USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 885 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 59 HIS : no HE2:sc= -15.4! C(o=-24!,f=-37!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -8.2! C(o=-24!,f=-29!) USER MOD Set 1.3: A 100 SER OG : rot 176:sc= 0.0549 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -8.36! C(o=-8.4!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 30 ASN : amide:sc=-0.000153 X(o=-0.00015,f=-0.25) USER MOD Single : A 32 TYR OH : rot 72:sc= 0.269 USER MOD Single : A 37 THR OG1 : rot -140:sc= -4.67! USER MOD Single : A 41 TYR OH : rot -60:sc= -2.93! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.21 USER MOD Single : A 48 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 51 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.8!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.72 X(o=-2.7,f=-2.3!) USER MOD Single : A 66 CYS SG : rot 180:sc= -2.37 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -110:sc= -0.247 USER MOD Single : A 80 GLN : amide:sc= -3.69! K(o=-3.7!,f=-1.3) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.926 K(o=-0.93,f=-5.9!) USER MOD Single : A 91 GLN : amide:sc= -0.776 K(o=-0.78,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.74) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 177:sc= -3.05! (180deg=-3.23!) USER MOD Single : A 109 SER OG : rot -34:sc= 0.0291 USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= -1.24 (180deg=-1.95) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -121:sc= -2.04! (180deg=-4.55!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 102.871 -6.250 12.310 1.00 0.00 N ATOM 36 CA PRO A 3 102.653 -7.057 11.079 1.00 0.00 C ATOM 37 C PRO A 3 101.844 -8.328 11.359 1.00 0.00 C ATOM 38 O PRO A 3 102.393 -9.381 11.614 1.00 0.00 O ATOM 39 CB PRO A 3 104.070 -7.409 10.631 1.00 0.00 C ATOM 40 CG PRO A 3 104.935 -6.300 11.139 1.00 0.00 C ATOM 41 CD PRO A 3 104.238 -5.707 12.370 1.00 0.00 C ATOM 0 HA PRO A 3 102.080 -6.514 10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.384 -8.370 11.039 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.130 -7.488 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.925 -6.674 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.074 -5.538 10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 3 104.742 -5.999 13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 3 104.235 -4.617 12.339 1.00 0.00 H new ATOM 49 N GLU A 4 100.544 -8.233 11.318 1.00 0.00 N ATOM 50 CA GLU A 4 99.699 -9.430 11.586 1.00 0.00 C ATOM 51 C GLU A 4 99.562 -10.270 10.313 1.00 0.00 C ATOM 52 O GLU A 4 99.198 -11.428 10.363 1.00 0.00 O ATOM 53 CB GLU A 4 98.312 -8.980 12.050 1.00 0.00 C ATOM 54 CG GLU A 4 97.561 -10.172 12.647 1.00 0.00 C ATOM 55 CD GLU A 4 96.173 -9.722 13.104 1.00 0.00 C ATOM 56 OE1 GLU A 4 95.325 -10.580 13.289 1.00 0.00 O ATOM 57 OE2 GLU A 4 95.979 -8.529 13.262 1.00 0.00 O ATOM 0 H GLU A 4 100.030 -7.377 11.110 1.00 0.00 H new ATOM 0 HA GLU A 4 100.169 -10.033 12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.405 -8.187 12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.752 -8.568 11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 4 97.472 -10.967 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.118 -10.582 13.490 1.00 0.00 H new ATOM 64 N PHE A 5 99.843 -9.700 9.172 1.00 0.00 N ATOM 65 CA PHE A 5 99.718 -10.482 7.909 1.00 0.00 C ATOM 66 C PHE A 5 100.879 -11.474 7.804 1.00 0.00 C ATOM 67 O PHE A 5 100.924 -12.295 6.909 1.00 0.00 O ATOM 68 CB PHE A 5 99.738 -9.532 6.701 1.00 0.00 C ATOM 69 CG PHE A 5 98.324 -9.194 6.282 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.940 -7.854 6.131 1.00 0.00 C ATOM 71 CD2 PHE A 5 97.392 -10.215 6.045 1.00 0.00 C ATOM 72 CE1 PHE A 5 96.631 -7.540 5.748 1.00 0.00 C ATOM 73 CE2 PHE A 5 96.086 -9.898 5.660 1.00 0.00 C ATOM 74 CZ PHE A 5 95.705 -8.561 5.515 1.00 0.00 C ATOM 0 H PHE A 5 100.151 -8.734 9.060 1.00 0.00 H new ATOM 0 HA PHE A 5 98.774 -11.028 7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 5 100.278 -8.620 6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.270 -9.997 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 5 98.654 -7.064 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.684 -11.248 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.336 -6.508 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 5 95.371 -10.686 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 5 94.694 -8.317 5.223 1.00 0.00 H new ATOM 84 N LEU A 6 101.816 -11.410 8.711 1.00 0.00 N ATOM 85 CA LEU A 6 102.964 -12.354 8.657 1.00 0.00 C ATOM 86 C LEU A 6 102.585 -13.656 9.363 1.00 0.00 C ATOM 87 O LEU A 6 102.925 -14.737 8.920 1.00 0.00 O ATOM 88 CB LEU A 6 104.176 -11.731 9.353 1.00 0.00 C ATOM 89 CG LEU A 6 104.380 -10.300 8.848 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.770 -9.809 9.257 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.259 -10.275 7.323 1.00 0.00 C ATOM 0 H LEU A 6 101.835 -10.746 9.485 1.00 0.00 H new ATOM 0 HA LEU A 6 103.213 -12.562 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.026 -11.728 10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.067 -12.327 9.156 1.00 0.00 H new ATOM 0 HG LEU A 6 103.622 -9.649 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.916 -8.790 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 6 105.857 -9.827 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.528 -10.460 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.404 -9.256 6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.017 -10.925 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.269 -10.625 7.031 1.00 0.00 H new ATOM 103 N LYS A 7 101.883 -13.562 10.456 1.00 0.00 N ATOM 104 CA LYS A 7 101.479 -14.790 11.193 1.00 0.00 C ATOM 105 C LYS A 7 100.047 -15.168 10.810 1.00 0.00 C ATOM 106 O LYS A 7 99.562 -16.230 11.146 1.00 0.00 O ATOM 107 CB LYS A 7 101.552 -14.530 12.699 1.00 0.00 C ATOM 108 CG LYS A 7 102.960 -14.060 13.068 1.00 0.00 C ATOM 109 CD LYS A 7 102.926 -13.368 14.433 1.00 0.00 C ATOM 110 CE LYS A 7 102.480 -14.368 15.501 1.00 0.00 C ATOM 111 NZ LYS A 7 102.887 -13.872 16.847 1.00 0.00 N ATOM 0 H LYS A 7 101.571 -12.685 10.872 1.00 0.00 H new ATOM 0 HA LYS A 7 102.152 -15.607 10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 100.819 -13.776 12.984 1.00 0.00 H new ATOM 0 HB3 LYS A 7 101.305 -15.439 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.643 -14.909 13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.336 -13.373 12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.913 -12.974 14.678 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.242 -12.520 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 7 101.399 -14.500 15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 102.927 -15.344 15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 102.584 -14.552 17.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.921 -13.768 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.440 -12.950 17.027 1.00 0.00 H new ATOM 125 N ALA A 8 99.364 -14.305 10.109 1.00 0.00 N ATOM 126 CA ALA A 8 97.963 -14.613 9.705 1.00 0.00 C ATOM 127 C ALA A 8 97.879 -16.057 9.206 1.00 0.00 C ATOM 128 O ALA A 8 98.882 -16.693 8.947 1.00 0.00 O ATOM 129 CB ALA A 8 97.533 -13.662 8.586 1.00 0.00 C ATOM 0 H ALA A 8 99.716 -13.399 9.798 1.00 0.00 H new ATOM 0 HA ALA A 8 97.303 -14.487 10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.508 -13.887 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.590 -12.633 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.194 -13.787 7.728 1.00 0.00 H new ATOM 135 N GLY A 9 96.690 -16.580 9.072 1.00 0.00 N ATOM 136 CA GLY A 9 96.541 -17.982 8.590 1.00 0.00 C ATOM 137 C GLY A 9 95.517 -18.714 9.460 1.00 0.00 C ATOM 138 O GLY A 9 94.834 -19.613 9.009 1.00 0.00 O ATOM 0 H GLY A 9 95.815 -16.096 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.220 -17.988 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.502 -18.496 8.630 1.00 0.00 H new ATOM 142 N LYS A 10 95.405 -18.338 10.704 1.00 0.00 N ATOM 143 CA LYS A 10 94.426 -19.010 11.602 1.00 0.00 C ATOM 144 C LYS A 10 93.025 -18.462 11.326 1.00 0.00 C ATOM 145 O LYS A 10 92.150 -18.514 12.167 1.00 0.00 O ATOM 146 CB LYS A 10 94.801 -18.739 13.060 1.00 0.00 C ATOM 147 CG LYS A 10 96.238 -19.206 13.315 1.00 0.00 C ATOM 148 CD LYS A 10 96.864 -18.354 14.420 1.00 0.00 C ATOM 149 CE LYS A 10 98.127 -19.040 14.942 1.00 0.00 C ATOM 150 NZ LYS A 10 99.008 -18.032 15.594 1.00 0.00 N ATOM 0 H LYS A 10 95.950 -17.593 11.138 1.00 0.00 H new ATOM 0 HA LYS A 10 94.440 -20.084 11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.709 -17.675 13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 10 94.114 -19.261 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 10 96.244 -20.257 13.604 1.00 0.00 H new ATOM 0 HG3 LYS A 10 96.826 -19.124 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 10 97.108 -17.364 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 10 96.152 -18.214 15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 10 97.861 -19.821 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 10 98.656 -19.524 14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 99.867 -18.499 15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 99.272 -17.302 14.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 98.502 -17.590 16.387 1.00 0.00 H new ATOM 164 N GLU A 11 92.806 -17.937 10.152 1.00 0.00 N ATOM 165 CA GLU A 11 91.467 -17.386 9.818 1.00 0.00 C ATOM 166 C GLU A 11 91.077 -17.812 8.401 1.00 0.00 C ATOM 167 O GLU A 11 91.152 -17.036 7.468 1.00 0.00 O ATOM 168 CB GLU A 11 91.507 -15.858 9.900 1.00 0.00 C ATOM 169 CG GLU A 11 91.826 -15.433 11.335 1.00 0.00 C ATOM 170 CD GLU A 11 91.364 -13.991 11.555 1.00 0.00 C ATOM 171 OE1 GLU A 11 91.471 -13.519 12.675 1.00 0.00 O ATOM 172 OE2 GLU A 11 90.913 -13.383 10.599 1.00 0.00 O ATOM 0 H GLU A 11 93.501 -17.867 9.408 1.00 0.00 H new ATOM 0 HA GLU A 11 90.732 -17.768 10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 92.261 -15.466 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.549 -15.441 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.328 -16.097 12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 92.897 -15.515 11.520 1.00 0.00 H new ATOM 179 N PRO A 12 90.670 -19.040 8.248 1.00 0.00 N ATOM 180 CA PRO A 12 90.259 -19.598 6.927 1.00 0.00 C ATOM 181 C PRO A 12 89.211 -18.723 6.229 1.00 0.00 C ATOM 182 O PRO A 12 88.028 -18.988 6.289 1.00 0.00 O ATOM 183 CB PRO A 12 89.669 -20.970 7.269 1.00 0.00 C ATOM 184 CG PRO A 12 90.256 -21.341 8.591 1.00 0.00 C ATOM 185 CD PRO A 12 90.553 -20.035 9.325 1.00 0.00 C ATOM 0 HA PRO A 12 91.099 -19.650 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.581 -20.927 7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.923 -21.707 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 12 89.562 -21.956 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 12 91.166 -21.926 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.754 -19.778 10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 12 91.472 -20.104 9.906 1.00 0.00 H new ATOM 193 N GLY A 13 89.637 -17.680 5.571 1.00 0.00 N ATOM 194 CA GLY A 13 88.666 -16.794 4.875 1.00 0.00 C ATOM 195 C GLY A 13 89.413 -15.649 4.192 1.00 0.00 C ATOM 196 O GLY A 13 90.013 -15.820 3.149 1.00 0.00 O ATOM 0 H GLY A 13 90.615 -17.404 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 13 88.102 -17.365 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.945 -16.396 5.589 1.00 0.00 H new ATOM 200 N LEU A 14 89.381 -14.480 4.769 1.00 0.00 N ATOM 201 CA LEU A 14 90.085 -13.321 4.150 1.00 0.00 C ATOM 202 C LEU A 14 90.273 -12.212 5.190 1.00 0.00 C ATOM 203 O LEU A 14 89.333 -11.787 5.833 1.00 0.00 O ATOM 204 CB LEU A 14 89.250 -12.794 2.980 1.00 0.00 C ATOM 205 CG LEU A 14 90.084 -11.818 2.145 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.441 -11.652 0.766 1.00 0.00 C ATOM 207 CD2 LEU A 14 90.144 -10.455 2.845 1.00 0.00 C ATOM 0 H LEU A 14 88.897 -14.276 5.644 1.00 0.00 H new ATOM 0 HA LEU A 14 91.063 -13.639 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.914 -13.624 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.357 -12.295 3.355 1.00 0.00 H new ATOM 0 HG LEU A 14 91.095 -12.211 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.033 -10.958 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.401 -12.619 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.430 -11.261 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 14 90.739 -9.765 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 14 89.135 -10.060 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 90.602 -10.570 3.828 1.00 0.00 H new ATOM 219 N GLN A 15 91.479 -11.739 5.356 1.00 0.00 N ATOM 220 CA GLN A 15 91.731 -10.654 6.351 1.00 0.00 C ATOM 221 C GLN A 15 92.170 -9.383 5.615 1.00 0.00 C ATOM 222 O GLN A 15 92.818 -9.444 4.587 1.00 0.00 O ATOM 223 CB GLN A 15 92.830 -11.095 7.320 1.00 0.00 C ATOM 224 CG GLN A 15 92.306 -12.232 8.199 1.00 0.00 C ATOM 225 CD GLN A 15 93.252 -12.442 9.381 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.970 -12.017 10.484 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.373 -13.086 9.200 1.00 0.00 N ATOM 0 H GLN A 15 92.303 -12.057 4.845 1.00 0.00 H new ATOM 0 HA GLN A 15 90.818 -10.451 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.708 -11.425 6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.142 -10.255 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.305 -11.995 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.227 -13.149 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.612 -13.444 8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.010 -13.231 9.983 1.00 0.00 H new ATOM 236 N ILE A 16 91.811 -8.233 6.131 1.00 0.00 N ATOM 237 CA ILE A 16 92.194 -6.954 5.458 1.00 0.00 C ATOM 238 C ILE A 16 92.816 -5.987 6.470 1.00 0.00 C ATOM 239 O ILE A 16 