USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 787 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 -106:sc= -0.0684 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.232 USER MOD Set 2.1: A 35 GLN : amide:sc= -3.91! C(o=-3.2!,f=-2.1!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 94 TYR OH : rot 79:sc= 0.692 USER MOD Set 3.1: A 37 TYR OH : rot 78:sc= 0.818 USER MOD Set 3.2: A 47 THR OG1 : rot -49:sc= 0.736! USER MOD Set 4.1: A 6 GLN : amide:sc= -10.6! C(o=-9.7!,f=-14!) USER MOD Set 4.2: A 106 THR OG1 : rot 95:sc= 0.902 USER MOD Single : A 1 ASN : amide:sc= -5.17! K(o=-5.2!,f=-0.74) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 8 HIS : no HD1:sc= -0.329! C(o=-0.33!,f=-5.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 13 SER OG : rot -150:sc= -0.988 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 25 SER OG : rot 90:sc= 0.431 USER MOD Single : A 26 SER OG : rot -140:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.82! C(o=-4.8!,f=-3.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.61! C(o=-4.6!,f=-9.5!) USER MOD Single : A 39 GLN : amide:sc= -3.82! K(o=-3.8!,f=-2.8) USER MOD Single : A 43 SER OG : rot 180:sc= -0.297 USER MOD Single : A 44 SER OG : rot 180:sc= -0.19 USER MOD Single : A 46 THR OG1 : rot 43:sc= 0.132 USER MOD Single : A 53 ASN : amide:sc= -2.02 K(o=-2,f=-0.36) USER MOD Single : A 54 GLN : amide:sc= -4.18! K(o=-4.2!,f=-3.1) 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 180:sc= 0 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= -0.51 USER MOD Single : A 72 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.61) 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 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -164:sc= -2.93! USER MOD Single : A 90 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 92 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.8!) USER MOD Single : A 93 SER OG : rot 180:sc= -1.48! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -40:sc= -0.172 USER MOD Single : A 98 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.167 (180deg=-0.884) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 80.445 20.852 7.823 1.00 0.00 N ATOM 2 CA ASN A 1 81.564 20.025 7.291 1.00 0.00 C ATOM 3 C ASN A 1 81.567 18.672 7.993 1.00 0.00 C ATOM 4 O ASN A 1 81.808 18.587 9.197 1.00 0.00 O ATOM 5 CB ASN A 1 82.888 20.751 7.538 1.00 0.00 C ATOM 6 CG ASN A 1 84.055 19.920 7.016 1.00 0.00 C ATOM 7 OD1 ASN A 1 85.206 20.350 7.095 1.00 0.00 O ATOM 8 ND2 ASN A 1 83.830 18.758 6.468 1.00 0.00 N ATOM 0 H1 ASN A 1 80.439 21.776 7.346 1.00 0.00 H new ATOM 0 H2 ASN A 1 79.542 20.367 7.649 1.00 0.00 H new ATOM 0 H3 ASN A 1 80.572 20.991 8.846 1.00 0.00 H new ATOM 0 HA ASN A 1 81.437 19.870 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 1 82.875 21.722 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 1 83.014 20.938 8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 1 84.607 18.206 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 1 82.877 18.401 6.402 1.00 0.00 H new ATOM 17 N PHE A 2 81.268 17.618 7.238 1.00 0.00 N ATOM 18 CA PHE A 2 81.226 16.263 7.781 1.00 0.00 C ATOM 19 C PHE A 2 82.332 15.414 7.164 1.00 0.00 C ATOM 20 O PHE A 2 82.898 15.784 6.135 1.00 0.00 O ATOM 21 CB PHE A 2 79.867 15.627 7.482 1.00 0.00 C ATOM 22 CG PHE A 2 78.770 16.629 7.753 1.00 0.00 C ATOM 23 CD1 PHE A 2 78.570 17.115 9.051 1.00 0.00 C ATOM 24 CD2 PHE A 2 77.955 17.079 6.706 1.00 0.00 C ATOM 25 CE1 PHE A 2 77.549 18.038 9.304 1.00 0.00 C