USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 705 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 19 THR OG1 : rot 171:sc= -0.162 USER MOD Set 1.2: A 77 THR OG1 : rot -37:sc= 0.334 USER MOD Set 2.1: A 53 ASN : amide:sc= -4.28! C(o=-11!,f=-12!) USER MOD Set 2.2: A 54 GLN : amide:sc= -7.05! K(o=-11!,f=-6.5) USER MOD Set 3.1: A 35 GLN : amide:sc= -4.58! K(o=-3.2!,f=-0.041) USER MOD Set 3.2: A 37 TYR OH : rot 108:sc= 0.863 USER MOD Set 3.3: A 47 THR OG1 : rot -27:sc= 0.552 USER MOD Set 3.4: A 94 TYR OH : rot 165:sc= -0.0175 USER MOD Set 4.1: A 28 SER OG : rot 18:sc= -0.709! USER MOD Set 4.2: A 31 SER OG : rot 142:sc= 1.52 USER MOD Set 4.3: A 32 ASN : amide:sc= -3.4! C(o=-2.6!,f=-1.9!) USER MOD Set 5.1: A 8 HIS : no HD1:sc= -3.83! C(o=-6.3!,f=-5.9!) USER MOD Set 5.2: A 9 SER OG : rot 180:sc= -2.48! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 6 GLN : amide:sc= -12.6! C(o=-13!,f=-11!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0037 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.0845 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 25 SER OG : rot -140:sc= -0.517 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -10.9! C(o=-11!,f=-14!) USER MOD Single : A 39 GLN : amide:sc= -2.04 K(o=-2,f=-0.52) USER MOD Single : A 46 THR OG1 : rot 23:sc= 0.48 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -38:sc= 0.618 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.826 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 15:sc= 0.38! USER MOD Single : A 89 TYR OH : rot 81:sc= -1.64! USER MOD Single : A 90 TYR OH : rot 30:sc= -0.404 USER MOD Single : A 92 GLN : amide:sc= 0.138 K(o=0.14,f=-2.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -83:sc= 0.637 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.320 14.132 7.530 1.00 0.00 N ATOM 38 CA MET A 3 83.364 13.237 7.039 1.00 0.00 C ATOM 39 C MET A 3 82.891 11.794 7.166 1.00 0.00 C ATOM 40 O MET A 3 81.877 11.523 7.809 1.00 0.00 O ATOM 41 CB MET A 3 84.655 13.437 7.839 1.00 0.00 C ATOM 42 CG MET A 3 85.498 14.558 7.225 1.00 0.00 C ATOM 43 SD MET A 3 86.307 13.952 5.723 1.00 0.00 S ATOM 44 CE MET A 3 87.800 13.300 6.512 1.00 0.00 C ATOM 0 HA MET A 3 83.567 13.463 5.992 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.414 13.680 8.874 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.228 12.510 7.854 1.00 0.00 H new ATOM 0 HG2 MET A 3 84.867 15.415 6.990 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.246 14.899 7.941 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.454 12.870 5.754 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.322 14.107 7.026 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.524 12.530 7.232 1.00 0.00 H new ATOM 54 N LEU A 4 83.638 10.876 6.559 1.00 0.00 N ATOM 55 CA LEU A 4 83.296 9.459 6.608 1.00 0.00 C ATOM 56 C LEU A 4 84.491 8.666 7.126 1.00 0.00 C ATOM 57 O LEU A 4 85.454 8.440 6.393 1.00 0.00 O ATOM 58 CB LEU A 4 82.909 8.956 5.213 1.00 0.00 C ATOM 59 CG LEU A 4 81.507 9.443 4.818 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.589 10.800 4.114 1.00 0.00 C ATOM 61 CD2 LEU A 4 80.839 8.442 3.870 1.00 0.00 C ATOM 0 H LEU A 4 84.483 11.088 6.028 1.00 0.00 H new ATOM 0 HA LEU A 4 82.447 9.322 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.638 9.306 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 4 82.937 7.867 5.195 1.00 0.00 H new ATOM 0 HG LEU A 4 80.918 9.536 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.586 11.130 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.041 11.531 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.198 10.707 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 4 79.846 8.803 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 4 81.443 8.335 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 4 80.751 7.475 4.365 1.00 0.00 H new ATOM 73 N THR A 5 84.433 8.259 8.391 1.00 0.00 N ATOM 74 CA THR A 5 85.540 7.532 9.002 1.00 0.00 C ATOM 75 C THR A 5 85.483 6.069 8.572 1.00 0.00 C ATOM 76 O THR A 5 84.494 5.380 8.820 1.00 0.00 O ATOM 77 CB THR A 5 85.450 7.651 10.530 1.00 0.00 C ATOM 78 OG1 THR A 5 84.143 8.080 10.884 1.00 0.00 O ATOM 79 CG2 THR A 5 86.468 8.663 11.063 1.00 0.00 C ATOM 0 H THR A 5 83.637 8.419 9.009 1.00 0.00 H new ATOM 0 HA THR A 5 86.489 7.957 8.675 1.00 0.00 H new ATOM 0 HB THR A 5 85.666 6.677 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.077 8.157 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.383 8.728 12.148 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.475 8.341 10.797 1.00 0.00 H new ATOM 0 HG23 THR A 5 86.272 9.642 10.625 1.00 0.00 H new ATOM 87 N GLN A 6 86.556 5.597 7.945 1.00 0.00 N ATOM 88 CA GLN A 6 86.624 4.212 7.491 1.00 0.00 C ATOM 89 C GLN A 6 88.049 3.689 7.658 1.00 0.00 C ATOM 90 O GLN A 6 88.934 4.440 8.070 1.00 0.00 O ATOM 91 CB GLN A 6 86.168 4.112 6.028 1.00 0.00 C ATOM 92 CG GLN A 6 85.332 5.333 5.632 1.00 0.00 C ATOM 93 CD GLN A 6 84.853 5.189 4.192 1.00 0.00 C ATOM 94 OE1 GLN A 6 84.537 6.186 3.542 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.823 4.007 3.640 1.00 0.00 N ATOM 0 H GLN A 6 87.388 6.151 7.740 1.00 0.00 H new ATOM 0 HA GLN A 6 85.955 3.598 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 6 87.038 4.035 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 6 85.582 3.204 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.477 5.431 6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 6 85.926 6.241 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 6 85.086 3.184 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.537 3.906 2.666 1.00 0.00 H new ATOM 104 N PRO A 7 88.323 2.473 7.261 1.00 0.00 N ATOM 105 CA PRO A 7 89.694 1.896 7.358 1.00 0.00 C ATOM 106 C PRO A 7 90.626 2.477 6.298 1.00 0.00 C ATOM 107 O PRO A 7 90.180 2.857 5.215 1.00 0.00 O ATOM 108 CB PRO A 7 89.495 0.385 7.171 1.00 0.00 C ATOM 109 CG PRO A 7 88.021 0.145 7.091 1.00 0.00 C ATOM 110 CD PRO A 7 87.360 1.482 6.753 1.00 0.00 C ATOM 0 HA PRO A 7 90.168 2.130 8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.992 0.040 6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.931 -0.167 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.794 -0.600 6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.643 -0.242 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 7 87.198 1.591 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.387 1.583 7.234 1.00 0.00 H new ATOM 118 N HIS A 8 91.921 2.520 6.598 1.00 0.00 N ATOM 119 CA HIS A 8 92.899 3.041 5.649 1.00 0.00 C ATOM 120 C HIS A 8 93.299 1.978 4.630 1.00 0.00 C ATOM 121 O HIS A 8 93.135 2.171 3.425 1.00 0.00 O ATOM 122 CB HIS A 8 94.146 3.517 6.397 1.00 0.00 C ATOM 123 CG HIS A 8 94.801 2.349 7.083 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.138 1.574 8.020 1.00 0.00 N ATOM 125 CD2 HIS A 8 96.036 1.769 6.926 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.992 0.625 8.441 1.00 0.00 C ATOM 127 NE2 HIS A 8 96.158 0.686 7.793 1.00 0.00 N ATOM 0 H HIS A 8 92.315 2.203 7.484 1.00 0.00 H new ATOM 0 HA HIS A 8 92.442 3.876 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.845 3.981 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.875 4.277 7.130 1.00 0.00 H new ATOM 0 HD2 HIS A 8 96.797 2.102 6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 8 94.763 -0.098 9.210 1.00 0.00 H new ATOM 0 HE2 HIS A 8 96.964 0.072 7.908 1.00 0.00 H new ATOM 135 N SER A 9 93.795 0.845 5.119 1.00 0.00 N ATOM 136 CA SER A 9 94.198 -0.248 4.242 1.00 0.00 C ATOM 137 C SER A 9 94.080 -1.586 4.964 1.00 0.00 C ATOM 138 O SER A 9 94.293 -1.672 6.174 1.00 0.00 O ATOM 139 CB SER A 9 95.642 -0.052 3.779 1.00 0.00 C ATOM 140 OG SER A 9 96.480 0.157 4.906 1.00 0.00 O ATOM 0 H SER A 9 93.927 0.661 6.114 1.00 0.00 H new ATOM 0 HA SER A 9 93.536 -0.248 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.977 -0.926 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.705 0.801 3.103 1.00 0.00 H new ATOM 0 HG SER A 9 97.405 0.281 4.607 1.00 0.00 H new ATOM 146 N VAL A 10 93.788 -2.634 4.203 1.00 0.00 N ATOM 147 CA VAL A 10 93.657 -3.967 4.776 1.00 0.00 C ATOM 148 C VAL A 10 93.681 -5.021 3.674 1.00 0.00 C ATOM 149 O VAL A 10 93.296 -4.753 2.536 1.00 0.00 O ATOM 150 CB VAL A 10 92.350 -4.062 5.566 1.00 0.00 C ATOM 151 CG1 VAL A 10 91.170 -3.716 4.655 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.176 -5.480 6.111 1.00 0.00 C ATOM 0 H VAL A 10 93.638 -2.587 3.195 1.00 0.00 H new ATOM 0 HA VAL A 10 94.496 -4.148 5.448 1.00 0.00 H new ATOM 0 HB VAL A 10 92.384 -3.358 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.241 -3.785 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 10 91.289 -2.701 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.138 -4.415 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.244 -5.542 6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.148 -6.187 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.012 -5.723 6.767 1.00 0.00 H new ATOM 162 N SER A 11 94.112 -6.229 4.025 1.00 0.00 N ATOM 163 CA SER A 11 94.165 -7.330 3.070 1.00 0.00 C ATOM 164 C SER A 11 93.540 -8.584 3.669 1.00 0.00 C ATOM 165 O SER A 11 93.745 -8.895 4.842 1.00 0.00 O ATOM 166 CB SER A 11 95.621 -7.614 2.697 1.00 0.00 C ATOM 167 OG SER A 11 96.318 -8.096 3.837 1.00 0.00 O ATOM 0 H SER A 11 94.430 -6.470 4.964 1.00 0.00 H new ATOM 0 HA SER A 11 93.605 -7.049 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.665 -8.349 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.096 -6.706 2.325 1.00 0.00 H new ATOM 0 HG SER A 11 97.250 -8.279 3.597 1.00 0.00 H new ATOM 173 N GLU A 12 92.822 -9.334 2.838 1.00 0.00 N ATOM 174 CA GLU A 12 92.172 -10.564 3.279 1.00 0.00 C ATOM 175 C GLU A 12 92.467 -11.699 2.305 1.00 0.00 C ATOM 176 O GLU A 12 92.899 -11.457 1.178 1.00 0.00 O ATOM 177 CB GLU A 12 90.658 -10.345 3.382 1.00 0.00 C ATOM 178 CG GLU A 12 90.059 -11.256 4.458 1.00 0.00 C ATOM 179 CD GLU A 12 90.308 -10.662 5.840 1.00 0.00 C ATOM 180 OE1 GLU A 12 91.194 -9.830 5.951 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.556 -10.982 6.746 1.00 0.00 O ATOM 0 H GLU A 12 92.675 -9.111 1.854 1.00 0.00 H new ATOM 0 HA GLU A 12 92.563 -10.835 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.450 -9.302 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.188 -10.550 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.988 -11.375 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.503 -12.249 4.394 1.00 0.00 H new ATOM 188 N SER A 13 92.338 -12.933 2.783 1.00 0.00 N ATOM 189 CA SER A 13 92.629 -14.095 1.951 1.00 0.00 C ATOM 190 C SER A 13 91.489 -14.356 0.965 1.00 0.00 C ATOM 191 O SER A 13 90.336 -14.061 1.279 1.00 0.00 O ATOM 192 CB SER A 13 92.862 -15.322 2.835 1.00 0.00 C ATOM 193 OG SER A 13 93.530 -14.925 4.024 1.00 0.00 O ATOM 0 H SER A 13 92.037 -13.153 3.732 1.00 0.00 H new ATOM 0 HA SER A 13 93.533 -13.894 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 13 91.910 -15.794 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.457 -16.062 2.300 1.00 0.00 H new ATOM 0 HG SER A 13 93.679 -15.709 4.593 1.00 0.00 H new ATOM 199 N PRO A 14 91.753 -14.886 -0.204 1.00 0.00 N ATOM 200 CA PRO A 14 90.666 -15.270 -1.151 1.00 0.00 C ATOM 201 C PRO A 14 89.775 -16.374 -0.584 1.00 0.00 C ATOM 202 O PRO A 14 90.200 -17.525 -0.492 1.00 0.00 O ATOM 203 CB PRO A 14 91.385 -15.738 -2.425 1.00 0.00 C ATOM 204 CG PRO A 14 92.854 -15.568 -2.198 1.00 0.00 C ATOM 205 CD PRO A 14 93.076 -15.299 -0.707 1.00 0.00 C ATOM 0 HA PRO A 14 89.997 -14.431 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.148 -16.780 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.060 -15.154 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.393 -16.463 -2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.239 -14.741 -2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.436 -16.190 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.821 -14.519 -0.551 1.00 0.00 H new ATOM 213 N GLY A 15 88.485 -16.074 -0.450 1.00 0.00 N ATOM 214 CA GLY A 15 87.500 -17.069 -0.036 1.00 0.00 C ATOM 215 C GLY A 15 86.865 -16.678 1.294 1.00 0.00 C ATOM 216 O GLY A 15 86.073 -17.433 1.859 1.00 0.00 O ATOM 0 H GLY A 15 88.097 -15.147 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.728 -17.163 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 15 87.978 -18.044 0.056 1.00 0.00 H new ATOM 220 N LYS A 16 87.390 -15.613 1.893 1.00 0.00 N ATOM 221 CA LYS A 16 86.897 -15.134 3.180 1.00 0.00 C ATOM 222 C LYS A 16 85.889 -14.002 2.997 1.00 0.00 C ATOM 223 O LYS A 16 85.753 -13.440 1.911 1.00 0.00 O ATOM 224 CB LYS A 16 88.073 -14.644 4.028 1.00 0.00 C ATOM 225 CG LYS A 16 88.843 -15.839 4.598 1.00 0.00 C ATOM 226 CD LYS A 16 89.868 -15.337 5.616 1.00 0.00 C ATOM 227 CE LYS A 16 90.558 -16.523 6.294 1.00 0.00 C ATOM 228 NZ LYS A 16 91.218 -16.057 7.545 1.00 0.00 N ATOM 0 H LYS A 16 88.158 -15.065 1.507 1.00 0.00 H new ATOM 0 HA LYS A 16 86.395 -15.960 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 16 88.738 -14.029 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.709 -14.015 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.154 -16.538 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.344 -16.380 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.609 -14.710 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.375 -14.716 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 16 89.830 -17.301 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.295 -16.963 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.688 -16.860 8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 91.924 -15.328 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 90.504 -15.657 8.186 1.00 0.00 H new ATOM 242 N THR A 17 85.153 -13.706 4.063 1.00 0.00 N ATOM 243 CA THR A 17 84.179 -12.620 4.039 1.00 0.00 C ATOM 244 C THR A 17 84.801 -11.347 4.602 1.00 0.00 C ATOM 245 O THR A 17 85.325 -11.343 5.716 1.00 0.00 O ATOM 246 CB THR A 17 82.959 -13.013 4.876 1.00 0.00 C ATOM 247 OG1 THR A 17 83.396 -13.625 6.080 1.00 0.00 O ATOM 248 CG2 THR A 17 82.091 -14.002 4.094 1.00 0.00 C ATOM 0 H THR A 17 85.212 -14.201 4.953 1.00 0.00 H new ATOM 0 HA THR A 17 83.871 -12.437 3.010 1.00 0.00 H new ATOM 0 HB THR A 17 82.375 -12.121 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 17 84.237 -13.214 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.224 -14.279 4.694 1.00 0.00 H new ATOM 0 HG22 THR A 17 81.757 -13.538 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 17 82.673 -14.895 3.864 1.00 0.00 H new ATOM 256 N VAL A 18 84.618 -10.243 3.883 1.00 0.00 N ATOM 257 CA VAL A 18 85.124 -8.942 4.311 1.00 0.00 C ATOM 258 C VAL A 18 83.977 -7.943 4.416 1.00 0.00 C ATOM 259 O VAL A 18 83.109 -7.885 3.546 1.00 0.00 O ATOM 260 CB VAL A 18 86.168 -8.431 3.314 1.00 0.00 C ATOM 261 CG1 VAL A 18 86.524 -6.973 3.619 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.433 -9.284 3.435 1.00 0.00 C ATOM 0 H VAL A 18 84.119 -10.224 2.994 1.00 0.00 H new ATOM 0 HA VAL A 18 85.591 -9.051 5.290 1.00 0.00 H new ATOM 0 HB VAL A 18 85.759 -8.497 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 18 87.267 -6.622 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.628 -6.356 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 18 86.930 -6.901 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.182 -8.927 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 18 87.826 -9.210 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.193 -10.324 3.214 1.00 0.00 H new ATOM 272 N THR A 19 83.975 -7.184 5.507 1.00 0.00 N ATOM 273 CA THR A 19 82.961 -6.163 5.748 1.00 0.00 C ATOM 274 C THR A 19 83.633 -4.799 5.875 1.00 0.00 C ATOM 275 O THR A 19 84.533 -4.617 6.696 1.00 0.00 O ATOM 276 CB THR A 19 82.188 -6.513 7.026 1.00 0.00 C ATOM 277 OG1 THR A 19 81.134 -7.405 6.701 1.00 0.00 O ATOM 278 CG2 THR A 19 81.605 -5.275 7.717 1.00 0.00 C ATOM 0 H THR A 19 84.673 -7.259 6.247 1.00 0.00 H new ATOM 0 HA THR A 19 82.260 -6.125 4.914 1.00 0.00 H new ATOM 0 HB THR A 19 82.891 -6.975 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.728 -7.746 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.068 -5.579 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.413 -4.596 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.919 -4.769 7.038 1.00 0.00 H new ATOM 286 N ILE A 20 83.051 -3.806 5.209 1.00 0.00 N ATOM 287 CA ILE A 20 83.535 -2.431 5.290 1.00 0.00 C ATOM 288 C ILE A 20 82.577 -1.586 6.121 1.00 0.00 C ATOM 289 O ILE A 20 81.358 -1.714 6.004 1.00 0.00 O ATOM 290 CB ILE A 20 83.644 -1.826 3.888 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.309 -2.829 2.942 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.465 -0.534 3.931 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.649 -3.308 3.509 1.00 0.00 C ATOM 0 H ILE A 20 82.239 -3.929 4.604 1.00 0.00 H new ATOM 0 HA ILE A 20 84.518 -2.440 5.761 1.00 0.00 H new ATOM 0 HB ILE A 20 82.642 -1.596 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.649 -3.682 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.466 -2.367 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.535 -0.114 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.979 0.184 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.466 -0.751 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.102 -4.020 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.315 -2.455 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.485 -3.791 4.472 1.00 0.00 H new ATOM 305 N SER A 21 83.136 -0.791 7.029 1.00 0.00 N ATOM 306 CA SER A 21 82.352 0.092 7.887 1.00 0.00 C ATOM 307 C SER A 21 82.581 1.552 7.498 1.00 0.00 C ATOM 308 O SER A 21 83.710 2.038 7.569 1.00 0.00 O ATOM 309 CB SER A 21 82.762 -0.152 9.343 1.00 0.00 C ATOM 310 OG SER A 21 82.635 -1.537 9.640 1.00 0.00 O ATOM 0 H SER A 21 84.142 -0.741 7.190 1.00 0.00 H new ATOM 0 HA SER A 21 81.290 -0.121 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.790 0.173 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.134 0.435 10.013 1.00 0.00 H new ATOM 0 HG SER A 21 82.898 -1.698 10.570 1.00 0.00 H new ATOM 316 N CYS A 22 81.500 2.284 7.227 1.00 0.00 N ATOM 317 CA CYS A 22 81.569 3.719 6.936 1.00 0.00 C ATOM 318 C CYS A 22 80.754 4.438 8.015 1.00 0.00 C ATOM 319 O CYS A 22 79.663 3.992 8.376 1.00 0.00 O ATOM 320 CB CYS A 22 81.006 4.068 5.542 1.00 0.00 C ATOM 321 SG CYS A 22 82.151 3.719 4.170 1.00 0.00 S ATOM 0 H CYS A 22 80.555 1.902 7.203 1.00 0.00 H new ATOM 0 HA CYS A 22 82.613 4.032 6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.084 3.508 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.744 5.126 5.522 1.00 0.00 H new ATOM 326 N THR A 23 81.377 5.398 8.698 1.00 0.00 N ATOM 327 CA THR A 23 80.679 6.212 9.689 1.00 0.00 C ATOM 328 C THR A 23 80.697 7.656 9.213 1.00 0.00 C ATOM 329 O THR A 23 81.762 8.272 9.199 1.00 0.00 O ATOM 330 CB THR A 23 81.377 6.153 11.051 1.00 0.00 C ATOM 331 OG1 THR A 23 81.340 4.820 11.538 1.00 0.00 O ATOM 332 CG2 THR A 23 80.692 7.091 12.052 1.00 0.00 C ATOM 0 H THR A 23 82.364 5.630 8.582 1.00 0.00 H new ATOM 0 HA THR A 23 79.663 5.832 9.799 1.00 0.00 H new ATOM 0 HB THR A 23 82.412 6.475 10.932 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.787 4.777 12.409 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.203 7.034 13.013 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.734 8.114 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.651 6.793 12.177 1.00 0.00 H new ATOM 340 N ARG A 24 79.528 8.283 9.253 1.00 0.00 N ATOM 341 CA ARG A 24 79.475 9.716 9.004 1.00 0.00 C ATOM 342 C ARG A 24 79.791 10.464 10.295 1.00 0.00 C ATOM 343 O ARG A 24 79.182 10.208 11.334 1.00 0.00 O ATOM 344 CB ARG A 24 78.087 10.089 8.476 1.00 0.00 C ATOM 345 CG ARG A 24 78.153 11.407 7.702 1.00 0.00 C ATOM 346 CD ARG A 24 76.743 11.810 7.266 1.00 0.00 C ATOM 347 NE ARG A 24 76.797 12.997 6.420 1.00 0.00 N ATOM 348 CZ ARG A 24 75.792 13.866 6.377 1.00 0.00 C ATOM 349 NH1 ARG A 24 74.645 13.559 6.917 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.984 15.055 5.875 1.00 0.00 N ATOM 0 H ARG A 24 78.631 7.839 9.449 1.00 0.00 H new ATOM 0 HA ARG A 24 80.214 9.995 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.711 9.297 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.387 10.181 9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.590 12.187 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.798 11.298 6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.274 10.989 6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.126 12.007 8.143 1.00 0.00 H new ATOM 0 HE ARG A 24 77.625 13.164 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 24 74.521 12.654 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 24 73.872 14.224 6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.903 15.315 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.215 15.724 5.840 1.00 0.00 H new ATOM 364 N SER A 25 80.613 11.501 10.184 1.00 0.00 N ATOM 365 CA SER A 25 80.957 12.333 11.333 1.00 0.00 C ATOM 366 C SER A 25 79.702 12.943 11.947 1.00 0.00 C ATOM 367 O SER A 25 79.780 13.907 12.708 1.00 0.00 O ATOM 368 CB SER A 25 81.947 13.427 10.931 1.00 0.00 C ATOM 369 OG SER A 25 83.214 12.833 10.684 1.00 0.00 O ATOM 0 H SER A 25 81.054 11.787 9.310 1.00 0.00 H new ATOM 0 HA SER A 25 81.434 11.701 12.083 1.00 0.00 H new ATOM 0 HB2 SER A 25 81.594 13.946 10.040 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.028 14.172 11.723 1.00 0.00 H new ATOM 0 HG SER A 25 83.921 13.410 11.041 1.00 0.00 H new ATOM 375 N SER A 26 78.561 12.570 11.376 1.00 0.00 N ATOM 376 CA SER A 26 77.273 13.136 11.761 1.00 0.00 C ATOM 377 C SER A 26 76.493 12.129 12.603 1.00 0.00 C ATOM 378 O SER A 26 75.558 12.488 13.318 1.00 0.00 O ATOM 379 CB SER A 26 76.507 13.506 10.487 1.00 0.00 C ATOM 380 OG SER A 26 75.934 14.797 10.639 1.00 0.00 O ATOM 0 H SER A 26 78.503 11.870 10.636 1.00 0.00 H new ATOM 0 HA SER A 26 77.415 14.032 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.179 13.493 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.727 12.770 10.292 1.00 0.00 H new ATOM 0 HG SER A 26 75.445 15.036 9.824 1.00 0.00 H new ATOM 386 N GLY A 27 76.901 10.865 12.524 1.00 0.00 N ATOM 387 CA GLY A 27 76.237 9.799 13.268 1.00 0.00 C ATOM 388 C GLY A 27 75.062 9.231 12.477 1.00 0.00 C ATOM 389 O GLY A 27 74.740 8.048 12.591 1.00 0.00 O ATOM 0 H GLY A 27 77.687 10.554 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.950 9.005 13.