USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 893 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 60 TYR OH : rot 47:sc= -0.543 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 167:sc= 1.02 (180deg=-0.458) USER MOD Set 2.1: A 44 ASN : amide:sc= -4.52! C(o=-8.5!,f=-4.4!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ 153:sc= -3.96! (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.919! C(o=-0.92!,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.69! K(o=-3.7!,f=-3) USER MOD Single : A 15 GLN : amide:sc= -3.92! K(o=-3.9!,f=-1.9) USER MOD Single : A 17 TYR OH : rot -32:sc= 1.2 USER MOD Single : A 20 ASN : amide:sc= -4.65! C(o=-4.6!,f=-5.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 118:sc= 0.676 USER MOD Single : A 36 MET CE :methyl -170:sc= -1.68 (180deg=-2.08) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc=-0.00559 (180deg=-0.167) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 52 SER OG : rot 31:sc= 0.00562 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.426 K(o=-0.43,f=-3.9!) USER MOD Single : A 74 ASN : amide:sc= -1.21! C(o=-1.2!,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -0.135 (180deg=-0.685) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.0179 (180deg=-0.318) USER MOD Single : A 79 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 102 TYR OH : rot -1:sc= -1.89! USER MOD Single : A 103 MET CE :methyl -126:sc= 0 (180deg=-0.228) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 111 CYS SG : rot 105:sc= -0.345 USER MOD Single : A 113 LYS NZ :NH3+ -131:sc= -0.356 (180deg=-0.907!) USER MOD Single : A 115 ASN : amide:sc= -0.909 X(o=-0.91,f=-0.95!) USER MOD Single : A 117 SER OG : rot -75:sc= 0.844 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.375 -13.129 14.784 1.00 0.00 N ATOM 79 CA GLU A 8 110.904 -13.754 13.517 1.00 0.00 C ATOM 80 C GLU A 8 111.696 -13.140 12.365 1.00 0.00 C ATOM 81 O GLU A 8 112.086 -13.807 11.427 1.00 0.00 O ATOM 82 CB GLU A 8 109.408 -13.477 13.331 1.00 0.00 C ATOM 83 CG GLU A 8 108.919 -14.128 12.033 1.00 0.00 C ATOM 84 CD GLU A 8 107.414 -13.898 11.880 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.833 -13.297 12.768 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.869 -14.327 10.877 1.00 0.00 O ATOM 0 HA GLU A 8 111.056 -14.833 13.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.848 -13.870 14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.229 -12.402 13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.450 -13.706 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.135 -15.196 12.046 1.00 0.00 H new ATOM 93 N GLN A 9 111.948 -11.868 12.436 1.00 0.00 N ATOM 94 CA GLN A 9 112.727 -11.206 11.360 1.00 0.00 C ATOM 95 C GLN A 9 114.171 -11.715 11.421 1.00 0.00 C ATOM 96 O GLN A 9 114.938 -11.574 10.488 1.00 0.00 O ATOM 97 CB GLN A 9 112.697 -9.694 11.580 1.00 0.00 C ATOM 98 CG GLN A 9 111.275 -9.185 11.347 1.00 0.00 C ATOM 99 CD GLN A 9 111.198 -7.696 11.683 1.00 0.00 C ATOM 100 OE1 GLN A 9 112.032 -7.179 12.399 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.224 -6.981 11.192 1.00 0.00 N ATOM 0 H GLN A 9 111.648 -11.256 13.195 1.00 0.00 H new ATOM 0 HA GLN A 9 112.299 -11.433 10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 9 113.021 -9.454 12.593 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.390 -9.201 10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.986 -9.349 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.573 -9.744 11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.524 -7.417 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 9 110.162 -5.986 11.409 1.00 0.00 H new ATOM 110 N PHE A 10 114.549 -12.300 12.526 1.00 0.00 N ATOM 111 CA PHE A 10 115.944 -12.810 12.664 1.00 0.00 C ATOM 112 C PHE A 10 116.172 -13.970 11.686 1.00 0.00 C ATOM 113 O PHE A 10 117.071 -13.934 10.870 1.00 0.00 O ATOM 114 CB PHE A 10 116.152 -13.308 14.107 1.00 0.00 C ATOM 115 CG PHE A 10 117.603 -13.155 14.526 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.617 -13.818 13.821 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.931 -12.341 15.622 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.954 -13.670 14.211 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.268 -12.194 16.010 1.00 0.00 C ATOM 120 CZ PHE A 10 120.279 -12.858 15.304 1.00 0.00 C ATOM 0 H PHE A 10 113.952 -12.447 13.340 1.00 0.00 H new ATOM 0 HA PHE A 10 116.650 -12.011 12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.511 -12.746 14.786 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.856 -14.354 14.182 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.367 -14.443 12.977 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.152 -11.828 16.166 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.735 -14.183 13.668 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.520 -11.569 16.854 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.310 -12.743 15.603 1.00 0.00 H new ATOM 130 N LYS A 11 115.379 -15.005 11.758 1.00 0.00 N ATOM 131 CA LYS A 11 115.602 -16.146 10.821 1.00 0.00 C ATOM 132 C LYS A 11 115.463 -15.641 9.387 1.00 0.00 C ATOM 133 O LYS A 11 116.078 -16.158 8.475 1.00 0.00 O ATOM 134 CB LYS A 11 114.598 -17.279 11.078 1.00 0.00 C ATOM 135 CG LYS A 11 113.192 -16.859 10.649 1.00 0.00 C ATOM 136 CD LYS A 11 112.179 -17.897 11.140 1.00 0.00 C ATOM 137 CE LYS A 11 110.812 -17.622 10.509 1.00 0.00 C ATOM 138 NZ LYS A 11 109.844 -18.674 10.936 1.00 0.00 N ATOM 0 H LYS A 11 114.602 -15.111 12.410 1.00 0.00 H new ATOM 0 HA LYS A 11 116.603 -16.546 10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.900 -18.171 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.599 -17.540 12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.952 -15.878 11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.142 -16.771 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.516 -18.900 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.103 -17.859 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.452 -16.638 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 11 110.897 -17.611 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 108.916 -18.486 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.186 -19.606 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 109.755 -18.664 11.972 1.00 0.00 H new ATOM 152 N GLN A 12 114.666 -14.629 9.178 1.00 0.00 N ATOM 153 CA GLN A 12 114.504 -14.095 7.798 1.00 0.00 C ATOM 154 C GLN A 12 115.866 -13.621 7.275 1.00 0.00 C ATOM 155 O GLN A 12 116.139 -13.670 6.093 1.00 0.00 O ATOM 156 CB GLN A 12 113.516 -12.926 7.796 1.00 0.00 C ATOM 157 CG GLN A 12 112.104 -13.446 8.069 1.00 0.00 C ATOM 158 CD GLN A 12 111.120 -12.276 8.050 1.00 0.00 C ATOM 159 OE1 GLN A 12 110.453 -12.007 9.031 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.003 -11.562 6.965 1.00 0.00 N ATOM 0 H GLN A 12 114.124 -14.152 9.898 1.00 0.00 H new ATOM 0 HA GLN A 12 114.116 -14.883 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.799 -12.197 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.546 -12.413 6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.824 -14.183 7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.070 -13.949 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 12 111.563 -11.788 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.352 -10.777 6.939 1.00 0.00 H new ATOM 169 N VAL A 13 116.726 -13.149 8.137 1.00 0.00 N ATOM 170 CA VAL A 13 118.061 -12.686 7.654 1.00 0.00 C ATOM 171 C VAL A 13 118.915 -13.911 7.283 1.00 0.00 C ATOM 172 O VAL A 13 119.648 -13.891 6.319 1.00 0.00 O ATOM 173 CB VAL A 13 118.744 -11.812 8.740 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.655 -12.651 9.649 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.585 -10.714 8.072 1.00 0.00 C ATOM 0 H VAL A 13 116.567 -13.064 9.141 1.00 0.00 H new ATOM 0 HA VAL A 13 117.946 -12.068 6.764 1.00 0.00 H new ATOM 0 HB VAL A 13 117.957 -11.369 9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.116 -12.006 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 13 119.064 -13.419 10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.432 -13.124 9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 13 120.062 -10.104 8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 120.350 -11.172 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.941 -10.086 7.457 1.00 0.00 H new ATOM 185 N ARG A 14 118.828 -14.979 8.028 1.00 0.00 N ATOM 186 CA ARG A 14 119.645 -16.178 7.678 1.00 0.00 C ATOM 187 C ARG A 14 119.304 -16.609 6.249 1.00 0.00 C ATOM 188 O ARG A 14 120.180 -16.812 5.431 1.00 0.00 O ATOM 189 CB ARG A 14 119.330 -17.321 8.661 1.00 0.00 C ATOM 190 CG ARG A 14 120.224 -18.549 8.393 1.00 0.00 C ATOM 191 CD ARG A 14 121.595 -18.380 9.064 1.00 0.00 C ATOM 192 NE ARG A 14 122.480 -19.519 8.675 1.00 0.00 N ATOM 193 CZ ARG A 14 122.478 -20.627 9.372 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.416 -21.386 9.388 1.00 0.00 N ATOM 195 NH2 ARG A 14 123.540 -20.977 10.045 1.00 0.00 N ATOM 0 H ARG A 14 118.236 -15.075 8.853 1.00 0.00 H new ATOM 0 HA ARG A 14 120.706 -15.938 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.479 -16.976 9.684 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.281 -17.604 8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.737 -19.448 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 14 120.353 -18.683 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 14 122.046 -17.435 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.481 -18.347 10.147 1.00 0.00 H new ATOM 0 HE ARG A 14 123.089 -19.433 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.588 -21.116 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 14 121.414 -22.249 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 14 124.372 -20.387 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.538 -21.840 10.588 1.00 0.00 H new ATOM 209 N GLN A 15 118.046 -16.748 5.938 1.00 0.00 N ATOM 210 CA GLN A 15 117.670 -17.160 4.557 1.00 0.00 C ATOM 211 C GLN A 15 118.192 -16.127 3.550 1.00 0.00 C ATOM 212 O GLN A 15 118.476 -16.453 2.415 1.00 0.00 O ATOM 213 CB GLN A 15 116.148 -17.306 4.442 1.00 0.00 C ATOM 214 CG GLN A 15 115.468 -16.060 4.979 1.00 0.00 C ATOM 215 CD GLN A 15 113.952 -16.261 4.953 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.464 -17.335 5.245 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.179 -15.264 4.615 1.00 0.00 N ATOM 0 H GLN A 15 117.265 -16.595 6.576 1.00 0.00 H new ATOM 0 HA GLN A 15 118.122 -18.127 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.867 -17.464 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.815 -18.182 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.802 -15.859 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.742 -15.194 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.588 -14.362 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.167 -15.387 4.596 1.00 0.00 H new ATOM 226 N LEU A 16 118.338 -14.884 3.949 1.00 0.00 N ATOM 227 CA LEU A 16 118.863 -13.864 2.991 1.00 0.00 C ATOM 228 C LEU A 16 120.340 -14.172 2.700 1.00 0.00 C ATOM 229 O LEU A 16 120.792 -14.076 1.577 1.00 0.00 O ATOM 230 CB LEU A 16 118.715 -12.448 3.588 1.00 0.00 C ATOM 231 CG LEU A 16 117.291 -11.896 3.330 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.908 -10.865 4.414 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.244 -11.218 1.950 1.00 0.00 C ATOM 0 H LEU A 16 118.119 -14.538 4.883 1.00 0.00 H new ATOM 0 HA LEU A 16 118.294 -13.902 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 118.912 -12.477 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.455 -11.781 3.146 1.00 0.00 H new ATOM 0 HG LEU A 16 116.584 -12.725 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.905 -10.487 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.931 -11.342 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 16 117.617 -10.038 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.242 -10.830 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.961 -10.398 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.496 -11.946 1.178 1.00 0.00 H new ATOM 245 N TYR A 17 121.090 -14.561 3.698 1.00 0.00 N ATOM 246 CA TYR A 17 122.528 -14.898 3.465 1.00 0.00 C ATOM 247 C TYR A 17 122.610 -16.189 2.642 1.00 0.00 C ATOM 248 O TYR A 17 123.524 -16.388 1.866 1.00 0.00 O ATOM 249 CB TYR A 17 123.242 -15.122 4.814 1.00 0.00 C ATOM 250 CG TYR A 17 123.710 -13.809 5.396 1.00 0.00 C ATOM 251 CD1 TYR A 17 124.972 -13.307 5.056 1.00 0.00 C ATOM 252 CD2 TYR A 17 122.891 -13.102 6.281 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.414 -12.098 5.601 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.333 -11.891 6.829 1.00 0.00 C ATOM 255 CZ TYR A 17 124.594 -11.390 6.488 1.00 0.00 C ATOM 256 OH TYR A 17 125.031 -10.197 7.028 1.00 0.00 O ATOM 0 H TYR A 17 120.771 -14.660 4.662 1.00 0.00 H new ATOM 0 HA TYR A 17 123.008 -14.077 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.565 -15.614 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.094 -15.787 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.604 -13.854 4.372 1.00 0.00 H new ATOM 0 HD2 TYR A 17 121.917 -13.489 6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.387 -11.710 5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.701 -11.345 7.514 1.00 0.00 H new ATOM 0 HH TYR A 17 126.005 -10.224 7.137 1.00 0.00 H new ATOM 266 N GLU A 18 121.679 -17.080 2.839 1.00 0.00 N ATOM 267 CA GLU A 18 121.715 -18.379 2.106 1.00 0.00 C ATOM 268 C GLU A 18 121.206 -18.228 0.665 1.00 0.00 C ATOM 269 O GLU A 18 121.043 -19.206 -0.037 1.00 0.00 O ATOM 270 CB GLU A 18 120.843 -19.396 2.843 1.00 0.00 C ATOM 271 CG GLU A 18 121.403 -19.623 4.248 1.00 0.00 C ATOM 272 CD GLU A 18 122.731 -20.377 4.155 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.903 -21.121 3.203 