92.205 -5.637 7.461 1.00 0.00 O ATOM 240 CB ILE A 16 90.943 -6.297 4.864 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.326 -7.214 3.799 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.325 -4.959 4.228 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.802 -7.080 3.834 1.00 0.00 C ATOM 0 H ILE A 16 91.270 -8.125 6.989 1.00 0.00 H new ATOM 0 HA ILE A 16 92.917 -7.176 4.673 1.00 0.00 H new ATOM 0 HB ILE A 16 90.214 -6.131 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.703 -6.948 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.615 -8.249 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.436 -4.490 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.754 -4.305 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.057 -5.127 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.362 -7.731 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.434 -7.367 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.523 -6.046 3.630 1.00 0.00 H new ATOM 255 N TRP A 17 94.014 -5.524 6.217 1.00 0.00 N ATOM 256 CA TRP A 17 94.652 -4.553 7.154 1.00 0.00 C ATOM 257 C TRP A 17 95.465 -3.550 6.335 1.00 0.00 C ATOM 258 O TRP A 17 95.822 -3.810 5.202 1.00 0.00 O ATOM 259 CB TRP A 17 95.568 -5.282 8.147 1.00 0.00 C ATOM 260 CG TRP A 17 94.765 -6.248 8.963 1.00 0.00 C ATOM 261 CD1 TRP A 17 93.574 -5.975 9.548 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.076 -7.632 9.299 1.00 0.00 C ATOM 263 NE1 TRP A 17 93.133 -7.105 10.214 1.00 0.00 N ATOM 264 CE2 TRP A 17 94.024 -8.152 10.091 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.156 -8.479 8.995 1.00 0.00 C ATOM 266 CZ2 TRP A 17 94.045 -9.466 10.564 1.00 0.00 C ATOM 267 CZ3 TRP A 17 96.180 -9.801 9.469 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.127 -10.293 10.250 1.00 0.00 C ATOM 0 H TRP A 17 94.576 -5.776 5.404 1.00 0.00 H new ATOM 0 HA TRP A 17 93.880 -4.036 7.723 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.354 -5.812 7.609 1.00 0.00 H new ATOM 0 HB3 TRP A 17 96.059 -4.561 8.800 1.00 0.00 H new ATOM 0 HD1 TRP A 17 93.054 -5.030 9.502 1.00 0.00 H new ATOM 0 HE1 TRP A 17 92.256 -7.158 10.733 1.00 0.00 H new ATOM 0 HE3 TRP A 17 96.973 -8.111 8.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 93.231 -9.840 11.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 97.016 -10.442 9.230 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.151 -11.311 10.610 1.00 0.00 H new ATOM 279 N ARG A 18 95.752 -2.400 6.884 1.00 0.00 N ATOM 280 CA ARG A 18 96.528 -1.384 6.114 1.00 0.00 C ATOM 281 C ARG A 18 97.961 -1.313 6.639 1.00 0.00 C ATOM 282 O ARG A 18 98.228 -1.598 7.789 1.00 0.00 O ATOM 283 CB ARG A 18 95.861 -0.014 6.264 1.00 0.00 C ATOM 284 CG ARG A 18 96.589 1.007 5.387 1.00 0.00 C ATOM 285 CD ARG A 18 95.954 2.386 5.575 1.00 0.00 C ATOM 286 NE ARG A 18 94.477 2.239 5.713 1.00 0.00 N ATOM 287 CZ ARG A 18 93.764 3.233 6.166 1.00 0.00 C ATOM 288 NH1 ARG A 18 92.471 3.106 6.288 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.343 4.355 6.498 1.00 0.00 N ATOM 0 H ARG A 18 95.484 -2.121 7.828 1.00 0.00 H new ATOM 0 HA ARG A 18 96.547 -1.670 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.812 -0.075 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.887 0.303 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.646 1.042 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.533 0.709 4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 18 96.366 2.870 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 18 96.189 3.025 4.724 1.00 0.00 H new ATOM 0 HE ARG A 18 94.025 1.362 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 18 92.018 2.230 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 18 91.913 3.883 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 18 95.354 4.455 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.785 5.132 6.852 1.00 0.00 H new ATOM 303 N VAL A 19 98.889 -0.935 5.801 1.00 0.00 N ATOM 304 CA VAL A 19 100.305 -0.845 6.253 1.00 0.00 C ATOM 305 C VAL A 19 100.567 0.547 6.831 1.00 0.00 C ATOM 306 O VAL A 19 100.110 1.543 6.307 1.00 0.00 O ATOM 307 CB VAL A 19 101.241 -1.083 5.068 1.00 0.00 C ATOM 308 CG1 VAL A 19 101.215 0.134 4.142 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.666 -1.300 5.582 1.00 0.00 C ATOM 0 H VAL A 19 98.727 -0.685 4.825 1.00 0.00 H new ATOM 0 HA VAL A 19 100.487 -1.601 7.017 1.00 0.00 H new ATOM 0 HB VAL A 19 100.912 -1.964 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 19 101.883 -0.037 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 100.200 0.291 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 19 101.543 1.016 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 19 103.335 -1.470 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.993 -0.418 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.687 -2.167 6.242 1.00 0.00 H new ATOM 319 N GLU A 20 101.303 0.625 7.903 1.00 0.00 N ATOM 320 CA GLU A 20 101.596 1.954 8.506 1.00 0.00 C ATOM 321 C GLU A 20 102.860 2.529 7.866 1.00 0.00 C ATOM 322 O GLU A 20 103.720 1.802 7.407 1.00 0.00 O ATOM 323 CB GLU A 20 101.810 1.800 10.013 1.00 0.00 C ATOM 324 CG GLU A 20 101.479 3.118 10.715 1.00 0.00 C ATOM 325 CD GLU A 20 101.547 2.922 12.230 1.00 0.00 C ATOM 326 OE1 GLU A 20 102.648 2.847 12.750 1.00 0.00 O ATOM 327 OE2 GLU A 20 100.496 2.849 12.846 1.00 0.00 O ATOM 0 H GLU A 20 101.714 -0.173 8.387 1.00 0.00 H new ATOM 0 HA GLU A 20 100.757 2.627 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.178 1.001 10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.843 1.517 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.181 3.893 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.484 3.456 10.426 1.00 0.00 H new ATOM 334 N LYS A 21 102.980 3.828 7.830 1.00 0.00 N ATOM 335 CA LYS A 21 104.188 4.449 7.217 1.00 0.00 C ATOM 336 C LYS A 21 105.431 3.653 7.616 1.00 0.00 C ATOM 337 O LYS A 21 106.456 3.715 6.966 1.00 0.00 O ATOM 338 CB LYS A 21 104.326 5.890 7.712 1.00 0.00 C ATOM 339 CG LYS A 21 105.284 6.655 6.795 1.00 0.00 C ATOM 340 CD LYS A 21 105.898 7.827 7.561 1.00 0.00 C ATOM 341 CE LYS A 21 106.443 8.855 6.568 1.00 0.00 C ATOM 342 NZ LYS A 21 107.520 9.654 7.219 1.00 0.00 N ATOM 0 H LYS A 21 102.293 4.486 8.199 1.00 0.00 H new ATOM 0 HA LYS A 21 104.087 4.444 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 21 103.351 6.377 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.700 5.900 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 21 106.070 5.990 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 21 104.750 7.020 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 21 105.148 8.288 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 21 106.699 7.472 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 106.834 8.351 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 21 105.641 9.512 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 107.890 10.353 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 107.133 10.146 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 108.289 9.021 7.519 1.00 0.00 H new ATOM 356 N PHE A 22 105.350 2.901 8.680 1.00 0.00 N ATOM 357 CA PHE A 22 106.528 2.099 9.119 1.00 0.00 C ATOM 358 C PHE A 22 106.062 0.969 10.039 1.00 0.00 C ATOM 359 O PHE A 22 106.765 0.563 10.942 1.00 0.00 O ATOM 360 CB PHE A 22 107.508 3.001 9.872 1.00 0.00 C ATOM 361 CG PHE A 22 108.901 2.428 9.768 1.00 0.00 C ATOM 362 CD1 PHE A 22 109.563 1.983 10.917 1.00 0.00 C ATOM 363 CD2 PHE A 22 109.531 2.345 8.519 1.00 0.00 C ATOM 364 CE1 PHE A 22 110.854 1.451 10.820 1.00 0.00 C ATOM 365 CE2 PHE A 22 110.823 1.813 8.422 1.00 0.00 C ATOM 366 CZ PHE A 22 111.484 1.367 9.573 1.00 0.00 C ATOM 0 H PHE A 22 104.519 2.807 9.264 1.00 0.00 H new ATOM 0 HA PHE A 22 107.024 1.674 8.246 1.00 0.00 H new ATOM 0 HB2 PHE A 22 107.485 4.008 9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.214 3.082 10.918 1.00 0.00 H new ATOM 0 HD1 PHE A 22 109.078 2.050 11.880 1.00 0.00 H new ATOM 0 HD2 PHE A 22 109.021 2.691 7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 22 111.364 1.105 11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 22 111.309 1.747 7.460 1.00 0.00 H new ATOM 0 HZ PHE A 22 112.481 0.958 9.498 1.00 0.00 H new ATOM 376 N ASP A 23 104.882 0.458 9.817 1.00 0.00 N ATOM 377 CA ASP A 23 104.374 -0.646 10.680 1.00 0.00 C ATOM 378 C ASP A 23 103.089 -1.216 10.077 1.00 0.00 C ATOM 379 O ASP A 23 103.029 -1.531 8.906 1.00 0.00 O ATOM 380 CB ASP A 23 104.089 -0.107 12.084 1.00 0.00 C ATOM 381 CG ASP A 23 104.153 -1.254 13.095 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.587 -1.011 14.209 1.00 0.00 O ATOM 383 OD2 ASP A 23 103.768 -2.354 12.737 1.00 0.00 O ATOM 0 H ASP A 23 104.248 0.757 9.076 1.00 0.00 H new ATOM 0 HA ASP A 23 105.124 -1.434 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.816 0.662 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.105 0.362 12.112 1.00 0.00 H new ATOM 388 N LEU A 24 102.059 -1.353 10.869 1.00 0.00 N ATOM 389 CA LEU A 24 100.781 -1.905 10.338 1.00 0.00 C ATOM 390 C LEU A 24 99.600 -1.207 11.017 1.00 0.00 C ATOM 391 O LEU A 24 99.664 -0.845 12.175 1.00 0.00 O ATOM 392 CB LEU A 24 100.715 -3.406 10.626 1.00 0.00 C ATOM 393 CG LEU A 24 99.540 -4.025 9.865 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.008 -4.472 8.478 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.009 -5.235 10.640 1.00 0.00 C ATOM 0 H LEU A 24 102.048 -1.107 11.859 1.00 0.00 H new ATOM 0 HA LEU A 24 100.734 -1.737 9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.647 -3.885 10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.598 -3.576 11.696 1.00 0.00 H new ATOM 0 HG LEU A 24 98.746 -3.285 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.171 -4.913 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.384 -3.611 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 24 100.802 -5.211 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 24 98.172 -5.676 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.802 -5.975 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.674 -4.916 11.627 1.00 0.00 H new ATOM 407 N VAL A 25 98.520 -1.018 10.305 1.00 0.00 N ATOM 408 CA VAL A 25 97.335 -0.347 10.909 1.00 0.00 C ATOM 409 C VAL A 25 96.089 -1.205 10.651 1.00 0.00 C ATOM 410 O VAL A 25 95.808 -1.568 9.526 1.00 0.00 O ATOM 411 CB VAL A 25 97.148 1.029 10.266 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.330 1.923 11.198 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.519 1.665 10.023 1.00 0.00 C ATOM 0 H VAL A 25 98.409 -1.300 9.331 1.00 0.00 H new ATOM 0 HA VAL A 25 97.485 -0.228 11.982 1.00 0.00 H new ATOM 0 HB VAL A 25 96.622 0.919 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.198 2.903 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.354 1.470 11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.854 2.035 12.147 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.389 2.646 9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.043 1.775 10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.103 1.028 9.358 1.00 0.00 H new ATOM 423 N PRO A 26 95.348 -1.534 11.681 1.00 0.00 N ATOM 424 CA PRO A 26 94.122 -2.369 11.547 1.00 0.00 C ATOM 425 C PRO A 26 92.943 -1.585 10.958 1.00 0.00 C ATOM 426 O PRO A 26 92.742 -0.427 11.264 1.00 0.00 O ATOM 427 CB PRO A 26 93.814 -2.795 12.983 1.00 0.00 C ATOM 428 CG PRO A 26 94.399 -1.726 13.845 1.00 0.00 C ATOM 429 CD PRO A 26 95.595 -1.149 13.082 1.00 0.00 C ATOM 0 HA PRO A 26 94.277 -3.206 10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 26 92.740 -2.886 13.144 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.254 -3.767 13.208 1.00 0.00 H new ATOM 0 HG2 PRO A 26 93.662 -0.950 14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 26 94.713 -2.133 14.806 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.654 -0.066 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.536 -1.559 13.448 1.00 0.00 H new ATOM 437 N VAL A 27 92.164 -2.211 10.120 1.00 0.00 N ATOM 438 CA VAL A 27 90.999 -1.506 9.513 1.00 0.00 C ATOM 439 C VAL A 27 89.710 -1.984 10.191 1.00 0.00 C ATOM 440 O VAL A 27 89.414 -3.162 10.205 1.00 0.00 O ATOM 441 CB VAL A 27 90.935 -1.827 8.017 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.638 -1.268 7.432 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.130 -1.187 7.309 1.00 0.00 C ATOM 0 H VAL A 27 92.283 -3.181 9.829 1.00 0.00 H new ATOM 0 HA VAL A 27 91.109 -0.430 9.651 1.00 0.00 H new ATOM 0 HB VAL A 27 90.962 -2.907 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.591 -1.496 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.786 -1.721 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.611 -0.188 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.086 -1.414 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.101 -0.107 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.055 -1.583 7.727 1.00 0.00 H new ATOM 453 N PRO A 28 88.943 -1.082 10.756 1.00 0.00 N ATOM 454 CA PRO A 28 87.669 -1.432 11.445 1.00 0.00 C ATOM 455 C PRO A 28 86.538 -1.732 10.457 1.00 0.00 C ATOM 456 O PRO A 28 86.603 -1.378 9.296 1.00 0.00 O ATOM 457 CB PRO A 28 87.346 -0.183 12.264 1.00 0.00 C ATOM 458 CG PRO A 28 87.988 0.947 11.528 1.00 0.00 C ATOM 459 CD PRO A 28 89.203 0.368 10.800 1.00 0.00 C ATOM 0 HA PRO A 28 87.769 -2.335 12.