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.884 10.184 14.225 1.00 0.00 H new ATOM 393 N SER A 28 74.413 10.082 11.689 1.00 0.00 N ATOM 394 CA SER A 28 73.264 9.655 10.898 1.00 0.00 C ATOM 395 C SER A 28 73.702 8.777 9.731 1.00 0.00 C ATOM 396 O SER A 28 74.368 9.245 8.808 1.00 0.00 O ATOM 397 CB SER A 28 72.514 10.873 10.354 1.00 0.00 C ATOM 398 OG SER A 28 71.757 10.490 9.216 1.00 0.00 O ATOM 0 H SER A 28 74.661 11.066 11.581 1.00 0.00 H new ATOM 0 HA SER A 28 72.606 9.078 11.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.856 11.282 11.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 73.220 11.659 10.087 1.00 0.00 H new ATOM 0 HG SER A 28 71.647 9.516 9.209 1.00 0.00 H new ATOM 404 N ILE A 29 73.373 7.490 9.804 1.00 0.00 N ATOM 405 CA ILE A 29 73.763 6.529 8.776 1.00 0.00 C ATOM 406 C ILE A 29 72.601 5.625 8.384 1.00 0.00 C ATOM 407 O ILE A 29 72.090 5.717 7.268 1.00 0.00 O ATOM 408 CB ILE A 29 74.895 5.632 9.286 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.572 5.111 10.702 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.236 6.382 9.260 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.122 3.644 10.730 1.00 0.00 C ATOM 0 H ILE A 29 72.834 7.086 10.570 1.00 0.00 H new ATOM 0 HA ILE A 29 74.086 7.107 7.910 1.00 0.00 H new ATOM 0 HB ILE A 29 74.984 4.772 8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.455 5.223 11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.789 5.731 11.138 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.026 5.727 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.462 6.688 8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.172 7.264 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.912 3.347 11.758 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.221 3.528 10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.913 3.013 10.324 1.00 0.00 H new ATOM 423 N ALA A 30 72.083 4.877 9.352 1.00 0.00 N ATOM 424 CA ALA A 30 70.973 3.974 9.074 1.00 0.00 C ATOM 425 C ALA A 30 69.789 4.822 8.634 1.00 0.00 C ATOM 426 O ALA A 30 68.741 4.316 8.234 1.00 0.00 O ATOM 427 CB ALA A 30 70.584 3.192 10.332 1.00 0.00 C ATOM 0 H ALA A 30 72.407 4.877 10.319 1.00 0.00 H new ATOM 0 HA ALA A 30 71.262 3.262 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.754 2.524 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.437 2.606 10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.284 3.888 11.115 1.00 0.00 H new ATOM 433 N SER A 31 70.052 6.123 8.607 1.00 0.00 N ATOM 434 CA SER A 31 69.061 7.119 8.203 1.00 0.00 C ATOM 435 C SER A 31 69.418 7.744 6.860 1.00 0.00 C ATOM 436 O SER A 31 68.536 7.976 6.033 1.00 0.00 O ATOM 437 CB SER A 31 68.939 8.226 9.249 1.00 0.00 C ATOM 438 OG SER A 31 70.229 8.744 9.532 1.00 0.00 O ATOM 0 H SER A 31 70.956 6.519 8.864 1.00 0.00 H new ATOM 0 HA SER A 31 68.107 6.599 8.112 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.288 9.019 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.483 7.835 10.159 1.00 0.00 H new ATOM 0 HG SER A 31 70.173 9.715 9.651 1.00 0.00 H new ATOM 444 N ASN A 32 70.708 7.766 6.539 1.00 0.00 N ATOM 445 CA ASN A 32 71.161 8.425 5.318 1.00 0.00 C ATOM 446 C ASN A 32 71.491 7.352 4.288 1.00 0.00 C ATOM 447 O ASN A 32 71.777 6.209 4.645 1.00 0.00 O ATOM 448 CB ASN A 32 72.441 9.228 5.576 1.00 0.00 C ATOM 449 CG ASN A 32 72.162 10.444 6.453 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.018 10.883 6.554 1.00 0.00 O ATOM 451 ND2 ASN A 32 73.160 11.083 6.999 1.00 0.00 N ATOM 0 H ASN A 32 71.449 7.342 7.098 1.00 0.00 H new ATOM 0 HA ASN A 32 70.375 9.095 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.182 8.591 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.868 9.551 4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.992 11.949 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 32 74.108 10.717 6.914 1.00 0.00 H new ATOM 458 N TYR A 33 71.346 7.696 3.013 1.00 0.00 N ATOM 459 CA TYR A 33 71.476 6.704 1.953 1.00 0.00 C ATOM 460 C TYR A 33 72.951 6.476 1.637 1.00 0.00 C ATOM 461 O TYR A 33 73.676 7.423 1.332 1.00 0.00 O ATOM 462 CB TYR A 33 70.742 7.177 0.694 1.00 0.00 C ATOM 463 CG TYR A 33 69.491 7.930 1.084 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.572 7.350 1.966 1.00 0.00 C ATOM 465 CD2 TYR A 33 69.187 9.146 0.460 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.403 8.040 2.309 1.00 0.00 C ATOM 467 CE2 TYR A 33 68.007 9.826 0.786 1.00 0.00 C ATOM 468 CZ TYR A 33 67.112 9.269 1.707 1.00 0.00 C ATOM 469 OH TYR A 33 65.950 9.936 2.036 1.00 0.00 O ATOM 0 H TYR A 33 71.141 8.642 2.691 1.00 0.00 H new ATOM 0 HA TYR A 33 71.031 5.767 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.394 7.819 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.483 6.322 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.764 6.372 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.863 9.560 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.725 7.623 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 33 67.788 10.779 0.327 1.00 0.00 H new ATOM 0 HH TYR A 33 65.900 10.774 1.530 1.00 0.00 H new ATOM 479 N VAL A 34 73.429 5.265 1.909 1.00 0.00 N ATOM 480 CA VAL A 34 74.836 4.935 1.705 1.00 0.00 C ATOM 481 C VAL A 34 75.036 4.219 0.374 1.00 0.00 C ATOM 482 O VAL A 34 74.109 3.610 -0.159 1.00 0.00 O ATOM 483 CB VAL A 34 75.333 4.044 2.845 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.825 3.766 2.638 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.080 4.712 4.205 1.00 0.00 C ATOM 0 H VAL A 34 72.864 4.497 2.271 1.00 0.00 H new ATOM 0 HA VAL A 34 75.407 5.863 1.692 1.00 0.00 H new ATOM 0 HB VAL A 34 74.786 3.101 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.192 3.131 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.972 3.261 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.374 4.708 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.441 4.062 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.608 5.665 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.011 4.884 4.333 1.00 0.00 H new ATOM 495 N GLN A 35 76.196 4.439 -0.236 1.00 0.00 N ATOM 496 CA GLN A 35 76.508 3.872 -1.545 1.00 0.00 C ATOM 497 C GLN A 35 77.929 3.323 -1.521 1.00 0.00 C ATOM 498 O GLN A 35 78.745 3.748 -0.705 1.00 0.00 O ATOM 499 CB GLN A 35 76.371 4.961 -2.613 1.00 0.00 C ATOM 500 CG GLN A 35 77.178 4.620 -3.869 1.00 0.00 C ATOM 501 CD GLN A 35 76.725 5.468 -5.053 1.00 0.00 C ATOM 502 OE1 GLN A 35 76.005 6.453 -4.884 1.00 0.00 O ATOM 503 NE2 GLN A 35 77.108 5.132 -6.255 1.00 0.00 N ATOM 0 H GLN A 35 76.942 5.011 0.159 1.00 0.00 H new ATOM 0 HA GLN A 35 75.818 3.062 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 35 75.320 5.084 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 35 76.711 5.914 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 35 78.239 4.787 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 35 77.059 3.563 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 35 77.704 4.316 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 35 76.811 5.686 -7.058 1.00 0.00 H new ATOM 512 N TRP A 36 78.215 2.376 -2.411 1.00 0.00 N ATOM 513 CA TRP A 36 79.556 1.810 -2.518 1.00 0.00 C ATOM 514 C TRP A 36 80.092 1.975 -3.937 1.00 0.00 C ATOM 515 O TRP A 36 79.369 1.776 -4.913 1.00 0.00 O ATOM 516 CB TRP A 36 79.522 0.324 -2.152 1.00 0.00 C ATOM 517 CG TRP A 36 79.153 0.178 -0.710 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.933 -0.175 -0.244 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.991 0.391 0.465 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.975 -0.229 1.135 1.00 0.00 N ATOM 521 CE2 TRP A 36 79.218 0.121 1.622 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.337 0.754 0.640 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.753 0.257 2.908 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.891 0.839 1.924 1.00 0.00 C ATOM 525 CH2 TRP A 36 81.103 0.597 3.056 1.00 0.00 C ATOM 0 H TRP A 36 77.538 1.986 -3.067 1.00 0.00 H new ATOM 0 HA TRP A 36 80.214 2.340 -1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.800 -0.200 -2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.495 -0.130 -2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.065 -0.381 -0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.184 -0.495 1.722 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.950 0.969 -0.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.131 0.101 3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.934 1.093 2.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.536 0.673 4.042 1.00 0.00 H new ATOM 536 N TYR A 37 81.351 2.395 -4.034 1.00 0.00 N ATOM 537 CA TYR A 37 82.007 2.619 -5.318 1.00 0.00 C ATOM 538 C TYR A 37 83.437 2.095 -5.225 1.00 0.00 C ATOM 539 O TYR A 37 84.187 2.532 -4.352 1.00 0.00 O ATOM 540 CB TYR A 37 81.998 4.122 -5.632 1.00 0.00 C ATOM 541 CG TYR A 37 81.244 4.414 -6.909 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.781 4.020 -8.142 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.034 5.118 -6.869 1.00 0.00 C ATOM 544 CE1 TYR A 37 81.093 4.310 -9.327 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.357 5.424 -8.056 1.00 0.00 C ATOM 546 CZ TYR A 37 79.919 5.070 -9.288 1.00 0.00 C ATOM 547 OH TYR A 37 79.218 5.316 -10.452 1.00 0.00 O ATOM 0 H TYR A 37 81.943 2.589 -3.227 1.00 0.00 H new ATOM 0 HA TYR A 37 81.484 2.095 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 37 81.540 4.665 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.023 4.483 -5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 37 82.723 3.494 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.622 5.426 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 37 81.469 3.947 -10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.404 5.932 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 37 78.387 4.796 -10.450 1.00 0.00 H new ATOM 557 N GLN A 38 83.889 1.403 -6.267 1.00 0.00 N ATOM 558 CA GLN A 38 85.270 0.927 -6.322 1.00 0.00 C ATOM 559 C GLN A 38 85.889 1.269 -7.674 1.00 0.00 C ATOM 560 O GLN A 38 85.208 1.295 -8.698 1.00 0.00 O ATOM 561 CB GLN A 38 85.348 -0.588 -6.079 1.00 0.00 C ATOM 562 CG GLN A 38 84.020 -1.276 -6.417 1.00 0.00 C ATOM 563 CD GLN A 38 83.160 -1.394 -5.164 1.00 0.00 C ATOM 564 OE1 GLN A 38 82.466 -0.451 -4.783 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.184 -2.511 -4.490 1.00 0.00 N ATOM 0 H GLN A 38 83.324 1.160 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 38 85.829 1.427 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 38 86.146 -1.015 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.604 -0.779 -5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.490 -0.706 -7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 38 84.209 -2.266 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.761 -3.288 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.626 -2.607 -3.642 1.00 0.00 H new ATOM 574 