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.555 -20.197 5.037 1.00 0.00 O ATOM 0 H GLU A 18 120.892 -16.966 3.478 1.00 0.00 H new ATOM 0 HA GLU A 18 122.750 -18.719 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.816 -19.035 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.819 -20.337 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.550 -18.667 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.691 -20.192 4.847 1.00 0.00 H new ATOM 281 N ILE A 19 120.959 -17.031 0.204 1.00 0.00 N ATOM 282 CA ILE A 19 120.473 -16.880 -1.201 1.00 0.00 C ATOM 283 C ILE A 19 121.474 -17.531 -2.162 1.00 0.00 C ATOM 284 O ILE A 19 121.090 -18.176 -3.116 1.00 0.00 O ATOM 285 CB ILE A 19 120.317 -15.392 -1.541 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.098 -14.829 -0.801 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.125 -15.211 -3.052 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.076 -13.300 -0.908 1.00 0.00 C ATOM 0 H ILE A 19 121.070 -16.163 0.728 1.00 0.00 H new ATOM 0 HA ILE A 19 119.505 -17.370 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 19 121.217 -14.859 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.183 -15.244 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.129 -15.127 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.015 -14.151 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.993 -15.608 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.230 -15.745 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.206 -12.911 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.984 -12.891 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.023 -13.009 -1.957 1.00 0.00 H new ATOM 300 N ASN A 20 122.748 -17.373 -1.916 1.00 0.00 N ATOM 301 CA ASN A 20 123.768 -17.980 -2.818 1.00 0.00 C ATOM 302 C ASN A 20 125.130 -17.965 -2.123 1.00 0.00 C ATOM 303 O ASN A 20 125.271 -17.479 -1.018 1.00 0.00 O ATOM 304 CB ASN A 20 123.872 -17.163 -4.115 1.00 0.00 C ATOM 305 CG ASN A 20 122.659 -17.433 -5.006 1.00 0.00 C ATOM 306 OD1 ASN A 20 122.249 -18.564 -5.168 1.00 0.00 O ATOM 307 ND2 ASN A 20 122.062 -16.431 -5.593 1.00 0.00 N ATOM 0 H ASN A 20 123.126 -16.848 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 20 123.472 -19.003 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.931 -16.100 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.788 -17.424 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 20 121.251 -16.598 -6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 20 122.407 -15.481 -5.456 1.00 0.00 H new ATOM 314 N ASP A 21 126.132 -18.496 -2.768 1.00 0.00 N ATOM 315 CA ASP A 21 127.493 -18.523 -2.160 1.00 0.00 C ATOM 316 C ASP A 21 128.255 -17.260 -2.564 1.00 0.00 C ATOM 317 O ASP A 21 129.427 -17.120 -2.286 1.00 0.00 O ATOM 318 CB ASP A 21 128.241 -19.758 -2.665 1.00 0.00 C ATOM 319 CG ASP A 21 128.300 -19.725 -4.193 1.00 0.00 C ATOM 320 OD1 ASP A 21 127.703 -18.830 -4.769 1.00 0.00 O ATOM 321 OD2 ASP A 21 128.932 -20.598 -4.761 1.00 0.00 O ATOM 0 H ASP A 21 126.066 -18.915 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 21 127.412 -18.563 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.249 -19.781 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 21 127.738 -20.665 -2.329 1.00 0.00 H new ATOM 326 N ASP A 22 127.593 -16.338 -3.212 1.00 0.00 N ATOM 327 CA ASP A 22 128.273 -15.078 -3.636 1.00 0.00 C ATOM 328 C ASP A 22 128.980 -14.445 -2.411 1.00 0.00 C ATOM 329 O ASP A 22 128.313 -13.981 -1.508 1.00 0.00 O ATOM 330 CB ASP A 22 127.210 -14.102 -4.169 1.00 0.00 C ATOM 331 CG ASP A 22 125.908 -14.288 -3.388 1.00 0.00 C ATOM 332 OD1 ASP A 22 125.976 -14.775 -2.272 1.00 0.00 O ATOM 333 OD2 ASP A 22 124.866 -13.943 -3.920 1.00 0.00 O ATOM 0 H ASP A 22 126.607 -16.403 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 22 129.009 -15.290 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.562 -13.075 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.038 -14.279 -5.231 1.00 0.00 H new ATOM 338 N PRO A 23 130.306 -14.410 -2.354 1.00 0.00 N ATOM 339 CA PRO A 23 130.989 -13.799 -1.175 1.00 0.00 C ATOM 340 C PRO A 23 130.701 -12.293 -1.056 1.00 0.00 C ATOM 341 O PRO A 23 130.529 -11.771 0.028 1.00 0.00 O ATOM 342 CB PRO A 23 132.484 -14.061 -1.462 1.00 0.00 C ATOM 343 CG PRO A 23 132.606 -14.807 -2.807 1.00 0.00 C ATOM 344 CD PRO A 23 131.201 -14.962 -3.416 1.00 0.00 C ATOM 0 HA PRO A 23 130.649 -14.221 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.032 -13.120 -1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 23 132.925 -14.653 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.254 -14.255 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.062 -15.785 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.104 -14.410 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 23 130.970 -16.004 -3.636 1.00 0.00 H new ATOM 352 N LYS A 24 130.661 -11.593 -2.157 1.00 0.00 N ATOM 353 CA LYS A 24 130.397 -10.128 -2.089 1.00 0.00 C ATOM 354 C LYS A 24 129.037 -9.874 -1.442 1.00 0.00 C ATOM 355 O LYS A 24 128.899 -9.012 -0.598 1.00 0.00 O ATOM 356 CB LYS A 24 130.429 -9.530 -3.497 1.00 0.00 C ATOM 357 CG LYS A 24 131.868 -9.547 -4.019 1.00 0.00 C ATOM 358 CD LYS A 24 131.938 -8.861 -5.389 1.00 0.00 C ATOM 359 CE LYS A 24 131.151 -9.668 -6.428 1.00 0.00 C ATOM 360 NZ LYS A 24 131.634 -9.316 -7.793 1.00 0.00 N ATOM 0 H LYS A 24 130.799 -11.969 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 24 131.169 -9.653 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.781 -10.101 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 24 130.048 -8.509 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 132.525 -9.038 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 24 132.222 -10.575 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.533 -7.852 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 24 132.977 -8.766 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 24 131.278 -10.736 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.086 -9.455 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 131.102 -9.862 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 131.491 -8.300 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 132.646 -9.541 -7.872 1.00 0.00 H new ATOM 374 N ARG A 25 128.032 -10.624 -1.803 1.00 0.00 N ATOM 375 CA ARG A 25 126.706 -10.412 -1.166 1.00 0.00 C ATOM 376 C ARG A 25 126.855 -10.638 0.335 1.00 0.00 C ATOM 377 O ARG A 25 126.370 -9.870 1.142 1.00 0.00 O ATOM 378 CB ARG A 25 125.689 -11.397 -1.744 1.00 0.00 C ATOM 379 CG ARG A 25 124.338 -11.218 -1.041 1.00 0.00 C ATOM 380 CD ARG A 25 123.267 -12.076 -1.731 1.00 0.00 C ATOM 381 NE ARG A 25 122.696 -11.325 -2.888 1.00 0.00 N ATOM 382 CZ ARG A 25 123.280 -11.365 -4.056 1.00 0.00 C ATOM 383 NH1 ARG A 25 123.189 -12.437 -4.795 1.00 0.00 N ATOM 384 NH2 ARG A 25 123.945 -10.329 -4.488 1.00 0.00 N ATOM 0 H ARG A 25 128.072 -11.365 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 25 126.354 -9.399 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.577 -11.232 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.044 -12.419 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.424 -11.503 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.044 -10.169 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.703 -13.015 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.478 -12.330 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 25 121.844 -10.777 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.662 -13.244 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 25 123.645 -12.468 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 25 124.009 -9.488 -3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 25 124.401 -10.360 -5.400 1.00 0.00 H new ATOM 398 N LYS A 26 127.539 -11.681 0.715 1.00 0.00 N ATOM 399 CA LYS A 26 127.737 -11.948 2.163 1.00 0.00 C ATOM 400 C LYS A 26 128.476 -10.757 2.776 1.00 0.00 C ATOM 401 O LYS A 26 128.130 -10.276 3.837 1.00 0.00 O ATOM 402 CB LYS A 26 128.572 -13.221 2.335 1.00 0.00 C ATOM 403 CG LYS A 26 127.746 -14.429 1.878 1.00 0.00 C ATOM 404 CD LYS A 26 128.574 -15.720 2.003 1.00 0.00 C ATOM 405 CE LYS A 26 128.534 -16.240 3.444 1.00 0.00 C ATOM 406 NZ LYS A 26 129.202 -17.572 3.510 1.00 0.00 N ATOM 0 H LYS A 26 127.968 -12.358 0.085 1.00 0.00 H new ATOM 0 HA LYS A 26 126.776 -12.085 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 26 129.490 -13.150 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 26 128.866 -13.340 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 126.842 -14.509 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.429 -14.291 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 26 128.183 -16.478 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 26 129.605 -15.529 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 26 129.034 -15.537 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 26 127.502 -16.322 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 129.175 -17.926 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 128.706 -18.240 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 130.191 -17.480 3.202 1.00 0.00 H new ATOM 420 N GLU A 27 129.489 -10.273 2.106 1.00 0.00 N ATOM 421 CA GLU A 27 130.248 -9.105 2.637 1.00 0.00 C ATOM 422 C GLU A 27 129.330 -7.881 2.677 1.00 0.00 C ATOM 423 O GLU A 27 129.313 -7.138 3.639 1.00 0.00 O ATOM 424 CB GLU A 27 131.451 -8.821 1.732 1.00 0.00 C ATOM 425 CG GLU A 27 132.345 -7.759 2.379 1.00 0.00 C ATOM 426 CD GLU A 27 132.995 -8.330 3.642 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.048 -9.543 3.760 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.427 -7.544 4.468 1.00 0.00 O ATOM 0 H GLU A 27 129.823 -10.637 1.214 1.00 0.00 H new ATOM 0 HA GLU A 27 130.602 -9.325 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.019 -9.737 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.110 -8.477 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 27 133.114 -7.440 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 27 131.755 -6.877 2.629 1.00 0.00 H new ATOM 435 N PHE A 28 128.556 -7.668 1.643 1.00 0.00 N ATOM 436 CA PHE A 28 127.635 -6.497 1.637 1.00 0.00 C ATOM 437 C PHE A 28 126.659 -6.594 2.808 1.00 0.00 C ATOM 438 O PHE A 28 126.459 -5.645 3.539 1.00 0.00 O ATOM 439 CB PHE A 28 126.851 -6.448 0.318 1.00 0.00 C ATOM 440 CG PHE A 28 125.758 -5.411 0.438 1.00 0.00 C ATOM 441 CD1 PHE A 28 125.995 -4.079 0.084 1.00 0.00 C ATOM 442 CD2 PHE A 28 124.506 -5.792 0.934 1.00 0.00 C ATOM 443 CE1 PHE A 28 124.978 -3.128 0.228 1.00 0.00 C ATOM 444 CE2 PHE A 28 123.489 -4.845 1.074 1.00 0.00 C ATOM 445 CZ PHE A 28 123.724 -3.512 0.723 1.00 0.00 C ATOM 0 H PHE A 28 128.524 -8.253 0.808 1.00 0.00 H new ATOM 0 HA PHE A 28 128.227 -5.587 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.518 -6.200 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.421 -7.425 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 28 126.961 -3.785 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.326 -6.821 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.160 -2.098 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 28 122.522 -5.142 1.453 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.939 -2.778 0.833 1.00 0.00 H new ATOM 455 N LEU A 29 126.031 -7.721 2.983 1.00 0.00 N ATOM 456 CA LEU A 29 125.057 -7.844 4.095 1.00 0.00 C ATOM 457 C LEU A 29 125.781 -7.590 5.414 1.00 0.00 C ATOM 458 O LEU A 29 125.282 -6.907 6.283 1.00 0.00 O ATOM 459 CB LEU A 29 124.472 -9.260 4.102 1.00 0.00 C ATOM 460 CG LEU A 29 123.613 -9.497 2.849 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.390 -11.001 2.671 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.245 -8.810 2.993 1.00 0.00 C ATOM 0 H LEU A 29 126.150 -8.555 2.408 1.00 0.00 H new ATOM 0 HA LEU A 29 124.253 -7.120 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.278 -9.992 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.867 -9.405 4.997 1.00 0.00 H new ATOM 0 HG LEU A 29 124.132 -9.081 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.781 -11.176 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.352 -11.500 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.878 -11.399 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.652 -8.989 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.724 -9.216 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.389 -7.738 3.125 1.00 0.00 H new ATOM 474 N ASP A 30 126.960 -8.118 5.570 1.00 0.00 N ATOM 475 CA ASP A 30 127.703 -7.882 6.833 1.00 0.00 C ATOM 476 C ASP A 30 127.934 -6.378 7.017 1.00 0.00 C ATOM 477 O ASP A 30 127.836 -5.859 8.106 1.00 0.00 O ATOM 478 CB ASP A 30 129.052 -8.605 6.780 1.00 0.00 C ATOM 479 CG ASP A 30 128.824 -10.117 6.851 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.758 -10.516 7.287 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.720 -10.849 6.463 1.00 0.00 O ATOM 0 H ASP A 30 127.438 -8.699 4.882 1.00 0.00 H new ATOM 0 HA ASP A 30 127.121 -8.265 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.578 -8.349 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.682 -8.282 7.609 1.00 0.00 H new ATOM 486 N ASP A 31 128.249 -5.672 5.963 1.00 0.00 N ATOM 487 CA ASP A 31 128.498 -4.206 6.102 1.00 0.00 C ATOM 488 C ASP A 31 127.189 -3.456 6.376 1.00 0.00 C ATOM 489 O ASP A 31 127.086 -2.701 7.323 1.00 0.00 O ATOM 490 CB ASP A 31 129.117 -3.674 4.808 1.00 0.00 C ATOM 491 CG ASP A 31 130.545 -4.204 4.664 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.082 -4.679 5.651 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.074 -4.129 3.568 1.00 0.00 O ATOM 0 H ASP A 31 128.344 -6.043 5.018 1.00 0.00 H new ATOM 0 HA ASP A 31 129.177 -4.046 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.516 -3.982 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.122 -2.584 4.817 1.00 0.00 H new ATOM 498 