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.269 -0.036 12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.738 -0.265 13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.290 1.393 10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.290 1.735 12.218 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.302 0.785 9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.128 0.590 11.331 1.00 0.00 H new ATOM 467 N THR A 29 85.502 -2.385 10.908 1.00 0.00 N ATOM 468 CA THR A 29 84.369 -2.706 9.997 1.00 0.00 C ATOM 469 C THR A 29 83.714 -1.407 9.522 1.00 0.00 C ATOM 470 O THR A 29 83.096 -1.358 8.477 1.00 0.00 O ATOM 471 CB THR A 29 83.339 -3.554 10.748 1.00 0.00 C ATOM 472 OG1 THR A 29 83.372 -3.221 12.130 1.00 0.00 O ATOM 473 CG2 THR A 29 83.669 -5.038 10.572 1.00 0.00 C ATOM 0 H THR A 29 85.392 -2.710 11.869 1.00 0.00 H new ATOM 0 HA THR A 29 84.739 -3.262 9.135 1.00 0.00 H new ATOM 0 HB THR A 29 82.344 -3.356 10.348 1.00 0.00 H new ATOM 0 HG1 THR A 29 82.712 -3.761 12.613 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.935 -5.640 11.107 1.00 0.00 H new ATOM 0 HG22 THR A 29 83.644 -5.293 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 29 84.663 -5.239 10.971 1.00 0.00 H new ATOM 481 N ASN A 30 83.846 -0.353 10.280 1.00 0.00 N ATOM 482 CA ASN A 30 83.232 0.940 9.871 1.00 0.00 C ATOM 483 C ASN A 30 83.886 1.427 8.576 1.00 0.00 C ATOM 484 O ASN A 30 83.424 2.360 7.948 1.00 0.00 O ATOM 485 CB ASN A 30 83.447 1.979 10.974 1.00 0.00 C ATOM 486 CG ASN A 30 82.595 1.614 12.191 1.00 0.00 C ATOM 487 OD1 ASN A 30 81.409 1.381 12.069 1.00 0.00 O ATOM 488 ND2 ASN A 30 83.153 1.555 13.369 1.00 0.00 N ATOM 0 H ASN A 30 84.353 -0.332 11.165 1.00 0.00 H new ATOM 0 HA ASN A 30 82.163 0.800 9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 30 84.500 2.017 11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.177 2.971 10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 30 82.593 1.313 14.187 1.00 0.00 H new ATOM 0 HD22 ASN A 30 84.149 1.751 13.472 1.00 0.00 H new ATOM 495 N LEU A 31 84.961 0.804 8.173 1.00 0.00 N ATOM 496 CA LEU A 31 85.646 1.226 6.921 1.00 0.00 C ATOM 497 C LEU A 31 85.830 0.014 6.005 1.00 0.00 C ATOM 498 O LEU A 31 86.145 0.149 4.840 1.00 0.00 O ATOM 499 CB LEU A 31 87.015 1.822 7.264 1.00 0.00 C ATOM 500 CG LEU A 31 86.828 3.053 8.153 1.00 0.00 C ATOM 501 CD1 LEU A 31 88.197 3.600 8.561 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.059 4.129 7.380 1.00 0.00 C ATOM 0 H LEU A 31 85.394 0.019 8.660 1.00 0.00 H new ATOM 0 HA LEU A 31 85.041 1.976 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.628 1.080 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.543 2.097 6.351 1.00 0.00 H new ATOM 0 HG LEU A 31 86.267 2.775 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.064 4.477 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.745 2.835 9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.758 3.878 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.925 5.006 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.620 4.407 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.083 3.740 7.088 1.00 0.00 H new ATOM 514 N TYR A 32 85.634 -1.169 6.522 1.00 0.00 N ATOM 515 CA TYR A 32 85.794 -2.389 5.680 1.00 0.00 C ATOM 516 C TYR A 32 85.188 -2.135 4.298 1.00 0.00 C ATOM 517 O TYR A 32 84.075 -1.662 4.175 1.00 0.00 O ATOM 518 CB TYR A 32 85.077 -3.565 6.347 1.00 0.00 C ATOM 519 CG TYR A 32 84.880 -4.676 5.344 1.00 0.00 C ATOM 520 CD1 TYR A 32 83.830 -4.605 4.419 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.743 -5.777 5.340 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.647 -5.635 3.488 1.00 0.00 C ATOM 523 CE2 TYR A 32 85.560 -6.808 4.410 1.00 0.00 C ATOM 524 CZ TYR A 32 84.511 -6.737 3.485 1.00 0.00 C ATOM 525 OH TYR A 32 84.330 -7.752 2.570 1.00 0.00 O ATOM 0 H TYR A 32 85.370 -1.343 7.492 1.00 0.00 H new ATOM 0 HA TYR A 32 86.853 -2.624 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.660 -3.926 7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.113 -3.241 6.739 1.00 0.00 H new ATOM 0 HD1 TYR A 32 83.162 -3.756 4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 32 86.551 -5.832 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.840 -5.579 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 32 86.227 -7.657 4.406 1.00 0.00 H new ATOM 0 HH TYR A 32 84.596 -7.441 1.680 1.00 0.00 H new ATOM 535 N GLY A 33 85.912 -2.442 3.256 1.00 0.00 N ATOM 536 CA GLY A 33 85.377 -2.216 1.885 1.00 0.00 C ATOM 537 C GLY A 33 85.664 -0.777 1.454 1.00 0.00 C ATOM 538 O GLY A 33 85.096 -0.278 0.504 1.00 0.00 O ATOM 0 H GLY A 33 86.851 -2.839 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.835 -2.914 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.304 -2.405 1.867 1.00 0.00 H new ATOM 542 N ASP A 34 86.541 -0.104 2.149 1.00 0.00 N ATOM 543 CA ASP A 34 86.864 1.304 1.779 1.00 0.00 C ATOM 544 C ASP A 34 88.364 1.548 1.960 1.00 0.00 C ATOM 545 O ASP A 34 88.835 1.783 3.055 1.00 0.00 O ATOM 546 CB ASP A 34 86.078 2.260 2.678 1.00 0.00 C ATOM 547 CG ASP A 34 86.237 3.693 2.163 1.00 0.00 C ATOM 548 OD1 ASP A 34 87.153 3.925 1.391 1.00 0.00 O ATOM 549 OD2 ASP A 34 85.441 4.532 2.550 1.00 0.00 O ATOM 0 H ASP A 34 87.047 -0.468 2.956 1.00 0.00 H new ATOM 0 HA ASP A 34 86.592 1.478 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 34 85.024 1.981 2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.438 2.189 3.704 1.00 0.00 H new ATOM 554 N PHE A 35 89.117 1.495 0.896 1.00 0.00 N ATOM 555 CA PHE A 35 90.584 1.724 1.010 1.00 0.00 C ATOM 556 C PHE A 35 90.902 3.179 0.662 1.00 0.00 C ATOM 557 O PHE A 35 90.089 3.886 0.100 1.00 0.00 O ATOM 558 CB PHE A 35 91.322 0.795 0.043 1.00 0.00 C ATOM 559 CG PHE A 35 90.618 -0.540 -0.010 1.00 0.00 C ATOM 560 CD1 PHE A 35 90.205 -1.064 -1.242 1.00 0.00 C ATOM 561 CD2 PHE A 35 90.380 -1.254 1.170 1.00 0.00 C ATOM 562 CE1 PHE A 35 89.553 -2.302 -1.291 1.00 0.00 C ATOM 563 CE2 PHE A 35 89.729 -2.491 1.120 1.00 0.00 C ATOM 564 CZ PHE A 35 89.314 -3.016 -0.111 1.00 0.00 C ATOM 0 H PHE A 35 88.779 1.303 -0.047 1.00 0.00 H new ATOM 0 HA PHE A 35 90.906 1.516 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 35 91.355 1.240 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 35 92.354 0.661 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 35 90.389 -0.514 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 35 90.699 -0.850 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.234 -2.707 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 35 89.546 -3.042 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.810 -3.971 -0.149 1.00 0.00 H new ATOM 574 N PHE A 36 92.080 3.635 0.995 1.00 0.00 N ATOM 575 CA PHE A 36 92.451 5.044 0.684 1.00 0.00 C ATOM 576 C PHE A 36 93.423 5.066 -0.498 1.00 0.00 C ATOM 577 O PHE A 36 94.350 4.284 -0.567 1.00 0.00 O ATOM 578 CB PHE A 36 93.121 5.676 1.909 1.00 0.00 C ATOM 579 CG PHE A 36 92.823 7.157 1.942 1.00 0.00 C ATOM 580 CD1 PHE A 36 93.817 8.080 1.596 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.551 7.606 2.318 1.00 0.00 C ATOM 582 CE1 PHE A 36 93.541 9.451 1.628 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.276 8.978 2.350 1.00 0.00 C ATOM 584 CZ PHE A 36 92.269 9.901 2.005 1.00 0.00 C ATOM 0 H PHE A 36 92.801 3.091 1.469 1.00 0.00 H new ATOM 0 HA PHE A 36 91.555 5.609 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 36 92.757 5.201 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 36 94.198 5.512 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 36 94.797 7.733 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 36 90.783 6.894 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 94.309 10.163 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 36 90.296 9.325 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 36 92.055 10.959 2.029 1.00 0.00 H new ATOM 594 N THR A 37 93.220 5.958 -1.430 1.00 0.00 N ATOM 595 CA THR A 37 94.132 6.028 -2.606 1.00 0.00 C ATOM 596 C THR A 37 95.471 6.630 -2.178 1.00 0.00 C ATOM 597 O THR A 37 96.405 6.703 -2.950 1.00 0.00 O ATOM 598 CB THR A 37 93.501 6.909 -3.687 1.00 0.00 C ATOM 599 OG1 THR A 37 93.743 8.275 -3.382 1.00 0.00 O ATOM 600 CG2 THR A 37 91.994 6.655 -3.740 1.00 0.00 C ATOM 0 H THR A 37 92.462 6.641 -1.427 1.00 0.00 H new ATOM 0 HA THR A 37 94.294 5.025 -3.001 1.00 0.00 H new ATOM 0 HB THR A 37 93.941 6.669 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 37 92.942 8.802 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.546 7.283 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.810 5.607 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.550 6.894 -2.773 1.00 0.00 H new ATOM 608 N GLY A 38 95.571 7.063 -0.948 1.00 0.00 N ATOM 609 CA GLY A 38 96.850 7.662 -0.468 1.00 0.00 C ATOM 610 C GLY A 38 97.523 6.705 0.517 1.00 0.00 C ATOM 611 O GLY A 38 98.093 7.118 1.507 1.00 0.00 O ATOM 0 H GLY A 38 94.822 7.027 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.512 7.857 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.657 8.620 0.014 1.00 0.00 H new ATOM 615 N ASP A 39 97.462 5.428 0.256 1.00 0.00 N ATOM 616 CA ASP A 39 98.099 4.447 1.178 1.00 0.00 C ATOM 617 C ASP A 39 98.075 3.057 0.540 1.00 0.00 C ATOM 618 O ASP A 39 97.449 2.843 -0.479 1.00 0.00 O ATOM 619 CB ASP A 39 97.329 4.415 2.500 1.00 0.00 C ATOM 620 CG ASP A 39 98.260 3.958 3.624 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.961 2.980 3.424 1.00 0.00 O ATOM 622 OD2 ASP A 39 98.257 4.596 4.665 1.00 0.00 O ATOM 0 H ASP A 39 96.998 5.022 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 39 99.131 4.742 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.930 5.404 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.478 3.738 2.421 1.00 0.00 H new ATOM 627 N ALA A 40 98.752 2.109 1.132 1.00 0.00 N ATOM 628 CA ALA A 40 98.768 0.733 0.560 1.00 0.00 C ATOM 629 C ALA A 40 98.051 -0.226 1.513 1.00 0.00 C ATOM 630 O ALA A 40 98.250 -0.191 2.714 1.00 0.00 O ATOM 631 CB ALA A 40 100.217 0.276 0.368 1.00 0.00 C ATOM 0 H ALA A 40 99.295 2.229 1.987 1.00 0.00 H new ATOM 0 HA ALA A 40 98.258 0.735 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 40 100.229 -0.730 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.726 0.958 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.729 0.275 1.330 1.00 0.00 H new ATOM 637 N TYR A 41 97.221 -1.086 0.987 1.00 0.00 N ATOM 638 CA TYR A 41 96.490 -2.049 1.857 1.00 0.00 C ATOM 639 C TYR A 41 96.944 -3.471 1.531 1.00 0.00 C ATOM 640 O TYR A 41 97.188 -3.808 0.389 1.00 0.00 O ATOM 641 CB TYR A 41 94.986 -1.925 1.608 1.00 0.00 C ATOM 642 CG TYR A 41 94.493 -0.595 2.129 1.00 0.00 C ATOM 643 CD1 TYR A 41 93.681 -0.548 3.268 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.849 0.589 1.474 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.224 0.684 3.750 1.00 0.00 C ATOM 646 CE2 TYR A 41 94.392 1.821 1.956 1.00 0.00 C ATOM 647 CZ TYR A 41 93.579 1.869 3.095 1.00 0.00 C ATOM 648 OH TYR A 41 93.129 3.083 3.570 1.00 0.00 O ATOM 0 H TYR A 41 97.018 -1.163 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 41 96.703 -1.828 2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.776 -2.010 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.457 -2.739 2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 41 93.407 -1.462 3.775 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.477 0.552 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 41 92.597 0.720 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.666 2.735 1.449 1.00 0.00 H new ATOM 0 HH TYR A 41 92.149 3.095 3.562 1.00 0.00 H new ATOM 658 N VAL A 42 97.056 -4.310 2.523 1.00 0.00 N ATOM 659 CA VAL A 42 97.491 -5.710 2.272 1.00 0.00 C ATOM 660 C VAL A 42 96.332 -6.648 2.578 1.00 0.00 C ATOM 661 O VAL A 42 95.569 -6.422 3.499 1.00 0.00 O ATOM 662 CB VAL A 42 98.649 -6.057 3.198 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.627 -6.987 2.479 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.374 -4.775 3.616 1.00 0.00 C ATOM 0 H VAL A 42 96.864 -4.085 3.499 1.00 0.00 H new ATOM 0 HA VAL A 42 97.803 -5.813 1.233 1.00 0.00 H new ATOM 0 HB VAL A 42 98.261 -6.560 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.453 -7.232 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.112 -7.902 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 42 100.014 -6.490 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.202 -5.025 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.758 -4.269 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.678 -4.117 4.137 1.00 0.00 H new ATOM 674 N ILE A 43 96.193 -7.701 1.826 1.00 0.00 N ATOM 675 CA ILE A 43 95.078 -8.644 2.093 1.00 0.00 C ATOM 676 C ILE A 43 95.576 -10.086 1.999 1.00 0.00 C ATOM 677 O ILE A 43 96.509 -10.389 1.283 1.00 0.00 O ATOM 678 CB ILE A 43 93.958 -8.415 1.078 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.994 -6.966 0.576 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.619 -8.677 1.757 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.666 -6.006 1.724 1.00 0.00 C ATOM 0 H ILE A 43 96.799 -7.948 1.044 1.00 0.00 H new ATOM 0 HA ILE A 43 94.696 -8.468 3.098 1.00 0.00 H new ATOM 0 HB ILE A 43 94.091 -9.089 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.979 -6.737 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.277 -6.835 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.811 -8.517 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.588 -9.706 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.499 -7.996 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.694 -4.979 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.671 -6.227 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.400 -6.128 2.521 1.00 0.00 H new ATOM 693 N LEU A 44 94.954 -10.976 2.724 1.00 0.00 N ATOM 694 CA LEU A 44 95.382 -12.403 2.685 1.00 0.00 C ATOM 695 C LEU A 44 94.146 -13.296 2.580 1.00 0.00 C ATOM 696 O LEU A 44 93.274 -13.265 3.425 1.00 0.00 O ATOM 697 CB LEU A 44 96.151 -12.741 3.964 1.00 0.00 C ATOM 698 CG LEU A 44 96.989 -14.002 3.744 1.00 0.00 C ATOM 699 CD1 LEU A 44 97.882 -14.241 4.964 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.063 -15.206 3.547 1.00 0.00 C ATOM 0 H LEU A 44 94.167 -10.776 3.342 1.00 0.00 H new ATOM 0 HA LEU A 44 96.027 -12.569 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.796 -11.908 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.455 -12.895 4.789 1.00 0.00 H new ATOM 0 HG LEU A 44 97.610 -13.873 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.479 -15.139 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.543 -13.386 