N GLN A 39 87.195 1.514 -7.648 1.00 0.00 N ATOM 575 CA GLN A 39 87.960 1.822 -8.851 1.00 0.00 C ATOM 576 C GLN A 39 88.940 0.695 -9.155 1.00 0.00 C ATOM 577 O GLN A 39 89.601 0.175 -8.256 1.00 0.00 O ATOM 578 CB GLN A 39 88.735 3.125 -8.641 1.00 0.00 C ATOM 579 CG GLN A 39 89.612 3.437 -9.863 1.00 0.00 C ATOM 580 CD GLN A 39 89.387 4.866 -10.347 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.149 5.768 -9.999 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.317 5.134 -11.044 1.00 0.00 N ATOM 0 H GLN A 39 87.752 1.505 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 39 87.273 1.931 -9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 39 88.038 3.945 -8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.359 3.044 -7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.662 3.297 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.384 2.737 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 39 87.691 4.380 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.106 6.097 -11.305 1.00 0.00 H new ATOM 591 N ARG A 40 89.076 0.371 -10.437 1.00 0.00 N ATOM 592 CA ARG A 40 89.976 -0.692 -10.875 1.00 0.00 C ATOM 593 C ARG A 40 91.093 -0.081 -11.721 1.00 0.00 C ATOM 594 O ARG A 40 90.830 0.834 -12.504 1.00 0.00 O ATOM 595 CB ARG A 40 89.196 -1.738 -11.685 1.00 0.00 C ATOM 596 CG ARG A 40 87.899 -1.133 -12.235 1.00 0.00 C ATOM 597 CD ARG A 40 86.804 -1.092 -11.161 1.00 0.00 C ATOM 598 NE ARG A 40 85.863 -2.190 -11.352 1.00 0.00 N ATOM 599 CZ ARG A 40 86.287 -3.435 -11.537 1.00 0.00 C ATOM 600 NH1 ARG A 40 86.772 -4.117 -10.536 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.187 -3.987 -12.715 1.00 0.00 N ATOM 0 H ARG A 40 88.572 0.832 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 40 90.413 -1.188 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 40 89.811 -2.103 -12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 40 88.965 -2.597 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.092 -0.124 -12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 40 87.554 -1.719 -13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 40 87.254 -1.159 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.276 -0.140 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 40 84.861 -1.998 -11.343 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.826 -3.694 -9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 40 87.097 -5.073 -10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.784 -3.463 -13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.512 -4.943 -12.859 1.00 0.00 H new ATOM 658 N PRO A 45 85.697 4.115 -12.223 1.00 0.00 N ATOM 659 CA PRO A 45 84.836 3.614 -11.113 1.00 0.00 C ATOM 660 C PRO A 45 83.520 3.033 -11.626 1.00 0.00 C ATOM 661 O PRO A 45 83.035 3.423 -12.687 1.00 0.00 O ATOM 662 CB PRO A 45 84.607 4.843 -10.221 1.00 0.00 C ATOM 663 CG PRO A 45 85.346 5.985 -10.846 1.00 0.00 C ATOM 664 CD PRO A 45 85.679 5.586 -12.285 1.00 0.00 C ATOM 0 HA PRO A 45 85.307 2.794 -10.571 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.544 5.069 -10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.969 4.658 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.738 6.890 -10.830 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.257 6.203 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.931 5.952 -12.989 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.640 5.989 -12.604 1.00 0.00 H new ATOM 672 N THR A 46 82.912 2.147 -10.840 1.00 0.00 N ATOM 673 CA THR A 46 81.613 1.575 -11.187 1.00 0.00 C ATOM 674 C THR A 46 80.733 1.448 -9.947 1.00 0.00 C ATOM 675 O THR A 46 81.118 0.806 -8.969 1.00 0.00 O ATOM 676 CB THR A 46 81.816 0.198 -11.823 1.00 0.00 C ATOM 677 OG1 THR A 46 82.455 -0.671 -10.899 1.00 0.00 O ATOM 678 CG2 THR A 46 82.693 0.345 -13.068 1.00 0.00 C ATOM 0 H THR A 46 83.298 1.810 -9.958 1.00 0.00 H new ATOM 0 HA THR A 46 81.116 2.236 -11.896 1.00 0.00 H new ATOM 0 HB THR A 46 80.847 -0.220 -12.098 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.298 -0.351 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.842 -0.633 -13.526 1.00 0.00 H new ATOM 0 HG22 THR A 46 82.204 1.009 -13.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 83.659 0.764 -12.785 1.00 0.00 H new ATOM 686 N THR A 47 79.524 2.000 -10.009 1.00 0.00 N ATOM 687 CA THR A 47 78.602 1.874 -8.886 1.00 0.00 C ATOM 688 C THR A 47 78.292 0.404 -8.638 1.00 0.00 C ATOM 689 O THR A 47 77.645 -0.241 -9.461 1.00 0.00 O ATOM 690 CB THR A 47 77.290 2.613 -9.171 1.00 0.00 C ATOM 691 OG1 THR A 47 77.559 3.974 -9.468 1.00 0.00 O ATOM 692 CG2 THR A 47 76.344 2.554 -7.964 1.00 0.00 C ATOM 0 H THR A 47 79.166 2.527 -10.806 1.00 0.00 H new ATOM 0 HA THR A 47 79.075 2.313 -8.008 1.00 0.00 H new ATOM 0 HB THR A 47 76.812 2.125 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.395 4.244 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.422 3.087 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.113 1.514 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.824 3.019 -7.103 1.00 0.00 H new ATOM 700 N VAL A 48 78.590 -0.076 -7.434 1.00 0.00 N ATOM 701 CA VAL A 48 78.326 -1.479 -7.136 1.00 0.00 C ATOM 702 C VAL A 48 77.054 -1.657 -6.315 1.00 0.00 C ATOM 703 O VAL A 48 76.316 -2.617 -6.540 1.00 0.00 O ATOM 704 CB VAL A 48 79.493 -2.035 -6.315 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.292 -3.536 -6.095 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.821 -1.783 -7.036 1.00 0.00 C ATOM 0 H VAL A 48 79.000 0.464 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 48 78.208 -2.004 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 48 79.523 -1.528 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.122 -3.932 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.358 -3.703 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 48 79.252 -4.043 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.641 -2.184 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.806 -2.274 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.963 -0.711 -7.173 1.00 0.00 H new ATOM 716 N ILE A 49 76.694 -0.660 -5.512 1.00 0.00 N ATOM 717 CA ILE A 49 75.426 -0.658 -4.799 1.00 0.00 C ATOM 718 C ILE A 49 74.929 0.782 -4.712 1.00 0.00 C ATOM 719 O ILE A 49 75.708 1.685 -4.408 1.00 0.00 O ATOM 720 CB ILE A 49 75.633 -1.281 -3.415 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.715 -2.808 -3.527 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.490 -0.871 -2.480 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.163 -3.406 -2.192 1.00 0.00 C ATOM 0 H ILE A 49 77.271 0.163 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 49 74.673 -1.250 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 49 76.572 -0.916 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.743 -3.213 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.416 -3.086 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.645 -1.318 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.469 0.215 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.542 -1.217 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.219 -4.491 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.145 -3.012 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.445 -3.141 -1.416 1.00 0.00 H new ATOM 735 N TYR A 50 73.613 0.961 -4.747 1.00 0.00 N ATOM 736 CA TYR A 50 73.017 2.280 -4.562 1.00 0.00 C ATOM 737 C TYR A 50 71.863 2.193 -3.568 1.00 0.00 C ATOM 738 O TYR A 50 71.494 1.097 -3.145 1.00 0.00 O ATOM 739 CB TYR A 50 72.518 2.816 -5.907 1.00 0.00 C ATOM 740 CG TYR A 50 71.694 4.065 -5.695 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.332 5.281 -5.421 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.295 3.998 -5.704 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.572 6.432 -5.184 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.539 5.167 -5.552 1.00 0.00 C ATOM 745 CZ TYR A 50 70.175 6.380 -5.263 1.00 0.00 C ATOM 746 OH TYR A 50 69.430 7.522 -5.047 1.00 0.00 O ATOM 0 H TYR A 50 72.939 0.211 -4.901 1.00 0.00 H new ATOM 0 HA TYR A 50 73.770 2.962 -4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.365 3.036 -6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.919 2.057 -6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.410 5.331 -5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.800 3.046 -5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.064 7.362 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.465 5.133 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 50 68.477 7.313 -5.140 1.00 0.00 H new ATOM 756 N GLU A 51 71.518 3.335 -2.986 1.00 0.00 N ATOM 757 CA GLU A 51 70.496 3.371 -1.946 1.00 0.00 C ATOM 758 C GLU A 51 70.799 2.335 -0.868 1.00 0.00 C ATOM 759 O GLU A 51 69.915 1.830 -0.177 1.00 0.00 O ATOM 760 CB GLU A 51 69.156 3.026 -2.608 1.00 0.00 C ATOM 761 CG GLU A 51 68.034 2.942 -1.564 1.00 0.00 C ATOM 762 CD GLU A 51 66.726 3.499 -2.119 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.750 4.598 -2.647 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.723 2.813 -2.012 1.00 0.00 O ATOM 0 H GLU A 51 71.926 4.242 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 51 70.469 4.357 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.909 3.782 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.240 2.075 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.892 1.905 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.321 3.499 -0.672 1.00 0.00 H new ATOM 771 N ASP A 52 72.076 1.986 -0.779 1.00 0.00 N ATOM 772 CA ASP A 52 72.552 0.980 0.162 1.00 0.00 C ATOM 773 C ASP A 52 71.610 -0.217 0.141 1.00 0.00 C ATOM 774 O ASP A 52 71.730 -1.116 0.972 1.00 0.00 O ATOM 775 CB ASP A 52 72.550 1.559 1.579 1.00 0.00 C ATOM 776 CG ASP A 52 73.380 0.679 2.508 1.00 0.00 C ATOM 777 OD1 ASP A 52 73.686 -0.437 2.122 1.00 0.00 O ATOM 778 OD2 ASP A 52 73.724 1.147 3.581 1.00 0.00 O ATOM 0 H ASP A 52 72.811 2.392 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 52 73.560 0.679 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 72.955 2.571 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.527 1.629 1.950 1.00 0.00 H new ATOM 783 N ASN A 53 70.834 -0.330 -0.933 1.00 0.00 N ATOM 784 CA ASN A 53 70.028 -1.515 -1.194 1.00 0.00 C ATOM 785 C ASN A 53 70.310 -2.021 -2.604 1.00 0.00 C ATOM 786 O ASN A 53 70.195 -3.215 -2.877 1.00 0.00 O ATOM 787 CB ASN A 53 68.554 -1.187 -0.915 1.00 0.00 C ATOM 788 CG ASN A 53 67.730 -1.053 -2.191 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.091 -0.023 -2.405 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.529 -2.109 -2.930 1.00 0.00 N ATOM 0 H ASN A 53 70.747 0.396 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 53 70.290 -2.337 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.124 -1.969 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.494 -0.258 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.843 -2.081 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.058 -2.963 -2.754 1.00 0.00 H new ATOM 797 N GLN A 54 70.316 -1.068 -3.532 1.00 0.00 N ATOM 798 CA GLN A 54 70.326 -1.403 -4.950 1.00 0.00 C ATOM 