5.206 8.382 -3.387 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.350 7.408 -3.895 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.199 8.877 -4.221 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.484 6.947 -5.191 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.337 8.421 -5.518 1.00 0.00 C ATOM 913 CZ TYR A 56 5.477 7.457 -5.997 1.00 0.00 C ATOM 914 OH TYR A 56 5.613 6.999 -7.289 1.00 0.00 O ATOM 0 H TYR A 56 2.965 10.206 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 56 3.467 7.581 -1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.274 9.959 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.810 8.405 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.569 7.007 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.876 9.632 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.813 6.190 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.115 8.818 -6.153 1.00 0.00 H new ATOM 0 HH TYR A 56 6.360 7.461 -7.723 1.00 0.00 H new ATOM 924 N TYR A 57 3.725 8.144 1.011 1.00 0.00 N ATOM 925 CA TYR A 57 3.691 8.446 2.438 1.00 0.00 C ATOM 926 C TYR A 57 4.941 7.938 3.151 1.00 0.00 C ATOM 927 O TYR A 57 5.483 6.886 2.811 1.00 0.00 O ATOM 928 CB TYR A 57 2.443 7.840 3.082 1.00 0.00 C ATOM 929 CG TYR A 57 1.192 8.660 2.867 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.852 9.683 3.744 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.350 8.413 1.790 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.291 10.436 3.553 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.794 9.162 1.592 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.111 10.171 2.477 1.00 0.00 C ATOM 935 OH TYR A 57 -2.249 10.919 2.284 1.00 0.00 O ATOM 0 H TYR A 57 3.815 7.152 0.790 1.00 0.00 H new ATOM 0 HA TYR A 57 3.660 9.531 2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.285 6.840 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.615 7.728 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.491 9.893 4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.594 7.622 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.541 11.228 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.437 8.958 0.748 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.714 10.605 1.481 1.00 0.00 H new ATOM 945 N ALA A 58 5.390 8.702 4.144 1.00 0.00 N ATOM 946 CA ALA A 58 6.568 8.343 4.921 1.00 0.00 C ATOM 947 C ALA A 58 6.183 7.974 6.349 1.00 0.00 C ATOM 948 O ALA A 58 5.963 8.848 7.189 1.00 0.00 O ATOM 949 CB ALA A 58 7.569 9.488 4.922 1.00 0.00 C ATOM 0 H ALA A 58 4.951 9.578 4.429 1.00 0.00 H new ATOM 0 HA ALA A 58 7.032 7.473 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.444 9.205 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.872 9.707 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.109 10.373 5.362 1.00 0.00 H new ATOM 955 N LEU A 59 6.098 6.677 6.614 1.00 0.00 N ATOM 956 CA LEU A 59 5.733 6.186 7.936 1.00 0.00 C ATOM 957 C LEU A 59 6.891 6.328 8.916 1.00 0.00 C ATOM 958 O LEU A 59 8.055 6.173 8.546 1.00 0.00 O ATOM 959 CB LEU A 59 5.295 4.725 7.842 1.00 0.00 C ATOM 960 CG LEU A 59 3.894 4.514 7.268 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.782 3.142 6.625 1.00 0.00 C ATOM 962 CD2 LEU A 59 2.846 4.680 8.355 1.00 0.00 C ATOM 0 H LEU A 59 6.278 5.944 5.928 1.00 0.00 H new ATOM 0 HA LEU A 59 4.904 6.788 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.011 4.184 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.335 4.283 8.838 1.00 0.00 H new ATOM 0 HG LEU A 59 3.718 5.268 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.778 3.010 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.511 3.057 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.977 2.373 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.854 4.527 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.020 3.948 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.911 5.685 8.772 1.00 0.00 H new ATOM 974 N SER A 60 6.561 6.627 10.169 1.00 0.00 N ATOM 975 CA SER A 60 7.571 6.793 11.208 1.00 0.00 C ATOM 976 C SER A 60 8.141 5.441 11.616 1.00 0.00 C ATOM 977 O SER A 60 9.151 5.363 12.317 1.00 0.00 O ATOM 978 CB SER A 60 6.970 7.497 12.426 1.00 0.00 C ATOM 979 OG SER A 60 7.947 7.706 13.431 1.00 0.00 O ATOM 0 H SER A 60 5.602 6.759 10.489 1.00 0.00 H new ATOM 0 HA SER A 60 8.378 7.407 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.545 8.454 12.123 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.153 6.899 12.829 1.00 0.00 H new ATOM 0 HG SER A 60 8.672 7.056 13.323 1.00 0.00 H new ATOM 985 N ASP A 61 7.484 4.379 11.167 1.00 0.00 N ATOM 986 CA ASP A 61 7.913 3.022 11.475 1.00 0.00 C ATOM 987 C ASP A 61 9.038 2.583 10.543 1.00 0.00 C ATOM 988 O ASP A 61 9.786 1.654 10.850 1.00 0.00 O ATOM 989 CB ASP A 61 6.731 2.060 11.356 1.00 0.00 C ATOM 990 CG ASP A 61 6.030 2.171 10.015 1.00 0.00 C ATOM 991 OD1 ASP A 61 6.673 1.887 8.983 1.00 0.00 O ATOM 992 OD2 ASP A 61 4.836 2.536 9.995 1.00 0.00 O ATOM 0 H ASP A 61 6.648 4.433 10.585 1.00 0.00 H new ATOM 0 HA ASP A 61 8.288 3.005 12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.082 1.038 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.018 2.264 12.154 1.00 0.00 H new ATOM 997 N GLY A 62 9.152 3.258 9.403 1.00 0.00 N ATOM 998 CA GLY A 62 10.186 2.924 8.440 1.00 0.00 C ATOM 999 C GLY A 62 9.704 1.940 7.393 1.00 0.00 C ATOM 1000 O GLY A 62 10.467 1.091 6.932 1.00 0.00 O ATOM 0 H GLY A 62 8.546 4.031 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.529 3.835 7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.044 2.502 8.964 1.00 0.00 H new ATOM 1004 N GLY A 63 8.434 2.054 7.018 1.00 0.00 N ATOM 1005 CA GLY A 63 7.868 1.162 6.023 1.00 0.00 C ATOM 1006 C GLY A 63 7.487 1.879 4.745 1.00 0.00 C ATOM 1007 O GLY A 63 7.727 1.372 3.648 1.00 0.00 O ATOM 0 H GLY A 63 7.786 2.750 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.588 0.377 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.986 0.674 6.438 1.00 0.00 H new ATOM 1011 N PHE A 64 6.894 3.064 4.888 1.00 0.00 N ATOM 1012 CA PHE A 64 6.470 3.864 3.740 1.00 0.00 C ATOM 1013 C PHE A 64 5.375 3.148 2.953 1.00 0.00 C ATOM 1014 O PHE A 64 5.556 2.015 2.508 1.00 0.00 O ATOM 1015 CB PHE A 64 7.661 4.163 2.824 1.00 0.00 C ATOM 1016 CG PHE A 64 8.890 4.614 3.562 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.953 5.878 4.127 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.983 3.772 3.690 1.00 0.00 C ATOM 1019 CE1 PHE A 64 10.082 6.292 4.807 1.00 0.00 C ATOM 1020 CE2 PHE A 64 11.114 4.180 4.369 1.00 0.00 C ATOM 1021 CZ PHE A 64 11.164 5.442 4.928 1.00 0.00 C ATOM 0 H PHE A 64 6.696 3.492 5.792 1.00 0.00 H new ATOM 0 HA PHE A 64 6.069 4.805 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.900 3.268 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.374 4.934 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.110 6.547 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.950 2.785 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.119 7.279 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.958 3.513 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.048 5.764 5.459 1.00 0.00 H new ATOM 1031 N TYR A 65 4.238 3.816 2.781 1.00 0.00 N ATOM 1032 CA TYR A 65 3.120 3.230 2.048 1.00 0.00 C ATOM 1033 C TYR A 65 2.547 4.221 1.034 1.00 0.00 C ATOM 1034 O TYR A 65 2.834 5.417 1.087 1.00 0.00 O ATOM 1035 CB TYR A 65 2.030 2.766 3.022 1.00 0.00 C ATOM 1036 CG TYR A 65 1.007 3.826 3.366 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.234 4.741 4.388 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.190 3.909 2.666 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.296 5.706 4.702 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.131 4.872 2.973 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.883 5.768 3.991 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.818 6.728 4.300 1.00 0.00 O ATOM 0 H TYR A 65 4.067 4.757 3.136 1.00 0.00 H new ATOM 0 HA TYR A 65 3.490 2.364 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.515 1.908 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.504 2.423 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.158 4.697 4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.388 3.209 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.486 6.408 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.056 4.923 2.418 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.591 6.635 3.705 1.00 0.00 H new ATOM 1052 N MET A 66 1.734 3.709 0.114 1.00 0.00 N ATOM 1053 CA MET A 66 1.115 4.537 -0.918 1.00 0.00 C ATOM 1054 C MET A 66 -0.408 4.455 -0.844 1.00 0.00 C ATOM 1055 O MET A 66 -0.968 3.386 -0.600 1.00 0.00 O ATOM 1056 CB MET A 66 1.586 4.090 -2.305 1.00 0.00 C ATOM 1057 CG MET A 66 3.074 4.290 -2.542 1.00 0.00 C ATOM 1058 SD MET A 66 3.674 3.398 -3.991 1.00 0.00 S ATOM 1059 CE MET A 66 2.567 4.012 -5.261 1.00 0.00 C ATOM 0 H MET A 66 1.488 2.721 0.062 1.00 0.00 H new ATOM 0 HA MET A 66 1.416 5.570 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.345 3.035 