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.261 -14.368 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.661 -16.103 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.440 -15.335 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.427 -15.038 2.678 1.00 0.00 H new ATOM 712 N LYS A 45 94.060 -14.091 1.549 1.00 0.00 N ATOM 713 CA LYS A 45 92.877 -14.984 1.392 1.00 0.00 C ATOM 714 C LYS A 45 93.279 -16.419 1.737 1.00 0.00 C ATOM 715 O LYS A 45 94.056 -17.041 1.041 1.00 0.00 O ATOM 716 CB LYS A 45 92.376 -14.918 -0.053 1.00 0.00 C ATOM 717 CG LYS A 45 91.493 -16.133 -0.350 1.00 0.00 C ATOM 718 CD LYS A 45 90.641 -15.855 -1.590 1.00 0.00 C ATOM 719 CE LYS A 45 90.142 -17.178 -2.174 1.00 0.00 C ATOM 720 NZ LYS A 45 88.932 -16.927 -3.008 1.00 0.00 N ATOM 0 H LYS A 45 94.758 -14.161 0.808 1.00 0.00 H new ATOM 0 HA LYS A 45 92.080 -14.661 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.811 -13.999 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.222 -14.894 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 45 92.113 -17.015 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.851 -16.347 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.795 -15.219 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 45 91.227 -15.315 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 45 90.924 -17.639 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 89.905 -17.876 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 88.592 -17.826 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 88.186 -16.505 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 89.173 -16.275 -3.782 1.00 0.00 H new ATOM 734 N THR A 46 92.757 -16.945 2.812 1.00 0.00 N ATOM 735 CA THR A 46 93.109 -18.338 3.211 1.00 0.00 C ATOM 736 C THR A 46 91.844 -19.195 3.240 1.00 0.00 C ATOM 737 O THR A 46 90.820 -18.783 3.749 1.00 0.00 O ATOM 738 CB THR A 46 93.744 -18.320 4.604 1.00 0.00 C ATOM 739 OG1 THR A 46 94.839 -17.415 4.612 1.00 0.00 O ATOM 740 CG2 THR A 46 94.239 -19.724 4.963 1.00 0.00 C ATOM 0 H THR A 46 92.101 -16.470 3.432 1.00 0.00 H new ATOM 0 HA THR A 46 93.814 -18.756 2.493 1.00 0.00 H new ATOM 0 HB THR A 46 93.002 -18.001 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.246 -17.401 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.690 -19.708 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.399 -20.418 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.981 -20.046 4.232 1.00 0.00 H new ATOM 748 N VAL A 47 91.904 -20.386 2.701 1.00 0.00 N ATOM 749 CA VAL A 47 90.705 -21.263 2.702 1.00 0.00 C ATOM 750 C VAL A 47 91.081 -22.614 3.304 1.00 0.00 C ATOM 751 O VAL A 47 92.238 -22.916 3.490 1.00 0.00 O ATOM 752 CB VAL A 47 90.223 -21.468 1.271 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.696 -21.556 1.245 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.683 -20.295 0.402 1.00 0.00 C ATOM 0 H VAL A 47 92.733 -20.785 2.261 1.00 0.00 H new ATOM 0 HA VAL A 47 89.911 -20.801 3.289 1.00 0.00 H new ATOM 0 HB VAL A 47 90.642 -22.396 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.357 -21.703 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.369 -22.396 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.272 -20.632 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.338 -20.443 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.268 -19.367 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.772 -20.239 0.413 1.00 0.00 H new ATOM 764 N GLN A 48 90.109 -23.425 3.600 1.00 0.00 N ATOM 765 CA GLN A 48 90.404 -24.762 4.188 1.00 0.00 C ATOM 766 C GLN A 48 90.161 -25.845 3.136 1.00 0.00 C ATOM 767 O GLN A 48 89.045 -26.267 2.910 1.00 0.00 O ATOM 768 CB GLN A 48 89.487 -25.001 5.389 1.00 0.00 C ATOM 769 CG GLN A 48 89.742 -26.398 5.961 1.00 0.00 C ATOM 770 CD GLN A 48 91.207 -26.517 6.386 1.00 0.00 C ATOM 771 OE1 GLN A 48 91.596 -25.998 7.413 1.00 0.00 O ATOM 772 NE2 GLN A 48 92.039 -27.184 5.634 1.00 0.00 N ATOM 0 H GLN A 48 89.119 -23.222 3.461 1.00 0.00 H new ATOM 0 HA GLN A 48 91.444 -24.798 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.668 -24.246 6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.444 -24.905 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.089 -26.577 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 48 89.506 -27.157 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 48 91.711 -27.619 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 48 93.018 -27.270 5.908 1.00 0.00 H new ATOM 781 N LEU A 49 91.202 -26.301 2.492 1.00 0.00 N ATOM 782 CA LEU A 49 91.032 -27.358 1.457 1.00 0.00 C ATOM 783 C LEU A 49 90.536 -28.641 2.124 1.00 0.00 C ATOM 784 O LEU A 49 90.715 -28.845 3.307 1.00 0.00 O ATOM 785 CB LEU A 49 92.376 -27.626 0.778 1.00 0.00 C ATOM 786 CG LEU A 49 92.926 -26.323 0.193 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.451 -26.396 0.127 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.364 -26.122 -1.217 1.00 0.00 C ATOM 0 H LEU A 49 92.161 -25.987 2.639 1.00 0.00 H new ATOM 0 HA LEU A 49 90.308 -27.028 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 49 93.082 -28.040 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.254 -28.368 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 49 92.630 -25.487 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.842 -25.468 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.852 -26.541 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.748 -27.232 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.755 -25.194 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.661 -26.959 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.276 -26.070 -1.171 1.00 0.00 H new ATOM 800 N ARG A 50 89.917 -29.513 1.375 1.00 0.00 N ATOM 801 CA ARG A 50 89.415 -30.783 1.972 1.00 0.00 C ATOM 802 C ARG A 50 90.554 -31.461 2.738 1.00 0.00 C ATOM 803 O ARG A 50 91.243 -32.314 2.217 1.00 0.00 O ATOM 804 CB ARG A 50 88.923 -31.712 0.860 1.00 0.00 C ATOM 805 CG ARG A 50 87.456 -31.404 0.546 1.00 0.00 C ATOM 806 CD ARG A 50 86.567 -31.860 1.708 1.00 0.00 C ATOM 807 NE ARG A 50 86.266 -30.697 2.590 1.00 0.00 N ATOM 808 CZ ARG A 50 85.723 -30.889 3.760 1.00 0.00 C ATOM 809 NH1 ARG A 50 85.461 -29.871 4.533 1.00 0.00 N ATOM 810 NH2 ARG A 50 85.443 -32.101 4.157 1.00 0.00 N ATOM 0 H ARG A 50 89.738 -29.401 0.377 1.00 0.00 H new ATOM 0 HA ARG A 50 88.591 -30.568 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.532 -31.580 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 50 89.029 -32.752 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 50 87.328 -30.335 0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.158 -31.910 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 50 85.641 -32.289 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 50 87.068 -32.642 2.278 1.00 0.00 H new ATOM 0 HE ARG A 50 86.485 -29.751 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 50 85.681 -28.925 4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 50 85.036 -30.021 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 50 85.649 -32.896 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 50 85.018 -32.253 5.072 1.00 0.00 H new ATOM 824 N ASN A 51 90.762 -31.082 3.971 1.00 0.00 N ATOM 825 CA ASN A 51 91.860 -31.701 4.762 1.00 0.00 C ATOM 826 C ASN A 51 93.160 -31.630 3.959 1.00 0.00 C ATOM 827 O ASN A 51 93.913 -32.581 3.892 1.00 0.00 O ATOM 828 CB ASN A 51 91.519 -33.163 5.054 1.00 0.00 C ATOM 829 CG ASN A 51 90.060 -33.270 5.501 1.00 0.00 C ATOM 830 OD1 ASN A 51 89.487 -32.309 5.975 1.00 0.00 O ATOM 831 ND2 ASN A 51 89.431 -34.405 5.369 1.00 0.00 N ATOM 0 H ASN A 51 90.219 -30.372 4.462 1.00 0.00 H new ATOM 0 HA ASN A 51 91.981 -31.164 5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 51 91.683 -33.770 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.177 -33.552 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 51 88.458 -34.486 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 51 89.912 -35.212 4.971 1.00 0.00 H new ATOM 838 N GLY A 52 93.424 -30.509 3.342 1.00 0.00 N ATOM 839 CA GLY A 52 94.672 -30.378 2.537 1.00 0.00 C ATOM 840 C GLY A 52 95.751 -29.678 3.363 1.00 0.00 C ATOM 841 O GLY A 52 96.635 -30.310 3.908 1.00 0.00 O ATOM 0 H GLY A 52 92.830 -29.680 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 52 95.021 -31.363 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 52 94.471 -29.810 1.628 1.00 0.00 H new ATOM 845 N ASN A 53 95.695 -28.376 3.459 1.00 0.00 N ATOM 846 CA ASN A 53 96.728 -27.646 4.247 1.00 0.00 C ATOM 847 C ASN A 53 96.373 -26.164 4.322 1.00 0.00 C ATOM 848 O ASN A 53 97.228 -25.314 4.472 1.00 0.00 O ATOM 849 CB ASN A 53 98.081 -27.808 3.559 1.00 0.00 C ATOM 850 CG ASN A 53 99.135 -28.254 4.576 1.00 0.00 C ATOM 851 OD1 ASN A 53 99.166 -29.403 4.972 1.00 0.00 O ATOM 852 ND2 ASN A 53 100.003 -27.387 5.021 1.00 0.00 N ATOM 0 H ASN A 53 94.981 -27.789 3.027 1.00 0.00 H new ATOM 0 HA ASN A 53 96.771 -28.054 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 53 98.005 -28.542 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 53 98.381 -26.865 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 53 100.707 -27.673 5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 53 99.977 -26.423 4.689 1.00 0.00 H new ATOM 859 N LEU A 54 95.120 -25.853 4.215 1.00 0.00 N ATOM 860 CA LEU A 54 94.688 -24.440 4.276 1.00 0.00 C ATOM 861 C LEU A 54 95.384 -23.657 3.169 1.00 0.00 C ATOM 862 O LEU A 54 96.566 -23.381 3.229 1.00 0.00 O ATOM 863 CB LEU A 54 95.039 -23.861 5.643 1.00 0.00 C ATOM 864 CG LEU A 54 93.869 -24.099 6.602 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.395 -24.210 8.034 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.880 -22.931 6.508 1.00 0.00 C ATOM 0 H LEU A 54 94.366 -26.528 4.086 1.00 0.00 H new ATOM 0 HA LEU A 54 93.609 -24.371 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.944 -24.330 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.245 -22.794 5.558 1.00 0.00 H new ATOM 0 HG LEU A 54 93.362 -25.024 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.561 -24.379 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.094 -25.044 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.905 -23.286 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.048 -23.103 7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.386 -22.004 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.502 -22.855 5.488 1.00 0.00 H new ATOM 878 N GLN A 55 94.654 -23.305 2.151 1.00 0.00 N ATOM 879 CA GLN A 55 95.261 -22.547 1.021 1.00 0.00 C ATOM 880 C GLN A 55 95.630 -21.141 1.490 1.00 0.00 C ATOM 881 O GLN A 55 94.972 -20.569 2.334 1.00 0.00 O ATOM 882 CB GLN A 55 94.255 -22.451 -0.128 1.00 0.00 C ATOM 883 CG GLN A 55 94.753 -21.440 -1.162 1.00 0.00 C ATOM 884 CD GLN A 55 93.983 -21.624 -2.470 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.774 -21.504 -2.499 1.00 0.00 O ATOM 886 NE2 GLN A 55 94.636 -21.914 -3.562 1.00 0.00 N ATOM 0 H GLN A 55 93.660 -23.509 2.051 1.00 0.00 H new ATOM 0 HA GLN A 55 96.158 -23.064 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.125 -23.428 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.280 -22.147 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.618 -20.425 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.821 -21.576 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 55 95.651 -22.015 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 55 94.132 -22.040 -4.440 1.00 0.00 H new ATOM 895 N TYR A 56 96.680 -20.581 0.947 1.00 0.00 N ATOM 896 CA TYR A 56 97.097 -19.210 1.361 1.00 0.00 C ATOM 897 C TYR A 56 97.309 -18.344 0.119 1.00 0.00 C ATOM 898 O TYR A 56 98.204 -18.578 -0.669 1.00 0.00 O ATOM 899 CB TYR A 56 98.409 -19.286 2.147 1.00 0.00 C ATOM 900 CG TYR A 56 98.212 -20.110 3.397 1.00 0.00 C ATOM 901 CD1 TYR A 56 98.562 -21.466 3.402 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.688 -19.518 4.552 1.00 0.00 C ATOM 903 CE1 TYR A 56 98.386 -22.230 4.564 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.511 -20.281 5.711 1.00 0.00 C ATOM 905 CZ TYR A 56 97.860 -21.637 5.718 1.00 0.00 C ATOM 906 OH TYR A 56 97.686 -22.390 6.861 1.00 0.00 O ATOM 0 H TYR A 56 97.266 -21.015 0.234 1.00 0.00 H new ATOM 0 HA TYR A 56 96.319 -18.773 1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 56 99.189 -19.729 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.743 -18.283 2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 56 98.967 -21.923 2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.420 -18.472 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 56 98.656 -23.276 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.105 -19.824 6.601 1.00 0.00 H new ATOM 0 HH TYR A 56 97.312 -21.826 7.570 1.00 0.00 H new ATOM 916 N ASP A 57 96.503 -17.334 -0.052 1.00 0.00 N ATOM 917 CA ASP A 57 96.660 -16.435 -1.229 1.00 0.00 C ATOM 918 C ASP A 57 96.845 -15.005 -0.719 1.00 0.00 C ATOM 919 O ASP A 57 96.433 -14.676 0.376 1.00 0.00 O ATOM 920 CB ASP A 57 95.409 -16.518 -2.110 1.00 0.00 C ATOM 921 CG ASP A 57 95.352 -15.305 -3.040 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.266 -14.198 -2.533 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.394 -15.502 -4.243 1.00 0.00 O ATOM 0 H ASP A 57 95.738 -17.091 0.577 1.00 0.00 H new ATOM 0 HA ASP A 57 97.525 -16.734 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 57 95.425 -17.437 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.515 -16.553 -1.487 1.00 0.00 H new ATOM 928 N LEU A 58 97.476 -14.155 -1.482 1.00 0.00 N ATOM 929 CA LEU A 58 97.690 -12.760 -1.004 1.00 0.00 C ATOM 930 C LEU A 58 97.320 -11.751 -2.093 1.00 0.00 C ATOM 931 O LEU A 58 97.437 -12.010 -3.275 1.00 0.00 O ATOM 932 CB LEU A 58 99.161 -12.575 -0.623 1.00 0.00 C ATOM 933 CG LEU A 58 99.636 -13.782 0.196 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.255 -14.824 -0.739 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.684 -13.327 1.214 1.00 0.00 C ATOM 0 H