ATOM 26 CE2 PHE A 2 76.910 17.973 6.968 1.00 0.00 C ATOM 27 CZ PHE A 2 76.707 18.455 8.266 1.00 0.00 C ATOM 0 H PHE A 2 81.050 17.677 6.243 1.00 0.00 H new ATOM 0 HA PHE A 2 81.375 16.313 8.860 1.00 0.00 H new ATOM 0 HB2 PHE A 2 79.827 15.301 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 2 79.725 14.740 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 2 79.204 16.777 9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 2 78.133 16.736 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 2 77.410 18.429 10.301 1.00 0.00 H new ATOM 0 HE2 PHE A 2 76.259 18.291 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 2 75.903 19.147 8.467 1.00 0.00 H new ATOM 37 N MET A 3 82.686 14.312 7.822 1.00 0.00 N ATOM 38 CA MET A 3 83.752 13.440 7.336 1.00 0.00 C ATOM 39 C MET A 3 83.263 11.997 7.299 1.00 0.00 C ATOM 40 O MET A 3 82.145 11.722 7.728 1.00 0.00 O ATOM 41 CB MET A 3 84.972 13.562 8.258 1.00 0.00 C ATOM 42 CG MET A 3 85.989 14.542 7.669 1.00 0.00 C ATOM 43 SD MET A 3 87.344 14.791 8.842 1.00 0.00 S ATOM 44 CE MET A 3 88.537 15.448 7.651 1.00 0.00 C ATOM 0 H MET A 3 82.251 14.003 8.691 1.00 0.00 H new ATOM 0 HA MET A 3 84.035 13.740 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.658 13.903 9.244 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.435 12.584 8.391 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.377 14.156 6.726 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.506 15.494 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 3 89.472 15.679 8.162 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.721 14.706 6.874 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.137 16.356 7.199 1.00 0.00 H new ATOM 54 N LEU A 4 84.050 11.115 6.686 1.00 0.00 N ATOM 55 CA LEU A 4 83.696 9.705 6.568 1.00 0.00 C ATOM 56 C LEU A 4 84.899 8.848 6.949 1.00 0.00 C ATOM 57 O LEU A 4 85.852 8.723 6.180 1.00 0.00 O ATOM 58 CB LEU A 4 83.250 9.428 5.125 1.00 0.00 C ATOM 59 CG LEU A 4 81.786 8.970 5.081 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.251 9.097 3.654 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.667 7.521 5.563 1.00 0.00 C ATOM 0 H LEU A 4 84.945 11.357 6.260 1.00 0.00 H new ATOM 0 HA LEU A 4 82.876 9.457 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.371 10.329 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.888 8.662 4.684 1.00 0.00 H new ATOM 0 HG LEU A 4 81.195 9.603 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.211 8.771 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.315 10.137 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.845 8.474 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.623 7.210 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.262 6.873 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.032 7.447 6.588 1.00 0.00 H new ATOM 73 N THR A 5 84.862 8.295 8.157 1.00 0.00 N ATOM 74 CA THR A 5 85.980 7.504 8.657 1.00 0.00 C ATOM 75 C THR A 5 85.848 6.054 8.206 1.00 0.00 C ATOM 76 O THR A 5 84.783 5.448 8.329 1.00 0.00 O ATOM 77 CB THR A 5 86.030 7.560 10.186 1.00 0.00 C ATOM 78 OG1 THR A 5 84.811 7.067 10.720 1.00 0.00 O ATOM 79 CG2 THR A 5 86.241 9.006 10.641 1.00 0.00 C ATOM 0 H THR A 5 84.077 8.379 8.803 1.00 0.00 H new ATOM 0 HA THR A 5 86.902 7.922 8.253 1.00 0.00 H new ATOM 0 HB THR A 5 86.856 6.945 10.543 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.845 7.102 11.699 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.276 9.043 11.730 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.180 9.382 