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.030 4.642 -3.063 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.279 5.354 -2.665 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.626 3.959 -1.662 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.027 3.879 -6.240 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.628 3.460 -5.223 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.372 5.071 -5.093 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.075 5.588 -1.054 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.533 5.632 -1.013 1.00 0.00 C ATOM 1071 C ALA A 67 -3.094 6.530 -2.115 1.00 0.00 C ATOM 1072 O ALA A 67 -2.719 7.697 -2.221 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.006 6.114 0.350 1.00 0.00 C ATOM 0 H ALA A 67 -0.630 6.484 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.904 4.621 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.095 6.142 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.648 5.432 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.614 7.113 0.539 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.004 5.994 -2.952 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.621 6.758 -4.042 1.00 0.00 C ATOM 1081 C PRO A 68 -5.397 7.962 -3.518 1.00 0.00 C ATOM 1082 O PRO A 68 -5.614 8.092 -2.314 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.566 5.751 -4.709 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.079 4.412 -4.275 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.499 4.608 -2.905 1.00 0.00 C ATOM 0 HA PRO A 68 -3.879 7.167 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.598 5.914 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.541 5.846 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.894 3.688 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.328 4.027 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.249 4.473 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.696 3.899 -2.701 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.813 8.843 -4.424 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.549 10.042 -4.033 1.00 0.00 C ATOM 1095 C ASP A 69 -8.002 10.004 -4.504 1.00 0.00 C ATOM 1096 O ASP A 69 -8.317 10.443 -5.611 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.854 11.283 -4.591 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.453 12.571 -4.064 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -7.410 13.078 -4.684 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -5.964 13.074 -3.030 1.00 0.00 O ATOM 0 H ASP A 69 -5.654 8.751 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.558 10.081 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.795 11.248 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.920 11.274 -5.679 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.880 9.476 -3.655 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.306 9.395 -3.965 1.00 0.00 C ATOM 1107 C LEU A 70 -11.131 9.848 -2.765 1.00 0.00 C ATOM 1108 O LEU A 70 -11.194 9.155 -1.749 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.715 7.965 -4.347 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.082 7.398 -5.624 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.199 8.388 -6.774 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.631 7.018 -5.381 1.00 0.00 C ATOM 0 H LEU A 70 -8.628 9.096 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.497 10.051 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.464 7.304 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.799 7.937 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.627 6.496 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.743 7.963 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.251 8.598 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.687 9.314 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.201 6.618 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.071 7.900 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.579 6.263 -4.597 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.763 11.012 -2.881 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.577 11.547 -1.797 1.00 0.00 C ATOM 1126 C ALA A 71 -14.038 11.132 -1.944 1.00 0.00 C ATOM 1127 O ALA A 71 -14.734 11.587 -2.850 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.460 13.062 -1.750 1.00 0.00 C ATOM 0 H ALA A 71 -11.727 11.601 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.204 11.133 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.073 13.449 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.419 13.342 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.804 13.483 -2.695 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.494 10.264 -1.045 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.871 9.807 -1.088 1.00 0.00 C ATOM 1136 C GLY A 72 -16.004 8.321 -0.809 1.00 0.00 C ATOM 1137 O GLY A 72 -15.146 7.724 -0.158 1.00 0.00 O ATOM 0 H GLY A 72 -13.935 9.870 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.457 10.364 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.292 10.027 -2.069 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.085 7.727 -1.304 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.340 6.308 -1.112 1.00 0.00 C ATOM 1143 C ARG A 73 -17.220 5.558 -2.434 1.00 0.00 C ATOM 1144 O ARG A 73 -18.012 5.761 -3.353 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.729 6.093 -0.507 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.837 6.828 -1.246 1.00 0.00 C ATOM 1147 CD ARG A 73 -21.190 6.598 -0.592 1.00 0.00 C ATOM 1148 NE ARG A 73 -22.242 7.398 -1.214 1.00 0.00 N ATOM 1149 CZ ARG A 73 -23.511 7.385 -0.818 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -23.885 6.611 0.191 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -24.405 8.147 -1.431 1.00 0.00 N ATOM 0 H ARG A 73 -17.801 8.212 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.593 5.916 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.953 5.026 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.718 6.421 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.617 7.895 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.870 6.491 -2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.450 5.542 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.127 6.844 0.468 1.00 0.00 H new ATOM 0 HE ARG A 73 -21.989 8.001 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.199 6.024 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.859 6.602 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -24.120 8.744 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -25.378 8.137 -1.127 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.220 4.694 -2.516 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.981 3.910 -3.721 1.00 0.00 C ATOM 1167 C LEU A 74 -16.232 2.427 -3.470 1.00 0.00 C ATOM 1168 O LEU A 74 -15.673 1.842 -2.542 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.547 4.113 -4.215 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.095 5.571 -4.315 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.481 6.032 -3.001 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.105 5.742 -5.456 1.00 0.00 C ATOM 0 H LEU A 74 -15.558 4.517 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.677 4.255 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.870 3.584 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.449 3.650 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.969 6.190 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -13.166 7.071 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.220 5.945 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.618 5.410 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.793 6.785 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.233 5.112 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.578 5.452 -6.394 1.00 0.00 H new ATOM 1184 N GLU A 75 -17.074 1.824 -4.303 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.388 0.406 -4.175 1.00 0.00 C ATOM 1186 C GLU A 75 -16.157 -0.438 -4.486 1.00 0.00 C ATOM 1187 O GLU A 75 -15.777 -0.594 -5.646 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.532 0.024 -5.117 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.832 0.760 -4.835 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.444 0.377 -3.502 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.909 -0.774 -3.371 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.459 1.230 -2.589 1.00 0.00 O ATOM 0 H GLU A 75 -17.550 2.294 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.700 0.214 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.227 0.225 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.709 -1.049 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.647 1.834 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.545 0.548 -5.632 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.536 -0.978 -3.444 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.343 -1.795 -3.609 1.00 0.00 C ATOM 1201 C ILE A 76 -14.582 -3.238 -3.168 1.00 0.00 C ATOM 1202 O ILE