LEU A 58 97.850 -14.363 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 58 97.053 -12.587 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.769 -12.470 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.285 -11.659 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 58 98.786 -14.222 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.592 -15.681 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.510 -15.149 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.104 -14.384 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.022 -14.184 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.533 -12.887 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.245 -12.585 1.881 1.00 0.00 H new ATOM 947 N HIS A 59 96.883 -10.591 -1.693 1.00 0.00 N ATOM 948 CA HIS A 59 96.513 -9.543 -2.682 1.00 0.00 C ATOM 949 C HIS A 59 96.953 -8.186 -2.135 1.00 0.00 C ATOM 950 O HIS A 59 96.481 -7.742 -1.108 1.00 0.00 O ATOM 951 CB HIS A 59 94.993 -9.544 -2.894 1.00 0.00 C ATOM 952 CG HIS A 59 94.403 -10.825 -2.368 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.584 -11.636 -3.141 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.495 -11.444 -1.145 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.220 -12.687 -2.384 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.749 -12.616 -1.161 1.00 0.00 N ATOM 0 H HIS A 59 96.765 -10.322 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 59 97.002 -9.740 -3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.545 -8.691 -2.384 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.765 -9.437 -3.954 1.00 0.00 H new ATOM 0 HD1 HIS A 59 93.308 -11.466 -4.108 1.00 0.00 H new ATOM 0 HD2 HIS A 59 95.060 -11.076 -0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.580 -13.488 -2.724 1.00 0.00 H new ATOM 964 N TYR A 60 97.856 -7.520 -2.804 1.00 0.00 N ATOM 965 CA TYR A 60 98.312 -6.191 -2.297 1.00 0.00 C ATOM 966 C TYR A 60 97.672 -5.080 -3.129 1.00 0.00 C ATOM 967 O TYR A 60 97.825 -5.023 -4.333 1.00 0.00 O ATOM 968 CB TYR A 60 99.840 -6.088 -2.373 1.00 0.00 C ATOM 969 CG TYR A 60 100.358 -6.801 -3.599 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.230 -8.191 -3.715 1.00 0.00 C ATOM 971 CD2 TYR A 60 100.979 -6.068 -4.619 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.722 -8.846 -4.850 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.469 -6.724 -5.752 1.00 0.00 C ATOM 974 CZ TYR A 60 101.343 -8.113 -5.869 1.00 0.00 C ATOM 975 OH TYR A 60 101.828 -8.760 -6.987 1.00 0.00 O ATOM 0 H TYR A 60 98.294 -7.833 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 60 98.008 -6.084 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.139 -5.040 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.285 -6.522 -1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 60 99.752 -8.757 -2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.079 -4.996 -4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.623 -9.918 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 60 101.946 -6.158 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 60 102.227 -8.105 -7.597 1.00 0.00 H new ATOM 985 N TRP A 61 96.946 -4.198 -2.494 1.00 0.00 N ATOM 986 CA TRP A 61 96.283 -3.094 -3.245 1.00 0.00 C ATOM 987 C TRP A 61 97.118 -1.817 -3.130 1.00 0.00 C ATOM 988 O TRP A 61 97.597 -1.470 -2.069 1.00 0.00 O ATOM 989 CB TRP A 61 94.892 -2.848 -2.659 1.00 0.00 C ATOM 990 CG TRP A 61 94.122 -1.931 -3.557 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.326 -2.331 -4.575 1.00 0.00 C ATOM 992 CD2 TRP A 61 94.059 -0.476 -3.536 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.776 -1.214 -5.179 1.00 0.00 N ATOM 994 CE2 TRP A 61 93.199 -0.046 -4.574 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.657 0.504 -2.724 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.942 1.306 -4.799 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.402 1.867 -2.947 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.546 2.267 -3.983 1.00 0.00 C ATOM 0 H TRP A 61 96.784 -4.195 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 61 96.195 -3.372 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.361 -3.794 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.978 -2.411 -1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 61 93.149 -3.355 -4.869 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.137 -1.249 -5.973 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.317 0.206 -1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.281 1.608 -5.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.868 2.611 -2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.354 3.316 -4.150 1.00 0.00 H new ATOM 1009 N LEU A 62 97.291 -1.114 -4.217 1.00 0.00 N ATOM 1010 CA LEU A 62 98.090 0.145 -4.178 1.00 0.00 C ATOM 1011 C LEU A 62 97.190 1.329 -4.534 1.00 0.00 C ATOM 1012 O LEU A 62 96.152 1.170 -5.146 1.00 0.00 O ATOM 1013 CB LEU A 62 99.239 0.055 -5.186 1.00 0.00 C ATOM 1014 CG LEU A 62 99.796 -1.373 -5.200 1.00 0.00 C ATOM 1015 CD1 LEU A 62 99.023 -2.216 -6.219 1.00 0.00 C ATOM 1016 CD2 LEU A 62 101.277 -1.339 -5.586 1.00 0.00 C ATOM 0 H LEU A 62 96.913 -1.358 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 62 98.498 0.285 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.887 0.329 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 62 100.026 0.761 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 62 99.687 -1.813 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 62 99.420 -3.231 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 62 97.968 -2.241 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 62 99.130 -1.776 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 62 101.674 -2.354 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.385 -0.897 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 62 101.828 -0.741 -4.860 1.00 0.00 H new ATOM 1028 N GLY A 63 97.577 2.517 -4.156 1.00 0.00 N ATOM 1029 CA GLY A 63 96.740 3.709 -4.473 1.00 0.00 C ATOM 1030 C GLY A 63 97.329 4.446 -5.677 1.00 0.00 C ATOM 1031 O GLY A 63 98.526 4.458 -5.887 1.00 0.00 O ATOM 0 H GLY A 63 98.436 2.713 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.717 3.400 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.698 4.375 -3.611 1.00 0.00 H new ATOM 1035 N ASN A 64 96.497 5.065 -6.469 1.00 0.00 N ATOM 1036 CA ASN A 64 97.006 5.803 -7.659 1.00 0.00 C ATOM 1037 C ASN A 64 97.756 7.054 -7.201 1.00 0.00 C ATOM 1038 O ASN A 64 98.451 7.690 -7.968 1.00 0.00 O ATOM 1039 CB ASN A 64 95.831 6.208 -8.554 1.00 0.00 C ATOM 1040 CG ASN A 64 95.048 7.339 -7.886 1.00 0.00 C ATOM 1041 OD1 ASN A 64 95.218 8.494 -8.225 1.00 0.00 O ATOM 1042 ND2 ASN A 64 94.190 7.056 -6.944 1.00 0.00 N ATOM 0 H ASN A 64 95.485 5.091 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 64 97.683 5.160 -8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 64 96.197 6.531 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.179 5.352 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 64 93.663 7.804 -6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 64 94.047 6.087 -6.659 1.00 0.00 H new ATOM 1049 N GLU A 65 97.626 7.405 -5.951 1.00 0.00 N ATOM 1050 CA GLU A 65 98.335 8.603 -5.433 1.00 0.00 C ATOM 1051 C GLU A 65 99.490 8.132 -4.557 1.00 0.00 C ATOM 1052 O GLU A 65 99.875 8.778 -3.604 1.00 0.00 O ATOM 1053 CB GLU A 65 97.369 9.456 -4.605 1.00 0.00 C ATOM 1054 CG GLU A 65 95.932 9.153 -5.034 1.00 0.00 C ATOM 1055 CD GLU A 65 94.995 10.219 -4.467 1.00 0.00 C ATOM 1056 OE1 GLU A 65 94.935 10.347 -3.256 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.352 10.895 -5.256 1.00 0.00 O ATOM 0 H GLU A 65 97.056 6.910 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 65 98.713 9.205 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.496 9.243 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.587 10.514 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.862 9.134 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.635 8.166 -4.678 1.00 0.00 H new ATOM 1064 N CYS A 66 100.042 7.000 -4.886 1.00 0.00 N ATOM 1065 CA CYS A 66 101.167 6.455 -4.103 1.00 0.00 C ATOM 1066 C CYS A 66 102.282 6.068 -5.064 1.00 0.00 C ATOM 1067 O CYS A 66 102.282 5.009 -5.660 1.00 0.00 O ATOM 1068 CB CYS A 66 100.702 5.227 -3.339 1.00 0.00 C ATOM 1069 SG CYS A 66 100.234 5.701 -1.656 1.00 0.00 S ATOM 0 H CYS A 66 99.752 6.425 -5.677 1.00 0.00 H new ATOM 0 HA CYS A 66 101.528 7.200 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.854 4.769 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.497 4.482 -3.310 1.00 0.00 H new ATOM 0 HG CYS A 66 99.834 4.650 -1.004 1.00 0.00 H new ATOM 1075 N SER A 67 103.218 6.932 -5.204 1.00 0.00 N ATOM 1076 CA SER A 67 104.366 6.676 -6.118 1.00 0.00 C ATOM 1077 C SER A 67 105.001 5.323 -5.786 1.00 0.00 C ATOM 1078 O SER A 67 104.474 4.553 -5.007 1.00 0.00 O ATOM 1079 CB SER A 67 105.408 7.783 -5.947 1.00 0.00 C ATOM 1080 OG SER A 67 105.967 7.703 -4.642 1.00 0.00 O ATOM 0 H SER A 67 103.250 7.829 -4.719 1.00 0.00 H new ATOM 0 HA SER A 67 104.010 6.663 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.191 7.680 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 67 104.947 8.759 -6.099 1.00 0.00 H new ATOM 0 HG SER A 67 106.636 8.410 -4.529 1.00 0.00 H new ATOM 1086 N GLN A 68 106.129 5.030 -6.372 1.00 0.00 N ATOM 1087 CA GLN A 68 106.800 3.728 -6.096 1.00 0.00 C ATOM 1088 C GLN A 68 107.228 3.674 -4.628 1.00 0.00 C ATOM 1089 O GLN A 68 107.499 2.617 -4.091 1.00 0.00 O ATOM 1090 CB GLN A 68 108.032 3.589 -6.992 1.00 0.00 C ATOM 1091 CG GLN A 68 108.796 2.316 -6.619 1.00 0.00 C ATOM 1092 CD GLN A 68 109.934 2.091 -7.617 1.00 0.00 C ATOM 1093 OE1 GLN A 68 109.731 2.154 -8.812 1.00 0.00 O ATOM 1094 NE2 GLN A 68 111.133 1.833 -7.171 1.00 0.00 N ATOM 0 H GLN A 68 106.616 5.637 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 68 106.107 2.912 -6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.731 3.551 -8.039 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.678 4.460 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 68 109.196 2.402 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 68 108.121 1.460 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 68 111.303 1.780 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 68 111.900 1.684 -7.827 1.00 0.00 H new ATOM 1103 N ASP A 69 107.296 4.801 -3.974 1.00 0.00 N ATOM 1104 CA ASP A 69 107.709 4.806 -2.542 1.00 0.00 C ATOM 1105 C ASP A 69 106.685 4.032 -1.714 1.00 0.00 C ATOM 1106 O ASP A 69 107.007 3.059 -1.060 1.00 0.00 O ATOM 1107 CB ASP A 69 107.791 6.247 -2.036 1.00 0.00 C ATOM 1108 CG ASP A 69 107.928 6.248 -0.513 1.00 0.00 C ATOM 1109 OD1 ASP A 69 108.933 5.754 -0.028 1.00 0.00 O ATOM 1110 OD2 ASP A 69 107.026 6.743 0.142 1.00 0.00 O ATOM 0 H ASP A 69 107.084 5.717 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 69 108.687 4.333 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.643 6.754 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 69 106.898 6.798 -2.331 1.00 0.00 H new ATOM 1115 N GLU A 70 105.454 4.452 -1.743 1.00 0.00 N ATOM 1116 CA GLU A 70 104.406 3.738 -0.963 1.00 0.00 C ATOM 1117 C GLU A 70 104.181 2.358 -1.583 1.00 0.00 C ATOM 1118 O GLU A 70 104.009 1.374 -0.891 1.00 0.00 O ATOM 1119 CB GLU A 70 103.102 4.542 -1.000 1.00 0.00 C ATOM 1120 CG GLU A 70 102.983 5.391 0.269 1.00 0.00 C ATOM 1121 CD GLU A 70 102.645 4.489 1.457 1.00 0.00 C ATOM 1122 OE1 GLU A 70 103.347 4.563 2.452 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.689 3.737 1.351 1.00 0.00 O ATOM 0 H GLU A 70 105.126 5.259 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 70 104.726 3.627 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.084 5.183 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.250 3.867 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.918 5.920 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.209 6.148 0.142 1.00 0.00 H new ATOM 1130 N SER A 71 104.195 2.282 -2.883 1.00 0.00 N ATOM 1131 CA SER A 71 103.993 0.969 -3.555 1.00 0.00 C ATOM 1132 C SER A 71 105.255 0.122 -3.386 1.00 0.00 C ATOM 1133 O SER A 71 105.224 -1.086 -3.499 1.00 0.00 O ATOM 1134 CB SER A 71 103.722 1.193 -5.043 1.00 0.00 C ATOM 1135 OG SER A 71 104.237 0.094 -5.784 1.00 0.00 O ATOM 0 H SER A 71 104.338 3.073 -3.511 1.00 0.00 H new ATOM 0 HA SER A 71 103.142 0.454 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.651 1.295 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.189 2.121 -5.374 1.00 0.00 H new ATOM 0 HG SER A 71 104.064 0.233 -6.738 1.00 0.00 H new ATOM 1141 N GLY A 72 106.367 0.750 -3.114 1.00 0.00 N ATOM 1142 CA GLY A 72 107.631 -0.016 -2.935 1.00 0.00 C ATOM 1143 C GLY A 72 107.617 -0.701 -1.568 1.00 0.00 C ATOM 1144 O GLY A 72 108.019 -1.840 -1.430 1.00 0.00 O ATOM 0 H GLY A 72 106.453 1.761 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.735 -0.759 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.489 0.652 -3.011 1.00 0.00 H new ATOM 1148 N ALA A 73 107.151 -0.020 -0.558 1.00 0.00 N ATOM 1149 CA ALA A 73 107.105 -0.636 0.798 1.00 0.00 C ATOM 1150 C ALA A 73 106.031 -1.721 0.821 1.00 0.00 C ATOM 1151 O ALA A 73 106.223 -2.791 1.367 1.00 0.00 O ATOM 1152 CB ALA A 73 106.772 0.437 1.836 1.00 0.00 C ATOM 0 H ALA A 73 106.800 0.936 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 73 108.074 -1.076 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.738 -0.014 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.538 1.213 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.802 0.878 1.605 1.00 0.00 H new ATOM 1158 N ALA A 74 104.902 -1.456 0.229 1.00 0.00 N ATOM 1159 CA ALA A 74 103.812 -2.471 0.211 1.00 0.00 C ATOM 1160 C ALA A 74 104.294 -3.717 -0.535 1.00 0.00 C ATOM 1161 O ALA A 74 104.048 -4.833 -0.123 1.00 0.00 O ATOM 1162 CB ALA A 74 102.588 -1.893 -0.502 1.00 0.00 C ATOM 0 H ALA A 74 104.686 -0.579 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 74 103.544 -2.737 