10.234 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.417 9.624 10.283 1.00 0.00 H new ATOM 87 N GLN A 6 86.958 5.483 7.747 1.00 0.00 N ATOM 88 CA GLN A 6 86.989 4.080 7.348 1.00 0.00 C ATOM 89 C GLN A 6 88.357 3.483 7.670 1.00 0.00 C ATOM 90 O GLN A 6 89.351 4.207 7.731 1.00 0.00 O ATOM 91 CB GLN A 6 86.707 3.975 5.844 1.00 0.00 C ATOM 92 CG GLN A 6 85.200 3.982 5.569 1.00 0.00 C ATOM 93 CD GLN A 6 84.904 3.392 4.194 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.773 3.386 3.324 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.769 2.782 3.987 1.00 0.00 N ATOM 0 H GLN A 6 87.848 5.971 7.642 1.00 0.00 H new ATOM 0 HA GLN A 6 86.227 3.526 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 6 87.180 4.807 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.148 3.060 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.682 3.407 6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.819 5.002 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.048 2.787 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.603 2.300 3.103 1.00 0.00 H new ATOM 104 N PRO A 7 88.465 2.181 7.698 1.00 0.00 N ATOM 105 CA PRO A 7 89.750 1.513 8.048 1.00 0.00 C ATOM 106 C PRO A 7 90.885 2.008 7.156 1.00 0.00 C ATOM 107 O PRO A 7 90.683 2.264 5.969 1.00 0.00 O ATOM 108 CB PRO A 7 89.474 0.018 7.838 1.00 0.00 C ATOM 109 CG PRO A 7 88.042 -0.110 7.418 1.00 0.00 C ATOM 110 CD PRO A 7 87.354 1.217 7.746 1.00 0.00 C ATOM 0 HA PRO A 7 90.068 1.728 9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.137 -0.393 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.658 -0.540 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.972 -0.327 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.559 -0.934 7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.577 1.459 7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.880 1.195 8.727 1.00 0.00 H new ATOM 118 N HIS A 8 92.061 2.197 7.746 1.00 0.00 N ATOM 119 CA HIS A 8 93.217 2.649 6.979 1.00 0.00 C ATOM 120 C HIS A 8 93.410 1.770 5.747 1.00 0.00 C ATOM 121 O HIS A 8 93.162 2.204 4.622 1.00 0.00 O ATOM 122 CB HIS A 8 94.479 2.633 7.856 1.00 0.00 C ATOM 123 CG HIS A 8 94.257 1.805 9.092 1.00 0.00 C ATOM 124 ND1 HIS A 8 93.870 0.474 9.044 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.292 2.135 10.426 1.00 0.00 C ATOM 126 CE1 HIS A 8 93.705 0.052 10.310 1.00 0.00 C ATOM 127 NE2 HIS A 8 93.984 1.013 11.194 1.00 0.00 N ATOM 0 H HIS A 8 92.238 2.047 8.739 1.00 0.00 H new ATOM 0 HA HIS A 8 93.040 3.673 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 8 95.317 2.230 7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.745 3.652 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 8 94.523 3.114 10.819 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.385 -0.944 10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.974 0.942 12.211 1.00 0.00 H new ATOM 135 N SER A 9 93.806 0.522 5.974 1.00 0.00 N ATOM 136 CA SER A 9 94.042 -0.409 4.877 1.00 0.00 C ATOM 137 C SER A 9 94.026 -1.840 5.402 1.00 0.00 C ATOM 138 O SER A 9 94.278 -2.078 6.583 1.00 0.00 O ATOM 139 CB SER A 9 95.394 -0.118 4.223 1.00 0.00 C ATOM 140 OG SER A 9 96.410 -0.105 5.215 1.00 0.00 O ATOM 0 H SER A 9 93.970 0.133 6.903 1.00 0.00 H new ATOM 0 HA SER A 9 93.253 -0.287 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.616 -0.875 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.361 0.843 3.709 1.00 0.00 H new ATOM 0 HG SER A 9 97.276 0.080 4.794 1.00 0.00 H new ATOM 146 N VAL A 10 93.719 -2.792 4.528 