A 76 -14.677 -3.534 -1.977 1.00 0.00 O ATOM 1203 CB ILE A 76 -13.148 -1.199 -2.830 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.458 -0.116 -3.669 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -12.158 -2.287 -2.430 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.503 -0.658 -4.711 1.00 0.00 C ATOM 0 H ILE A 76 -15.840 -0.864 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.104 -1.798 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.527 -0.743 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.220 0.484 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.912 0.552 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.327 -1.840 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.658 -3.019 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.780 -2.781 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.057 0.170 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.718 -1.233 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.046 -1.302 -5.402 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.702 -4.127 -4.149 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.908 -5.545 -3.877 1.00 0.00 C ATOM 1220 C GLU A 77 -13.565 -6.227 -3.642 1.00 0.00 C ATOM 1221 O GLU A 77 -12.823 -6.516 -4.580 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.671 -6.223 -5.021 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.055 -6.009 -6.394 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.847 -6.678 -7.499 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -15.587 -7.866 -7.781 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.728 -6.013 -8.084 1.00 0.00 O ATOM 0 H GLU A 77 -14.660 -3.890 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.515 -5.641 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.725 -7.293 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.695 -5.849 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.989 -4.940 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.037 -6.397 -6.396 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.266 -6.475 -2.375 1.00 0.00 N ATOM 1234 CA VAL A 78 -12.016 -7.091 -1.984 1.00 0.00 C ATOM 1235 C VAL A 78 -12.033 -8.590 -2.245 1.00 0.00 C ATOM 1236 O VAL A 78 -12.505 -9.360 -1.410 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.755 -6.838 -0.490 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.345 -7.229 -0.122 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -12.016 -5.380 -0.141 1.00 0.00 C ATOM 0 H VAL A 78 -13.884 -6.254 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.221 -6.646 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.442 -7.457 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.181 -7.042 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.195 -8.288 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.639 -6.640 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.826 -5.220 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.356 -4.742 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.054 -5.132 -0.365 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.524 -9.009 -3.403 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.496 -10.428 -3.743 1.00 0.00 C ATOM 1251 C ASN A 79 -10.541 -11.188 -2.830 1.00 0.00 C ATOM 1252 O ASN A 79 -10.790 -12.342 -2.483 1.00 0.00 O ATOM 1253 CB ASN A 79 -11.081 -10.614 -5.203 1.00 0.00 C ATOM 1254 CG ASN A 79 -9.644 -10.202 -5.453 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.732 -11.027 -5.413 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -9.433 -8.915 -5.706 1.00 0.00 N ATOM 0 H ASN A 79 -11.130 -8.393 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.499 -10.830 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.210 -11.659 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.741 -10.028 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.486 -8.577 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.218 -8.265 -5.730 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.437 -10.534 -2.467 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.449 -11.143 -1.587 1.00 0.00 C ATOM 1265 C GLY A 80 -9.070 -11.939 -0.454 1.00 0.00 C ATOM 1266 O GLY A 80 -8.451 -12.865 0.073 1.00 0.00 O ATOM 0 H GLY A 80 -9.208 -9.587 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.805 -11.799 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.814 -10.362 -1.169 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.294 -11.582 -0.079 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.997 -12.277 0.987 1.00 0.00 C ATOM 1272 C ASN A 81 -12.509 -12.197 0.786 1.00 0.00 C ATOM 1273 O ASN A 81 -13.281 -12.536 1.684 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.615 -11.700 2.348 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.364 -10.426 2.670 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.454 -10.464 3.241 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.779 -9.290 2.317 1.00 0.00 N ATOM 0 H ASN A 81 -10.818 -10.814 -0.499 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.701 -13.326 0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.816 -12.441 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.543 -11.502 2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.233 -8.399 2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.875 -9.307 1.845 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.926 -11.752 -0.397 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.342 -11.648 -0.698 1.00 0.00 C ATOM 1286 C GLY A 82 -15.053 -10.593 0.124 1.00 0.00 C ATOM 1287 O GLY A 82 -16.280 -10.607 0.224 1.00 0.00 O ATOM 0 H GLY A 82 -12.306 -11.461 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.466 -11.418 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.815 -12.614 -0.524 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.295 -9.673 0.713 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.891 -8.619 1.521 1.00 0.00 C ATOM 1293 C PHE A 83 -15.476 -7.521 0.647 1.00 0.00 C ATOM 1294 O PHE A 83 -14.785 -6.574 0.274 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.865 -8.020 2.484 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.419 -6.906 3.327 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.486 -7.133 4.182 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.877 -5.632 3.260 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.001 -6.110 4.956 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.389 -4.605 4.031 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.452 -4.845 4.880 1.00 0.00 C ATOM 0 H PHE A 83 -13.278 -9.637 0.646 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.696 -9.070 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.488 -8.807 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.016 -7.646 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.920 -8.120 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.046 -5.440 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.832 -6.300 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.959 -3.616 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.853 -4.044 5.484 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.751 -7.661 0.318 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.433 -6.669 -0.497 1.00 0.00 C ATOM 1313 C ARG A 84 -17.810 -5.477 0.368 1.00 0.00 C ATOM 1314 O ARG A 84 -18.765 -5.541 1.144 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.682 -7.271 -1.144 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.354 -6.346 -2.146 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.604 -6.978 -2.737 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.659 -7.140 -1.740 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.681 -7.981 -1.876 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.778 -8.743 -2.958 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -23.605 -8.062 -0.930 1.00 0.00 N ATOM 0 H ARG A 84 -17.332 -8.450 0.602 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.763 -6.341 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.410 -8.200 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.397 -7.528 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.616 -5.407 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.654 -6.105 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.971 -6.359 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.353 -7.950 -3.161 1.00 0.00 H new ATOM 0 HE ARG A 84 -21.609 -6.576 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.068 -8.685 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.563 -9.387 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -23.533 -7.479 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -24.388 -8.707 -1.036 1.00 0.00 H new ATOM 1335 N GLY A 85 -17.059 -4.390 0.238 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.341 -3.215 1.041 1.00 0.00 C ATOM 1337 C GLY A 85 -16.756 -1.941 0.472 1.00 0.00 C ATOM 1338 O GLY A 85 -15.575 -1.889 0.126 1.00 0.00 O ATOM 0 H GLY A 85 -16.269 -4.301 