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.790 -2.636 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.246 -1.003 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.854 -1.628 -1.525 1.00 0.00 H new ATOM 1168 N ALA A 75 104.981 -3.534 -1.631 1.00 0.00 N ATOM 1169 CA ALA A 75 105.481 -4.709 -2.400 1.00 0.00 C ATOM 1170 C ALA A 75 106.504 -5.469 -1.554 1.00 0.00 C ATOM 1171 O ALA A 75 106.443 -6.675 -1.425 1.00 0.00 O ATOM 1172 CB ALA A 75 106.143 -4.229 -3.692 1.00 0.00 C ATOM 0 H ALA A 75 105.217 -2.624 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 75 104.647 -5.368 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.509 -5.088 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.415 -3.685 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.978 -3.571 -3.450 1.00 0.00 H new ATOM 1178 N ILE A 76 107.441 -4.771 -0.974 1.00 0.00 N ATOM 1179 CA ILE A 76 108.465 -5.453 -0.135 1.00 0.00 C ATOM 1180 C ILE A 76 107.763 -6.323 0.909 1.00 0.00 C ATOM 1181 O ILE A 76 108.215 -7.403 1.235 1.00 0.00 O ATOM 1182 CB ILE A 76 109.325 -4.403 0.570 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.251 -3.735 -0.451 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.167 -5.077 1.655 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.731 -2.390 0.097 1.00 0.00 C ATOM 0 H ILE A 76 107.542 -3.758 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 76 109.099 -6.078 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 76 108.680 -3.651 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.105 -4.380 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.724 -3.588 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.780 -4.329 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.510 -5.555 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.812 -5.829 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.390 -1.915 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.872 -1.746 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.274 -2.550 1.029 1.00 0.00 H new ATOM 1197 N PHE A 77 106.661 -5.862 1.434 1.00 0.00 N ATOM 1198 CA PHE A 77 105.930 -6.664 2.455 1.00 0.00 C ATOM 1199 C PHE A 77 105.335 -7.908 1.790 1.00 0.00 C ATOM 1200 O PHE A 77 105.365 -8.993 2.339 1.00 0.00 O ATOM 1201 CB PHE A 77 104.806 -5.812 3.059 1.00 0.00 C ATOM 1202 CG PHE A 77 105.078 -5.572 4.526 1.00 0.00 C ATOM 1203 CD1 PHE A 77 104.231 -6.123 5.495 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.176 -4.797 4.916 1.00 0.00 C ATOM 1205 CE1 PHE A 77 104.482 -5.899 6.854 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.428 -4.573 6.275 1.00 0.00 C ATOM 1207 CZ PHE A 77 105.583 -5.124 7.244 1.00 0.00 C ATOM 0 H PHE A 77 106.235 -4.965 1.200 1.00 0.00 H new ATOM 0 HA PHE A 77 106.616 -6.970 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.735 -4.860 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 77 103.848 -6.317 2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 77 103.384 -6.721 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.829 -4.372 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 77 103.828 -6.323 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.275 -3.974 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 77 105.779 -4.952 8.292 1.00 0.00 H new ATOM 1217 N THR A 78 104.794 -7.761 0.612 1.00 0.00 N ATOM 1218 CA THR A 78 104.198 -8.934 -0.086 1.00 0.00 C ATOM 1219 C THR A 78 105.307 -9.908 -0.489 1.00 0.00 C ATOM 1220 O THR A 78 105.123 -11.109 -0.486 1.00 0.00 O ATOM 1221 CB THR A 78 103.456 -8.460 -1.338 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.296 -7.736 -0.953 1.00 0.00 O ATOM 1223 CG2 THR A 78 103.049 -9.669 -2.181 1.00 0.00 C ATOM 0 H THR A 78 104.739 -6.879 0.103 1.00 0.00 H new ATOM 0 HA THR A 78 103.499 -9.437 0.583 1.00 0.00 H new ATOM 0 HB THR A 78 104.109 -7.815 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.496 -8.257 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.521 -9.330 -3.072 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.940 -10.223 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 78 102.396 -10.317 -1.596 1.00 0.00 H new ATOM 1231 N VAL A 79 106.458 -9.401 -0.836 1.00 0.00 N ATOM 1232 CA VAL A 79 107.576 -10.299 -1.238 1.00 0.00 C ATOM 1233 C VAL A 79 108.052 -11.094 -0.022 1.00 0.00 C ATOM 1234 O VAL A 79 108.383 -12.259 -0.121 1.00 0.00 O ATOM 1235 CB VAL A 79 108.731 -9.461 -1.786 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.866 -10.385 -2.235 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.243 -8.638 -2.981 1.00 0.00 C ATOM 0 H VAL A 79 106.672 -8.404 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 79 107.231 -10.988 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 79 109.094 -8.792 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.689 -9.787 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.215 -10.972 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.503 -11.055 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.067 -8.040 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.879 -9.308 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.435 -7.979 -2.663 1.00 0.00 H new ATOM 1247 N GLN A 80 108.081 -10.476 1.124 1.00 0.00 N ATOM 1248 CA GLN A 80 108.529 -11.197 2.347 1.00 0.00 C ATOM 1249 C GLN A 80 107.486 -12.260 2.700 1.00 0.00 C ATOM 1250 O GLN A 80 107.811 -13.401 2.968 1.00 0.00 O ATOM 1251 CB GLN A 80 108.690 -10.189 3.496 1.00 0.00 C ATOM 1252 CG GLN A 80 107.943 -10.671 4.742 1.00 0.00 C ATOM 1253 CD GLN A 80 108.261 -9.747 5.918 1.00 0.00 C ATOM 1254 OE1 GLN A 80 109.383 -9.306 6.072 1.00 0.00 O ATOM 1255 NE2 GLN A 80 107.315 -9.432 6.760 1.00 0.00 N ATOM 0 H GLN A 80 107.814 -9.502 1.267 1.00 0.00 H new ATOM 0 HA GLN A 80 109.489 -11.684 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 80 109.747 -10.058 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.307 -9.215 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 80 106.869 -10.681 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 80 108.234 -11.694 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 80 106.373 -9.802 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 80 107.517 -8.816 7.547 1.00 0.00 H new ATOM 1264 N LEU A 81 106.232 -11.897 2.698 1.00 0.00 N ATOM 1265 CA LEU A 81 105.172 -12.888 3.025 1.00 0.00 C ATOM 1266 C LEU A 81 105.308 -14.089 2.088 1.00 0.00 C ATOM 1267 O LEU A 81 105.122 -15.222 2.482 1.00 0.00 O ATOM 1268 CB LEU A 81 103.792 -12.240 2.841 1.00 0.00 C ATOM 1269 CG LEU A 81 103.031 -12.259 4.169 1.00 0.00 C ATOM 1270 CD1 LEU A 81 101.791 -11.364 4.063 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.600 -13.694 4.490 1.00 0.00 C ATOM 0 H LEU A 81 105.898 -10.957 2.484 1.00 0.00 H new ATOM 0 HA LEU A 81 105.277 -13.217 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.905 -11.214 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.226 -12.777 2.079 1.00 0.00 H new ATOM 0 HG LEU A 81 103.679 -11.887 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.250 -11.378 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.098 -10.343 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.142 -11.733 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 81 102.058 -13.708 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.953 -14.066 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.482 -14.330 4.568 1.00 0.00 H new ATOM 1283 N ASP A 82 105.637 -13.847 0.847 1.00 0.00 N ATOM 1284 CA ASP A 82 105.790 -14.976 -0.111 1.00 0.00 C ATOM 1285 C ASP A 82 106.913 -15.892 0.371 1.00 0.00 C ATOM 1286 O ASP A 82 106.708 -17.064 0.611 1.00 0.00 O ATOM 1287 CB ASP A 82 106.132 -14.429 -1.498 1.00 0.00 C ATOM 1288 CG ASP A 82 105.968 -15.537 -2.539 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.838 -15.812 -2.910 1.00 0.00 O ATOM 1290 OD2 ASP A 82 106.974 -16.095 -2.947 1.00 0.00 O ATOM 0 H ASP A 82 105.806 -12.919 0.458 1.00 0.00 H new ATOM 0 HA ASP A 82 104.858 -15.538 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.481 -13.589 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 82 107.155 -14.053 -1.510 1.00 0.00 H new ATOM 1295 N ASP A 83 108.099 -15.369 0.526 1.00 0.00 N ATOM 1296 CA ASP A 83 109.218 -16.224 1.003 1.00 0.00 C ATOM 1297 C ASP A 83 108.727 -17.063 2.180 1.00 0.00 C ATOM 1298 O ASP A 83 109.114 -18.203 2.352 1.00 0.00 O ATOM 1299 CB ASP A 83 110.389 -15.344 1.449 1.00 0.00 C ATOM 1300 CG ASP A 83 110.996 -14.647 0.228 1.00 0.00 C ATOM 1301 OD1 ASP A 83 110.488 -14.854 -0.861 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.959 -13.920 0.405 1.00 0.00 O ATOM 0 H ASP A 83 108.338 -14.394 0.344 1.00 0.00 H new ATOM 0 HA ASP A 83 109.554 -16.876 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.047 -14.603 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.145 -15.951 1.948 1.00 0.00 H new ATOM 1307 N TYR A 84 107.866 -16.510 2.987 1.00 0.00 N ATOM 1308 CA TYR A 84 107.334 -17.276 4.145 1.00 0.00 C ATOM 1309 C TYR A 84 106.332 -18.310 3.634 1.00 0.00 C ATOM 1310 O TYR A 84 106.200 -19.387 4.178 1.00 0.00 O ATOM 1311 CB TYR A 84 106.637 -16.320 5.116 1.00 0.00 C ATOM 1312 CG TYR A 84 105.964 -17.114 6.211 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.568 -17.205 6.253 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.738 -17.760 7.184 1.00 0.00 C ATOM 1315 CE1 TYR A 84 103.945 -17.939 7.268 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.114 -18.496 8.199 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.718 -18.586 8.242 1.00 0.00 C ATOM 1318 OH TYR A 84 104.103 -19.310 9.241 1.00 0.00 O ATOM 0 H TYR A 84 107.508 -15.559 2.894 1.00 0.00 H new ATOM 0 HA TYR A 84 108.151 -17.778 4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.362 -15.630 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 84 105.901 -15.718 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 84 103.972 -16.709 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.815 -17.690 7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 84 102.868 -18.007 7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.710 -18.994 8.949 1.00 0.00 H new ATOM 0 HH TYR A 84 104.783 -19.695 9.832 1.00 0.00 H new ATOM 1328 N LEU A 85 105.628 -17.988 2.580 1.00 0.00 N ATOM 1329 CA LEU A 85 104.637 -18.943 2.018 1.00 0.00 C ATOM 1330 C LEU A 85 104.993 -19.241 0.560 1.00 0.00 C ATOM 1331 O LEU A 85 104.128 -19.409 -0.278 1.00 0.00 O ATOM 1332 CB LEU A 85 103.236 -18.330 2.087 1.00 0.00 C ATOM 1333 CG LEU A 85 102.627 -18.598 3.465 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.598 -17.513 3.789 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.937 -19.965 3.462 1.00 0.00 C ATOM 0 H LEU A 85 105.700 -17.099 2.085 1.00 0.00 H new ATOM 0 HA LEU A 85 104.654 -19.867 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.288 -17.257 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.603 -18.756 1.309 1.00 0.00 H new ATOM 0 HG LEU A 85 103.416 -18.589 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.164 -17.704 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.086 -16.538 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.810 -17.523 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.503 -20.156 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.149 -19.973 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.667 -20.741 3.231 1.00 0.00 H new ATOM 1347 N ASN A 86 106.259 -19.310 0.248 1.00 0.00 N ATOM 1348 CA ASN A 86 106.666 -19.597 -1.156 1.00 0.00 C ATOM 1349 C ASN A 86 106.369 -21.059 -1.474 1.00 0.00 C ATOM 1350 O ASN A 86 106.982 -21.662 -2.332 1.00 0.00 O ATOM 1351 CB ASN A 86 108.163 -19.326 -1.325 1.00 0.00 C ATOM 1352 CG ASN A 86 108.926 -19.917 -0.137 1.00 0.00 C ATOM 1353 OD1 ASN A 86 108.378 -20.680 0.633 1.00 0.00 O ATOM 1354 ND2 ASN A 86 110.176 -19.593 0.045 1.00 0.00 N ATOM 0 H ASN A 86 107.028 -19.180 0.905 1.00 0.00 H new ATOM 0 HA ASN A 86 106.109 -18.954 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.520 -19.766 -2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.344 -18.253 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 86 110.694 -19.980 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 86 110.636 -18.952 -0.602 1.00 0.00 H new ATOM 1361 N GLY A 87 105.426 -21.627 -0.783 1.00 0.00 N ATOM 1362 CA GLY A 87 105.071 -23.053 -1.032 1.00 0.00 C ATOM 1363 C GLY A 87 104.162 -23.143 -2.258 1.00 0.00 C ATOM 1364 O GLY A 87 104.584 -23.530 -3.328 1.00 0.00 O ATOM 0 H GLY A 87 104.882 -21.166 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.974 -23.642 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.567 -23.471 -0.161 1.00 0.00 H new ATOM 1368 N ARG A 88 102.915 -22.784 -2.111 1.00 0.00 N ATOM 1369 CA ARG A 88 101.980 -22.846 -3.268 1.00 0.00 C ATOM 1370 C ARG A 88 100.876 -21.801 -3.088 1.00 0.00 C ATOM 1371 O ARG A 88 99.703 -22.097 -3.192 1.00 0.00 O ATOM 1372 CB ARG A 88 101.356 -24.242 -3.347 1.00 0.00 C ATOM 1373 CG ARG A 88 102.262 -25.164 -4.168 1.00 0.00 C ATOM 1374 CD ARG A 88 101.578 -26.520 -4.363 1.00 0.00 C ATOM 1375 NE ARG A 88 101.963 -27.083 -5.688 1.00 0.00 N ATOM 1376 CZ ARG A 88 103.202 -27.414 -5.922 1.00 0.00 C ATOM 1377 NH1 ARG A 88 103.540 -27.903 -7.083 1.00 0.00 N ATOM 1378 NH2 ARG A 88 104.107 -27.256 -4.994 1.00 0.00 N ATOM 0 H ARG A 88 102.505 -22.451 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 88 102.527 -22.641 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 88 101.220 -24.648 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 88 100.368 -24.185 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 88 102.476 -24.711 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 88 103.217 -25.297 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 88 101.869 -27.204 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 88 100.496 -26.405 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 88 101.256 -27.209 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 88 102.835 -28.027 