N LEU A 32 126.192 -3.640 5.551 1.00 0.00 N ATOM 499 CA LEU A 32 124.905 -2.917 5.767 1.00 0.00 C ATOM 500 C LEU A 32 124.305 -3.277 7.129 1.00 0.00 C ATOM 501 O LEU A 32 124.029 -2.412 7.937 1.00 0.00 O ATOM 502 CB LEU A 32 123.932 -3.291 4.639 1.00 0.00 C ATOM 503 CG LEU A 32 122.519 -2.780 4.947 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.559 -1.289 5.296 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.640 -2.986 3.714 1.00 0.00 C ATOM 0 H LEU A 32 126.213 -4.258 4.740 1.00 0.00 H new ATOM 0 HA LEU A 32 125.087 -1.842 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.280 -2.867 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.913 -4.374 4.513 1.00 0.00 H new ATOM 0 HG LEU A 32 122.114 -3.330 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.550 -0.939 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.191 -1.137 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.964 -0.729 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.632 -2.626 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.057 -2.432 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.603 -4.047 3.467 1.00 0.00 H new ATOM 517 N PHE A 33 124.099 -4.534 7.398 1.00 0.00 N ATOM 518 CA PHE A 33 123.511 -4.916 8.712 1.00 0.00 C ATOM 519 C PHE A 33 124.429 -4.434 9.846 1.00 0.00 C ATOM 520 O PHE A 33 123.967 -3.967 10.868 1.00 0.00 O ATOM 521 CB PHE A 33 123.307 -6.435 8.776 1.00 0.00 C ATOM 522 CG PHE A 33 122.055 -6.797 7.998 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.083 -6.765 6.597 1.00 0.00 C ATOM 524 CD2 PHE A 33 120.868 -7.160 8.664 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.942 -7.096 5.862 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.727 -7.490 7.919 1.00 0.00 C ATOM 527 CZ PHE A 33 119.767 -7.461 6.519 1.00 0.00 C ATOM 0 H PHE A 33 124.310 -5.310 6.770 1.00 0.00 H new ATOM 0 HA PHE A 33 122.537 -4.440 8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.172 -6.949 8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.214 -6.759 9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 33 122.990 -6.483 6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 33 120.837 -7.184 9.743 1.00 0.00 H new ATOM 0 HE1 PHE A 33 120.970 -7.069 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.815 -7.767 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.888 -7.721 5.948 1.00 0.00 H new ATOM 537 N SER A 34 125.724 -4.544 9.684 1.00 0.00 N ATOM 538 CA SER A 34 126.647 -4.085 10.767 1.00 0.00 C ATOM 539 C SER A 34 126.450 -2.589 11.051 1.00 0.00 C ATOM 540 O SER A 34 126.392 -2.173 12.187 1.00 0.00 O ATOM 541 CB SER A 34 128.100 -4.327 10.356 1.00 0.00 C ATOM 542 OG SER A 34 128.359 -5.726 10.354 1.00 0.00 O ATOM 0 H SER A 34 126.179 -4.928 8.856 1.00 0.00 H new ATOM 0 HA SER A 34 126.419 -4.653 11.669 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.285 -3.909 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.775 -3.821 11.046 1.00 0.00 H new ATOM 0 HG SER A 34 128.598 -6.013 9.448 1.00 0.00 H new ATOM 548 N PHE A 35 126.362 -1.767 10.039 1.00 0.00 N ATOM 549 CA PHE A 35 126.182 -0.304 10.298 1.00 0.00 C ATOM 550 C PHE A 35 124.890 -0.058 11.085 1.00 0.00 C ATOM 551 O PHE A 35 124.897 0.539 12.143 1.00 0.00 O ATOM 552 CB PHE A 35 126.115 0.450 8.970 1.00 0.00 C ATOM 553 CG PHE A 35 125.933 1.922 9.248 1.00 0.00 C ATOM 554 CD1 PHE A 35 127.051 2.752 9.399 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.645 2.453 9.364 1.00 0.00 C ATOM 556 CE1 PHE A 35 126.877 4.115 9.667 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.471 3.816 9.631 1.00 0.00 C ATOM 558 CZ PHE A 35 125.587 4.647 9.782 1.00 0.00 C ATOM 0 H PHE A 35 126.406 -2.038 9.057 1.00 0.00 H new ATOM 0 HA PHE A 35 127.030 0.054 10.882 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.028 0.285 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.288 0.076 8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 35 128.046 2.341 9.309 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.784 1.811 9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.738 4.756 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.476 4.226 9.720 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.453 5.699 9.987 1.00 0.00 H new ATOM 568 N MET A 36 123.784 -0.515 10.572 1.00 0.00 N ATOM 569 CA MET A 36 122.477 -0.316 11.275 1.00 0.00 C ATOM 570 C MET A 36 122.443 -1.136 12.571 1.00 0.00 C ATOM 571 O MET A 36 121.574 -0.965 13.401 1.00 0.00 O ATOM 572 CB MET A 36 121.340 -0.765 10.355 1.00 0.00 C ATOM 573 CG MET A 36 121.548 -2.230 9.975 1.00 0.00 C ATOM 574 SD MET A 36 120.599 -2.613 8.479 1.00 0.00 S ATOM 575 CE MET A 36 119.201 -3.431 9.282 1.00 0.00 C ATOM 0 H MET A 36 123.724 -1.022 9.689 1.00 0.00 H new ATOM 0 HA MET A 36 122.359 0.739 11.523 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.380 -0.640 10.856 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.315 -0.145 9.459 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.607 -2.425 9.806 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.232 -2.877 10.794 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.575 -3.906 8.527 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.571 -4.187 9.975 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.613 -2.694 9.829 1.00 0.00 H new ATOM 585 N GLN A 37 123.375 -2.030 12.745 1.00 0.00 N ATOM 586 CA GLN A 37 123.391 -2.869 13.981 1.00 0.00 C ATOM 587 C GLN A 37 123.351 -1.963 15.210 1.00 0.00 C ATOM 588 O GLN A 37 123.170 -2.419 16.321 1.00 0.00 O ATOM 589 CB GLN A 37 124.660 -3.723 14.012 1.00 0.00 C ATOM 590 CG GLN A 37 124.616 -4.694 15.195 1.00 0.00 C ATOM 591 CD GLN A 37 125.766 -5.696 15.068 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.606 -5.568 14.199 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.841 -6.695 15.902 1.00 0.00 N ATOM 0 H GLN A 37 124.129 -2.218 12.085 1.00 0.00 H new ATOM 0 HA GLN A 37 122.520 -3.525 13.984 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.756 -4.279 13.079 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.537 -3.081 14.092 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.698 -4.146 16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.661 -5.219 15.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.137 -6.804 16.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.604 -7.368 15.825 1.00 0.00 H new ATOM 602 N LYS A 38 123.515 -0.678 15.025 1.00 0.00 N ATOM 603 CA LYS A 38 123.483 0.248 16.193 1.00 0.00 C ATOM 604 C LYS A 38 122.256 -0.090 17.049 1.00 0.00 C ATOM 605 O LYS A 38 122.343 -0.207 18.254 1.00 0.00 O ATOM 606 CB LYS A 38 123.378 1.688 15.687 1.00 0.00 C ATOM 607 CG LYS A 38 123.543 2.661 16.856 1.00 0.00 C ATOM 608 CD LYS A 38 123.360 4.093 16.351 1.00 0.00 C ATOM 609 CE LYS A 38 123.657 5.077 17.482 1.00 0.00 C ATOM 610 NZ LYS A 38 122.600 4.967 18.524 1.00 0.00 N ATOM 0 H LYS A 38 123.669 -0.233 14.120 1.00 0.00 H new ATOM 0 HA LYS A 38 124.390 0.141 16.788 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.144 1.876 14.935 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.413 1.844 15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.811 2.441 17.633 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.530 2.545 17.305 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.026 4.280 15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.341 4.235 15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 38 124.634 4.865 17.916 1.00 0.00 H new ATOM 0 HE3 LYS A 38 123.695 6.094 17.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 122.682 5.764 19.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 121.664 4.987 18.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 122.715 4.073 19.042 1.00 0.00 H new ATOM 624 N ARG A 39 121.122 -0.291 16.427 1.00 0.00 N ATOM 625 CA ARG A 39 119.909 -0.677 17.204 1.00 0.00 C ATOM 626 C ARG A 39 120.110 -2.109 17.709 1.00 0.00 C ATOM 627 O ARG A 39 119.762 -2.445 18.823 1.00 0.00 O ATOM 628 CB ARG A 39 118.659 -0.625 16.316 1.00 0.00 C ATOM 629 CG ARG A 39 118.390 0.808 15.834 1.00 0.00 C ATOM 630 CD ARG A 39 117.871 1.682 16.984 1.00 0.00 C ATOM 631 NE ARG A 39 117.284 2.935 16.416 1.00 0.00 N ATOM 632 CZ ARG A 39 116.001 3.015 16.173 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.147 2.425 16.965 1.00 0.00 N ATOM 634 NH2 ARG A 39 115.573 3.685 15.137 1.00 0.00 N ATOM 0 H ARG A 39 120.985 -0.205 15.420 1.00 0.00 H new ATOM 0 HA ARG A 39 119.769 0.015 18.034 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.790 -1.283 15.457 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.797 -0.994 16.872 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.306 1.238 15.429 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.660 0.793 15.025 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.119 1.141 17.559 1.00 0.00 H new ATOM 0 HD3 ARG A 39 118.683 1.924 17.669 1.00 0.00 H new ATOM 0 HE ARG A 39 117.888 3.732 16.217 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.480 1.901 17.774 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.147 2.488 16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.239 4.146 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 39 114.573 3.747 14.948 1.00 0.00 H new ATOM 648 N GLY A 40 120.679 -2.952 16.878 1.00 0.00 N ATOM 649 CA GLY A 40 120.929 -4.374 17.269 1.00 0.00 C ATOM 650 C GLY A 40 119.939 -5.306 16.559 1.00 0.00 C ATOM 651 O GLY A 40 120.086 -6.512 16.604 1.00 0.00 O ATOM 0 H GLY A 40 120.984 -2.710 15.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.950 -4.654 17.012 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.831 -4.483 18.349 1.00 0.00 H new ATOM 655 N THR A 41 118.930 -4.765 15.909 1.00 0.00 N ATOM 656 CA THR A 41 117.923 -5.630 15.198 1.00 0.00 C ATOM 657 C THR A 41 118.045 -5.441 13.673 1.00 0.00 C ATOM 658 O THR A 41 118.506 -4.414 13.212 1.00 0.00 O ATOM 659 CB THR A 41 116.507 -5.227 15.666 1.00 0.00 C ATOM 660 OG1 THR A 41 116.504 -3.847 16.003 1.00 0.00 O ATOM 661 CG2 THR A 41 116.102 -6.048 16.896 1.00 0.00 C ATOM 0 H THR A 41 118.759 -3.762 15.840 1.00 0.00 H new ATOM 0 HA THR A 41 118.108 -6.678 15.432 1.00 0.00 H new ATOM 0 HB THR A 41 115.797 -5.418 14.862 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.607 -3.585 16.299 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.102 -5.755 17.216 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.106 -7.108 16.643 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.810 -5.866 17.704 1.00 0.00 H new ATOM 669 N PRO A 42 117.626 -6.422 12.888 1.00 0.00 N ATOM 670 CA PRO A 42 117.701 -6.312 11.402 1.00 0.00 C ATOM 671 C PRO A 42 117.011 -5.041 10.870 1.00 0.00 C ATOM 672 O PRO A 42 116.864 -4.057 11.566 1.00 0.00 O ATOM 673 CB PRO A 42 116.961 -7.588 10.929 1.00 0.00 C ATOM 674 CG PRO A 42 116.475 -8.366 12.169 1.00 0.00 C ATOM 675 CD PRO A 42 117.068 -7.704 13.420 1.00 0.00 C ATOM 0 HA PRO A 42 118.726 -6.236 11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.115 -7.321 10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.626 -8.210 10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.386 -8.361 12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 42 116.786 -9.409 12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.309 -7.529 14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.841 -8.322 13.876 1.00 0.00 H new ATOM 683 N ILE A 43 116.588 -5.072 9.636 1.00 0.00 N ATOM 684 CA ILE A 43 115.907 -3.889 9.036 1.00 0.00 C ATOM 685 C ILE A 43 114.513 -3.733 9.668 1.00 0.00 C ATOM 686 O ILE A 43 114.295 -4.124 10.797 1.00 0.00 O ATOM 687 CB ILE A 43 115.831 -4.103 7.506 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.734 -2.739 6.776 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.626 -4.998 7.134 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.134 -2.160 6.539 1.00 0.00 C ATOM 0 H ILE A 43 116.686 -5.873 9.012 1.00 0.00 H new ATOM 0 HA ILE A 43 116.459 -2.970 9.231 1.00 0.00 H new ATOM 0 HB ILE A 43 116.742 -4.608 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.219 -2.865 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.141 -2.043 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.594 -5.134 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.730 -5.969 7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.703 -4.523 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.049 -1.202 6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.635 -2.016 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.714 -2.850 5.926 1.00 0.00 H new ATOM 702 N ASN A 44 113.570 -3.161 8.964 1.00 0.00 N ATOM 703 CA ASN A 44 112.209 -2.983 9.548 1.00 0.00 C ATOM 704 C ASN A 44 111.377 -4.245 9.309 1.00 0.00 C ATOM 705 O ASN A 44 110.918 -4.877 10.238 1.00 0.00 O ATOM 706 CB ASN A 44 111.527 -1.786 8.882 1.00 0.00 C ATOM 707 CG ASN A 44 110.246 -1.440 9.643 1.00 0.00 C ATOM 708 OD1 ASN A 44 110.079 -1.828 10.782 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.329 -0.720 9.058 1.00 0.00 N ATOM 0 H ASN A 44 113.684 -2.811 8.013 1.00 0.00 H new ATOM 0 HA ASN A 44 112.293 -2.807 10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.200 -0.929 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.294 -2.019 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.472 -0.483 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.469 -0.394 8.102 1.00 0.00 H new ATOM 716 N ARG A 45 111.185 -4.624 8.072 1.00 0.00 N ATOM 717 CA ARG A 45 110.389 -5.854 7.781 1.00 0.00 C ATOM 718 C ARG A 45 110.833 -6.442 6.440 1.00 0.00 C ATOM 719 O ARG A 45 111.283 -5.735 5.560 1.00 0.00 O ATOM 720 CB ARG A 45 108.899 -5.510 7.737 1.00 0.00 C ATOM 721 CG ARG A 45 108.087 -6.788 7.509 1.00 0.00 C ATOM 722 CD ARG A 45 106.603 -6.493 7.734 1.00 0.00 C ATOM 723 NE ARG A 45 105.800 -7.729 7.490 1.00 0.00 N ATOM 724 CZ ARG A 45 105.310 -7.977 6.304 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.393 -7.197 5.799 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.737 -9.005 5.623 1.00 0.00 N ATOM 0 H ARG A 45 111.544 -4.136 7.252 1.00 0.00 H new ATOM 0 HA ARG A 45 110.556 -6.590 8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.597 -5.036 8.