1.00 0.00 N ATOM 147 CA VAL A 10 93.661 -4.187 4.948 1.00 0.00 C ATOM 148 C VAL A 10 93.732 -5.119 3.742 1.00 0.00 C ATOM 149 O VAL A 10 93.439 -4.719 2.615 1.00 0.00 O ATOM 150 CB VAL A 10 92.368 -4.437 5.731 1.00 0.00 C ATOM 151 CG1 VAL A 10 91.149 -3.985 4.915 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.264 -5.927 6.073 1.00 0.00 C ATOM 0 H VAL A 10 93.510 -2.629 3.543 1.00 0.00 H new ATOM 0 HA VAL A 10 94.518 -4.394 5.590 1.00 0.00 H new ATOM 0 HB VAL A 10 92.388 -3.857 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.240 -4.170 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 10 91.231 -2.920 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.110 -4.544 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.345 -6.109 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.252 -6.512 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.121 -6.222 6.679 1.00 0.00 H new ATOM 162 N SER A 11 94.079 -6.377 3.999 1.00 0.00 N ATOM 163 CA SER A 11 94.140 -7.393 2.953 1.00 0.00 C ATOM 164 C SER A 11 93.344 -8.627 3.363 1.00 0.00 C ATOM 165 O SER A 11 93.184 -8.904 4.551 1.00 0.00 O ATOM 166 CB SER A 11 95.599 -7.783 2.707 1.00 0.00 C ATOM 167 OG SER A 11 96.003 -8.731 3.684 1.00 0.00 O ATOM 0 H SER A 11 94.324 -6.718 4.929 1.00 0.00 H new ATOM 0 HA SER A 11 93.708 -6.985 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.711 -8.203 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.236 -6.900 2.755 1.00 0.00 H new ATOM 0 HG SER A 11 96.972 -8.864 3.629 1.00 0.00 H new ATOM 173 N GLU A 12 92.818 -9.350 2.378 1.00 0.00 N ATOM 174 CA GLU A 12 91.992 -10.525 2.641 1.00 0.00 C ATOM 175 C GLU A 12 92.398 -11.676 1.726 1.00 0.00 C ATOM 176 O GLU A 12 92.833 -11.459 0.595 1.00 0.00 O ATOM 177 CB GLU A 12 90.521 -10.180 2.402 1.00 0.00 C ATOM 178 CG GLU A 12 89.630 -11.313 2.917 1.00 0.00 C ATOM 179 CD GLU A 12 89.631 -11.313 4.442 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.123 -10.352 5.009 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.089 -12.242 5.018 1.00 0.00 O ATOM 0 H GLU A 12 92.949 -9.142 1.388 1.00 0.00 H new ATOM 0 HA GLU A 12 92.136 -10.830 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.270 -9.249 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.344 -10.021 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.613 -11.188 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 12 89.991 -12.271 2.543 1.00 0.00 H new ATOM 188 N SER A 13 92.341 -12.893 2.259 1.00 0.00 N ATOM 189 CA SER A 13 92.741 -14.063 1.487 1.00 0.00 C ATOM 190 C SER A 13 91.713 -14.337 0.387 1.00 0.00 C ATOM 191 O SER A 13 90.513 -14.328 0.662 1.00 0.00 O ATOM 192 CB SER A 13 92.888 -15.270 2.424 1.00 0.00 C ATOM 193 OG SER A 13 92.547 -14.875 3.744 1.00 0.00 O ATOM 0 H SER A 13 92.026 -13.093 3.208 1.00 0.00 H new ATOM 0 HA SER A 13 93.704 -13.879 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.240 -16.083 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.911 -15.646 2.396 1.00 0.00 H new ATOM 0 HG SER A 13 93.055 -15.412 4.388 1.00 0.00 H new ATOM 199 N PRO A 14 92.125 -14.673 -0.810 1.00 0.00 N ATOM 200 CA PRO A 14 91.161 -14.998 -1.900 1.00 0.00 C ATOM 201 C PRO A 14 90.252 -16.160 -1.508 1.00 0.00 C ATOM 202 O PRO A 14 90.688 -17.310 -1.483 1.00 0.00 O ATOM 203 CB PRO A 14 92.025 -15.338 -3.122 1.00 0.00 C ATOM 204 CG PRO A 14 93.459 -15.299 -2.692 1.00 0.00 C ATOM 205 CD PRO A 14 93.525 -14.749 -1.263 1.00 0.00 C ATOM 0 HA PRO A 14 90.491 -14.164 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.769 -16.324 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.848 -14.624 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.894 -16.298 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 14 94.040 -14.670 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.112 -15.402 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.999 -13.768 -1.241 1.00 0.00 H new ATOM 213 N GLY A 15 88.963 -15.875 -1.346 1.00 0.00 N ATOM 214 CA GLY A 15 87.978 -16.909 -1.041 1.00 0.00 C ATOM 215 C GLY A 15 87.334 -16.675 0.321 1.00 0.00 C ATOM 216 O GLY A 15 86.490 -17.460 0.755 1.00 0.00 O ATOM 0 H GLY A 15 88.575 -14.935 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.208 -16.920 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.458 -17.887 -1.056 1.00 0.00 H new ATOM 220 N LYS A 16 87.863 -15.713 1.071 1.00 0.00 N ATOM 221 CA LYS A 16 87.340 -15.415 2.402 1.00 0.00 C ATOM 222 C LYS A 16 86.289 -14.309 2.349 1.00 0.00 C ATOM 223 O LYS A 16 85.903 -13.845 1.276 1.00 0.00 O ATOM 224 CB LYS A 16 88.489 -14.990 3.325 1.00 0.00 C ATOM 225 CG LYS A 16 89.124 -16.210 4.002 1.00 0.00 C ATOM 226 CD LYS A 16 90.180 -15.773 5.028 1.00 0.00 C ATOM 227 CE LYS A 16 89.637 -15.873 6.456 1.00 0.00 C ATOM 228 NZ LYS A 16 90.612 -15.256 7.400 1.00 0.00 N ATOM 0 H LYS A 16 88.648 -15.129 0.783 1.00 0.00 H new ATOM 0 HA LYS A 16 86.867 -16.317 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.244 -14.454 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.117 -14.301 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.352 -16.801 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.584 -16.851 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.068 -16.398 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.487 -14.747 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 88.674 -15.367 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 89.468 -16.917 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 90.245 -15.323 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 91.521 -15.758 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 90.751 -14.256 7.151 1.00 0.00 H new ATOM 242 N THR A 17 85.799 -13.935 3.528 1.00 0.00 N ATOM 243 CA THR A 17 84.771 -12.906 3.660 1.00 0.00 C ATOM 244 C THR A 17 85.356 -11.661 4.319 1.00 0.00 C ATOM 245 O THR A 17 86.182 -11.761 5.226 1.00 0.00 O ATOM 246 CB THR A 17 83.614 -13.441 4.510 1.00 0.00 C ATOM 247 OG1 THR A 17 84.147 -14.184 5.596 1.00 0.00 O ATOM 248 CG2 THR A 17 82.693 -14.349 3.687 1.00 0.00 C ATOM 0 H THR A 17 86.102 -14.335 4.416 1.00 0.00 H new ATOM 0 HA THR A 17 84.403 -12.643 2.668 1.00 0.00 H new ATOM 0 HB THR A 17 83.029 -12.595 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.414 -14.529 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.882 -14.713 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.278 -13.785 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.263 -15.196 3.305 1.00 0.00 H new ATOM 256 N VAL A 18 84.944 -10.492 3.836 1.00 0.00 N ATOM 257 CA VAL A 18 85.408 -9.222 4.384 1.00 0.00 C ATOM 258 C VAL A 18 84.248 -8.239 4.514 1.00 0.00 C ATOM 259 O VAL A 18 83.361 -8.200 3.662 1.00 0.00 O ATOM 260 CB VAL A 18 86.482 -8.626 3.471 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.859 -8.261 2.123 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.056 -7.364 4.120 1.00 0.00 C ATOM 0 H VAL A 18 84.286 -10.399 3.062 1.00 0.00 H new ATOM 0 HA VAL A 18 85.828 -9.404 5.373 1.00 0.00 H new ATOM 0 HB VAL A 18 87.277 -9.356 