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 88 104.510 -28.162 -7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 88 103.845 -26.873 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 88 105.076 -27.515 -5.178 1.00 0.00 H new ATOM 1392 N ALA A 89 101.244 -20.577 -2.817 1.00 0.00 N ATOM 1393 CA ALA A 89 100.216 -19.515 -2.631 1.00 0.00 C ATOM 1394 C ALA A 89 100.041 -18.742 -3.940 1.00 0.00 C ATOM 1395 O ALA A 89 100.696 -19.014 -4.925 1.00 0.00 O ATOM 1396 CB ALA A 89 100.668 -18.554 -1.529 1.00 0.00 C ATOM 0 H ALA A 89 102.211 -20.268 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 89 99.268 -19.972 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.916 -17.777 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.795 -19.104 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.616 -18.096 -1.812 1.00 0.00 H new ATOM 1402 N VAL A 90 99.159 -17.780 -3.957 1.00 0.00 N ATOM 1403 CA VAL A 90 98.940 -16.990 -5.203 1.00 0.00 C ATOM 1404 C VAL A 90 98.848 -15.502 -4.856 1.00 0.00 C ATOM 1405 O VAL A 90 97.803 -15.007 -4.483 1.00 0.00 O ATOM 1406 CB VAL A 90 97.640 -17.441 -5.869 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.426 -16.646 -7.158 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.726 -18.933 -6.199 1.00 0.00 C ATOM 0 H VAL A 90 98.581 -17.507 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 90 99.774 -17.151 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 90 96.805 -17.267 -5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.499 -16.967 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.365 -15.583 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.261 -16.821 -7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.799 -19.255 -6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.561 -19.108 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.879 -19.500 -5.281 1.00 0.00 H new ATOM 1418 N GLN A 91 99.931 -14.785 -4.978 1.00 0.00 N ATOM 1419 CA GLN A 91 99.903 -13.331 -4.658 1.00 0.00 C ATOM 1420 C GLN A 91 99.689 -12.533 -5.947 1.00 0.00 C ATOM 1421 O GLN A 91 100.184 -12.895 -6.996 1.00 0.00 O ATOM 1422 CB GLN A 91 101.233 -12.924 -4.019 1.00 0.00 C ATOM 1423 CG GLN A 91 102.391 -13.468 -4.859 1.00 0.00 C ATOM 1424 CD GLN A 91 103.643 -12.628 -4.606 1.00 0.00 C ATOM 1425 OE1 GLN A 91 103.564 -11.424 -4.464 1.00 0.00 O ATOM 1426 NE2 GLN A 91 104.808 -13.216 -4.545 1.00 0.00 N ATOM 0 H GLN A 91 100.835 -15.144 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 91 99.089 -13.125 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.298 -11.838 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.294 -13.312 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.582 -14.510 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 91 102.130 -13.442 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 91 104.876 -14.227 -4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 91 105.650 -12.664 -4.378 1.00 0.00 H new ATOM 1435 N HIS A 92 98.957 -11.449 -5.889 1.00 0.00 N ATOM 1436 CA HIS A 92 98.733 -10.652 -7.130 1.00 0.00 C ATOM 1437 C HIS A 92 98.620 -9.165 -6.788 1.00 0.00 C ATOM 1438 O HIS A 92 98.331 -8.789 -5.667 1.00 0.00 O ATOM 1439 CB HIS A 92 97.451 -11.119 -7.825 1.00 0.00 C ATOM 1440 CG HIS A 92 96.368 -11.341 -6.808 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.154 -10.671 -6.865 1.00 0.00 N ATOM 1442 CD2 HIS A 92 96.293 -12.160 -5.709 1.00 0.00 C ATOM 1443 CE1 HIS A 92 94.406 -11.096 -5.831 1.00 0.00 C ATOM 1444 NE2 HIS A 92 95.055 -12.002 -5.096 1.00 0.00 N ATOM 0 H HIS A 92 98.511 -11.086 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 92 99.580 -10.800 -7.800 1.00 0.00 H new ATOM 0 HB2 HIS A 92 97.130 -10.374 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 92 97.640 -12.041 -8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 92 97.075 -12.825 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.405 -10.748 -5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.714 -12.478 -4.261 1.00 0.00 H new ATOM 1452 N ARG A 93 98.852 -8.316 -7.753 1.00 0.00 N ATOM 1453 CA ARG A 93 98.773 -6.849 -7.505 1.00 0.00 C ATOM 1454 C ARG A 93 97.361 -6.345 -7.808 1.00 0.00 C ATOM 1455 O ARG A 93 96.835 -6.552 -8.883 1.00 0.00 O ATOM 1456 CB ARG A 93 99.769 -6.132 -8.419 1.00 0.00 C ATOM 1457 CG ARG A 93 99.896 -4.667 -7.991 1.00 0.00 C ATOM 1458 CD ARG A 93 100.745 -3.902 -9.011 1.00 0.00 C ATOM 1459 NE ARG A 93 101.784 -3.109 -8.296 1.00 0.00 N ATOM 1460 CZ ARG A 93 102.790 -2.607 -8.957 1.00 0.00 C ATOM 1461 NH1 ARG A 93 103.701 -1.910 -8.332 1.00 0.00 N ATOM 1462 NH2 ARG A 93 102.888 -2.800 -10.245 1.00 0.00 N ATOM 0 H ARG A 93 99.094 -8.579 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 93 99.011 -6.646 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 93 100.742 -6.622 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.435 -6.191 -9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 93 98.908 -4.214 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.353 -4.605 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.217 -4.599 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.113 -3.242 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 93 101.709 -2.959 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 93 103.626 -1.758 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 93 104.487 -1.518 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 93 102.177 -3.344 -10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 93 103.675 -2.407 -10.761 1.00 0.00 H new ATOM 1476 N GLU A 94 96.747 -5.673 -6.871 1.00 0.00 N ATOM 1477 CA GLU A 94 95.372 -5.144 -7.109 1.00 0.00 C ATOM 1478 C GLU A 94 95.439 -3.623 -7.279 1.00 0.00 C ATOM 1479 O GLU A 94 96.029 -2.925 -6.478 1.00 0.00 O ATOM 1480 CB GLU A 94 94.476 -5.491 -5.919 1.00 0.00 C ATOM 1481 CG GLU A 94 94.579 -6.988 -5.618 1.00 0.00 C ATOM 1482 CD GLU A 94 93.339 -7.440 -4.846 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.734 -8.417 -5.255 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.015 -6.801 -3.859 1.00 0.00 O ATOM 0 H GLU A 94 97.138 -5.467 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 94 94.958 -5.593 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.775 -4.913 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.442 -5.224 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.667 -7.551 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 94 95.477 -7.192 -5.035 1.00 0.00 H new ATOM 1491 N VAL A 95 94.841 -3.105 -8.318 1.00 0.00 N ATOM 1492 CA VAL A 95 94.870 -1.633 -8.543 1.00 0.00 C ATOM 1493 C VAL A 95 93.445 -1.115 -8.744 1.00 0.00 C ATOM 1494 O VAL A 95 92.538 -1.866 -9.042 1.00 0.00 O ATOM 1495 CB VAL A 95 95.706 -1.325 -9.787 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.091 0.155 -9.791 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.974 -2.180 -9.771 1.00 0.00 C ATOM 0 H VAL A 95 94.333 -3.640 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 95 95.312 -1.143 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 95 95.124 -1.551 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.686 0.374 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.188 0.766 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 95 96.673 0.382 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.571 -1.962 -10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.555 -1.953 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.701 -3.235 -9.768 1.00 0.00 H new ATOM 1507 N GLN A 96 93.242 0.164 -8.584 1.00 0.00 N ATOM 1508 CA GLN A 96 91.877 0.731 -8.764 1.00 0.00 C ATOM 1509 C GLN A 96 91.417 0.511 -10.208 1.00 0.00 C ATOM 1510 O GLN A 96 92.205 0.554 -11.132 1.00 0.00 O ATOM 1511 CB GLN A 96 91.905 2.230 -8.460 1.00 0.00 C ATOM 1512 CG GLN A 96 90.526 2.681 -7.973 1.00 0.00 C ATOM 1513 CD GLN A 96 90.592 4.145 -7.535 1.00 0.00 C ATOM 1514 OE1 GLN A 96 89.575 4.772 -7.315 1.00 0.00 O ATOM 1515 NE2 GLN A 96 91.756 4.720 -7.397 1.00 0.00 N ATOM 0 H GLN A 96 93.964 0.841 -8.336 1.00 0.00 H new ATOM 0 HA GLN A 96 91.185 0.234 -8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.658 2.443 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.186 2.787 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 96 89.791 2.561 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.200 2.056 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.610 4.194 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 96 91.811 5.696 -7.104 1.00 0.00 H new ATOM 1524 N GLY A 97 90.150 0.277 -10.406 1.00 0.00 N ATOM 1525 CA GLY A 97 89.641 0.056 -11.790 1.00 0.00 C ATOM 1526 C GLY A 97 90.292 -1.196 -12.378 1.00 0.00 C ATOM 1527 O GLY A 97 90.083 -1.533 -13.527 1.00 0.00 O ATOM 0 H GLY A 97 89.445 0.229 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.557 -0.057 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 97 89.864 0.922 -12.414 1.00 0.00 H new ATOM 1531 N PHE A 98 91.077 -1.889 -11.600 1.00 0.00 N ATOM 1532 CA PHE A 98 91.742 -3.120 -12.115 1.00 0.00 C ATOM 1533 C PHE A 98 91.596 -4.244 -11.083 1.00 0.00 C ATOM 1534 O PHE A 98 92.153 -5.311 -11.233 1.00 0.00 O ATOM 1535 CB PHE A 98 93.228 -2.834 -12.362 1.00 0.00 C ATOM 1536 CG PHE A 98 93.618 -3.314 -13.740 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.438 -4.440 -13.882 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.158 -2.635 -14.873 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.799 -4.885 -15.159 1.00 0.00 C ATOM 1540 CE2 PHE A 98 93.520 -3.080 -16.151 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.340 -4.207 -16.294 1.00 0.00 C ATOM 0 H PHE A 98 91.287 -1.656 -10.629 1.00 0.00 H new ATOM 0 HA PHE A 98 91.275 -3.425 -13.051 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.422 -1.765 -12.270 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.835 -3.334 -11.607 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.792 -4.965 -13.007 1.00 0.00 H new ATOM 0 HD2 PHE A 98 92.524 -1.768 -14.763 1.00 0.00 H new ATOM 0 HE1 PHE A 98 95.433 -5.753 -15.269 1.00 0.00 H new ATOM 0 HE2 PHE A 98 93.167 -2.554 -17.026 1.00 0.00 H new ATOM 0 HZ PHE A 98 94.618 -4.552 -17.279 1.00 0.00 H new ATOM 1551 N GLU A 99 90.850 -4.007 -10.039 1.00 0.00 N ATOM 1552 CA GLU A 99 90.669 -5.061 -8.999 1.00 0.00 C ATOM 1553 C GLU A 99 90.453 -6.415 -9.681 1.00 0.00 C ATOM 1554 O GLU A 99 90.059 -6.486 -10.828 1.00 0.00 O ATOM 1555 CB GLU A 99 89.452 -4.722 -8.135 1.00 0.00 C ATOM 1556 CG GLU A 99 89.890 -3.870 -6.943 1.00 0.00 C ATOM 1557 CD GLU A 99 90.702 -2.673 -7.441 1.00 0.00 C ATOM 1558 OE1 GLU A 99 91.801 -2.483 -6.947 1.00 0.00 O ATOM 1559 OE2 GLU A 99 90.210 -1.967 -8.305 1.00 0.00 O ATOM 0 H GLU A 99 90.359 -3.131 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 99 91.557 -5.109 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.712 -4.184 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.976 -5.638 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.017 -3.525 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.488 -4.468 -6.256 1.00 0.00 H new ATOM 1566 N SER A 100 90.705 -7.488 -8.983 1.00 0.00 N ATOM 1567 CA SER A 100 90.512 -8.834 -9.592 1.00 0.00 C ATOM 1568 C SER A 100 89.029 -9.204 -9.545 1.00 0.00 C ATOM 1569 O SER A 100 88.313 -8.831 -8.636 1.00 0.00 O ATOM 1570 CB SER A 100 91.321 -9.869 -8.811 1.00 0.00 C ATOM 1571 OG SER A 100 92.641 -9.381 -8.613 1.00 0.00 O ATOM 0 H SER A 100 91.036 -7.491 -8.018 1.00 0.00 H new ATOM 0 HA SER A 100 90.851 -8.817 -10.628 1.00 0.00 H new ATOM 0 HB2 SER A 100 90.847 -10.069 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.348 -10.813 -9.355 1.00 0.00 H new ATOM 0 HG SER A 100 93.142 -10.010 -8.053 1.00 0.00 H new ATOM 1577 N ALA A 101 88.559 -9.937 -10.518 1.00 0.00 N ATOM 1578 CA ALA A 101 87.122 -10.331 -10.528 1.00 0.00 C ATOM 1579 C ALA A 101 86.788 -11.071 -9.231 1.00 0.00 C ATOM 1580 O ALA A 101 85.691 -10.977 -8.716 1.00 0.00 O ATOM 1581 CB ALA A 101 86.853 -11.248 -11.722 1.00 0.00 C ATOM 0 H ALA A 101 89.108 -10.280 -11.306 1.00 0.00 H new ATOM 0 HA ALA A 101 86.501 -9.439 -10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 101 85.802 -11.536 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 101 87.092 -10.722 -12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 101 87.474 -12.141 -11.642 1.00 0.00 H new ATOM 1587 N THR A 102 87.724 -11.807 -8.699 1.00 0.00 N ATOM 1588 CA THR A 102 87.460 -12.553 -7.437 1.00 0.00 C ATOM 1589 C THR A 102 87.306 -11.562 -6.281 1.00 0.00 C ATOM 1590 O THR A 102 86.541 -11.778 -5.362 1.00 0.00 O ATOM 1591 CB THR A 102 88.629 -13.497 -7.147 1.00 0.00 C ATOM 1592 OG1 THR A 102 88.748 -14.439 -8.203 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.380 -14.233 -5.830 1.00 0.00 C ATOM 0 H THR A 102 88.661 -11.924 -9.084 1.00 0.00 H new ATOM 0 HA THR A 102 86.543 -13.133 -7.544 1.00 0.00 H new ATOM 0 HB THR A 102 89.550 -12.920 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 102 89.497 -15.043 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.214 -14.905 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.290 -13.509 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 102 87.459 -14.811 -5.905 1.00 0.00 H new ATOM 1601 N PHE A 103 88.027 -10.476 -6.323 1.00 0.00 N ATOM 1602 CA PHE A 103 87.923 -9.470 -5.227 1.00 0.00 C ATOM 1603 C PHE A 103 86.549 -8.799 -5.281 1.00 0.00 C ATOM 1604 O PHE A 103 85.880 -8.652 -4.279 1.00 0.00 O ATOM 1605 CB PHE A 103 89.019 -8.414 -5.402 1.00 0.00 C ATOM 1606 CG PHE A 103 89.404 -7.858 -4.050 1.00 0.00 C ATOM 1607 CD1 PHE A 103 90.129 -8.648 -3.151 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.039 -6.554 -3.700 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.488 -8.133 -1.899 1.00 0.00 C ATOM 1610 CE2 PHE A 103 89.397 -6.038 -2.448 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.121 -6.828 -1.548 1.00 0.00 C ATOM 0 H PHE A 103 88.683 -10.241 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 103 