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.703 -4.795 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.246 -7.158 6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.421 -7.571 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.443 -6.139 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.275 -5.697 7.065 1.00 0.00 H new ATOM 0 HE ARG A 45 105.633 -8.384 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.058 -6.393 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 45 104.011 -7.391 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 45 106.453 -9.615 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 45 105.354 -9.198 4.697 1.00 0.00 H new ATOM 740 N LEU A 46 110.724 -7.737 6.287 1.00 0.00 N ATOM 741 CA LEU A 46 111.152 -8.403 5.015 1.00 0.00 C ATOM 742 C LEU A 46 110.090 -9.426 4.578 1.00 0.00 C ATOM 743 O LEU A 46 110.189 -10.587 4.917 1.00 0.00 O ATOM 744 CB LEU A 46 112.471 -9.141 5.271 1.00 0.00 C ATOM 745 CG LEU A 46 113.624 -8.124 5.426 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.737 -8.730 6.291 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.195 -7.762 4.045 1.00 0.00 C ATOM 0 H LEU A 46 110.353 -8.370 6.996 1.00 0.00 H new ATOM 0 HA LEU A 46 111.276 -7.653 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.388 -9.749 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.683 -9.821 4.446 1.00 0.00 H new ATOM 0 HG LEU A 46 113.238 -7.224 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.548 -8.010 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.339 -8.977 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.116 -9.635 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.007 -7.045 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.574 -8.662 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.410 -7.322 3.430 1.00 0.00 H new ATOM 759 N PRO A 47 109.078 -9.024 3.841 1.00 0.00 N ATOM 760 CA PRO A 47 108.034 -9.995 3.412 1.00 0.00 C ATOM 761 C PRO A 47 108.620 -11.128 2.557 1.00 0.00 C ATOM 762 O PRO A 47 109.496 -10.918 1.742 1.00 0.00 O ATOM 763 CB PRO A 47 107.043 -9.112 2.622 1.00 0.00 C ATOM 764 CG PRO A 47 107.548 -7.653 2.654 1.00 0.00 C ATOM 765 CD PRO A 47 108.906 -7.615 3.381 1.00 0.00 C ATOM 0 HA PRO A 47 107.562 -10.515 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.962 -9.462 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.047 -9.177 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.652 -7.267 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.828 -7.015 3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.712 -7.306 2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.897 -6.915 4.217 1.00 0.00 H new ATOM 773 N ILE A 48 108.141 -12.329 2.747 1.00 0.00 N ATOM 774 CA ILE A 48 108.660 -13.483 1.964 1.00 0.00 C ATOM 775 C ILE A 48 107.812 -13.643 0.707 1.00 0.00 C ATOM 776 O ILE A 48 106.613 -13.826 0.773 1.00 0.00 O ATOM 777 CB ILE A 48 108.550 -14.762 2.799 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.086 -14.508 4.217 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.357 -15.886 2.135 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.479 -13.875 4.149 1.00 0.00 C ATOM 0 H ILE A 48 107.407 -12.559 3.417 1.00 0.00 H new ATOM 0 HA ILE A 48 109.703 -13.307 1.700 1.00 0.00 H new ATOM 0 HB ILE A 48 107.503 -15.059 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.406 -13.851 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.131 -15.446 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.276 -16.794 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.965 -16.073 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.404 -15.590 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.849 -13.700 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.159 -14.547 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.422 -12.927 3.614 1.00 0.00 H new ATOM 841 N SER A 52 110.630 -16.968 -2.739 1.00 0.00 N ATOM 842 CA SER A 52 111.813 -16.048 -2.709 1.00 0.00 C ATOM 843 C SER A 52 111.653 -15.011 -1.595 1.00 0.00 C ATOM 844 O SER A 52 110.557 -14.671 -1.195 1.00 0.00 O ATOM 845 CB SER A 52 111.923 -15.327 -4.053 1.00 0.00 C ATOM 846 OG SER A 52 112.337 -16.250 -5.050 1.00 0.00 O ATOM 0 HA SER A 52 112.713 -16.634 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.962 -14.889 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.638 -14.507 -3.981 1.00 0.00 H new ATOM 0 HG SER A 52 112.000 -17.143 -4.829 1.00 0.00 H new ATOM 852 N VAL A 53 112.753 -14.499 -1.100 1.00 0.00 N ATOM 853 CA VAL A 53 112.704 -13.472 -0.015 1.00 0.00 C ATOM 854 C VAL A 53 112.996 -12.102 -0.630 1.00 0.00 C ATOM 855 O VAL A 53 113.841 -11.972 -1.494 1.00 0.00 O ATOM 856 CB VAL A 53 113.769 -13.795 1.037 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.602 -12.871 2.248 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.619 -15.251 1.482 1.00 0.00 C ATOM 0 H VAL A 53 113.693 -14.752 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 53 111.721 -13.469 0.456 1.00 0.00 H new ATOM 0 HB VAL A 53 114.758 -13.644 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.363 -13.106 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.712 -11.834 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.613 -13.015 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.376 -15.482 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.628 -15.400 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.746 -15.909 0.622 1.00 0.00 H new ATOM 868 N LEU A 54 112.300 -11.082 -0.210 1.00 0.00 N ATOM 869 CA LEU A 54 112.544 -9.736 -0.799 1.00 0.00 C ATOM 870 C LEU A 54 113.999 -9.337 -0.550 1.00 0.00 C ATOM 871 O LEU A 54 114.360 -8.888 0.521 1.00 0.00 O ATOM 872 CB LEU A 54 111.607 -8.718 -0.142 1.00 0.00 C ATOM 873 CG LEU A 54 111.697 -7.369 -0.873 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.059 -7.469 -2.274 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.966 -6.302 -0.047 1.00 0.00 C ATOM 0 H LEU A 54 111.578 -11.121 0.510 1.00 0.00 H new ATOM 0 HA LEU A 54 112.353 -9.760 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.582 -9.087 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.874 -8.591 0.907 1.00 0.00 H new ATOM 0 HG LEU A 54 112.746 -7.096 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.132 -6.505 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.583 -8.224 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.010 -7.749 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.025 -5.342 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.920 -6.586 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.432 -6.219 0.935 1.00 0.00 H new ATOM 887 N ASP A 55 114.836 -9.511 -1.535 1.00 0.00 N ATOM 888 CA ASP A 55 116.277 -9.161 -1.376 1.00 0.00 C ATOM 889 C ASP A 55 116.460 -7.641 -1.318 1.00 0.00 C ATOM 890 O ASP A 55 116.187 -6.935 -2.269 1.00 0.00 O ATOM 891 CB ASP A 55 117.061 -9.718 -2.566 1.00 0.00 C ATOM 892 CG ASP A 55 118.559 -9.547 -2.316 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.908 -8.785 -1.430 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.332 -10.180 -3.016 1.00 0.00 O ATOM 0 H ASP A 55 114.582 -9.883 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 55 116.645 -9.593 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.824 -10.772 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.773 -9.199 -3.480 1.00 0.00 H new ATOM 899 N LEU A 56 116.947 -7.139 -0.215 1.00 0.00 N ATOM 900 CA LEU A 56 117.184 -5.670 -0.097 1.00 0.00 C ATOM 901 C LEU A 56 118.181 -5.239 -1.175 1.00 0.00 C ATOM 902 O LEU A 56 118.079 -4.169 -1.743 1.00 0.00 O ATOM 903 CB LEU A 56 117.759 -5.342 1.287 1.00 0.00 C ATOM 904 CG LEU A 56 116.746 -5.694 2.386 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.376 -5.417 3.757 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.467 -4.847 2.224 1.00 0.00 C ATOM 0 H LEU A 56 117.192 -7.684 0.612 1.00 0.00 H new ATOM 0 HA LEU A 56 116.241 -5.139 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.683 -5.898 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.011 -4.283 1.341 1.00 0.00 H new ATOM 0 HG LEU A 56 116.481 -6.748 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.662 -5.665 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.272 -6.027 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 56 117.643 -4.363 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 56 114.757 -5.106 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 56 115.719 -3.789 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.020 -5.046 1.250 1.00 0.00 H new ATOM 918 N TYR A 57 119.157 -6.065 -1.443 1.00 0.00 N ATOM 919 CA TYR A 57 120.187 -5.716 -2.464 1.00 0.00 C ATOM 920 C TYR A 57 119.482 -5.311 -3.768 1.00 0.00 C ATOM 921 O TYR A 57 119.855 -4.358 -4.422 1.00 0.00 O ATOM 922 CB TYR A 57 121.081 -6.958 -2.710 1.00 0.00 C ATOM 923 CG TYR A 57 122.498 -6.543 -3.079 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.722 -5.662 -4.143 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.590 -7.041 -2.347 1.00 0.00 C ATOM 926 CE1 TYR A 57 124.020 -5.276 -4.475 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.894 -6.653 -2.681 1.00 0.00 C ATOM 928 CZ TYR A 57 125.110 -5.768 -3.744 1.00 0.00 C ATOM 929 OH TYR A 57 126.393 -5.385 -4.076 1.00 0.00 O ATOM 0 H TYR A 57 119.286 -6.972 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 57 120.803 -4.886 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.101 -7.579 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.656 -7.565 -3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.886 -5.279 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.423 -7.723 -1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 57 124.186 -4.596 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.732 -7.037 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 57 127.030 -5.816 -3.469 1.00 0.00 H new ATOM 939 N GLU A 58 118.463 -6.026 -4.151 1.00 0.00 N ATOM 940 CA GLU A 58 117.756 -5.684 -5.417 1.00 0.00 C ATOM 941 C GLU A 58 117.200 -4.261 -5.325 1.00 0.00 C ATOM 942 O GLU A 58 117.349 -3.475 -6.239 1.00 0.00 O ATOM 943 CB GLU A 58 116.612 -6.680 -5.637 1.00 0.00 C ATOM 944 CG GLU A 58 115.908 -6.380 -6.963 1.00 0.00 C ATOM 945 CD GLU A 58 114.777 -7.389 -7.180 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.718 -8.352 -6.433 1.00 0.00 O ATOM 947 OE2 GLU A 58 113.996 -7.185 -8.094 1.00 0.00 O ATOM 0 H GLU A 58 118.089 -6.829 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 58 118.451 -5.739 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 58 117.001 -7.698 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.900 -6.616 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.508 -5.366 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.621 -6.434 -7.786 1.00 0.00 H new ATOM 954 N LEU A 59 116.575 -3.911 -4.237 1.00 0.00 N ATOM 955 CA LEU A 59 116.040 -2.525 -4.119 1.00 0.00 C ATOM 956 C LEU A 59 117.192 -1.527 -4.238 1.00 0.00 C ATOM 957 O LEU A 59 117.097 -0.533 -4.931 1.00 0.00 O ATOM 958 CB LEU A 59 115.352 -2.339 -2.758 1.00 0.00 C ATOM 959 CG LEU A 59 114.797 -0.905 -2.630 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.732 -0.645 -3.708 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.179 -0.722 -1.238 1.00 0.00 C ATOM 0 H LEU A 59 116.412 -4.516 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 59 115.315 -2.355 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.542 -3.061 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.062 -2.535 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 59 115.612 -0.195 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.350 0.371 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.177 -0.767 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.913 -1.354 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.786 0.290 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.370 -1.439 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.942 -0.887 -0.477 1.00 0.00 H new ATOM 973 N TYR A 60 118.268 -1.763 -3.536 1.00 0.00 N ATOM 974 CA TYR A 60 119.403 -0.802 -3.579 1.00 0.00 C ATOM 975 C TYR A 60 119.957 -0.641 -5.003 1.00 0.00 C ATOM 976 O TYR A 60 120.145 0.465 -5.469 1.00 0.00 O ATOM 977 CB TYR A 60 120.528 -1.261 -2.653 1.00 0.00 C ATOM 978 CG TYR A 60 121.566 -0.173 -2.656 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.258 1.061 -2.079 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.803 -0.369 -3.278 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.178 2.099 -2.122 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.735 0.672 -3.312 1.00 0.00 C ATOM 983 CZ TYR A 60 123.420 1.908 -2.735 1.00 0.00 C ATOM 984 OH TYR A 60 124.321 2.943 -2.781 1.00 0.00 O ATOM 0 H TYR A 60 118.408 -2.577 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 60 119.020 0.162 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.152 -1.434 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.954 -2.202 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.302 1.208 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.037 -1.321 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.935 3.055 -1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.696 0.523 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 60 124.387 3.359 -1.896 1.00 0.00 H new ATOM 994 N ASN A 61 120.250 -1.713 -5.697 1.00 0.00 N ATOM 995 CA ASN A 61 120.818 -1.555 -7.072 1.00 0.00 C ATOM 996 C ASN A 61 119.840 -0.791 -7.969 1.00 0.00 C ATOM 997 O ASN A 61 120.238 0.062 -8.737 1.00 0.00 O ATOM 998 CB ASN