799 C GLN A 54 71.515 -2.316 -5.234 1.00 0.00 C ATOM 800 O GLN A 54 72.595 -2.115 -4.679 1.00 0.00 O ATOM 801 CB GLN A 54 70.404 -0.134 -5.810 1.00 0.00 C ATOM 802 CG GLN A 54 69.174 0.005 -6.709 1.00 0.00 C ATOM 803 CD GLN A 54 67.936 0.213 -5.845 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.813 0.229 -6.350 1.00 0.00 O ATOM 805 NE2 GLN A 54 68.086 0.395 -4.562 1.00 0.00 N ATOM 0 H GLN A 54 70.314 -0.068 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 54 69.400 -1.918 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.486 0.741 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.304 -0.163 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.301 0.846 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 69.056 -0.888 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 54 69.019 0.380 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.270 0.552 -3.970 1.00 0.00 H new ATOM 814 N ARG A 55 71.320 -3.316 -6.088 1.00 0.00 N ATOM 815 CA ARG A 55 72.414 -4.196 -6.489 1.00 0.00 C ATOM 816 C ARG A 55 72.284 -4.564 -7.968 1.00 0.00 C ATOM 817 O ARG A 55 71.380 -5.323 -8.318 1.00 0.00 O ATOM 818 CB ARG A 55 72.352 -5.454 -5.615 1.00 0.00 C ATOM 819 CG ARG A 55 73.715 -6.155 -5.492 1.00 0.00 C ATOM 820 CD ARG A 55 74.002 -6.495 -4.026 1.00 0.00 C ATOM 821 NE ARG A 55 72.916 -7.308 -3.494 1.00 0.00 N ATOM 822 CZ ARG A 55 73.094 -8.095 -2.438 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.610 -7.608 -1.342 1.00 0.00 N ATOM 824 NH2 ARG A 55 72.740 -9.348 -2.499 1.00 0.00 N ATOM 0 H ARG A 55 70.420 -3.537 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 55 73.372 -3.694 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.995 -5.184 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.626 -6.150 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.720 -7.065 -6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.501 -5.510 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.947 -7.033 -3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 55 74.105 -5.580 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 55 72.000 -7.272 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 55 73.876 -6.624 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 55 73.747 -8.211 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 55 72.328 -9.721 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 55 72.875 -9.956 -1.691 1.00 0.00 H new ATOM 838 N PRO A 56 73.118 -4.070 -8.849 1.00 0.00 N ATOM 839 CA PRO A 56 73.015 -4.416 -10.296 1.00 0.00 C ATOM 840 C PRO A 56 73.369 -5.877 -10.561 1.00 0.00 C ATOM 841 O PRO A 56 74.315 -6.411 -9.982 1.00 0.00 O ATOM 842 CB PRO A 56 73.989 -3.470 -11.013 1.00 0.00 C ATOM 843 CG PRO A 56 74.562 -2.553 -9.979 1.00 0.00 C ATOM 844 CD PRO A 56 74.228 -3.133 -8.602 1.00 0.00 C ATOM 0 HA PRO A 56 71.993 -4.297 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.780 -4.035 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.473 -2.902 -11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.641 -2.463 -10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.145 -1.552 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.088 -3.644 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.936 -2.349 -7.903 1.00 0.00 H new ATOM 852 N SER A 57 72.669 -6.485 -11.514 1.00 0.00 N ATOM 853 CA SER A 57 72.944 -7.862 -11.905 1.00 0.00 C ATOM 854 C SER A 57 74.282 -7.959 -12.631 1.00 0.00 C ATOM 855 O SER A 57 75.019 -8.931 -12.465 1.00 0.00 O ATOM 856 CB SER A 57 71.823 -8.379 -12.809 1.00 0.00 C ATOM 857 OG SER A 57 72.268 -9.536 -13.502 1.00 0.00 O ATOM 0 H SER A 57 71.907 -6.045 -12.030 1.00 0.00 H new ATOM 0 HA SER A 57 72.994 -8.474 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 57 70.941 -8.616 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.530 -7.607 -13.520 1.00 0.00 H new ATOM 0 HG SER A 57 71.549 -9.868 -14.080 1.00 0.00 H new ATOM 863 N GLY A 58 74.601 -6.935 -13.416 1.00 0.00 N ATOM 864 CA GLY A 58 75.872 -6.901 -14.130 1.00 0.00 C ATOM 865 C GLY A 58 77.025 -7.219 -13.185 1.00 0.00 C ATOM 866 O GLY A 58 77.878 -8.054 -13.485 1.00 0.00 O ATOM 0 H GLY A 58 74.003 -6.124 -13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.855 -7.621 -14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.020 -5.917 -14.575 1.00 0.00 H new ATOM 870 N VAL A 59 77.062 -6.521 -12.053 1.00 0.00 N ATOM 871 CA VAL A 59 78.130 -6.715 -11.078 1.00 0.00 C ATOM 872 C VAL A 59 77.717 -7.772 -10.056 1.00 0.00 C ATOM 873 O VAL A 59 76.574 -7.755 -9.597 1.00 0.00 O ATOM 874 CB VAL A 59 78.424 -5.396 -10.359 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.700 -4.309 -11.398 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.229 -4.983 -9.497 1.00 0.00 C ATOM 0 H VAL A 59 76.369 -5.820 -11.790 1.00 0.00 H new ATOM 0 HA VAL A 59 79.027 -7.050 -11.599 1.00 0.00 H new ATOM 0 HB VAL A 59 79.294 -5.527 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.910 -3.367 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.560 -4.595 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.827 -4.189 -12.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.452 -4.043 -8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.351 -4.855 -10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.031 -5.756 -8.755 1.00 0.00 H new ATOM 886 N PRO A 60 78.596 -8.652 -9.645 1.00 0.00 N ATOM 887 CA PRO A 60 78.213 -9.742 -8.704 1.00 0.00 C ATOM 888 C PRO A 60 77.636 -9.160 -7.417 1.00 0.00 C ATOM 889 O PRO A 60 78.150 -8.167 -6.907 1.00 0.00 O ATOM 890 CB PRO A 60 79.514 -10.506 -8.421 1.00 0.00 C ATOM 891 CG PRO A 60 80.598 -9.886 -9.247 1.00 0.00 C ATOM 892 CD PRO A 60 79.966 -8.827 -10.156 1.00 0.00 C ATOM 0 HA PRO A 60 77.445 -10.392 -9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.764 -10.455 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 60 79.400 -11.561 -8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.353 -9.433 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.102 -10.646 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.524 -7.891 -10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.960 -9.153 -11.196 1.00 0.00 H new ATOM 900 N ASP A 61 76.555 -9.749 -6.916 1.00 0.00 N ATOM 901 CA ASP A 61 75.958 -9.282 -5.671 1.00 0.00 C ATOM 902 C ASP A 61 76.918 -9.436 -4.495 1.00 0.00 C ATOM 903 O ASP A 61 76.509 -9.305 -3.342 1.00 0.00 O ATOM 904 CB ASP A 61 74.644 -10.017 -5.389 1.00 0.00 C ATOM 905 CG ASP A 61 74.821 -11.516 -5.598 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.044 -11.916 -6.729 1.00 0.00 O ATOM 907 OD2 ASP A 61 74.731 -12.240 -4.621 1.00 0.00 O ATOM 0 H ASP A 61 76.079 -10.542 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 61 75.745 -8.220 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.322 -9.821 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.861 -9.641 -6.047 1.00 0.00 H new ATOM 912 N ARG A 62 78.103 -9.971 -4.772 1.00 0.00 N ATOM 913 CA ARG A 62 79.076 -10.255 -3.723 1.00 0.00 C ATOM 914 C ARG A 62 79.081 -9.165 -2.655 1.00 0.00 C ATOM 915 O ARG A 62 79.360 -9.445 -1.490 1.00 0.00 O ATOM 916 CB ARG A 62 80.475 -10.378 -4.336 1.00 0.00 C ATOM 917 CG ARG A 62 80.645 -11.748 -4.995 1.00 0.00 C ATOM 918 CD ARG A 62 81.933 -11.753 -5.823 1.00 0.00 C ATOM 919 NE ARG A 62 83.084 -11.538 -4.953 1.00 0.00 N ATOM 920 CZ ARG A 62 83.577 -10.321 -4.742 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.947 -9.585 -5.754 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.597 -9.831 -3.532 1.00 0.00 N ATOM 0 H ARG A 62 78.412 -10.216 -5.713 1.00 0.00 H new ATOM 0 HA ARG A 62 78.794 -11.194 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.627 -9.590 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 62 81.232 -10.242 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.684 -12.528 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 62 79.788 -11.967 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.035 -12.703 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.890 -10.973 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 62 83.520 -12.339 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.858 -9.943 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.325 -8.651 -5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.235 -10.381 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 62 83.974 -8.898 -3.366 1.00 0.00 H new ATOM 936 N PHE A 63 78.660 -7.958 -3.023 1.00 0.00 N ATOM 937 CA PHE A 63 78.657 -6.842 -2.083 1.00 0.00 C ATOM 938 C PHE A 63 77.329 -6.788 -1.342 1.00 0.00 C ATOM 939 O PHE A 63 76.276 -7.040 -1.927 1.00 0.00 O ATOM 940 CB PHE A 63 78.869 -5.529 -2.839 1.00 0.00 C ATOM 941 CG PHE A 63 79.989 -5.715 -3.833 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.727 -6.399 -5.024 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.266 -5.200 -3.584 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.722 -6.508 -6.002 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.278 -5.360 -4.539 1.00 0.00 C ATOM 946 CZ PHE A 63 82.014 -6.042 -5.734 1.00 0.00 C ATOM 0 H PHE A 63 78.319 -7.729 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 63 79.464 -6.984 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.953 -5.237 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.112 -4.727 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.757 -6.843 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.470 -4.681 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.494 -6.950 -6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.263 -4.957 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.807 -6.208 -6.448 1.00 0.00 H new ATOM 956 N SER A 64 77.387 -6.473 -0.052 1.00 0.00 N ATOM 957 CA SER A 64 76.170 -6.371 0.747 1.00 0.00 C ATOM 958 C SER A 64 76.095 -5.026 1.455 1.00 0.00 C ATOM 959 O SER A 64 76.754 -4.816 2.466 1.00 0.00 O ATOM 960 CB SER A 64 76.114 -7.506 1.771 1.00 0.00 C ATOM 961 OG SER A 64 74.783 -7.678 2.236 1.00 0.00 O ATOM 0 H SER A 64 78.251 -6.286 0.457 1.00 0.00 H new ATOM 0 HA SER A 64 75.315 -6.453 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.472 -8.431 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.774 -7.283 2.609 1.00 0.00 H new ATOM 0 HG SER A 64 74.757 -8.408 2.890 1.00 0.00 H new ATOM 967 N GLY A 65 74.986 -4.353 1.193 1.00 0.00 N ATOM 968 CA GLY A 65 74.697 -3.054 1.784 1.00 0.00 C ATOM 969 C GLY A 65 73.671 -3.193 2.905 1.00 0.00 C ATOM 970 O GLY A 65 72.553 -3.651 2.669 1.00 0.00 O ATOM 0 H GLY A 65 74.259 -4.692 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.614 -2.614 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.319 -2.376 1.019 1.00 0.00 H new ATOM 974 N SER A 66 74.061 -2.851 4.130 1.00 0.00 N ATOM 975 CA SER A 66 73.159 -3.002 5.267 1.00 0.00 C ATOM 976 C SER A 66 73.516 -2.015 6.374 1.00 0.00 C ATOM 977 O SER A 66 74.515 -1.301 6.285 1.00 0.00 O ATOM 978 CB SER A 66 73.251 -4.427 5.816 1.00 0.00 C ATOM 979 OG SER A 66 74.336 -4.508 6.728 1.00 0.00 O ATOM 0 H SER A 66 74.981 -2.473 4.359 1.00 0.00 H new ATOM 0 HA SER A 66 72.143 -2.801 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.320 -4.698 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.393 -5.135 5.000 1.00 0.00 H new ATOM 0 HG SER A 66 75.081 -3.963 6.399 1.00 0.00 H new ATOM 985 N ILE A 67 72.611 -1.874 7.338 1.00 0.00 N ATOM 986 CA ILE A 67 72.798 -0.930 8.434 1.00 0.00 C ATOM 987 C ILE A 67 72.126 -1.436 9.707 1.00 0.00 C ATOM 988 O ILE A 67 71.486 -2.488 9.690 1.00 0.00 O ATOM 989 CB ILE A 67 72.206 0.429 8.053 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.739 0.267 7.637 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.993 1.027 6.885 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.827 -0.014 8.836 1.00 0.00 C ATOM 0 H ILE A 67 71.740 -2.403 7.382 1.00 0.00 H new ATOM 0 HA ILE A 67 73.867 -0.828 8.620 1.00 0.00 H new ATOM 0 HB ILE A 67 72.267 1.091 8.916 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.404 1.173 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.654 -0.549 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.568 1.994 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 67 74.035 1.157 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.937 0.356 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.798 -0.121 8.493 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.144 -0.934 9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.890 0.814 9.543 1.00 0.00 H new ATOM 1004 N ASP A 68 72.561 -0.885 10.836 1.00 0.00 N ATOM 1005 CA ASP A 68 71.971 -1.206 12.134 1.00 0.00 C ATOM 1006 C ASP A 68 71.003 -0.130 12.621 1.00 0.00 C ATOM 1007 O ASP A 68 71.221 1.061 12.400 1.00 0.00 O ATOM 1008 CB ASP A 68 73.098 -1.434 13.140 1.00 0.00 C ATOM 1009 CG ASP A 68 73.906 -2.649 12.697 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.375 -3.440 11.934 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.089 -2.684 12.992 1.00 0.00 O ATOM 0 H ASP A 68 73.324 -0.210 10.879 1.00 0.00 H new ATOM 0 HA ASP A 68 71.377 -2.114 12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.738 -0.554 13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.688 -1.595 14.137 1.00 0.00 H new ATOM 1016 N SER A 69 70.049 -0.536 13.453 1.00 0.00 N ATOM 1017 CA SER A 69 69.118 0.412 14.056 1.00 0.00 C ATOM 1018 C SER A 69 69.828 1.329 15.050 1.00 0.00 C ATOM 1019 O SER A 69 69.215 2.233 15.618 1.00 0.00 O ATOM 1020 CB SER A 69 67.995 -0.342 14.770 1.00 0.00 C ATOM 1021 OG SER A 69 68.534 -1.053 15.875 1.00 0.00 O ATOM 0 H SER A 69 69.900 -1.508 13.724 1.00 0.00 H new ATOM 0 HA SER A 69 68.700 1.026 13.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.231 0.357 15.111 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.510 -1.033 14.080 1.00 0.00 H new ATOM 0 HG SER A 69 67.816 -1.536 16.335 1.00 0.00 H new ATOM 1027 N SER A 70 71.096 1.036 15.324 1.00 0.00 N ATOM 1028 CA SER A 70 71.872 1.841 16.261 1.00 0.00 C ATOM 1029 C SER A 70 72.006 3.277 15.764 1.00 0.00 C ATOM 1030 O SER A 70 71.915 4.221 16.549 1.00 0.00 O ATOM 1031 CB SER A 70 73.259 1.222 16.455 1.00 0.00 C ATOM 1032 OG SER A 70 73.168 0.139 17.369 1.00 0.00 O ATOM 0 H SER A 70 71.605 0.253 14.914 1.00 0.00 H new ATOM 0 HA SER A 70 71.348 1.858 17.216 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.651 0.874 15.499 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.955 1.972 16.831 1.00 0.00 H new ATOM 0 HG SER A 70 74.055 -0.260 17.493 1.00 0.00 H new ATOM 1038 N SER A 71 72.269 3.434 14.471 1.00 0.00 N ATOM 1039 CA SER A 71 72.437 4.759 13.885 1.00 0.00 C ATOM 1040 C SER A 71 73.845 5.285 14.149 1.00 0.00 C ATOM 1041 O SER A 71 74.041 6.484 14.351 1.00 0.00 O ATOM 1042 CB SER A 71 71.386 5.734 14.423 1.00 0.00 C ATOM 1043 OG SER A 71 70.197 5.018 14.720 1.00 0.00 O ATOM 0 H SER A 71 72.370 2.663 13.811 1.00 0.00 H new ATOM 0 HA SER A 71 72.296 4.674 12.807 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.758 6.232 15.318 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.183 6.512 13.687 1.00 0.00 H new ATOM 0 HG SER A 71 69.521 5.637 15.067 1.00 0.00 H new ATOM 1049 N ASN A 72 74.792 4.364 14.311 1.00 0.00 N ATOM 1050 CA ASN A 72 76.163 4.721 14.662 1.00 0.00 C ATOM 1051 C ASN A 72 77.059 4.706 13.428 1.00 0.00 C ATOM 1052 O ASN A 72 77.922 5.570 13.273 1.00 0.00 O ATOM 1053 CB ASN A 72 76.701 3.730 15.697 1.00 0.00 C ATOM 1054 CG ASN A 72 77.923 4.311 16.400 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.787 5.128 17.311 1.00 0.00 O ATOM 1056 ND2 ASN A 72 79.115 3.941 16.020 1.00 0.00 N ATOM 0 H ASN A 72 74.634 3.362 14.204 1.00 0.00 H new ATOM 0 HA ASN A 72 76.163 5.728 15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.926 3.502 16.429 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.965 2.792 15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.940 4.329 16.478 1.00 0.00 H new ATOM 0 HD22 ASN A 72 79.222 3.264 15.265 1.00 0.00 H new ATOM 1063 N SER A 73 76.833 3.743 12.540 1.00 0.00 N ATOM 1064 CA SER A 73 77.610 3.675 11.307 1.00 0.00 C ATOM 1065 C SER A 73 76.966 2.719 10.305 1.00 0.00 C ATOM 1066 O SER A 73 76.276 1.782 10.708 1.00 0.00 O ATOM 1067 CB SER A 73 79.036 3.221 11.626 1.00 0.00 C ATOM 1068 OG SER A 73 79.028 1.853 12.008 1.00 0.00 O ATOM 0 H SER A 73 76.131 3.011 12.647 1.00 0.00 H new ATOM 0 HA SER A 73 77.635 4.667 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.676 3.362 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.451 3.830 12.429 1.00 0.00 H new ATOM 0 HG SER A 73 79.942 1.564 12.210 1.00 0.00 H new ATOM 1074 N ALA A 74 77.483 2.706 9.079 1.00 0.00 N ATOM 1075 CA ALA A 74 76.918 1.849 8.037 1.00 0.00 C ATOM 1076 C ALA A 74 77.863 0.680 7.772 1.00 0.00 C ATOM 1077 O ALA A 74 79.081 0.855 7.729 1.00 0.00 O ATOM 1078 CB ALA A 74 76.708 2.666 6.755 1.00 0.00 C ATOM 0 H ALA A 74 78.280 3.270 8.784 1.00 0.00 H new ATOM 0 HA ALA A 74 75.955 1.458 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.287 2.025 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.023 3.490 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.665 3.064 6.416 1.00 0.00 H new ATOM 1084 N SER A 75 77.287 -0.516 7.667 1.00 0.00 N ATOM 1085 CA SER A 75 78.069 -1.752 7.571 1.00 0.00 C ATOM 1086 C SER A 75 77.623 -2.647 6.417 1.00 0.00 C ATOM 1087 O SER A 75 76.437 -2.623 6.099 1.00 0.00 O ATOM 1088 CB SER A 75 77.900 -2.574 8.849 1.00 0.00 C ATOM 1089 OG SER A 75 78.021 -1.726 9.980 1.00 0.00 O ATOM 0 H SER A 75 76.277 -0.658 7.646 1.00 0.00 H new ATOM 0 HA SER A 75 79.102 -1.443 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.926 -3.064 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.653 -3.361 8.890 1.00 0.00 H new ATOM 0 HG SER A 75 77.911 -2.254 10.798 1.00 0.00 H new ATOM 1095 N LEU A 76 78.539 -2.820 5.470 1.00 0.00 N ATOM 1096 CA LEU A 76 78.422 -3.806 4.397 1.00 0.00 C ATOM 1097 C LEU A 76 79.146 -5.136 4.617 1.00 0.00 C ATOM 1098 O LEU A 76 80.308 -5.134 5.009 1.00 0.00 O ATOM 1099 CB LEU A 76 78.748 -3.106 3.075 1.00 0.00 C ATOM 1100 CG LEU A 76 79.356 -4.074 2.055 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.107 -3.517 0.650 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.863 -4.210 2.319 1.00 0.00 C ATOM 0 H LEU A 76 79.398 -2.271 5.424 1.00 0.00 H new ATOM 0 HA LEU A 76 77.391 -4.159 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.840 -2.666 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.444 -2.287 3.259 1.00 0.00 H new ATOM 0 HG LEU A 76 78.898 -5.059 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.533 -4.194 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.034 -3.423 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.576 -2.537 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.299 -4.898 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.339 -3.234 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.023 -4.594 3.326 1.00 0.00 H new ATOM 1114 N THR A 77 78.546 -6.260 4.223 1.00 0.00 N ATOM 1115 CA THR A 77 79.292 -7.507 4.042 1.00 0.00 C ATOM 1116 C THR A 77 79.578 -7.824 2.572 1.00 0.00 C ATOM 1117 O THR A 77 78.668 -8.155 1.815 1.00 0.00 O ATOM 1118 CB THR A 77 78.460 -8.636 4.649 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.344 -8.437 6.050 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.100 -10.001 4.380 1.00 0.00 C ATOM 0 H THR A 77 77.548 -6.333 4.023 1.00 0.00 H new ATOM 0 HA THR A 77 80.260 -7.402 4.533 1.00 0.00 H new ATOM 0 HB THR A 77 77.474 -8.622 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.182 -8.068 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.486 -10.785 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.174 -10.163 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.097 -10.029 4.820 1.00 0.00 H new ATOM 1128 N ILE A 78 80.849 -8.048 2.248 1.00 0.00 N ATOM 1129 CA ILE A 78 81.247 -8.508 0.916 1.00 0.00 C ATOM 1130 C ILE A 78 81.624 -9.987 0.971 1.00 0.00 C ATOM 1131 O ILE A 78 82.737 -10.341 1.359 1.00 0.00 O ATOM 1132 CB ILE A 78 82.413 -7.652 0.397 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.878 -6.375 -0.270 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.281 -8.415 -0.612 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.886 -5.238 -0.096 1.00 0.00 C ATOM 0 H ILE A 78 81.628 -7.918 2.894 1.00 0.00 H new ATOM 0 HA ILE A 78 80.412 -8.397 0.224 1.00 0.00 H new ATOM 0 HB ILE A 78 83.031 -7.397 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.699 -6.555 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.922 -6.096 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.093 -7.772 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.697 -9.303 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.671 -8.712 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.502 -4.335 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.043 -5.051 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.832 -5.517 -0.559 1.00 0.00 H new ATOM 1147 N SER A 79 80.724 -10.841 0.491 1.00 0.00 N ATOM 1148 CA SER A 79 80.974 -12.280 0.456 1.00 0.00 C ATOM 1149 C SER A 79 81.429 -12.718 -0.932 1.00 0.00 C ATOM 1150 O SER A 79 81.139 -12.057 -1.929 1.00 0.00 O ATOM 1151 CB SER A 79 79.700 -13.034 0.847 1.00 0.00 C ATOM 1152 OG SER A 79 79.028 -12.321 1.875 1.00 0.00 O ATOM 0 H SER A 79 79.815 -10.562 0.121 1.00 0.00 H new ATOM 0 HA SER A 79 81.768 -12.511 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.049 -13.144 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 79 79.949 -14.039 1.189 1.00 0.00 H new ATOM 0 HG SER A 79 78.211 -12.801 2.126 1.00 0.00 H new ATOM 1158 N GLY A 80 82.171 -13.820 -0.984 1.00 0.00 N ATOM 1159 CA GLY A 80 82.693 -14.324 -2.249 1.00 0.00 C ATOM 1160 C GLY A 80 83.913 -13.521 -2.689 1.00 0.00 C ATOM 1161 O GLY A 80 84.347 -13.613 -3.837 1.00 0.00 O ATOM 0 H GLY A 80 82.423 -14.379 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 80 82.962 -15.375 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 80 81.920 -14.268 -3.015 1.00 0.00 H new ATOM 1165 N LEU A 81 84.498 -12.789 -1.746 1.00 0.00 N ATOM 1166 CA LEU A 81 85.686 -11.996 -2.035 1.00 0.00 C ATOM 1167 C LEU A 81 86.731 -12.848 -2.746 1.00 0.00 C ATOM 1168 O LEU A 81 87.065 -13.944 -2.299 1.00 0.00 O ATOM 1169 CB LEU A 81 86.253 -11.439 -0.726 