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.623 -7.836 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.444 -9.156 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.065 -7.530 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.821 -6.937 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.258 -6.636 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.497 -7.619 5.083 1.00 0.00 H new ATOM 272 N THR A 19 84.214 -7.505 5.622 1.00 0.00 N ATOM 273 CA THR A 19 83.170 -6.515 5.872 1.00 0.00 C ATOM 274 C THR A 19 83.811 -5.139 6.019 1.00 0.00 C ATOM 275 O THR A 19 84.733 -4.956 6.813 1.00 0.00 O ATOM 276 CB THR A 19 82.418 -6.895 7.154 1.00 0.00 C ATOM 277 OG1 THR A 19 81.536 -7.971 6.867 1.00 0.00 O ATOM 278 CG2 THR A 19 81.606 -5.728 7.734 1.00 0.00 C ATOM 0 H THR A 19 84.905 -7.578 6.369 1.00 0.00 H new ATOM 0 HA THR A 19 82.465 -6.489 5.041 1.00 0.00 H new ATOM 0 HB THR A 19 83.162 -7.177 7.899 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.614 -7.641 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.095 -6.055 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.276 -4.902 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.870 -5.398 7.001 1.00 0.00 H new ATOM 286 N ILE A 20 83.278 -4.166 5.285 1.00 0.00 N ATOM 287 CA ILE A 20 83.751 -2.787 5.364 1.00 0.00 C ATOM 288 C ILE A 20 82.695 -1.897 6.013 1.00 0.00 C ATOM 289 O ILE A 20 81.510 -1.998 5.698 1.00 0.00 O ATOM 290 CB ILE A 20 84.068 -2.270 3.957 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.725 -3.392 3.147 1.00 0.00 C ATOM 292 CG2 ILE A 20 85.012 -1.068 4.045 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.251 -2.874 1.805 1.00 0.00 C ATOM 0 H ILE A 20 82.514 -4.309 4.625 1.00 0.00 H new ATOM 0 HA ILE A 20 84.654 -2.760 5.974 1.00 0.00 H new ATOM 0 HB ILE A 20 83.147 -1.957 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.546 -3.824 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.003 -4.190 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 20 85.234 -0.705 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.537 -0.274 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.938 -1.368 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.711 -3.694 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.425 -2.465 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.992 -2.094 1.981 1.00 0.00 H new ATOM 305 N SER A 21 83.125 -1.058 6.952 1.00 0.00 N ATOM 306 CA SER A 21 82.223 -0.130 7.627 1.00 0.00 C ATOM 307 C SER A 21 82.356 1.268 7.028 1.00 0.00 C ATOM 308 O SER A 21 83.291 1.532 6.273 1.00 0.00 O ATOM 309 CB SER A 21 82.556 -0.101 9.121 1.00 0.00 C ATOM 310 OG SER A 21 82.755 -1.429 9.585 1.00 0.00 O ATOM 0 H SER A 21 84.095 -1.002 7.263 1.00 0.00 H new ATOM 0 HA SER A 21 81.194 -0.463 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.452 0.495 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.747 0.373 9.676 1.00 0.00 H new ATOM 0 HG SER A 21 82.970 -1.413 10.541 1.00 0.00 H new ATOM 316 N CYS A 22 81.411 2.152 7.340 1.00 0.00 N ATOM 317 CA CYS A 22 81.446 3.530 6.850 1.00 0.00 C ATOM 318 C CYS A 22 80.730 4.403 7.887 1.00 0.00 C ATOM 319 O CYS A 22 79.612 4.077 8.290 1.00 0.00 O ATOM 320 CB CYS A 22 80.825 3.603 5.438 1.00 0.00 C ATOM 321 SG CYS A 22 81.749 4.710 4.323 1.00 0.00 S ATOM 0 H CYS A 22 80.608 1.938 7.932 1.00 0.00 H new ATOM 0 HA CYS A 22 82.465 3.901 6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.794 2.602 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.794 