A 61 121.082 -2.934 -7.682 1.00 0.00 C ATOM 999 CG ASN A 61 122.310 -3.557 -7.022 1.00 0.00 C ATOM 1000 OD1 ASN A 61 123.116 -2.861 -6.440 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.489 -4.848 -7.097 1.00 0.00 N ATOM 0 H ASN A 61 120.124 -2.674 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 61 121.751 -0.995 -7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 61 120.214 -3.578 -7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.240 -2.844 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.309 -5.275 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.809 -5.430 -7.587 1.00 0.00 H new ATOM 1008 N LEU A 62 118.570 -1.073 -7.883 1.00 0.00 N ATOM 1009 CA LEU A 62 117.602 -0.335 -8.741 1.00 0.00 C ATOM 1010 C LEU A 62 117.627 1.145 -8.353 1.00 0.00 C ATOM 1011 O LEU A 62 117.563 2.020 -9.190 1.00 0.00 O ATOM 1012 CB LEU A 62 116.188 -0.892 -8.534 1.00 0.00 C ATOM 1013 CG LEU A 62 116.116 -2.355 -8.998 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.728 -2.913 -8.671 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.366 -2.449 -10.516 1.00 0.00 C ATOM 0 H LEU A 62 118.164 -1.774 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 62 117.880 -0.453 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.914 -0.824 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.468 -0.291 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 62 116.882 -2.934 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.667 -3.951 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.558 -2.860 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.969 -2.326 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.312 -3.491 -10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.609 -1.871 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.354 -2.051 -10.747 1.00 0.00 H new ATOM 1027 N VAL A 63 117.716 1.427 -7.082 1.00 0.00 N ATOM 1028 CA VAL A 63 117.737 2.845 -6.621 1.00 0.00 C ATOM 1029 C VAL A 63 118.943 3.592 -7.214 1.00 0.00 C ATOM 1030 O VAL A 63 118.801 4.666 -7.763 1.00 0.00 O ATOM 1031 CB VAL A 63 117.802 2.848 -5.088 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.187 4.232 -4.562 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.427 2.468 -4.529 1.00 0.00 C ATOM 0 H VAL A 63 117.775 0.732 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 63 116.836 3.358 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 63 118.557 2.130 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.227 4.209 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.165 4.512 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.445 4.963 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.465 2.468 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.685 3.191 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.152 1.474 -4.883 1.00 0.00 H new ATOM 1043 N ILE A 64 120.123 3.046 -7.109 1.00 0.00 N ATOM 1044 CA ILE A 64 121.315 3.747 -7.671 1.00 0.00 C ATOM 1045 C ILE A 64 121.228 3.738 -9.199 1.00 0.00 C ATOM 1046 O ILE A 64 121.547 4.711 -9.854 1.00 0.00 O ATOM 1047 CB ILE A 64 122.591 3.021 -7.215 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.680 3.020 -5.678 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.830 3.711 -7.793 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.579 4.448 -5.121 1.00 0.00 C ATOM 0 H ILE A 64 120.314 2.150 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 64 121.343 4.778 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 64 122.550 1.993 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.880 2.407 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.622 2.569 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.726 3.186 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.781 3.694 -8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.866 4.744 -7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.645 4.420 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.395 5.052 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.626 4.887 -5.416 1.00 0.00 H new ATOM 1062 N ALA A 65 120.798 2.649 -9.771 1.00 0.00 N ATOM 1063 CA ALA A 65 120.690 2.577 -11.254 1.00 0.00 C ATOM 1064 C ALA A 65 119.854 3.752 -11.771 1.00 0.00 C ATOM 1065 O ALA A 65 119.861 4.056 -12.947 1.00 0.00 O ATOM 1066 CB ALA A 65 120.017 1.261 -11.650 1.00 0.00 C ATOM 0 H ALA A 65 120.516 1.804 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 65 121.687 2.626 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.937 1.206 -12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.613 0.424 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.021 1.215 -11.210 1.00 0.00 H new ATOM 1072 N ARG A 66 119.122 4.410 -10.903 1.00 0.00 N ATOM 1073 CA ARG A 66 118.269 5.562 -11.345 1.00 0.00 C ATOM 1074 C ARG A 66 118.970 6.887 -11.028 1.00 0.00 C ATOM 1075 O ARG A 66 118.394 7.948 -11.166 1.00 0.00 O ATOM 1076 CB ARG A 66 116.921 5.501 -10.612 1.00 0.00 C ATOM 1077 CG ARG A 66 116.193 4.185 -10.940 1.00 0.00 C ATOM 1078 CD ARG A 66 115.493 4.270 -12.304 1.00 0.00 C ATOM 1079 NE ARG A 66 114.962 2.925 -12.664 1.00 0.00 N ATOM 1080 CZ ARG A 66 115.782 1.981 -13.042 1.00 0.00 C ATOM 1081 NH1 ARG A 66 116.451 2.103 -14.156 1.00 0.00 N ATOM 1082 NH2 ARG A 66 115.936 0.916 -12.303 1.00 0.00 N ATOM 0 H ARG A 66 119.078 4.199 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 66 118.106 5.499 -12.421 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.080 5.578 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.302 6.349 -10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.907 3.361 -10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.460 3.967 -10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.682 4.997 -12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.193 4.614 -13.065 1.00 0.00 H new ATOM 0 HE ARG A 66 113.960 2.742 -12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 66 116.334 2.936 -14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 66 117.091 1.365 -14.450 1.00 0.00 H new ATOM 0 HH21 ARG A 66 115.416 0.821 -11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 66 116.576 0.179 -12.598 1.00 0.00 H new ATOM 1096 N GLY A 67 120.217 6.839 -10.632 1.00 0.00 N ATOM 1097 CA GLY A 67 120.972 8.100 -10.337 1.00 0.00 C ATOM 1098 C GLY A 67 121.033 8.365 -8.830 1.00 0.00 C ATOM 1099 O GLY A 67 121.839 9.152 -8.374 1.00 0.00 O ATOM 0 H GLY A 67 120.748 5.979 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.983 8.025 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.492 8.941 -10.838 1.00 0.00 H new ATOM 1103 N GLY A 68 120.207 7.716 -8.044 1.00 0.00 N ATOM 1104 CA GLY A 68 120.247 7.943 -6.562 1.00 0.00 C ATOM 1105 C GLY A 68 118.835 8.024 -5.990 1.00 0.00 C ATOM 1106 O GLY A 68 117.891 8.364 -6.675 1.00 0.00 O ATOM 0 H GLY A 68 119.510 7.042 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.794 7.133 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.786 8.865 -6.345 1.00 0.00 H new ATOM 1110 N LEU A 69 118.686 7.719 -4.729 1.00 0.00 N ATOM 1111 CA LEU A 69 117.341 7.790 -4.098 1.00 0.00 C ATOM 1112 C LEU A 69 116.787 9.216 -4.187 1.00 0.00 C ATOM 1113 O LEU A 69 115.643 9.423 -4.536 1.00 0.00 O ATOM 1114 CB LEU A 69 117.434 7.367 -2.629 1.00 0.00 C ATOM 1115 CG LEU A 69 116.072 7.552 -1.935 1.00 0.00 C ATOM 1116 CD1 LEU A 69 114.960 6.866 -2.745 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.134 6.924 -0.537 1.00 0.00 C ATOM 0 H LEU A 69 119.440 7.423 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 69 116.669 7.115 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.746 6.325 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.193 7.960 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 69 115.852 8.617 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.004 7.006 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 114.913 7.304 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.174 5.800 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.173 7.051 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.360 5.861 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.913 7.413 0.047 1.00 0.00 H new ATOM 1129 N VAL A 70 117.578 10.204 -3.863 1.00 0.00 N ATOM 1130 CA VAL A 70 117.061 11.598 -3.927 1.00 0.00 C ATOM 1131 C VAL A 70 116.637 11.874 -5.365 1.00 0.00 C ATOM 1132 O VAL A 70 115.619 12.490 -5.612 1.00 0.00 O ATOM 1133 CB VAL A 70 118.143 12.597 -3.480 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.567 14.020 -3.471 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.618 12.240 -2.060 1.00 0.00 C ATOM 0 H VAL A 70 118.547 10.107 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 70 116.211 11.715 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 70 118.981 12.547 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.338 14.722 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.228 14.282 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.726 14.068 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.384 12.948 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.774 12.287 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.032 11.232 -2.058 1.00 0.00 H new ATOM 1145 N ASP A 71 117.391 11.405 -6.321 1.00 0.00 N ATOM 1146 CA ASP A 71 116.993 11.628 -7.734 1.00 0.00 C ATOM 1147 C ASP A 71 115.629 10.970 -7.947 1.00 0.00 C ATOM 1148 O ASP A 71 114.764 11.498 -8.617 1.00 0.00 O ATOM 1149 CB ASP A 71 118.019 10.985 -8.670 1.00 0.00 C ATOM 1150 CG ASP A 71 119.332 11.767 -8.612 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.300 12.913 -8.197 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.348 11.207 -8.990 1.00 0.00 O ATOM 0 H ASP A 71 118.256 10.883 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 71 116.943 12.696 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.189 9.948 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.637 10.973 -9.691 1.00 0.00 H new ATOM 1157 N VAL A 72 115.439 9.811 -7.371 1.00 0.00 N ATOM 1158 CA VAL A 72 114.143 9.092 -7.519 1.00 0.00 C ATOM 1159 C VAL A 72 113.017 9.879 -6.836 1.00 0.00 C ATOM 1160 O VAL A 72 111.961 10.071 -7.399 1.00 0.00 O ATOM 1161 CB VAL A 72 114.261 7.702 -6.874 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.882 7.038 -6.789 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.203 6.832 -7.714 1.00 0.00 C ATOM 0 H VAL A 72 116.134 9.330 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 72 113.909 8.992 -8.579 1.00 0.00 H new ATOM 0 HB VAL A 72 114.661 7.808 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.980 6.054 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.217 7.656 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.467 6.931 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.289 5.845 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.804 6.733 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.187 7.299 -7.757 1.00 0.00 H new ATOM 1173 N ILE A 73 113.218 10.314 -5.620 1.00 0.00 N ATOM 1174 CA ILE A 73 112.137 11.063 -4.914 1.00 0.00 C ATOM 1175 C ILE A 73 111.799 12.352 -5.672 1.00 0.00 C ATOM 1176 O ILE A 73 110.656 12.612 -5.992 1.00 0.00 O ATOM 1177 CB ILE A 73 112.603 11.411 -3.497 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.789 10.118 -2.696 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.553 12.290 -2.811 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.488 10.426 -1.369 1.00 0.00 C ATOM 0 H ILE A 73 114.078 10.184 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 73 111.245 10.438 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 73 113.548 11.952 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.821 9.653 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.379 9.405 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.887 12.536 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.417 13.208 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.606 11.752 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.618 9.503 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.463 10.871 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.881 11.123 -0.791 1.00 0.00 H new ATOM 1192 N ASN A 74 112.778 13.164 -5.961 1.00 0.00 N ATOM 1193 CA ASN A 74 112.499 14.432 -6.695 1.00 0.00 C ATOM 1194 C ASN A 74 111.870 14.127 -8.060 1.00 0.00 C ATOM 1195 O ASN A 74 110.856 14.689 -8.425 1.00 0.00 O ATOM 1196 CB ASN A 74 113.802 15.210 -6.885 1.00 0.00 C ATOM 1197 CG ASN A 74 113.513 16.510 -7.638 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.406 16.733 -8.086 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.469 17.384 -7.799 1.00 0.00 N ATOM 0 H ASN A 74 113.757 13.006 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 74 111.799 15.033 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.251 15.430 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.521 14.607 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.286 18.253 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.399 17.198 -7.423 1.00 0.00 H new ATOM 1206 N LYS A 75 112.464 13.243 -8.819 1.00 0.00 N ATOM 1207 CA LYS A 75 111.902 12.907 -10.162 1.00 0.00 C ATOM 1208 C LYS A 75 110.748 11.910 -10.011 1.00 0.00 C ATOM 1209 O LYS A 75 110.019 11.645 -10.947 1.00 0.00 O ATOM 1210 CB LYS A 75 113.005 12.296 -11.034 1.00 0.00 C ATOM 1211 CG LYS A 75 114.150 13.304 -11.233 1.00 0.00 C ATOM 1212 CD LYS A 75 113.697 14.463 -12.137 1.00 0.00 C ATOM 1213 CE LYS A 75 114.919 15.200 -12.695 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.666 14.307 -13.627 1.00 0.00 N ATOM 0 H LYS A 75 113.314 12.739 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 75 111.525 13.814 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.387 11.389 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.594 12.006 -12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.472 13.693 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.010 12.803 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.088 14.080 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.072 15.154 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 75 114.603 16.103 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.569 15.515 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.164 14.883 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 116.357 13.745 -13.