1.00 0.00 C ATOM 1170 CG LEU A 81 87.630 -10.792 -0.945 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.720 -9.459 -0.198 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.741 -11.718 -0.440 1.00 0.00 C ATOM 0 H LEU A 81 84.171 -12.729 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 81 85.417 -11.169 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.564 -10.702 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.338 -12.242 0.007 1.00 0.00 H new ATOM 0 HG LEU A 81 87.755 -10.620 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.701 -9.015 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.948 -8.783 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.574 -9.629 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.710 -11.246 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.602 -11.906 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.702 -12.662 -0.983 1.00 0.00 H new ATOM 1184 N LYS A 82 87.271 -12.306 -3.834 1.00 0.00 N ATOM 1185 CA LYS A 82 88.295 -12.999 -4.606 1.00 0.00 C ATOM 1186 C LYS A 82 89.236 -11.985 -5.243 1.00 0.00 C ATOM 1187 O LYS A 82 88.966 -10.784 -5.239 1.00 0.00 O ATOM 1188 CB LYS A 82 87.633 -13.872 -5.682 1.00 0.00 C ATOM 1189 CG LYS A 82 87.710 -15.343 -5.272 1.00 0.00 C ATOM 1190 CD LYS A 82 86.780 -16.189 -6.144 1.00 0.00 C ATOM 1191 CE LYS A 82 86.823 -17.643 -5.669 1.00 0.00 C ATOM 1192 NZ LYS A 82 85.811 -18.442 -6.416 1.00 0.00 N ATOM 0 H LYS A 82 87.016 -11.389 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 82 88.874 -13.642 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.593 -13.576 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.131 -13.725 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.735 -15.701 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 82 87.433 -15.450 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.761 -15.806 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.086 -16.127 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.818 -18.059 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 82 86.623 -17.693 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 85.841 -19.430 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 84.863 -18.050 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.021 -18.405 -7.434 1.00 0.00 H new ATOM 1206 N THR A 83 90.264 -12.501 -5.909 1.00 0.00 N ATOM 1207 CA THR A 83 91.165 -11.642 -6.666 1.00 0.00 C ATOM 1208 C THR A 83 90.354 -10.653 -7.494 1.00 0.00 C ATOM 1209 O THR A 83 90.897 -9.686 -8.030 1.00 0.00 O ATOM 1210 CB THR A 83 92.073 -12.483 -7.567 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.537 -11.685 -8.645 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.300 -13.682 -8.117 1.00 0.00 C ATOM 0 H THR A 83 90.491 -13.495 -5.940 1.00 0.00 H new ATOM 0 HA THR A 83 91.797 -11.087 -5.972 1.00 0.00 H new ATOM 0 HB THR A 83 92.921 -12.843 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.373 -10.739 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.954 -14.274 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.947 -14.298 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.447 -13.330 -8.697 1.00 0.00 H new ATOM 1220 N GLU A 84 89.080 -10.980 -7.698 1.00 0.00 N ATOM 1221 CA GLU A 84 88.206 -10.100 -8.466 1.00 0.00 C ATOM 1222 C GLU A 84 87.786 -8.882 -7.647 1.00 0.00 C ATOM 1223 O GLU A 84 87.702 -7.773 -8.174 1.00 0.00 O ATOM 1224 CB GLU A 84 86.962 -10.866 -8.918 1.00 0.00 C ATOM 1225 CG GLU A 84 87.370 -11.969 -9.897 1.00 0.00 C ATOM 1226 CD GLU A 84 86.170 -12.851 -10.227 1.00 0.00 C ATOM 1227 OE1 GLU A 84 85.082 -12.532 -9.777 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.354 -13.820 -10.944 1.00 0.00 O ATOM 0 H GLU A 84 88.637 -11.830 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 84 88.762 -9.752 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.455 -11.299 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.256 -10.186 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.767 -11.526 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.167 -12.574 -9.464 1.00 0.00 H new ATOM 1235 N ASP A 85 87.560 -9.085 -6.353 1.00 0.00 N ATOM 1236 CA ASP A 85 87.133 -7.999 -5.476 1.00 0.00 C ATOM 1237 C ASP A 85 88.305 -7.067 -5.183 1.00 0.00 C ATOM 1238 O ASP A 85 88.117 -5.949 -4.705 1.00 0.00 O ATOM 1239 CB ASP A 85 86.600 -8.598 -4.170 1.00 0.00 C ATOM 1240 CG ASP A 85 85.580 -7.669 -3.520 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.593 -7.362 -4.168 1.00 0.00 O ATOM 1242 OD2 ASP A 85 85.818 -7.252 -2.398 1.00 0.00 O ATOM 0 H ASP A 85 87.665 -9.987 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 85 86.348 -7.422 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.140 -9.566 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.427 -8.774 -3.482 1.00 0.00 H new ATOM 1247 N GLU A 86 89.504 -7.499 -5.562 1.00 0.00 N ATOM 1248 CA GLU A 86 90.698 -6.687 -5.363 1.00 0.00 C ATOM 1249 C GLU A 86 90.550 -5.337 -6.054 1.00 0.00 C ATOM 1250 O GLU A 86 90.295 -5.268 -7.256 1.00 0.00 O ATOM 1251 CB GLU A 86 91.920 -7.416 -5.925 1.00 0.00 C ATOM 1252 CG GLU A 86 93.193 -6.671 -5.516 1.00 0.00 C ATOM 1253 CD GLU A 86 94.424 -7.402 -6.044 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.579 -8.571 -5.729 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.212 -6.770 -6.729 1.00 0.00 O ATOM 0 H GLU A 86 89.673 -8.402 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 86 90.829 -6.522 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.949 -8.440 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.854 -7.475 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.169 -5.654 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.245 -6.594 -4.430 1.00 0.00 H new ATOM 1262 N ALA A 87 90.706 -4.266 -5.281 1.00 0.00 N ATOM 1263 CA ALA A 87 90.643 -2.915 -5.826 1.00 0.00 C ATOM 1264 C ALA A 87 90.411 -1.910 -4.700 1.00 0.00 C ATOM 1265 O ALA A 87 90.487 -2.257 -3.521 1.00 0.00 O ATOM 1266 CB ALA A 87 89.524 -2.806 -6.869 1.00 0.00 C ATOM 0 H ALA A 87 90.877 -4.308 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 87 91.592 -2.692 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.493 -1.791 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.715 -3.506 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.568 -3.044 -6.403 1.00 0.00 H new ATOM 1272 N ASP A 88 90.243 -0.644 -5.074 1.00 0.00 N ATOM 1273 CA ASP A 88 89.940 0.414 -4.116 1.00 0.00 C ATOM 1274 C ASP A 88 88.433 0.550 -3.926 1.00 0.00 C ATOM 1275 O ASP A 88 87.664 0.181 -4.812 1.00 0.00 O ATOM 1276 CB ASP A 88 90.525 1.738 -4.613 1.00 0.00 C ATOM 1277 CG ASP A 88 92.046 1.650 -4.654 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.627 1.286 -3.646 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.608 1.932 -5.700 1.00 0.00 O ATOM 0 H ASP A 88 90.312 -0.325 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 88 90.387 0.157 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.138 1.966 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.217 2.551 -3.956 1.00 0.00 H new ATOM 1284 N TYR A 89 88.019 0.971 -2.734 1.00 0.00 N ATOM 1285 CA TYR A 89 86.606 1.146 -2.410 1.00 0.00 C ATOM 1286 C TYR A 89 86.331 2.582 -1.974 1.00 0.00 C ATOM 1287 O TYR A 89 87.211 3.247 -1.429 1.00 0.00 O ATOM 1288 CB TYR A 89 86.219 0.191 -1.278 1.00 0.00 C ATOM 1289 CG TYR A 89 86.148 -1.222 -1.806 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.312 -1.863 -2.243 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.909 -1.862 -1.924 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.244 -3.162 -2.756 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.843 -3.168 -2.421 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.008 -3.808 -2.858 1.00 0.00 C ATOM 1295 OH TYR A 89 85.942 -5.098 -3.341 1.00 0.00 O ATOM 0 H TYR A 89 88.652 1.200 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 89 86.014 0.927 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.950 0.252 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.256 0.481 -0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.263 -1.355 -2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.005 -1.348 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.145 -3.666 -3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.894 -3.682 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 89 86.174 -5.727 -2.626 1.00 0.00 H new ATOM 1305 N TYR A 90 85.105 3.043 -2.205 1.00 0.00 N ATOM 1306 CA TYR A 90 84.704 4.402 -1.855 1.00 0.00 C ATOM 1307 C TYR A 90 83.210 4.432 -1.538 1.00 0.00 C ATOM 1308 O TYR A 90 82.426 3.836 -2.277 1.00 0.00 O ATOM 1309 CB TYR A 90 85.011 5.337 -3.029 1.00 0.00 C ATOM 1310 CG TYR A 90 86.455 5.177 -3.444 1.00 0.00 C ATOM 1311 CD1 TYR A 90 87.453 5.923 -2.803 1.00 0.00 C ATOM 1312 CD2 TYR A 90 86.796 4.323 -4.500 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.792 5.780 -3.184 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.137 4.170 -4.874 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.136 4.895 -4.212 1.00 0.00 C ATOM 1316 OH TYR A 90 90.453 4.776 -4.603 1.00 0.00 O ATOM 0 H TYR A 90 84.366 2.489 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 90 85.257 4.733 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.354 5.110 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.817 6.371 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 90 87.188 6.610 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.024 3.782 -5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 90 89.560 6.353 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 90 88.401 3.493 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 90 91.039 4.956 -3.838 1.00 0.00 H new ATOM 1326 N CYS A 91 82.808 5.146 -0.483 1.00 0.00 N ATOM 1327 CA CYS A 91 81.398 5.211 -0.093 1.00 0.00 C ATOM 1328 C CYS A 91 80.869 6.644 -0.153 1.00 0.00 C ATOM 1329 O CYS A 91 81.600 7.591 0.138 1.00 0.00 O ATOM 1330 CB CYS A 91 81.127 4.535 1.268 1.00 0.00 C ATOM 1331 SG CYS A 91 82.140 5.099 2.672 1.00 0.00 S ATOM 0 H CYS A 91 83.436 5.685 0.114 1.00 0.00 H new ATOM 0 HA CYS A 91 80.836 4.632 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.078 4.687 1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 91 81.274 3.461 1.151 1.00 0.00 H new ATOM 1336 N GLN A 92 79.627 6.811 -0.619 1.00 0.00 N ATOM 1337 CA GLN A 92 79.022 8.136 -0.751 1.00 0.00 C ATOM 1338 C GLN A 92 77.790 8.224 0.144 1.00 0.00 C ATOM 1339 O GLN A 92 76.955 7.320 0.153 1.00 0.00 O ATOM 1340 CB GLN A 92 78.602 8.431 -2.198 1.00 0.00 C ATOM 1341 CG GLN A 92 79.632 7.900 -3.203 1.00 0.00 C ATOM 1342 CD GLN A 92 79.641 8.753 -4.470 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.674 9.981 -4.393 1.00 0.00 O ATOM 1344 NE2 GLN A 92 79.614 8.175 -5.639 1.00 0.00 N ATOM 0 H GLN A 92 79.022 6.043 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 92 79.770 8.871 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 92 77.631 7.976 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.483 9.506 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.624 7.902 