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.421 -3.099 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.948 -3.369 2.046 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.588 -0.909 0.373 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.149 0.380 -0.142 1.00 0.00 C ATOM 1344 C GLU A 86 -16.203 1.041 0.852 1.00 0.00 C ATOM 1345 O GLU A 86 -16.488 1.100 2.047 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.352 1.287 -0.410 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.239 1.499 0.806 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.447 2.366 0.502 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.484 1.810 0.083 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.355 3.597 0.685 1.00 0.00 O ATOM 0 H GLU A 86 -18.571 -0.942 0.643 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.621 0.220 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.995 2.255 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.949 0.856 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.575 0.532 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.655 1.962 1.601 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.075 1.535 0.355 1.00 0.00 N ATOM 1358 CA LEU A 87 -14.089 2.175 1.217 1.00 0.00 C ATOM 1359 C LEU A 87 -13.404 3.335 0.503 1.00 0.00 C ATOM 1360 O LEU A 87 -13.377 3.393 -0.726 1.00 0.00 O ATOM 1361 CB LEU A 87 -13.050 1.146 1.667 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.196 1.556 2.868 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -13.075 1.880 4.067 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.209 0.452 3.213 1.00 0.00 C ATOM 0 H LEU A 87 -14.822 1.505 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.604 2.575 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.566 0.217 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.388 0.933 0.828 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.637 2.454 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.448 2.169 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.746 2.701 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.662 1.002 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.607 0.756 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.754 -0.460 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.557 0.267 2.359 1.00 0.00 H new ATOM 1376 N SER A 88 -12.851 4.259 1.285 1.00 0.00 N ATOM 1377 CA SER A 88 -12.163 5.418 0.730 1.00 0.00 C ATOM 1378 C SER A 88 -10.763 5.039 0.260 1.00 0.00 C ATOM 1379 O SER A 88 -10.305 3.920 0.487 1.00 0.00 O ATOM 1380 CB SER A 88 -12.082 6.537 1.768 1.00 0.00 C ATOM 1381 OG SER A 88 -11.373 6.115 2.921 1.00 0.00 O ATOM 0 H SER A 88 -12.867 4.226 2.304 1.00 0.00 H new ATOM 0 HA SER A 88 -12.733 5.774 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.589 7.406 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.088 6.849 2.050 1.00 0.00 H new ATOM 0 HG SER A 88 -11.334 6.850 3.568 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.086 5.979 -0.391 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.740 5.739 -0.895 1.00 0.00 C ATOM 1389 C ALA A 89 -7.702 5.859 0.215 1.00 0.00 C ATOM 1390 O ALA A 89 -6.519 5.597 -0.001 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.417 6.710 -2.016 1.00 0.00 C ATOM 0 H ALA A 89 -10.448 6.913 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.705 4.721 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.409 6.519 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.130 6.577 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.480 7.732 -1.642 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.150 6.256 1.400 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.257 6.413 2.541 1.00 0.00 C ATOM 1399 C ASP A 90 -7.223 5.139 3.372 1.00 0.00 C ATOM 1400 O ASP A 90 -6.255 4.872 4.083 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.716 7.585 3.408 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.647 8.036 4.386 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.582 7.470 5.497 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.878 8.957 4.040 1.00 0.00 O ATOM 0 H ASP A 90 -9.127 6.475 1.596 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.253 6.614 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.993 8.421 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.611 7.296 3.960 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.292 4.359 3.275 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.393 3.106 4.013 1.00 0.00 C ATOM 1411 C ALA A 91 -8.252 1.907 3.081 1.00 0.00 C ATOM 1412 O ALA A 91 -8.089 0.775 3.535 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.712 3.040 4.770 1.00 0.00 C ATOM 0 H ALA A 91 -9.102 4.572 2.692 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.575 3.071 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.772 2.098 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.770 3.871 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.540 3.103 4.064 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.314 2.160 1.775 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.184 1.099 0.784 1.00 0.00 C ATOM 1421 C ALA A 92 -6.765 1.055 0.236 1.00 0.00 C ATOM 1422 O ALA A 92 -6.233 -0.018 -0.050 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.186 1.295 -0.343 1.00 0.00 C ATOM 0 H ALA A 92 -8.453 3.090 1.381 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.396 0.146 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.074 0.493 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.198 1.278 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.006 2.255 -0.827 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.158 2.230 0.088 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.796 2.300 -0.405 1.00 0.00 C ATOM 1431 C GLY A 93 -3.850 1.530 0.489 1.00 0.00 C ATOM 1432 O GLY A 93 -2.762 1.136 0.071 1.00 0.00 O ATOM 0 H GLY A 93 -6.585 3.132 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.752 1.898 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.480 3.342 -0.462 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.278 1.320 1.730 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.483 0.583 2.702 1.00 0.00 C ATOM 1438 C ILE A 94 -3.394 -0.881 2.299 1.00 0.00 C ATOM 1439 O ILE A 94 -2.376 -1.538 2.507 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.093 0.669 4.118 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.710 2.050 4.363 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.035 0.361 5.168 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.739 3.197 4.194 1.00 0.00 C ATOM 0 H ILE A 94 -5.175 1.652 2.086 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.491 1.033 2.719 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.887 -0.074 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.545 2.190 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.119 2.080 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.479 0.425 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.646 -0.645 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.221 1.082 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.252 4.139 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.916 3.084 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.348 3.196 3.176 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.478 -1.378 1.712 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.555 -2.760 1.267 1.00 0.00 C ATOM 1457 C VAL A 95 -3.827 -2.951 -0.058 1.00 0.00 C ATOM 1458 O VAL A 95 -3.240 -4.004 -0.308 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.024 -3.196 1.106 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.114 -4.657 0.692 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.795 -2.951 2.394 1.00 0.00 C ATOM 0 H VAL A 95 -5.323 -0.835 1.533 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.074 -3.377 2.027 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.475 -2.595 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.161 -4.941 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.601 -4.798 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.645 -5.280 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.831 -3.264 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.342 -3.523 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.765 -1.889 2.639 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.863 -1.925 -0.902 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.210 -1.983 -2.205 1.00 0.00 C ATOM 1473 C ALA A 96 -1.695 -2.106 -2.067 1.00 0.00 C ATOM 1474 O ALA A 96 -1.066 -2.921 -2.742 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.568 -0.751 -3.024 1.00 0.00 C ATOM 0 H ALA A 96 -4.337 -1.043 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.569 -2.873 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.076 -0.804 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.648 -0.710 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.237 0.144 -2.498 1.00 0.00 H new ATOM 1481 N THR A 97 -1.115 -1.293 -1.190 1.00 0.00 N ATOM 1482 