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 114.999 13.669 -14.106 1.00 0.00 H new ATOM 1228 N LYS A 76 110.574 11.364 -8.841 1.00 0.00 N ATOM 1229 CA LYS A 76 109.466 10.388 -8.614 1.00 0.00 C ATOM 1230 C LYS A 76 109.575 9.221 -9.603 1.00 0.00 C ATOM 1231 O LYS A 76 108.749 9.061 -10.480 1.00 0.00 O ATOM 1232 CB LYS A 76 108.120 11.091 -8.798 1.00 0.00 C ATOM 1233 CG LYS A 76 106.997 10.166 -8.325 1.00 0.00 C ATOM 1234 CD LYS A 76 105.648 10.863 -8.506 1.00 0.00 C ATOM 1235 CE LYS A 76 104.528 9.943 -8.018 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.404 8.778 -8.940 1.00 0.00 N ATOM 0 H LYS A 76 111.155 11.552 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 76 109.540 9.998 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.103 12.022 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.974 11.353 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.016 9.235 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.145 9.904 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.633 11.799 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.495 11.115 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 76 104.741 9.598 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 76 103.586 10.490 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.485 8.314 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 104.470 9.106 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.169 8.101 -8.748 1.00 0.00 H new ATOM 1250 N LEU A 77 110.588 8.401 -9.463 1.00 0.00 N ATOM 1251 CA LEU A 77 110.763 7.230 -10.384 1.00 0.00 C ATOM 1252 C LEU A 77 110.376 5.946 -9.644 1.00 0.00 C ATOM 1253 O LEU A 77 110.791 4.862 -10.002 1.00 0.00 O ATOM 1254 CB LEU A 77 112.229 7.133 -10.818 1.00 0.00 C ATOM 1255 CG LEU A 77 112.652 8.413 -11.550 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.168 8.387 -11.768 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.939 8.511 -12.909 1.00 0.00 C ATOM 0 H LEU A 77 111.307 8.492 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 77 110.130 7.360 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.864 6.978 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.366 6.270 -11.470 1.00 0.00 H new ATOM 0 HG LEU A 77 112.377 9.278 -10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.476 9.294 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.673 8.332 -10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.434 7.517 -12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.249 9.424 -13.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 112.202 7.648 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.860 8.530 -12.753 1.00 0.00 H new ATOM 1269 N TRP A 78 109.596 6.060 -8.604 1.00 0.00 N ATOM 1270 CA TRP A 78 109.194 4.847 -7.832 1.00 0.00 C ATOM 1271 C TRP A 78 108.439 3.868 -8.736 1.00 0.00 C ATOM 1272 O TRP A 78 108.394 2.682 -8.473 1.00 0.00 O ATOM 1273 CB TRP A 78 108.279 5.251 -6.674 1.00 0.00 C ATOM 1274 CG TRP A 78 109.065 5.962 -5.620 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.972 7.283 -5.347 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.049 5.420 -4.692 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.832 7.587 -4.308 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.519 6.472 -3.871 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.575 4.131 -4.483 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.474 6.257 -2.880 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.538 3.910 -3.483 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.986 4.972 -2.683 1.00 0.00 C ATOM 0 H TRP A 78 109.219 6.941 -8.254 1.00 0.00 H new ATOM 0 HA TRP A 78 110.094 4.368 -7.448 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.480 5.896 -7.040 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.805 4.366 -6.250 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.330 7.986 -5.857 1.00 0.00 H new ATOM 0 HE1 TRP A 78 109.945 8.521 -3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.237 3.307 -5.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.816 7.078 -2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.935 2.917 -3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.726 4.796 -1.916 1.00 0.00 H new ATOM 1293 N GLN A 79 107.826 4.347 -9.784 1.00 0.00 N ATOM 1294 CA GLN A 79 107.057 3.428 -10.671 1.00 0.00 C ATOM 1295 C GLN A 79 107.994 2.360 -11.244 1.00 0.00 C ATOM 1296 O GLN A 79 107.644 1.198 -11.323 1.00 0.00 O ATOM 1297 CB GLN A 79 106.433 4.226 -11.819 1.00 0.00 C ATOM 1298 CG GLN A 79 105.443 3.338 -12.578 1.00 0.00 C ATOM 1299 CD GLN A 79 104.217 3.075 -11.700 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.430 3.966 -11.452 1.00 0.00 O ATOM 1301 NE2 GLN A 79 104.029 1.882 -11.205 1.00 0.00 N ATOM 0 H GLN A 79 107.824 5.328 -10.063 1.00 0.00 H new ATOM 0 HA GLN A 79 106.269 2.946 -10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.923 5.107 -11.429 1.00 0.00 H new ATOM 0 HB3 GLN A 79 107.211 4.581 -12.494 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.141 3.822 -13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.918 2.395 -12.850 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.690 1.133 -11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 79 103.221 1.698 -10.610 1.00 0.00 H new ATOM 1310 N GLU A 80 109.180 2.733 -11.637 1.00 0.00 N ATOM 1311 CA GLU A 80 110.123 1.721 -12.191 1.00 0.00 C ATOM 1312 C GLU A 80 110.432 0.672 -11.120 1.00 0.00 C ATOM 1313 O GLU A 80 110.445 -0.513 -11.386 1.00 0.00 O ATOM 1314 CB GLU A 80 111.417 2.413 -12.628 1.00 0.00 C ATOM 1315 CG GLU A 80 111.147 3.271 -13.867 1.00 0.00 C ATOM 1316 CD GLU A 80 110.287 4.476 -13.478 1.00 0.00 C ATOM 1317 OE1 GLU A 80 110.299 4.836 -12.313 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.632 5.017 -14.352 1.00 0.00 O ATOM 0 H GLU A 80 109.536 3.688 -11.599 1.00 0.00 H new ATOM 0 HA GLU A 80 109.669 1.232 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.800 3.035 -11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 80 112.183 1.669 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 80 112.088 3.608 -14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.639 2.679 -14.628 1.00 0.00 H new ATOM 1325 N ILE A 81 110.667 1.096 -9.906 1.00 0.00 N ATOM 1326 CA ILE A 81 110.959 0.114 -8.822 1.00 0.00 C ATOM 1327 C ILE A 81 109.681 -0.661 -8.502 1.00 0.00 C ATOM 1328 O ILE A 81 109.688 -1.867 -8.367 1.00 0.00 O ATOM 1329 CB ILE A 81 111.430 0.863 -7.569 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.789 1.521 -7.838 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.567 -0.121 -6.404 1.00 0.00 C ATOM 1332 CD1 ILE A 81 113.081 2.551 -6.746 1.00 0.00 C ATOM 0 H ILE A 81 110.669 2.075 -9.620 1.00 0.00 H new ATOM 0 HA ILE A 81 111.740 -0.575 -9.145 1.00 0.00 H new ATOM 0 HB ILE A 81 110.699 1.631 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.574 0.765 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.785 2.003 -8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.902 0.413 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.602 -0.587 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.295 -0.890 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 81 114.047 3.019 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.302 3.313 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 81 113.103 2.056 -5.775 1.00 0.00 H new ATOM 1344 N ILE A 82 108.580 0.029 -8.389 1.00 0.00 N ATOM 1345 CA ILE A 82 107.293 -0.654 -8.089 1.00 0.00 C ATOM 1346 C ILE A 82 106.925 -1.574 -9.255 1.00 0.00 C ATOM 1347 O ILE A 82 106.448 -2.674 -9.060 1.00 0.00 O ATOM 1348 CB ILE A 82 106.202 0.390 -7.856 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.497 1.119 -6.543 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.839 -0.301 -7.759 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.584 2.334 -6.406 1.00 0.00 C ATOM 0 H ILE A 82 108.517 1.042 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 82 107.392 -1.256 -7.186 1.00 0.00 H new ATOM 0 HB ILE A 82 106.184 1.099 -8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.347 0.444 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.541 1.433 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 82 104.063 0.446 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.635 -0.835 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.847 -1.007 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.800 2.848 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.756 3.014 -7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.543 2.010 -6.410 1.00 0.00 H new ATOM 1537 N ALA A 95 104.951 2.690 -2.747 1.00 0.00 N ATOM 1538 CA ALA A 95 105.798 3.911 -2.840 1.00 0.00 C ATOM 1539 C ALA A 95 106.061 4.459 -1.435 1.00 0.00 C ATOM 1540 O ALA A 95 107.189 4.642 -1.025 1.00 0.00 O ATOM 1541 CB ALA A 95 105.068 4.978 -3.673 1.00 0.00 C ATOM 0 HA ALA A 95 106.745 3.659 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.687 5.872 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.878 4.591 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.121 5.228 -3.195 1.00 0.00 H new ATOM 1547 N PHE A 96 105.019 4.735 -0.706 1.00 0.00 N ATOM 1548 CA PHE A 96 105.186 5.288 0.668 1.00 0.00 C ATOM 1549 C PHE A 96 105.933 4.288 1.562 1.00 0.00 C ATOM 1550 O PHE A 96 106.758 4.662 2.371 1.00 0.00 O ATOM 1551 CB PHE A 96 103.806 5.575 1.262 1.00 0.00 C ATOM 1552 CG PHE A 96 103.956 6.148 2.652 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.059 7.533 2.824 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.990 5.300 3.765 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.195 8.072 4.109 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.127 5.839 5.051 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.228 7.225 5.222 1.00 0.00 C ATOM 0 H PHE A 96 104.052 4.601 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 96 105.768 6.208 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.265 6.276 0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.218 4.658 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.034 8.187 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.911 4.231 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.274 9.141 4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.155 5.185 5.910 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.331 7.640 6.214 1.00 0.00 H new ATOM 1567 N THR A 97 105.638 3.022 1.445 1.00 0.00 N ATOM 1568 CA THR A 97 106.328 2.017 2.308 1.00 0.00 C ATOM 1569 C THR A 97 107.812 1.911 1.934 1.00 0.00 C ATOM 1570 O THR A 97 108.667 1.766 2.783 1.00 0.00 O ATOM 1571 CB THR A 97 105.667 0.647 2.127 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.297 0.729 2.497 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.373 -0.386 3.010 1.00 0.00 C ATOM 0 H THR A 97 104.953 2.640 0.793 1.00 0.00 H new ATOM 0 HA THR A 97 106.246 2.338 3.346 1.00 0.00 H new ATOM 0 HB THR A 97 105.745 0.344 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.873 -0.147 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.901 -1.360 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.423 -0.451 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.298 -0.084 4.055 1.00 0.00 H new ATOM 1581 N LEU A 98 108.125 1.949 0.671 1.00 0.00 N ATOM 1582 CA LEU A 98 109.553 1.820 0.252 1.00 0.00 C ATOM 1583 C LEU A 98 110.384 3.021 0.729 1.00 0.00 C ATOM 1584 O LEU A 98 111.451 2.863 1.289 1.00 0.00 O ATOM 1585 CB LEU A 98 109.619 1.744 -1.277 1.00 0.00 C ATOM 1586 CG LEU A 98 108.976 0.435 -1.776 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.597 0.585 -3.252 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.962 -0.736 -1.636 1.00 0.00 C ATOM 0 H LEU A 98 107.457 2.064 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 98 109.964 0.916 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.103 2.600 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.657 1.796 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 98 108.089 0.232 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.142 -0.340 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.887 1.405 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.492 0.797 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.492 -1.652 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.855 -0.532 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.239 -0.855 -0.589 1.00 0.00 H new ATOM 1600 N ARG A 99 109.925 4.219 0.478 1.00 0.00 N ATOM 1601 CA ARG A 99 110.712 5.428 0.878 1.00 0.00 C ATOM 1602 C ARG A 99 110.956 5.495 2.395 1.00 0.00 C ATOM 1603 O ARG A 99 112.017 5.890 2.832 1.00 0.00 O ATOM 1604 CB ARG A 99 109.991 6.698 0.405 1.00 0.00 C ATOM 1605 CG ARG A 99 108.674 6.882 1.160 1.00 0.00 C ATOM 1606 CD ARG A 99 107.945 8.110 0.613 1.00 0.00 C ATOM 1607 NE ARG A 99 107.632 7.896 -0.832 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.571 8.912 -1.652 1.00 0.00 C ATOM 1609 NH1 ARG A 99 108.659 9.564 -1.963 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.425 9.271 -2.163 1.00 0.00 N ATOM 0 H ARG A 99 109.039 4.415 0.013 1.00 0.00 H new ATOM 0 HA ARG A 99 111.688 5.354 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.631 7.566 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.797 6.635 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.050 5.995 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.867 7.004 