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 92 79.400 6.866 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 92 79.587 7.157 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 92 79.620 8.741 -6.488 1.00 0.00 H new ATOM 1353 N SER A 93 77.667 9.330 0.872 1.00 0.00 N ATOM 1354 CA SER A 93 76.554 9.523 1.797 1.00 0.00 C ATOM 1355 C SER A 93 75.974 10.927 1.654 1.00 0.00 C ATOM 1356 O SER A 93 76.704 11.888 1.413 1.00 0.00 O ATOM 1357 CB SER A 93 77.025 9.313 3.236 1.00 0.00 C ATOM 1358 OG SER A 93 75.899 9.322 4.100 1.00 0.00 O ATOM 0 H SER A 93 78.326 10.108 0.839 1.00 0.00 H new ATOM 0 HA SER A 93 75.780 8.794 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 93 77.558 8.366 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.724 10.099 3.521 1.00 0.00 H new ATOM 0 HG SER A 93 76.195 9.186 5.024 1.00 0.00 H new ATOM 1364 N TYR A 94 74.666 11.041 1.860 1.00 0.00 N ATOM 1365 CA TYR A 94 73.987 12.329 1.767 1.00 0.00 C ATOM 1366 C TYR A 94 72.695 12.279 2.577 1.00 0.00 C ATOM 1367 O TYR A 94 71.884 11.368 2.407 1.00 0.00 O ATOM 1368 CB TYR A 94 73.704 12.692 0.301 1.00 0.00 C ATOM 1369 CG TYR A 94 74.072 11.543 -0.609 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.320 10.362 -0.578 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.232 11.608 -1.392 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.681 9.279 -1.390 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.584 10.533 -2.216 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.809 9.366 -2.215 1.00 0.00 C ATOM 1375 OH TYR A 94 75.137 8.316 -3.049 1.00 0.00 O ATOM 0 H TYR A 94 74.055 10.258 2.092 1.00 0.00 H new ATOM 0 HA TYR A 94 74.633 13.105 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.649 12.938 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.272 13.580 0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.461 10.286 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.856 12.489 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 94 73.089 8.376 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.453 10.603 -2.853 1.00 0.00 H new ATOM 0 HH TYR A 94 75.787 8.619 -3.716 1.00 0.00 H new ATOM 1482 N PHE A 102 81.558 12.251 -0.105 1.00 0.00 N ATOM 1483 CA PHE A 102 82.007 10.909 -0.457 1.00 0.00 C ATOM 1484 C PHE A 102 83.520 10.799 -0.305 1.00 0.00 C ATOM 1485 O PHE A 102 84.222 11.809 -0.274 1.00 0.00 O ATOM 1486 CB PHE A 102 81.618 10.594 -1.902 1.00 0.00 C ATOM 1487 CG PHE A 102 82.154 11.672 -2.813 1.00 0.00 C ATOM 1488 CD1 PHE A 102 81.380 12.805 -3.087 1.00 0.00 C ATOM 1489 CD2 PHE A 102 83.414 11.524 -3.405 1.00 0.00 C ATOM 1490 CE1 PHE A 102 81.867 13.793 -3.950 1.00 0.00 C ATOM 1491 CE2 PHE A 102 83.899 12.511 -4.271 1.00 0.00 C ATOM 1492 CZ PHE A 102 83.120 13.639 -4.554 1.00 0.00 C ATOM 0 HA PHE A 102 81.529 10.195 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.018 9.623 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 102 80.534 10.532 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 102 80.407 12.917 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 102 84.011 10.649 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 102 81.276 14.674 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 102 84.875 12.402 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 102 83.486 14.390 -5.238 1.00 0.00 H new ATOM 1502 N GLY A 103 84.019 9.568 -0.217 1.00 0.00 N ATOM 1503 CA GLY A 103 85.458 9.339 -0.112 1.00 0.00 C ATOM 1504 C GLY A 103 85.773 8.353 1.009 1.00 0.00 C ATOM 1505 O GLY A 103 85.150 7.297 1.109 1.00 0.00 O ATOM 0 H GLY A 103 83.453 8.719 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.839 8.954 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 103 85.968 10.284 0.076 1.00 0.00 H new ATOM 1509 N GLY A 104 86.730 8.712 1.860 1.00 0.00 N ATOM 1510 CA GLY A 104 87.117 7.845 2.967 1.00 0.00 C ATOM 1511 C GLY A 104 87.353 6.420 2.477 1.00 0.00 C ATOM 1512 O GLY A 104 87.269 5.460 3.243 1.00 0.00 O ATOM 0 H GLY A 104 87.247 9.589 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 104 88.023 8.228 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 104 86.337 7.849 3.729 1.00 0.00 H new ATOM 1516 N GLY A 105 87.667 6.294 1.192 1.00 0.00 N ATOM 1517 CA GLY A 105 87.829 4.981 0.581 1.00 0.00 C ATOM 1518 C GLY A 105 88.869 4.146 1.318 1.00 0.00 C ATOM 1519 O GLY A 105 89.581 4.647 2.188 1.00 0.00 O ATOM 0 H GLY A 105 87.813 7.079 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 105 86.873 4.457 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 105 88.127 5.098 -0.461 1.00 0.00 H new ATOM 1523 N THR A 106 88.864 2.845 1.044 1.00 0.00 N ATOM 1524 CA THR A 106 89.774 1.908 1.697 1.00 0.00 C ATOM 1525 C THR A 106 90.441 1.013 0.659 1.00 0.00 C ATOM 1526 O THR A 106 89.776 0.472 -0.226 1.00 0.00 O ATOM 1527 CB THR A 106 88.995 1.055 2.700 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.561 1.878 3.772 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.882 -0.065 3.249 1.00 0.00 C ATOM 0 H THR A 106 88.234 2.412 0.368 1.00 0.00 H new ATOM 0 HA THR A 106 90.547 2.468 2.223 1.00 0.00 H new ATOM 0 HB THR A 106 88.136 0.610 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.288 1.980 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 106 89.314 -0.663 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.217 -0.699 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.748 0.369 3.749 1.00 0.00 H new ATOM 1537 N LYS A 107 91.764 0.904 0.741 1.00 0.00 N ATOM 1538 CA LYS A 107 92.507 0.038 -0.166 1.00 0.00 C ATOM 1539 C LYS A 107 92.380 -1.419 0.263 1.00 0.00 C ATOM 1540 O LYS A 107 92.969 -1.834 1.261 1.00 0.00 O ATOM 1541 CB LYS A 107 93.983 0.440 -0.174 1.00 0.00 C ATOM 1542 CG LYS A 107 94.741 -0.402 -1.203 1.00 0.00 C ATOM 1543 CD LYS A 107 96.193 0.073 -1.273 1.00 0.00 C ATOM 1544 CE LYS A 107 96.939 -0.742 -2.331 1.00 0.00 C ATOM 1545 NZ LYS A 107 98.362 -0.302 -2.389 1.00 0.00 N ATOM 0 H LYS A 107 92.339 1.401 1.421 1.00 0.00 H new ATOM 0 HA LYS A 107 92.092 0.148 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.080 1.499 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.414 0.296 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.704 -1.456 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.269 -0.313 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.229 1.134 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.673 -0.044 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.886 -1.804 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.467 -0.611 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 98.868 -0.857 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 98.404 0.707 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 98.809 -0.449 -1.461 1.00 0.00 H new ATOM 1559 N LEU A 108 91.704 -2.217 -0.558 1.00 0.00 N ATOM 1560 CA LEU A 108 91.531 -3.636 -0.271 1.00 0.00 C ATOM 1561 C LEU A 108 92.426 -4.468 -1.182 1.00 0.00 C ATOM 1562 O LEU A 108 92.344 -4.367 -2.406 1.00 0.00 O ATOM 1563 CB LEU A 108 90.071 -4.038 -0.496 1.00 0.00 C ATOM 1564 CG LEU A 108 89.829 -5.456 0.027 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.950 -5.498 1.554 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.436 -5.921 -0.404 1.00 0.00 C ATOM 0 H LEU A 108 91.268 -1.905 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 108 91.805 -3.818 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.410 -3.337 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.832 -3.988 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 108 90.583 -6.123 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.774 -6.515 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.950 -5.180 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.212 -4.829 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.259 -6.931 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.684 -5.247 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.372 -5.917 -1.492 1.00 0.00 H new ATOM 1578 N THR A 109 93.262 -5.306 -0.573 1.00 0.00 N ATOM 1579 CA THR A 109 94.166 -6.168 -1.328 1.00 0.00 C ATOM 1580 C THR A 109 93.840 -7.632 -1.060 1.00 0.00 C ATOM 1581 O THR A 109 93.879 -8.087 0.084 1.00 0.00 O ATOM 1582 CB THR A 109 95.617 -5.895 -0.924 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.871 -4.502 -1.028 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.599 -6.650 -1.829 1.00 0.00 C ATOM 0 H THR A 109 93.332 -5.406 0.440 1.00 0.00 H new ATOM 0 HA THR A 109 94.039 -5.955 -2.389 1.00 0.00 H new ATOM 0 HB THR A 109 95.759 -6.238 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.798 -4.318 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.621 -6.435 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.414 -7.721 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.461 -6.331 -2.862 1.00 0.00 H new ATOM 1592 N VAL A 110 93.589 -8.383 -2.128 1.00 0.00 N ATOM 1593 CA VAL A 110 93.299 -9.806 -1.996 1.00 0.00 C ATOM 1594 C VAL A 110 94.586 -10.617 -2.095 1.00 0.00 C ATOM 1595 O VAL A 110 95.032 -10.957 -3.190 1.00 0.00 O ATOM 1596 CB VAL A 110 92.341 -10.258 -3.099 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.972 -11.724 -2.867 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.076 -9.398 -3.077 1.00 0.00 C ATOM 0 H VAL A 110 93.580 -8.034 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 110 92.836 -9.971 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 110 92.824 -10.148 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.289 -12.055 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.875 -12.335 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.489 -11.828 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.399 -9.726 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.583 -9.500 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.343 -8.354 -3.240 1.00 0.00 H new ATOM 1608 N LEU A 111 95.119 -11.009 -0.943 1.00 0.00 N ATOM 1609 CA LEU A 111 96.337 -11.811 -0.910 1.00 0.00 C ATOM 1610 C LEU A 111 96.297 -12.905 -1.973 1.00 0.00 C ATOM 1611 O LEU A 111 95.221 -13.423 -2.221 1.00 0.00 O ATOM 1612 CB LEU A 111 96.483 -12.444 0.476 1.00 0.00 C ATOM 1613 CG LEU A 111 96.558 -11.350 1.546 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.215 -11.958 2.908 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.963 -10.746 1.616 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.328 -13.163 -2.570 1.00 0.00 O ATOM 0 H LEU A 111 94.731 -10.787 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 111 97.190 -11.164 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.637 -13.102 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.381 -13.060 0.511 1.00 0.00 H new ATOM 0 HG LEU A 111 95.850 -10.563 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.266 -11.185 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.208 -12.373 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.927 -12.750 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.989 -9.972 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.683 -11.526 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.220 -10.309 0.651 1.00 0.00 H new