CA THR A 97 0.327 -1.311 -0.968 1.00 0.00 C ATOM 1483 C THR A 97 0.760 -2.566 -0.217 1.00 0.00 C ATOM 1484 O THR A 97 1.762 -3.191 -0.564 1.00 0.00 O ATOM 1485 CB THR A 97 0.792 -0.066 -0.189 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.184 -0.178 0.131 1.00 0.00 O ATOM 1487 CG2 THR A 97 -0.015 0.110 1.089 1.00 0.00 C ATOM 0 H THR A 97 -1.621 -0.614 -0.622 1.00 0.00 H new ATOM 0 HA THR A 97 0.795 -1.308 -1.952 1.00 0.00 H new ATOM 0 HB THR A 97 0.634 0.808 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.471 0.618 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.333 0.996 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.070 0.227 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.113 -0.767 1.724 1.00 0.00 H new ATOM 1495 N LEU A 98 0.005 -2.928 0.819 1.00 0.00 N ATOM 1496 CA LEU A 98 0.313 -4.113 1.616 1.00 0.00 C ATOM 1497 C LEU A 98 0.467 -5.351 0.736 1.00 0.00 C ATOM 1498 O LEU A 98 1.477 -6.052 0.810 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.778 -4.354 2.663 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.666 -3.502 3.929 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.893 -3.692 4.808 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.601 -3.850 4.697 1.00 0.00 C ATOM 0 H LEU A 98 -0.823 -2.418 1.125 1.00 0.00 H new ATOM 0 HA LEU A 98 1.262 -3.932 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.748 -4.167 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.759 -5.406 2.949 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.612 -2.454 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.797 -3.079 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.785 -3.393 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.977 -4.741 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.663 -3.234 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.577 -4.902 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.471 -3.663 4.067 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.538 -5.615 -0.093 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.511 -6.772 -0.983 1.00 0.00 C ATOM 1516 C PHE A 99 0.711 -6.736 -1.897 1.00 0.00 C ATOM 1517 O PHE A 99 1.267 -7.777 -2.246 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.788 -6.833 -1.822 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.891 -7.624 -1.179 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -2.952 -8.999 -1.335 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.867 -6.995 -0.422 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -3.964 -9.734 -0.748 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.882 -7.725 0.167 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.931 -9.096 0.004 1.00 0.00 C ATOM 0 H PHE A 99 -1.380 -5.045 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.450 -7.667 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.140 -5.818 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.555 -7.272 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.199 -9.503 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.834 -5.923 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.999 -10.806 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.637 -7.224 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.724 -9.668 0.464 1.00 0.00 H new ATOM 1534 N ALA A 100 1.122 -5.533 -2.281 1.00 0.00 N ATOM 1535 CA ALA A 100 2.277 -5.365 -3.155 1.00 0.00 C ATOM 1536 C ALA A 100 3.552 -5.861 -2.479 1.00 0.00 C ATOM 1537 O ALA A 100 4.359 -6.558 -3.092 1.00 0.00 O ATOM 1538 CB ALA A 100 2.421 -3.907 -3.560 1.00 0.00 C ATOM 0 H ALA A 100 0.673 -4.661 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 100 2.117 -5.964 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.287 -3.794 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.524 -3.586 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.556 -3.294 -2.669 1.00 0.00 H new ATOM 1544 N LEU A 101 3.725 -5.496 -1.212 1.00 0.00 N ATOM 1545 CA LEU A 101 4.900 -5.906 -0.450 1.00 0.00 C ATOM 1546 C LEU A 101 5.023 -7.426 -0.407 1.00 0.00 C ATOM 1547 O LEU A 101 6.118 -7.975 -0.538 1.00 0.00 O ATOM 1548 CB LEU A 101 4.828 -5.353 0.974 1.00 0.00 C ATOM 1549 CG LEU A 101 4.854 -3.827 1.084 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.617 -3.394 2.522 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.175 -3.278 0.569 1.00 0.00 C ATOM 0 H LEU A 101 3.066 -4.917 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 101 5.781 -5.502 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.915 -5.719 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.664 -5.757 1.546 1.00 0.00 H new ATOM 0 HG LEU A 101 4.052 -3.422 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.639 -2.306 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.645 -3.757 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.397 -3.809 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.176 -2.191 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.994 -3.689 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.303 -3.559 -0.476 1.00 0.00 H new ATOM 1563 N GLY A 102 3.893 -8.099 -0.220 1.00 0.00 N ATOM 1564 CA GLY A 102 3.891 -9.549 -0.157 1.00 0.00 C ATOM 1565 C GLY A 102 4.247 -10.197 -1.481 1.00 0.00 C ATOM 1566 O GLY A 102 4.787 -11.303 -1.509 1.00 0.00 O ATOM 0 H GLY A 102 2.976 -7.665 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.600 -9.876 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.905 -9.893 0.157 1.00 0.00 H new ATOM 1570 N GLN A 103 3.945 -9.512 -2.579 1.00 0.00 N ATOM 1571 CA GLN A 103 4.236 -10.038 -3.910 1.00 0.00 C ATOM 1572 C GLN A 103 5.713 -9.873 -4.256 1.00 0.00 C ATOM 1573 O GLN A 103 6.358 -10.814 -4.720 1.00 0.00 O ATOM 1574 CB GLN A 103 3.372 -9.337 -4.961 1.00 0.00 C ATOM 1575 CG GLN A 103 3.702 -9.745 -6.390 1.00 0.00 C ATOM 1576 CD GLN A 103 2.803 -9.083 -7.417 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.548 -8.853 -7.050 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 3.231 -8.790 -8.534 1.00 0.00 N flip ATOM 0 H GLN A 103 3.500 -8.594 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 103 4.001 -11.102 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.323 -9.556 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.497 -8.259 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.740 -9.489 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.615 -10.828 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.203 -8.984 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.614 -8.353 -9.218 1.00 0.00 H new ATOM 1587 N LEU A 104 6.243 -8.675 -4.030 1.00 0.00 N ATOM 1588 CA LEU A 104 7.637 -8.388 -4.317 1.00 0.00 C ATOM 1589 C LEU A 104 8.554 -9.317 -3.529 1.00 0.00 C ATOM 1590 O LEU A 104 9.518 -9.861 -4.069 1.00 0.00 O ATOM 1591 CB LEU A 104 7.944 -6.932 -3.976 1.00 0.00 C ATOM 1592 CG LEU A 104 9.332 -6.456 -4.388 1.00 0.00 C ATOM 1593 CD1 LEU A 104 9.493 -6.541 -5.897 1.00 0.00 C ATOM 1594 CD2 LEU A 104 9.574 -5.038 -3.898 1.00 0.00 C ATOM 0 H LEU A 104 5.722 -7.886 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 104 7.816 -8.554 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.200 -6.297 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.833 -6.795 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 104 10.075 -7.107 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.489 -6.198 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.361 -7.574 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.744 -5.912 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.570 -4.713 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.828 -4.371 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.498 -5.011 -2.811 1.00 0.00 H new ATOM 1606 N ALA A 105 8.246 -9.495 -2.248 1.00 0.00 N ATOM 1607 CA ALA A 105 9.036 -10.362 -1.383 1.00 0.00 C ATOM 1608 C ALA A 105 9.042 -11.793 -1.909 1.00 0.00 C ATOM 1609 O ALA A 105 10.039 -12.506 -1.792 1.00 0.00 O ATOM 1610 CB ALA A 105 8.497 -10.323 0.038 1.00 0.00 C ATOM 0 H ALA A 105 7.453 -9.049 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 105 10.063 -9.996 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.097 -10.975 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.546 -9.302 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.462 -10.663 0.044 1.00 0.00 H new ATOM 1616 N ALA A 106 7.919 -12.206 -2.490 1.00 0.00 N ATOM 1617 CA ALA A 106 7.786 -13.550 -3.036 1.00 0.00 C ATOM 1618 C ALA A 106 8.526 -13.685 -4.364 1.00 0.00 C ATOM 1619 O ALA A 106 8.981 -14.770 -4.722 1.00 0.00 O ATOM 1620 CB ALA A 106 6.316 -13.904 -3.212 1.00 0.00 C ATOM 0 H ALA A 106 7.087 -11.626 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 106 8.237 -14.246 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.231 -14.911 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.813 -13.861 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.850 -13.194 -3.896 1.00 0.00 H new ATOM 1626 N GLU A 107 8.643 -12.575 -5.088 1.00 0.00 N ATOM 1627 CA GLU A 107 9.329 -12.573 -6.375 1.00 0.00 C