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.026 8.282 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.564 8.999 0.735 1.00 0.00 H new ATOM 0 HE ARG A 99 107.465 6.952 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.555 9.280 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.613 10.357 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.576 8.759 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.378 10.064 -2.803 1.00 0.00 H new ATOM 1624 N THR A 100 109.990 5.151 3.208 1.00 0.00 N ATOM 1625 CA THR A 100 110.210 5.250 4.684 1.00 0.00 C ATOM 1626 C THR A 100 111.133 4.124 5.175 1.00 0.00 C ATOM 1627 O THR A 100 112.047 4.356 5.941 1.00 0.00 O ATOM 1628 CB THR A 100 108.860 5.189 5.418 1.00 0.00 C ATOM 1629 OG1 THR A 100 109.022 5.679 6.741 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.349 3.749 5.470 1.00 0.00 C ATOM 0 H THR A 100 109.072 4.811 2.921 1.00 0.00 H new ATOM 0 HA THR A 100 110.692 6.203 4.900 1.00 0.00 H new ATOM 0 HB THR A 100 108.136 5.802 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 100 108.163 5.643 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.393 3.721 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.220 3.372 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.070 3.126 5.999 1.00 0.00 H new ATOM 1638 N GLN A 101 110.904 2.911 4.751 1.00 0.00 N ATOM 1639 CA GLN A 101 111.775 1.790 5.210 1.00 0.00 C ATOM 1640 C GLN A 101 113.208 2.050 4.753 1.00 0.00 C ATOM 1641 O GLN A 101 114.155 1.911 5.507 1.00 0.00 O ATOM 1642 CB GLN A 101 111.273 0.480 4.601 1.00 0.00 C ATOM 1643 CG GLN A 101 109.938 0.102 5.244 1.00 0.00 C ATOM 1644 CD GLN A 101 109.428 -1.209 4.641 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.542 -1.836 5.186 1.00 0.00 O ATOM 1646 NE2 GLN A 101 109.952 -1.652 3.532 1.00 0.00 N ATOM 0 H GLN A 101 110.156 2.648 4.110 1.00 0.00 H new ATOM 0 HA GLN A 101 111.746 1.720 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.152 0.589 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.004 -0.312 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.060 -0.005 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.208 0.896 5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 101 110.696 -1.126 3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.618 -2.525 3.123 1.00 0.00 H new ATOM 1655 N TYR A 102 113.369 2.439 3.523 1.00 0.00 N ATOM 1656 CA TYR A 102 114.729 2.721 3.004 1.00 0.00 C ATOM 1657 C TYR A 102 115.337 3.842 3.850 1.00 0.00 C ATOM 1658 O TYR A 102 116.441 3.747 4.344 1.00 0.00 O ATOM 1659 CB TYR A 102 114.609 3.175 1.546 1.00 0.00 C ATOM 1660 CG TYR A 102 115.971 3.226 0.888 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.868 4.256 1.196 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.330 2.245 -0.047 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.119 4.304 0.570 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.580 2.297 -0.674 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.475 3.326 -0.363 1.00 0.00 C ATOM 1666 OH TYR A 102 119.704 3.383 -0.985 1.00 0.00 O ATOM 0 H TYR A 102 112.613 2.574 2.852 1.00 0.00 H new ATOM 0 HA TYR A 102 115.361 1.835 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.961 2.491 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.142 4.159 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.595 5.013 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.641 1.448 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.811 5.098 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.853 1.543 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 102 120.195 4.170 -0.668 1.00 0.00 H new ATOM 1676 N MET A 103 114.606 4.902 4.025 1.00 0.00 N ATOM 1677 CA MET A 103 115.107 6.045 4.835 1.00 0.00 C ATOM 1678 C MET A 103 115.389 5.598 6.270 1.00 0.00 C ATOM 1679 O MET A 103 116.250 6.137 6.937 1.00 0.00 O ATOM 1680 CB MET A 103 114.049 7.154 4.852 1.00 0.00 C ATOM 1681 CG MET A 103 114.646 8.423 5.467 1.00 0.00 C ATOM 1682 SD MET A 103 113.380 9.724 5.530 1.00 0.00 S ATOM 1683 CE MET A 103 113.380 10.199 3.778 1.00 0.00 C ATOM 0 H MET A 103 113.671 5.028 3.637 1.00 0.00 H new ATOM 0 HA MET A 103 116.031 6.415 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.704 7.357 3.838 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.180 6.833 5.427 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.016 8.213 6.470 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.498 8.759 4.876 1.00 0.00 H new ATOM 0 HE1 MET A 103 113.543 11.273 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.177 9.668 3.257 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.420 9.941 3.331 1.00 0.00 H new ATOM 1693 N LYS A 104 114.644 4.653 6.773 1.00 0.00 N ATOM 1694 CA LYS A 104 114.849 4.225 8.184 1.00 0.00 C ATOM 1695 C LYS A 104 116.282 3.694 8.407 1.00 0.00 C ATOM 1696 O LYS A 104 116.874 3.961 9.433 1.00 0.00 O ATOM 1697 CB LYS A 104 113.817 3.144 8.543 1.00 0.00 C ATOM 1698 CG LYS A 104 113.579 3.134 10.062 1.00 0.00 C ATOM 1699 CD LYS A 104 112.543 2.055 10.434 1.00 0.00 C ATOM 1700 CE LYS A 104 111.118 2.608 10.285 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.147 1.478 10.260 1.00 0.00 N ATOM 0 H LYS A 104 113.905 4.161 6.270 1.00 0.00 H new ATOM 0 HA LYS A 104 114.714 5.090 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.880 3.335 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.171 2.167 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.517 2.942 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.228 4.113 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.670 1.183 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.706 1.723 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 104 110.889 3.280 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.037 3.192 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.225 1.805 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.042 1.132 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.495 0.707 10.865 1.00 0.00 H new ATOM 1715 N TYR A 105 116.853 2.941 7.481 1.00 0.00 N ATOM 1716 CA TYR A 105 118.252 2.415 7.714 1.00 0.00 C ATOM 1717 C TYR A 105 119.105 2.409 6.436 1.00 0.00 C ATOM 1718 O TYR A 105 120.266 2.053 6.491 1.00 0.00 O ATOM 1719 CB TYR A 105 118.180 0.976 8.222 1.00 0.00 C ATOM 1720 CG TYR A 105 117.513 0.933 9.569 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.255 1.200 10.724 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.154 0.623 9.664 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.636 1.158 11.976 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.534 0.579 10.914 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.275 0.847 12.073 1.00 0.00 C ATOM 1726 OH TYR A 105 115.665 0.801 13.311 1.00 0.00 O ATOM 0 H TYR A 105 116.424 2.673 6.595 1.00 0.00 H new ATOM 0 HA TYR A 105 118.716 3.081 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.626 0.360 7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.184 0.557 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.306 1.438 10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.583 0.417 8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 105 118.208 1.365 12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.484 0.339 10.988 1.00 0.00 H new ATOM 0 HH TYR A 105 114.719 0.572 13.201 1.00 0.00 H new ATOM 1736 N LEU A 106 118.568 2.759 5.290 1.00 0.00 N ATOM 1737 CA LEU A 106 119.399 2.714 4.031 1.00 0.00 C ATOM 1738 C LEU A 106 119.798 4.120 3.564 1.00 0.00 C ATOM 1739 O LEU A 106 120.755 4.269 2.830 1.00 0.00 O ATOM 1740 CB LEU A 106 118.602 1.999 2.925 1.00 0.00 C ATOM 1741 CG LEU A 106 118.639 0.466 3.158 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.360 -0.190 2.610 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.860 -0.136 2.446 1.00 0.00 C ATOM 0 H LEU A 106 117.605 3.070 5.167 1.00 0.00 H new ATOM 0 HA LEU A 106 120.317 2.167 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.570 2.351 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.023 2.238 1.948 1.00 0.00 H new ATOM 0 HG LEU A 106 118.706 0.278 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.401 -1.266 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.491 0.226 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.281 0.005 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.883 -1.213 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.794 0.065 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.771 0.312 2.844 1.00 0.00 H new ATOM 1755 N TYR A 107 119.113 5.159 3.967 1.00 0.00 N ATOM 1756 CA TYR A 107 119.544 6.510 3.500 1.00 0.00 C ATOM 1757 C TYR A 107 120.879 6.903 4.162 1.00 0.00 C ATOM 1758 O TYR A 107 121.707 7.521 3.521 1.00 0.00 O ATOM 1759 CB TYR A 107 118.465 7.577 3.762 1.00 0.00 C ATOM 1760 CG TYR A 107 119.047 8.946 3.492 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.224 9.379 2.174 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.417 9.775 4.557 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.769 10.642 1.918 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.961 11.040 4.303 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.137 11.474 2.982 1.00 0.00 C ATOM 1766 OH TYR A 107 120.676 12.719 2.730 1.00 0.00 O ATOM 0 H TYR A 107 118.298 5.135 4.580 1.00 0.00 H new ATOM 0 HA TYR A 107 119.690 6.459 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.601 7.403 3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.116 7.513 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.940 8.738 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.283 9.439 5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.906 10.975 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.245 11.681 5.125 1.00 0.00 H new ATOM 0 HH TYR A 107 120.875 13.167 3.579 1.00 0.00 H new ATOM 1776 N PRO A 108 121.127 6.549 5.408 1.00 0.00 N ATOM 1777 CA PRO A 108 122.425 6.905 6.037 1.00 0.00 C ATOM 1778 C PRO A 108 123.536 6.025 5.459 1.00 0.00 C ATOM 1779 O PRO A 108 124.648 6.459 5.232 1.00 0.00 O ATOM 1780 CB PRO A 108 122.174 6.603 7.531 1.00 0.00 C ATOM 1781 CG PRO A 108 120.732 6.072 7.679 1.00 0.00 C ATOM 1782 CD PRO A 108 120.181 5.790 6.272 1.00 0.00 C ATOM 0 HA PRO A 108 122.741 7.934 5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.890 5.866 7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.311 7.504 8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.721 5.164 8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.108 6.803 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.182 4.725 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.155 6.140 6.158 1.00 0.00 H new ATOM 1790 N TYR A 109 123.215 4.785 5.210 1.00 0.00 N ATOM 1791 CA TYR A 109 124.211 3.847 4.632 1.00 0.00 C ATOM 1792 C TYR A 109 124.538 4.295 3.208 1.00 0.00 C ATOM 1793 O TYR A 109 125.677 4.521 2.865 1.00 0.00 O ATOM 1794 CB TYR A 109 123.613 2.438 4.605 1.00 0.00 C ATOM 1795 CG TYR A 109 124.692 1.434 4.281 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.730 1.221 5.194 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.655 0.711 3.079 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.733 0.292 4.910 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.661 -0.220 2.795 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.702 -0.430 3.710 1.00 0.00 C ATOM 1801 OH TYR A 109 127.694 -1.346 3.430 1.00 0.00 O ATOM 0 H TYR A 109 122.295 4.380 5.385 1.00 0.00 H new ATOM 0 HA TYR A 109 125.120 3.842 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.164 2.205 5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.818 2.384 3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.756 1.776 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.852 0.872 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.534 0.130 5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.635 -0.777 1.870 1.00 0.00 H new ATOM 0 HH TYR A 109 127.521 -1.759 2.558 1.00 0.00 H new ATOM 1811 N GLU A 110 123.534 4.441 2.382 1.00 0.00 N ATOM 1812 CA GLU A 110 123.762 4.883 0.981 1.00 0.00 C ATOM 1813 C GLU A 110 124.611 6.157 0.973 1.00 0.00 C ATOM 1814 O GLU A 110 125.599 6.257 0.272 1.00 0.00 O ATOM 1815 CB GLU A 110 122.399 5.181 0.350 1.00 0.00 C ATOM 1816 CG GLU A 110 122.580 5.661 -1.088 1.00 0.00 C ATOM 1817 CD GLU A 110 121.210 5.739 -1.767 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.219 5.680 -1.060 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.172 5.862 -2.979 1.00 0.00 O ATOM 0 H GLU A 110 122.558 4.270 2.624 1.00 0.00 H new ATOM 0 HA GLU A 110 124.283 4.106 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.778 4.285 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.878 5.941 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.062 6.639 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.231 4.978 -1.633 1.00 0.00 H new ATOM 1826 N CYS A 111 124.229 7.127 1.752 1.00 0.00 N ATOM 1827 CA CYS A 111 124.994 8.406 1.811 1.00 0.00 C ATOM 1828 C CYS A 111 126.408 8.157 2.349 1.00 0.00 C ATOM 1829 O CYS A 111 127.360 8.792 1.943 1.00 0.00 O ATOM 1830 CB CYS A 111 124.262 9.383 2.736 1.00 0.00 C ATOM 1831 SG CYS A 111 125.109 10.982 2.730 1.00 0.00 S ATOM 0 H CYS A 111 123.410 7.090 2.359 1.00 0.00 H new ATOM 0 HA CYS A 111 125.069 8.825 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.230 9.506 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.228 8.983 3.749 1.00 0.00 H new ATOM 0 HG CYS A 111 124.422 11.834 2.028 1.00 0.00 H new ATOM 1837 N GLU A 112 126.547 7.268 3.290 1.00 0.00 N ATOM 1838 CA GLU A 112 127.891 7.013 3.888 1.00 0.00 C ATOM 1839 C GLU A 112 128.888 6.503 2.833 1.00 0.00 C ATOM 1840 O GLU A 112 130.005 6.975 2.761 1.00 0.00 O ATOM 1841 CB GLU A 112 127.747 5.974 5.005 1.00 0.00 C ATOM 1842 CG GLU A 112 129.108 5.710 5.655 1.00 0.00 C ATOM 1843 CD GLU A 112 128.933 4.748 6.831 1.00 0.00 C ATOM 1844 OE1 