88.046 -9.964 -4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.890 -8.855 -5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.666 -7.612 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 103 90.412 -9.654 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 103 88.481 -5.945 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 103 91.048 -8.742 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 103 89.115 -5.031 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 103 90.397 -6.431 -0.582 1.00 0.00 H new ATOM 1621 N LEU A 104 86.124 -8.390 -6.446 1.00 0.00 N ATOM 1622 CA LEU A 104 84.794 -7.729 -6.565 1.00 0.00 C ATOM 1623 C LEU A 104 83.689 -8.758 -6.316 1.00 0.00 C ATOM 1624 O LEU A 104 82.583 -8.419 -5.947 1.00 0.00 O ATOM 1625 CB LEU A 104 84.640 -7.141 -7.969 1.00 0.00 C ATOM 1626 CG LEU A 104 85.271 -5.748 -8.013 1.00 0.00 C ATOM 1627 CD1 LEU A 104 85.712 -5.432 -9.444 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.247 -4.708 -7.556 1.00 0.00 C ATOM 0 H LEU A 104 86.641 -8.485 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 104 84.718 -6.930 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.118 -7.791 -8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.585 -7.082 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 104 86.136 -5.722 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.162 -4.440 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.443 -6.172 -9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 104 84.846 -5.459 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 104 84.697 -3.716 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.381 -4.735 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 104 83.932 -4.931 -6.537 1.00 0.00 H new ATOM 1640 N GLY A 105 83.981 -10.014 -6.518 1.00 0.00 N ATOM 1641 CA GLY A 105 82.947 -11.064 -6.293 1.00 0.00 C ATOM 1642 C GLY A 105 83.033 -11.568 -4.851 1.00 0.00 C ATOM 1643 O GLY A 105 82.065 -12.042 -4.291 1.00 0.00 O ATOM 0 H GLY A 105 84.890 -10.358 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.954 -10.659 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.097 -11.891 -6.987 1.00 0.00 H new ATOM 1647 N TYR A 106 84.187 -11.471 -4.248 1.00 0.00 N ATOM 1648 CA TYR A 106 84.333 -11.946 -2.844 1.00 0.00 C ATOM 1649 C TYR A 106 83.726 -10.916 -1.889 1.00 0.00 C ATOM 1650 O TYR A 106 83.220 -11.251 -0.837 1.00 0.00 O ATOM 1651 CB TYR A 106 85.819 -12.126 -2.520 1.00 0.00 C ATOM 1652 CG TYR A 106 85.963 -12.816 -1.185 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.008 -14.214 -1.120 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.055 -12.058 -0.010 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.143 -14.854 0.117 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.190 -12.698 1.228 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.233 -14.096 1.291 1.00 0.00 C ATOM 1658 OH TYR A 106 86.367 -14.726 2.512 1.00 0.00 O ATOM 0 H TYR A 106 85.033 -11.084 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 106 83.815 -12.898 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.303 -12.714 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.317 -11.157 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.938 -14.799 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.022 -10.980 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.178 -15.932 0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.261 -12.114 2.134 1.00 0.00 H new ATOM 0 HH TYR A 106 86.417 -14.054 3.223 1.00 0.00 H new ATOM 1668 N PHE A 107 83.771 -9.663 -2.251 1.00 0.00 N ATOM 1669 CA PHE A 107 83.196 -8.611 -1.366 1.00 0.00 C ATOM 1670 C PHE A 107 81.679 -8.558 -1.557 1.00 0.00 C ATOM 1671 O PHE A 107 81.186 -8.471 -2.664 1.00 0.00 O ATOM 1672 CB PHE A 107 83.805 -7.254 -1.725 1.00 0.00 C ATOM 1673 CG PHE A 107 85.136 -7.099 -1.030 1.00 0.00 C ATOM 1674 CD1 PHE A 107 85.362 -6.005 -0.187 1.00 0.00 C ATOM 1675 CD2 PHE A 107 86.145 -8.051 -1.226 1.00 0.00 C ATOM 1676 CE1 PHE A 107 86.596 -5.859 0.457 1.00 0.00 C ATOM 1677 CE2 PHE A 107 87.379 -7.906 -0.582 1.00 0.00 C ATOM 1678 CZ PHE A 107 87.605 -6.811 0.261 1.00 0.00 C ATOM 0 H PHE A 107 84.181 -9.323 -3.121 1.00 0.00 H new ATOM 0 HA PHE A 107 83.423 -8.846 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 107 83.935 -7.176 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.131 -6.451 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 107 84.583 -5.273 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.970 -8.897 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 107 86.770 -5.013 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 107 88.157 -8.639 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 107 88.557 -6.700 0.760 1.00 0.00 H new ATOM 1688 N LYS A 108 80.935 -8.605 -0.486 1.00 0.00 N ATOM 1689 CA LYS A 108 79.449 -8.556 -0.604 1.00 0.00 C ATOM 1690 C LYS A 108 78.954 -7.159 -0.228 1.00 0.00 C ATOM 1691 O LYS A 108 77.815 -6.809 -0.463 1.00 0.00 O ATOM 1692 CB LYS A 108 78.827 -9.589 0.336 1.00 0.00 C ATOM 1693 CG LYS A 108 78.852 -10.967 -0.326 1.00 0.00 C ATOM 1694 CD LYS A 108 78.716 -12.055 0.743 1.00 0.00 C ATOM 1695 CE LYS A 108 80.105 -12.497 1.208 1.00 0.00 C ATOM 1696 NZ LYS A 108 81.003 -11.311 1.292 1.00 0.00 N ATOM 0 H LYS A 108 81.292 -8.675 0.467 1.00 0.00 H new ATOM 0 HA LYS A 108 79.159 -8.780 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.377 -9.617 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 108 77.801 -9.308 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.039 -11.049 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 108 79.783 -11.100 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 108 78.142 -11.677 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 108 78.168 -12.907 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 108 80.036 -12.984 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 108 80.517 -13.229 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 81.932 -11.604 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 81.118 -10.895 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 80.587 -10.605 1.932 1.00 0.00 H new ATOM 1710 N SER A 109 79.801 -6.357 0.359 1.00 0.00 N ATOM 1711 CA SER A 109 79.377 -4.983 0.753 1.00 0.00 C ATOM 1712 C SER A 109 79.810 -3.986 -0.324 1.00 0.00 C ATOM 1713 O SER A 109 79.431 -2.832 -0.302 1.00 0.00 O ATOM 1714 CB SER A 109 80.031 -4.611 2.084 1.00 0.00 C ATOM 1715 OG SER A 109 79.326 -3.522 2.665 1.00 0.00 O ATOM 0 H SER A 109 80.768 -6.594 0.583 1.00 0.00 H new ATOM 0 HA SER A 109 78.293 -4.954 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 109 80.022 -5.467 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 109 81.075 -4.341 1.926 1.00 0.00 H new ATOM 0 HG SER A 109 79.001 -2.928 1.957 1.00 0.00 H new ATOM 1721 N GLY A 110 80.601 -4.421 -1.266 1.00 0.00 N ATOM 1722 CA GLY A 110 81.056 -3.496 -2.342 1.00 0.00 C ATOM 1723 C GLY A 110 82.220 -2.647 -1.827 1.00 0.00 C ATOM 1724 O GLY A 110 82.034 -1.721 -1.064 1.00 0.00 O ATOM 0 H GLY A 110 80.952 -5.376 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 110 81.367 -4.065 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 110 80.234 -2.853 -2.655 1.00 0.00 H new ATOM 1728 N LEU A 111 83.418 -2.954 -2.240 1.00 0.00 N ATOM 1729 CA LEU A 111 84.592 -2.164 -1.773 1.00 0.00 C ATOM 1730 C LEU A 111 84.457 -0.720 -2.261 1.00 0.00 C ATOM 1731 O LEU A 111 83.505 -0.365 -2.927 1.00 0.00 O ATOM 1732 CB LEU A 111 85.879 -2.776 -2.336 1.00 0.00 C ATOM 1733 CG LEU A 111 85.585 -3.434 -3.687 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.837 -3.379 -4.566 1.00 0.00 C ATOM 1735 CD2 LEU A 111 85.181 -4.896 -3.468 1.00 0.00 C ATOM 0 H LEU A 111 83.635 -3.717 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 111 84.631 -2.179 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.640 -2.004 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 111 86.278 -3.514 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 111 84.771 -2.901 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.627 -3.848 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 111 87.125 -2.340 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 111 87.651 -3.911 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.972 -5.364 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 111 85.994 -5.428 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 111 84.289 -4.937 -2.843 1.00 0.00 H new ATOM 1747 N LYS A 112 85.405 0.117 -1.936 1.00 0.00 N ATOM 1748 CA LYS A 112 85.329 1.536 -2.380 1.00 0.00 C ATOM 1749 C LYS A 112 86.700 2.196 -2.215 1.00 0.00 C ATOM 1750 O LYS A 112 87.582 1.662 -1.573 1.00 0.00 O ATOM 1751 CB LYS A 112 84.290 2.284 -1.532 1.00 0.00 C ATOM 1752 CG LYS A 112 83.172 2.820 -2.431 1.00 0.00 C ATOM 1753 CD LYS A 112 82.298 3.791 -1.636 1.00 0.00 C ATOM 1754 CE LYS A 112 81.714 3.076 -0.418 1.00 0.00 C ATOM 1755 NZ LYS A 112 81.316 1.691 -0.799 1.00 0.00 N ATOM 0 H LYS A 112 86.228 -0.122 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 112 85.033 1.574 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.874 1.616 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.767 3.107 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 112 83.599 3.325 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 112 82.567 1.995 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.888 4.650 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.495 4.172 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 112 82.449 3.046 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 112 80.850 3.623 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.631 1.324 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.882 1.702 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 82.157 1.079 -0.811 1.00 0.00 H new ATOM 1769 N TYR A 113 86.886 3.353 -2.789 1.00 0.00 N ATOM 1770 CA TYR A 113 88.199 4.049 -2.666 1.00 0.00 C ATOM 1771 C TYR A 113 87.961 5.524 -2.337 1.00 0.00 C ATOM 1772 O TYR A 113 87.603 6.311 -3.192 1.00 0.00 O ATOM 1773 CB TYR A 113 88.969 3.932 -3.989 1.00 0.00 C ATOM 1774 CG TYR A 113 88.035 3.458 -5.078 1.00 0.00 C ATOM 1775 CD1 TYR A 113 88.183 2.174 -5.616 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.024 4.303 -5.551 1.00 0.00 C ATOM 1777 CE1 TYR A 113 87.320 1.734 -6.627 1.00 0.00 C ATOM 1778 CE2 TYR A 113 86.161 3.863 -6.561 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.308 2.579 -7.099 1.00 0.00 C ATOM 1780 OH TYR A 113 85.457 2.146 -8.094 1.00 0.00 O ATOM 0 H TYR A 113 86.184 3.848 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 113 88.783 3.589 -1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 113 89.398 4.897 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.799 3.234 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 113 88.963 1.523 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 113 86.910 5.294 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 113 87.435 0.744 -7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 113 85.381 4.515 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 113 84.813 2.854 -8.304 1.00 0.00 H new ATOM 1790 N LYS A 114 88.154 5.905 -1.104 1.00 0.00 N ATOM 1791 CA LYS A 114 87.939 7.329 -0.721 1.00 0.00 C ATOM 1792 C LYS A 114 89.153 8.159 -1.137 1.00 0.00 C ATOM 1793 O LYS A 114 90.273 7.873 -0.761 1.00 0.00 O ATOM 1794 CB LYS A 114 87.749 7.425 0.794 1.00 0.00 C ATOM 1795 CG LYS A 114 87.018 8.724 1.137 1.00 0.00 C ATOM 1796 CD LYS A 114 86.956 8.891 2.656 1.00 0.00 C ATOM 1797 CE LYS A 114 86.094 7.781 3.258 1.00 0.00 C ATOM 1798 NZ LYS A 114 86.927 6.564 3.476 1.00 0.00 N ATOM 0 H LYS A 114 88.451 5.292 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 114 87.050 7.711 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.179 6.569 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.717 7.397 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 114 87.534 9.573 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 114 86.011 8.707 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 114 87.961 8.855 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.540 9.866 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 114 85.663 8.113 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 114 85.263 7.551 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 86.526 5.768 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 87.899 6.746 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 86.938 6.328 4.489 1.00 0.00 H new ATOM 1812 N LYS A 115 88.944 9.187 -1.914 1.00 0.00 N ATOM 1813 CA LYS A 115 90.087 10.033 -2.354 1.00 0.00 C ATOM 1814 C LYS A 115 90.260 11.203 -1.382 1.00 0.00 C ATOM 1815 O LYS A 115 89.301 11.736 -0.861 1.00 0.00 O ATOM 1816 CB LYS A 115 89.811 10.574 -3.759 1.00 0.00 C ATOM 1817 CG LYS A 115 90.932 11.534 -4.166 1.00 0.00 C ATOM 1818 CD LYS A 115 90.889 11.757 -5.679 1.00 0.00 C ATOM 1819 CE LYS A 115 89.514 12.299 -6.077 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.629 13.051 -7.358 1.00 0.00 N ATOM 0 H LYS A 115 88.030 9.477 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 115 90.998 9.434 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 115 89.746 9.751 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 115 88.851 11.090 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 115 90.819 12.484 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 115 91.899 11.124 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 115 91.668 12.459 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 115 91.088 10.821 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.805 11.478 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 115 89.127 12.951 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 88.695 13.420 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 90.292 13.843 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 89.980 12.416 -8.103 1.00 0.00 H new