ATOM 1628 C GLU A 107 10.817 -12.857 -6.194 1.00 0.00 C ATOM 1629 O GLU A 107 11.505 -13.256 -7.134 1.00 0.00 O ATOM 1630 CB GLU A 107 9.133 -11.227 -7.077 1.00 0.00 C ATOM 1631 CG GLU A 107 9.766 -11.158 -8.459 1.00 0.00 C ATOM 1632 CD GLU A 107 9.219 -12.208 -9.405 1.00 0.00 C ATOM 1633 OE1 GLU A 107 8.197 -11.935 -10.069 1.00 0.00 O ATOM 1634 OE2 GLU A 107 9.811 -13.306 -9.482 1.00 0.00 O ATOM 0 H GLU A 107 8.272 -11.668 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 107 8.900 -13.361 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.065 -11.026 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.555 -10.438 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.596 -10.168 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.845 -11.284 -8.367 1.00 0.00 H new ATOM 1750 N LEU A 117 12.676 -6.465 2.712 1.00 0.00 N ATOM 1751 CA LEU A 117 11.562 -5.609 2.327 1.00 0.00 C ATOM 1752 C LEU A 117 10.327 -5.954 3.150 1.00 0.00 C ATOM 1753 O LEU A 117 9.365 -5.186 3.203 1.00 0.00 O ATOM 1754 CB LEU A 117 11.272 -5.731 0.818 1.00 0.00 C ATOM 1755 CG LEU A 117 10.526 -6.992 0.350 1.00 0.00 C ATOM 1756 CD1 LEU A 117 11.099 -8.246 0.996 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.033 -6.875 0.626 1.00 0.00 C ATOM 0 HA LEU A 117 11.833 -4.573 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.691 -4.861 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.222 -5.682 0.285 1.00 0.00 H new ATOM 0 HG LEU A 117 10.667 -7.079 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.550 -9.120 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.151 -8.346 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.007 -8.171 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.528 -7.779 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.870 -6.749 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.631 -6.013 0.094 1.00 0.00 H new ATOM 1769 N ILE A 118 10.365 -7.118 3.792 1.00 0.00 N ATOM 1770 CA ILE A 118 9.259 -7.573 4.621 1.00 0.00 C ATOM 1771 C ILE A 118 9.103 -6.672 5.839 1.00 0.00 C ATOM 1772 O ILE A 118 7.997 -6.476 6.344 1.00 0.00 O ATOM 1773 CB ILE A 118 9.465 -9.035 5.076 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.099 -10.000 3.944 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.645 -9.338 6.325 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.653 -9.905 3.504 1.00 0.00 C ATOM 0 H ILE A 118 11.154 -7.764 3.752 1.00 0.00 H new ATOM 0 HA ILE A 118 8.351 -7.525 4.019 1.00 0.00 H new ATOM 0 HB ILE A 118 10.518 -9.171 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.743 -9.802 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.304 -11.020 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.808 -10.373 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.953 -8.674 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.587 -9.184 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.470 -10.618 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.000 -10.133 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.447 -8.896 3.148 1.00 0.00 H new ATOM 1788 N ASP A 119 10.222 -6.123 6.298 1.00 0.00 N ATOM 1789 CA ASP A 119 10.223 -5.236 7.453 1.00 0.00 C ATOM 1790 C ASP A 119 9.209 -4.114 7.264 1.00 0.00 C ATOM 1791 O ASP A 119 8.537 -3.704 8.211 1.00 0.00 O ATOM 1792 CB ASP A 119 11.619 -4.646 7.658 1.00 0.00 C ATOM 1793 CG ASP A 119 12.053 -4.674 9.110 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.469 -5.752 9.585 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.979 -3.619 9.773 1.00 0.00 O ATOM 0 H ASP A 119 11.142 -6.278 5.886 1.00 0.00 H new ATOM 0 HA ASP A 119 9.945 -5.813 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.337 -5.203 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.632 -3.617 7.298 1.00 0.00 H new ATOM 1800 N ARG A 120 9.101 -3.626 6.032 1.00 0.00 N ATOM 1801 CA ARG A 120 8.170 -2.550 5.712 1.00 0.00 C ATOM 1802 C ARG A 120 6.727 -2.998 5.919 1.00 0.00 C ATOM 1803 O ARG A 120 5.884 -2.221 6.366 1.00 0.00 O ATOM 1804 CB ARG A 120 8.365 -2.085 4.264 1.00 0.00 C ATOM 1805 CG ARG A 120 9.676 -1.348 4.022 1.00 0.00 C ATOM 1806 CD ARG A 120 10.874 -2.278 4.125 1.00 0.00 C ATOM 1807 NE ARG A 120 12.131 -1.587 3.850 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.268 -1.841 4.492 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.303 -2.758 5.450 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.370 -1.175 4.177 1.00 0.00 N ATOM 0 H ARG A 120 9.648 -3.959 5.238 1.00 0.00 H new ATOM 0 HA ARG A 120 8.376 -1.718 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.321 -2.952 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.537 -1.432 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.657 -0.888 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.779 -0.541 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.911 -2.712 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.753 -3.103 3.423 1.00 0.00 H new ATOM 0 HE ARG A 120 12.137 -0.869 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.456 -3.271 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.177 -2.950 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.346 -0.468 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.242 -1.370 4.669 1.00 0.00 H new ATOM 1824 N TYR A 121 6.449 -4.255 5.589 1.00 0.00 N ATOM 1825 CA TYR A 121 5.107 -4.808 5.740 1.00 0.00 C ATOM 1826 C TYR A 121 4.767 -5.014 7.212 1.00 0.00 C ATOM 1827 O TYR A 121 3.637 -4.775 7.638 1.00 0.00 O ATOM 1828 CB TYR A 121 4.999 -6.137 4.987 1.00 0.00 C ATOM 1829 CG TYR A 121 3.604 -6.722 4.977 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.133 -7.468 6.051 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.759 -6.533 3.891 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.861 -8.007 6.043 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.484 -7.069 3.876 1.00 0.00 C ATOM 1834 CZ TYR A 121 1.042 -7.805 4.954 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.226 -8.339 4.942 1.00 0.00 O ATOM 0 H TYR A 121 7.135 -4.911 5.215 1.00 0.00 H new ATOM 0 HA TYR A 121 4.395 -4.098 5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.328 -5.989 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.681 -6.857 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.772 -7.629 6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.103 -5.958 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.511 -8.584 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.839 -6.912 3.024 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.672 -8.103 4.102 1.00 0.00 H new ATOM 1845 N HIS A 122 5.753 -5.462 7.982 1.00 0.00 N ATOM 1846 CA HIS A 122 5.562 -5.707 9.408 1.00 0.00 C ATOM 1847 C HIS A 122 5.208 -4.417 10.140 1.00 0.00 C ATOM 1848 O HIS A 122 4.593 -4.446 11.207 1.00 0.00 O ATOM 1849 CB HIS A 122 6.826 -6.321 10.012 1.00 0.00 C ATOM 1850 CG HIS A 122 6.562 -7.516 10.872 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.520 -7.461 12.249 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.327 -8.809 10.541 1.00 0.00 C ATOM 1853 CE1 HIS A 122 6.273 -8.667 12.729 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.151 -9.501 11.713 1.00 0.00 N ATOM 0 H HIS A 122 6.694 -5.663 7.643 1.00 0.00 H new ATOM 0 HA HIS A 122 4.734 -6.406 9.525 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.501 -6.607 9.206 1.00 0.00 H new ATOM 0 HB3 HIS A 122 7.339 -5.564 10.605 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.286 -9.218 9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 122 6.186 -8.926 13.774 1.00 0.00 H new ATOM 0 HE2 HIS A 122 5.957 -10.500 11.787 1.00 0.00 H new ATOM 1863 N PHE A 123 5.599 -3.288 9.561 1.00 0.00 N ATOM 1864 CA PHE A 123 5.318 -1.989 10.158 1.00 0.00 C ATOM 1865 C PHE A 123 4.011 -1.415 9.620 1.00 0.00 C ATOM 1866 O PHE A 123 3.147 -0.992 10.389 1.00 0.00 O ATOM 1867 CB PHE A 123 6.465 -1.015 9.887 1.00 0.00 C ATOM 1868 CG PHE A 123 7.691 -1.276 10.716 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.599 -1.421 12.091 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.937 -1.371 10.118 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.727 -1.658 12.854 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.069 -1.606 10.876 1.00 0.00 C ATOM 1873 CZ PHE A 123 9.963 -1.751 12.246 1.00 0.00 C ATOM 0 H PHE A 123 6.111 -3.246 8.680 1.00 0.00 H new ATOM 0 HA PHE A 123 5.219 -2.128 11.235 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.733 -1.069 8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.119 0.001 10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.635 -1.348 12.572 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.025 -1.260 9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.642 -1.770 13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.035 -1.676 10.398 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.846 -1.937 12.840 1.00 0.00 H new ATOM 1883 N LEU A 124 3.878 -1.400 8.298 1.00 0.00 N ATOM 1884 CA LEU A 124 2.677 -0.886 7.650 1.00 0.00 C ATOM 1885 C LEU A 124 1.432 -1.519 8.260 1.00 