GLU A 112 127.799 4.496 7.200 1.00 0.00 O ATOM 1845 OE2 GLU A 112 129.937 4.283 7.346 1.00 0.00 O ATOM 0 H GLU A 112 125.788 6.704 3.674 1.00 0.00 H new ATOM 0 HA GLU A 112 128.278 7.950 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.040 6.330 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.342 5.046 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.796 5.286 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.546 6.647 6.000 1.00 0.00 H new ATOM 1852 N LYS A 113 128.522 5.531 2.035 1.00 0.00 N ATOM 1853 CA LYS A 113 129.496 5.000 1.022 1.00 0.00 C ATOM 1854 C LYS A 113 129.492 5.829 -0.276 1.00 0.00 C ATOM 1855 O LYS A 113 130.513 5.944 -0.926 1.00 0.00 O ATOM 1856 CB LYS A 113 129.178 3.530 0.704 1.00 0.00 C ATOM 1857 CG LYS A 113 127.678 3.347 0.470 1.00 0.00 C ATOM 1858 CD LYS A 113 127.379 1.882 0.155 1.00 0.00 C ATOM 1859 CE LYS A 113 125.875 1.713 -0.055 1.00 0.00 C ATOM 1860 NZ LYS A 113 125.561 0.276 -0.292 1.00 0.00 N ATOM 0 H LYS A 113 127.605 5.085 2.037 1.00 0.00 H new ATOM 0 HA LYS A 113 130.492 5.075 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 113 129.731 3.215 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.504 2.895 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.122 3.659 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.349 3.980 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 113 127.921 1.571 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 113 127.719 1.245 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 113 125.333 2.075 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 113 125.547 2.312 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 124.954 0.187 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 126.444 -0.252 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 125.065 -0.112 0.536 1.00 0.00 H new ATOM 1874 N LYS A 114 128.371 6.393 -0.677 1.00 0.00 N ATOM 1875 CA LYS A 114 128.338 7.193 -1.957 1.00 0.00 C ATOM 1876 C LYS A 114 128.126 8.687 -1.673 1.00 0.00 C ATOM 1877 O LYS A 114 128.485 9.527 -2.473 1.00 0.00 O ATOM 1878 CB LYS A 114 127.196 6.691 -2.844 1.00 0.00 C ATOM 1879 CG LYS A 114 127.535 5.296 -3.374 1.00 0.00 C ATOM 1880 CD LYS A 114 126.396 4.792 -4.260 1.00 0.00 C ATOM 1881 CE LYS A 114 126.728 3.385 -4.761 1.00 0.00 C ATOM 1882 NZ LYS A 114 126.724 2.439 -3.609 1.00 0.00 N ATOM 0 H LYS A 114 127.482 6.336 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 114 129.296 7.065 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.267 6.659 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.038 7.379 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.464 5.328 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.694 4.609 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 114 125.462 4.779 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 114 126.251 5.466 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 114 125.998 3.071 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 114 127.704 3.380 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 126.729 1.461 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 127.569 2.600 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 125.871 2.595 -3.035 1.00 0.00 H new ATOM 1896 N ASN A 115 127.539 9.034 -0.559 1.00 0.00 N ATOM 1897 CA ASN A 115 127.310 10.484 -0.270 1.00 0.00 C ATOM 1898 C ASN A 115 126.585 11.124 -1.454 1.00 0.00 C ATOM 1899 O ASN A 115 126.984 12.155 -1.959 1.00 0.00 O ATOM 1900 CB ASN A 115 128.654 11.184 -0.055 1.00 0.00 C ATOM 1901 CG ASN A 115 128.411 12.613 0.440 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.322 13.535 -0.348 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.300 12.838 1.721 1.00 0.00 N ATOM 0 H ASN A 115 127.211 8.387 0.157 1.00 0.00 H new ATOM 0 HA ASN A 115 126.704 10.585 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.251 10.633 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.220 11.201 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.139 13.786 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 115 128.374 12.065 2.383 1.00 0.00 H new ATOM 1910 N LEU A 116 125.527 10.512 -1.903 1.00 0.00 N ATOM 1911 CA LEU A 116 124.769 11.065 -3.060 1.00 0.00 C ATOM 1912 C LEU A 116 124.247 12.465 -2.738 1.00 0.00 C ATOM 1913 O LEU A 116 124.227 13.337 -3.584 1.00 0.00 O ATOM 1914 CB LEU A 116 123.563 10.173 -3.351 1.00 0.00 C ATOM 1915 CG LEU A 116 124.013 8.750 -3.688 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.775 7.858 -3.757 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.741 8.723 -5.043 1.00 0.00 C ATOM 0 H LEU A 116 125.151 9.646 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 116 125.439 11.107 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.900 10.155 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.991 10.586 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 116 124.700 8.393 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.075 6.838 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.264 7.870 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.102 8.229 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.054 7.703 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.068 9.076 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.617 9.370 -4.998 1.00 0.00 H new ATOM 1929 N SER A 117 123.779 12.681 -1.537 1.00 0.00 N ATOM 1930 CA SER A 117 123.211 14.017 -1.192 1.00 0.00 C ATOM 1931 C SER A 117 123.378 14.309 0.304 1.00 0.00 C ATOM 1932 O SER A 117 123.739 13.448 1.083 1.00 0.00 O ATOM 1933 CB SER A 117 121.722 14.005 -1.547 1.00 0.00 C ATOM 1934 OG SER A 117 121.576 14.181 -2.950 1.00 0.00 O ATOM 0 H SER A 117 123.765 11.994 -0.783 1.00 0.00 H new ATOM 0 HA SER A 117 123.737 14.792 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.269 13.063 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.202 14.800 -1.012 1.00 0.00 H new ATOM 0 HG SER A 117 121.744 15.118 -3.181 1.00 0.00 H new ATOM 1940 N THR A 118 123.099 15.528 0.701 1.00 0.00 N ATOM 1941 CA THR A 118 123.209 15.929 2.137 1.00 0.00 C ATOM 1942 C THR A 118 121.803 16.332 2.614 1.00 0.00 C ATOM 1943 O THR A 118 120.969 16.700 1.814 1.00 0.00 O ATOM 1944 CB THR A 118 124.174 17.127 2.236 1.00 0.00 C ATOM 1945 OG1 THR A 118 124.053 17.919 1.064 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.618 16.625 2.361 1.00 0.00 C ATOM 0 H THR A 118 122.794 16.275 0.077 1.00 0.00 H new ATOM 0 HA THR A 118 123.590 15.116 2.755 1.00 0.00 H new ATOM 0 HB THR A 118 123.924 17.721 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.663 18.684 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.295 17.477 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.714 16.012 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.873 16.029 1.485 1.00 0.00 H new ATOM 1954 N PRO A 119 121.520 16.260 3.892 1.00 0.00 N ATOM 1955 CA PRO A 119 120.166 16.627 4.389 1.00 0.00 C ATOM 1956 C PRO A 119 119.658 17.953 3.796 1.00 0.00 C ATOM 1957 O PRO A 119 118.469 18.196 3.733 1.00 0.00 O ATOM 1958 CB PRO A 119 120.390 16.721 5.916 1.00 0.00 C ATOM 1959 CG PRO A 119 121.871 16.391 6.209 1.00 0.00 C ATOM 1960 CD PRO A 119 122.496 15.823 4.927 1.00 0.00 C ATOM 0 HA PRO A 119 119.397 15.909 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 119 120.145 17.721 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.735 16.025 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.404 17.286 6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.946 15.668 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.492 16.226 4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.593 14.738 4.965 1.00 0.00 H new ATOM 1968 N ALA A 120 120.543 18.808 3.365 1.00 0.00 N ATOM 1969 CA ALA A 120 120.097 20.109 2.783 1.00 0.00 C ATOM 1970 C ALA A 120 119.387 19.875 1.444 1.00 0.00 C ATOM 1971 O ALA A 120 118.248 20.261 1.250 1.00 0.00 O ATOM 1972 CB ALA A 120 121.308 21.018 2.566 1.00 0.00 C ATOM 0 H ALA A 120 121.553 18.665 3.389 1.00 0.00 H new ATOM 0 HA ALA A 120 119.402 20.585 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.979 21.967 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.802 21.200 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 120 122.006 20.536 1.882 1.00 0.00 H new ATOM 1978 N GLU A 121 120.058 19.254 0.512 1.00 0.00 N ATOM 1979 CA GLU A 121 119.433 19.006 -0.818 1.00 0.00 C ATOM 1980 C GLU A 121 118.333 17.952 -0.684 1.00 0.00 C ATOM 1981 O GLU A 121 117.390 17.931 -1.449 1.00 0.00 O ATOM 1982 CB GLU A 121 120.508 18.555 -1.826 1.00 0.00 C ATOM 1983 CG GLU A 121 121.626 17.804 -1.103 1.00 0.00 C ATOM 1984 CD GLU A 121 122.559 17.162 -2.131 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.058 16.492 -3.018 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.758 17.354 -2.015 1.00 0.00 O ATOM 0 H GLU A 121 121.012 18.908 0.614 1.00 0.00 H new ATOM 0 HA GLU A 121 118.983 19.928 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.060 17.913 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.918 19.422 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.186 18.489 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.203 17.039 -0.453 1.00 0.00 H new ATOM 1993 N LEU A 122 118.436 17.081 0.278 1.00 0.00 N ATOM 1994 CA LEU A 122 117.377 16.047 0.441 1.00 0.00 C ATOM 1995 C LEU A 122 116.051 16.768 0.686 1.00 0.00 C ATOM 1996 O LEU A 122 115.028 16.424 0.128 1.00 0.00 O ATOM 1997 CB LEU A 122 117.705 15.152 1.644 1.00 0.00 C ATOM 1998 CG LEU A 122 116.652 14.037 1.794 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.840 12.974 0.704 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.816 13.378 3.161 1.00 0.00 C ATOM 0 H LEU A 122 119.199 17.039 0.953 1.00 0.00 H new ATOM 0 HA LEU A 122 117.315 15.424 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.694 14.711 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.738 15.753 2.553 1.00 0.00 H new ATOM 0 HG LEU A 122 115.658 14.474 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 122 116.089 12.193 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 122 116.730 13.436 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.835 12.537 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 122 116.074 12.588 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.816 12.952 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.675 14.124 3.944 1.00 0.00 H new ATOM 2012 N GLN A 123 116.071 17.773 1.518 1.00 0.00 N ATOM 2013 CA GLN A 123 114.825 18.533 1.808 1.00 0.00 C ATOM 2014 C GLN A 123 114.299 19.133 0.506 1.00 0.00 C ATOM 2015 O GLN A 123 113.110 19.155 0.258 1.00 0.00 O ATOM 2016 CB GLN A 123 115.123 19.651 2.811 1.00 0.00 C ATOM 2017 CG GLN A 123 113.833 20.405 3.139 1.00 0.00 C ATOM 2018 CD GLN A 123 114.131 21.521 4.139 1.00 0.00 C ATOM 2019 OE1 GLN A 123 115.216 21.597 4.678 1.00 0.00 O ATOM 2020 NE2 GLN A 123 113.197 22.383 4.422 1.00 0.00 N ATOM 0 H GLN A 123 116.901 18.101 2.011 1.00 0.00 H new ATOM 0 HA GLN A 123 114.076 17.866 2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.552 19.232 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.862 20.337 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.403 20.824 2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 123 113.094 19.719 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.286 22.316 3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 123 113.376 23.125 5.098 1.00 0.00 H new ATOM 2029 N ALA A 124 115.172 19.623 -0.332 1.00 0.00 N ATOM 2030 CA ALA A 124 114.705 20.213 -1.616 1.00 0.00 C ATOM 2031 C ALA A 124 113.916 19.148 -2.379 1.00 0.00 C ATOM 2032 O ALA A 124 112.892 19.421 -2.972 1.00 0.00 O ATOM 2033 CB ALA A 124 115.912 20.662 -2.446 1.00 0.00 C ATOM 0 H ALA A 124 116.181 19.640 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 124 114.071 21.079 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.567 21.094 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.478 21.409 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.550 19.803 -2.654 1.00 0.00 H new ATOM 2039 N ALA A 125 114.380 17.928 -2.348 1.00 0.00 N ATOM 2040 CA ALA A 125 113.656 16.832 -3.049 1.00 0.00 C ATOM 2041 C ALA A 125 112.319 16.594 -2.342 1.00 0.00 C ATOM 2042 O ALA A 125 111.303 16.363 -2.969 1.00 0.00 O ATOM 2043 CB ALA A 125 114.505 15.552 -3.007 1.00 0.00 C ATOM 0 H ALA A 125 115.232 17.644 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 125 113.477 17.105 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 125 113.977 14.748 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.460 15.732 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.682 15.266 -1.970 1.00 0.00 H new ATOM 2049 N ILE A 126 112.313 16.647 -1.038 1.00 0.00 N ATOM 2050 CA ILE A 126 111.045 16.424 -0.287 1.00 0.00 C ATOM 2051 C ILE A 126 110.098 17.609 -0.508 1.00 0.00 C ATOM 2052 O ILE A 126 108.905 17.437 -0.662 1.00 0.00 O ATOM 2053 CB ILE A 126 111.360 16.276 1.206 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.168 14.992 1.416 1.00 0.00 C ATOM 2055 CG2 ILE A 126 110.060 16.190 2.007 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.705 14.947 2.847 1.00 0.00 C ATOM 0 H ILE A 126 113.132 16.835 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 126 110.562 15.515 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 126 111.932 17.140 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.541 14.121 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.994 14.951 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.292 16.085 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.476 17.097 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.484 15.326 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.279 14.032 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.348 15.810 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.872 14.967 3.549 1.00 0.00 H new