0.00 C ATOM 1886 O LEU A 124 0.526 -0.820 8.713 1.00 0.00 O ATOM 1887 CB LEU A 124 2.729 -1.175 6.148 1.00 0.00 C ATOM 1888 CG LEU A 124 1.927 -0.219 5.259 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.189 -0.521 3.791 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.439 -0.310 5.565 1.00 0.00 C ATOM 0 H LEU A 124 4.591 -1.740 7.652 1.00 0.00 H new ATOM 0 HA LEU A 124 2.631 0.192 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.771 -1.151 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.367 -2.189 5.979 1.00 0.00 H new ATOM 0 HG LEU A 124 2.253 0.799 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.613 0.165 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.251 -0.399 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.891 -1.546 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.108 0.378 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.092 -1.328 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.265 -0.046 6.608 1.00 0.00 H new ATOM 1902 N ARG A 125 1.394 -2.849 8.251 1.00 0.00 N ATOM 1903 CA ARG A 125 0.272 -3.587 8.817 1.00 0.00 C ATOM 1904 C ARG A 125 -0.092 -3.045 10.195 1.00 0.00 C ATOM 1905 O ARG A 125 -1.270 -2.906 10.526 1.00 0.00 O ATOM 1906 CB ARG A 125 0.610 -5.076 8.916 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.526 -5.921 9.468 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.117 -7.376 9.625 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.204 -8.197 10.149 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.031 -9.408 10.668 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.183 -9.936 10.736 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.073 -10.092 11.121 1.00 0.00 N ATOM 0 H ARG A 125 2.129 -3.437 7.857 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.585 -3.460 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.879 -5.446 7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.486 -5.200 9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.839 -5.524 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.386 -5.854 8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.201 -7.769 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.741 -7.441 10.294 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.151 -7.819 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.987 -9.413 10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.313 -10.866 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.009 -9.689 11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.939 -11.021 11.519 1.00 0.00 H new ATOM 1926 N GLY A 126 0.926 -2.741 10.996 1.00 0.00 N ATOM 1927 CA GLY A 126 0.691 -2.213 12.328 1.00 0.00 C ATOM 1928 C GLY A 126 0.057 -0.836 12.308 1.00 0.00 C ATOM 1929 O GLY A 126 -0.704 -0.485 13.210 1.00 0.00 O ATOM 0 H GLY A 126 1.909 -2.851 10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.045 -2.898 12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.637 -2.165 12.868 1.00 0.00 H new ATOM 1933 N PHE A 127 0.369 -0.051 11.280 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.177 1.296 11.148 1.00 0.00 C ATOM 1935 C PHE A 127 -1.654 1.249 10.764 1.00 0.00 C ATOM 1936 O PHE A 127 -2.436 2.114 11.159 1.00 0.00 O ATOM 1937 CB PHE A 127 0.617 2.076 10.096 1.00 0.00 C ATOM 1938 CG PHE A 127 0.026 3.415 9.750 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.246 4.516 10.562 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.745 3.571 8.611 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.294 5.748 10.244 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.287 4.800 8.287 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.062 5.890 9.105 1.00 0.00 C ATOM 0 H PHE A 127 0.998 -0.325 10.525 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.092 1.800 12.110 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.634 2.223 10.459 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.686 1.476 9.189 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.846 4.410 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.925 2.722 7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.116 6.598 10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.886 4.908 7.395 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.486 6.851 8.854 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.025 0.236 9.992 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.403 0.073 9.548 1.00 0.00 C ATOM 1955 C ALA A 128 -4.347 -0.142 10.726 1.00 0.00 C ATOM 1956 O ALA A 128 -5.543 0.134 10.631 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.505 -1.089 8.573 1.00 0.00 C ATOM 0 H ALA A 128 -1.388 -0.488 9.659 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.703 0.991 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.539 -1.201 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.872 -0.894 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.177 -2.005 9.064 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.806 -0.634 11.837 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.608 -0.890 13.028 1.00 0.00 C ATOM 1965 C ALA A 129 -5.029 0.413 13.701 1.00 0.00 C ATOM 1966 O ALA A 129 -6.033 0.459 14.411 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.838 -1.765 14.004 1.00 0.00 C ATOM 0 H ALA A 129 -2.817 -0.863 11.937 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.512 -1.416 12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.448 -1.948 14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.595 -2.715 13.528 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.917 -1.260 14.297 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.254 1.470 13.475 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.563 2.757 14.068 1.00 0.00 C ATOM 1975 C GLY A 130 -5.578 3.542 13.260 1.00 0.00 C ATOM 1976 O GLY A 130 -6.074 4.576 13.708 1.00 0.00 O ATOM 0 H GLY A 130 -3.418 1.457 12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.946 2.605 15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.647 3.340 14.159 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.888 3.049 12.065 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.849 3.708 11.188 1.00 0.00 C ATOM 1982 C HIS A 131 -8.280 3.499 11.683 1.00 0.00 C ATOM 1983 O HIS A 131 -8.596 2.464 12.268 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.709 3.182 9.758 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.830 4.027 8.892 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.147 5.319 8.531 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.637 3.759 8.310 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.188 5.809 7.765 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.261 4.882 7.616 1.00 0.00 N ATOM 0 H HIS A 131 -5.486 2.193 11.681 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.636 4.777 11.199 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.307 2.169 9.790 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.698 3.118 9.305 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -6.991 5.819 8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.084 2.834 8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.167 6.799 7.334 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.165 4.489 11.455 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.571 4.408 11.872 1.00 0.00 C ATOM 2000 C PRO A 132 -11.309 3.268 11.177 1.00 0.00 C ATOM 2001 O PRO A 132 -12.401 2.877 11.589 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.159 5.761 11.452 1.00 0.00 C ATOM 2003 CG PRO A 132 -9.982 6.653 11.245 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.869 5.762 10.780 1.00 0.00 C ATOM 0 HA PRO A 132 -10.666 4.208 12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -11.748 5.668 10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.823 6.157 12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.201 7.423 10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -9.713 7.165 12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.865 5.653 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -7.892 6.153 11.065 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.698 2.742 10.121 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.282 1.641 9.363 1.00 0.00 C ATOM 2014 C GLU A 133 -10.404 0.405 9.463 1.00 0.00 C ATOM 2015 O GLU A 133 -10.488 -0.501 8.634 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.469 2.032 7.898 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.647 2.959 7.669 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.362 4.387 8.088 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.587 5.068 7.385 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -12.916 4.824 9.119 1.00 0.00 O ATOM 0 H GLU A 133 -9.795 3.062 9.769 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.259 1.416 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.560 2.516 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.605 1.129 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.916 2.942 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.509 2.588 8.224 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.559 0.385 10.487 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.650 -0.729 10.725 1.00 0.00 C ATOM 2029 C ALA A 134 -9.347 -2.064 10.508 1.00 0.00 C ATOM 2030 O ALA A 134 -8.813 -2.951 9.843 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.082 -0.653 12.134 1.00 0.00 C ATOM 0 H ALA A 134 -9.485 1.137 11.172 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.832 -0.656 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.405 -1.491 12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.538 0.283 12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.896 -0.697 12.857 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.539 -2.205 11.078 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.311 -3.432 10.941 1.00 0.00 C ATOM 2039 C ALA A 135 -11.460 -3.840 9.478 1.00 0.00 C ATOM 2040 O ALA A 135 -11.243 -4.997 9.123 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.679 -3.266 11.586 1.00 0.00 C ATOM 0 H ALA A 135 -10.991 -1.483 11.640 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.769 -4.227 11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.247 -4.190 11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.557 -3.038 12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.215 -2.451 11.099 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.835 -2.887 8.634 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.015 -3.156 7.213 1.00 0.00 C ATOM 2049 C ALA A 136 -10.685 -3.441 6.521 1.00 0.00 C ATOM 2050 O ALA A 136 -10.607 -4.288 5.632 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.718 -1.985 6.542 1.00 0.00 C ATOM 0 H ALA A 136 -12.020 -1.922 8.908 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.635 -4.048 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.847 -2.198 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.694 -1.834 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.117 -1.083 6.661 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.644 -2.728 6.934 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.318 -2.885 6.346 1.00 0.00 C ATOM 2059 C ILE A 137 -7.699 -4.260 6.616 1.00 0.00 C ATOM 2060 O ILE A 137 -7.271 -4.941 5.685 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.357 -1.798 6.862 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.857 -0.412 6.451 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.951 -2.041 6.332 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.126 0.723 7.132 1.00 0.00 C ATOM 0 H ILE A 137 -9.693 -2.032 7.678 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.458 -2.786 5.270 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.326 -1.844 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.754 -0.303 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.920 -0.336 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.282 -1.265 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.599 -3.016 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.964 -2.016 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.534 1.675 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.250 0.640 8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.066 0.674 6.884 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.651 -4.669 7.883 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.045 -5.950 8.241 1.00 0.00 C ATOM 2078 C TYR A 138 -7.810 -7.121 7.630 1.00 0.00 C ATOM 2079 O TYR A 138 -7.209 -8.115 7.222 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.944 -6.100 9.766 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.115 -6.811 10.411 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.223 -6.102 10.849 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.104 -8.189 10.587 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.292 -6.746 11.445 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.169 -8.841 11.179 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.261 -8.115 11.607 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.323 -8.759 12.198 1.00 0.00 O ATOM 0 H TYR A 138 -8.021 -4.138 8.672 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.036 -5.964 7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.030 -6.644 10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.849 -5.109 10.209 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.252 -5.030 10.723 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.249 -8.760 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.147 -6.179 11.782 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.146 -9.913 11.306 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.143 -9.722 12.235 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.132 -7.006 7.571 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.951 -8.065 6.995 1.00 0.00 C ATOM 2099 C ARG A 139 -9.810 -8.064 5.480 1.00 0.00 C ATOM 2100 O ARG A 139 -9.941 -9.102 4.831 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.419 -7.899 7.397 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.071 -6.645 6.843 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.500 -6.496 7.341 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.574 -6.494 8.800 1.00 0.00 N ATOM 2105 CZ ARG A 139 -14.716 -6.513 9.481 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.876 -6.532 8.837 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -14.699 -6.512 10.806 1.00 0.00 N ATOM 0 H ARG A 139 -9.655 -6.199 7.911 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.603 -9.022 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.980 -8.769 7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.488 -7.882 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.489 -5.771 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.066 -6.681 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.923 -5.569 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.108 -7.311 6.948 1.00 0.00 H new ATOM 0 HE ARG A 139 -12.700 -6.477 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.893 -6.532 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.751 -6.547 9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.809 -6.497 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -15.576 -6.527 11.327 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.538 -6.886 4.926 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.362 -6.738 3.488 1.00 0.00 C ATOM 2123 C ALA A 140 -8.111 -7.470 3.022 1.00 0.00 C ATOM 2124 O ALA A 140 -8.083 -8.044 1.933 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.289 -5.266 3.111 1.00 0.00 C ATOM 0 H ALA A 140 -9.435 -6.019 5.454 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.224 -7.181 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.157 -5.173 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.212 -4.768 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.445 -4.801 3.621 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.075 -7.445 3.857 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.818 -8.109 3.537 1.00 0.00 C ATOM 2133 C ILE A 141 -5.794 -9.531 4.086 1.00 0.00 C ATOM 2134 O ILE A 141 -4.938 -10.336 3.719 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.612 -7.336 4.103 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.713 -7.237 5.628 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.528 -5.952 3.480 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.480 -6.654 6.283 1.00 0.00 C ATOM 0 H ILE A 141 -7.083 -6.971 4.760 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.745 -8.137 2.450 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.701 -7.879 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.576 -6.623 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.895 -8.231 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.670 -5.419 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.414 -6.045 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.440 -5.397 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.625 -6.615 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.617 -7.279 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.308 -5.647 5.904 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.741 -9.831 4.970 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.827 -11.155 5.577 1.00 0.00 C ATOM 2152 C ASP A 142 -7.186 -12.211 4.536 1.00 0.00 C ATOM 2153 O ASP A 142 -8.394 -12.446 4.323 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.865 -11.157 6.701 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.948 -12.495 7.409 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.741 -13.353 6.968 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.219 -12.685 8.406 1.00 0.00 O ATOM 2158 OXT ASP A 142 -6.255 -12.793 3.941 1.00 0.00 O ATOM 0 H ASP A 142 -7.458 -9.176 5.281 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.850 -11.400 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.615 -10.381 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.843 -10.906 6.290 1.00 0.00 H new