3.949 5.516 1.00 0.00 H new ATOM 326 N THR A 23 81.481 5.269 8.573 1.00 0.00 N ATOM 327 CA THR A 23 80.912 6.150 9.592 1.00 0.00 C ATOM 328 C THR A 23 81.082 7.586 9.122 1.00 0.00 C ATOM 329 O THR A 23 82.211 8.031 8.918 1.00 0.00 O ATOM 330 CB THR A 23 81.610 6.000 10.951 1.00 0.00 C ATOM 331 OG1 THR A 23 81.269 4.735 11.498 1.00 0.00 O ATOM 332 CG2 THR A 23 81.217 7.094 11.959 1.00 0.00 C ATOM 0 H THR A 23 82.486 5.378 8.439 1.00 0.00 H new ATOM 0 HA THR A 23 79.864 5.882 9.724 1.00 0.00 H new ATOM 0 HB THR A 23 82.682 6.093 10.776 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.710 4.625 12.366 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.745 6.930 12.898 1.00 0.00 H new ATOM 0 HG22 THR A 23 81.485 8.071 11.558 1.00 0.00 H new ATOM 0 HG23 THR A 23 80.142 7.057 12.136 1.00 0.00 H new ATOM 340 N ARG A 24 80.023 8.370 9.288 1.00 0.00 N ATOM 341 CA ARG A 24 80.112 9.802 9.043 1.00 0.00 C ATOM 342 C ARG A 24 80.169 10.559 10.366 1.00 0.00 C ATOM 343 O ARG A 24 79.418 10.271 11.297 1.00 0.00 O ATOM 344 CB ARG A 24 78.948 10.277 8.168 1.00 0.00 C ATOM 345 CG ARG A 24 77.613 10.196 8.912 1.00 0.00 C ATOM 346 CD ARG A 24 77.298 8.754 9.325 1.00 0.00 C ATOM 347 NE ARG A 24 77.731 8.517 10.696 1.00 0.00 N ATOM 348 CZ ARG A 24 77.521 7.346 11.287 1.00 0.00 C ATOM 349 NH1 ARG A 24 76.316 6.994 11.643 1.00 0.00 N ATOM 350 NH2 ARG A 24 78.526 6.547 11.503 1.00 0.00 N ATOM 0 H ARG A 24 79.105 8.043 9.587 1.00 0.00 H new ATOM 0 HA ARG A 24 81.032 10.010 8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 24 79.126 11.304 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.899 9.669 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 24 77.647 10.832 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 24 76.815 10.578 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.228 8.568 9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.799 8.058 8.652 1.00 0.00 H new ATOM 0 HE ARG A 24 78.202 9.261 11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.529 7.619 11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.161 6.094 12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 24 79.466 6.822 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 24 78.373 5.646 11.956 1.00 0.00 H new ATOM 364 N SER A 25 80.957 11.627 10.382 1.00 0.00 N ATOM 365 CA SER A 25 81.065 12.492 11.553 1.00 0.00 C ATOM 366 C SER A 25 79.699 13.062 11.923 1.00 0.00 C ATOM 367 O SER A 25 79.608 14.066 12.629 1.00 0.00 O ATOM 368 CB SER A 25 82.071 13.622 11.318 1.00 0.00 C ATOM 369 OG SER A 25 81.591 14.487 10.300 1.00 0.00 O ATOM 0 H SER A 25 81.534 11.917 9.593 1.00 0.00 H new ATOM 0 HA SER A 25 81.429 11.887 12.384 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.226 14.181 12.241 1.00 0.00 H new ATOM 0 HB3 SER A 25 83.037 13.208 11.030 1.00 0.00 H new ATOM 0 HG SER A 25 81.051 15.199 10.703 1.00 0.00 H new ATOM 375 N SER A 26 78.682 12.596 11.203 1.00 0.00 N ATOM 376 CA SER A 26 77.331 13.134 11.323 1.00 0.00 C ATOM 377 C SER A 26 76.445 12.158 12.095 1.00 0.00 C ATOM 378 O SER A 26 75.406 12.539 12.634 1.00 0.00 O ATOM 379 CB SER A 26 76.779 13.375 9.915 1.00 0.00 C ATOM 380 OG SER A 26 76.316 14.714 9.818 1.00 0.00 O ATOM 0 H SER A 26 78.770 11.840 10.524 1.00 0.00 H new ATOM 0 HA SER A 26 77.347 14.075 11.872 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.554 13.191 9.171 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.965 12.680 9.706 1.00 0.00 H new ATOM 0 HG SER A 26 75.486 14.736 9.298 1.00 0.00 H new ATOM 386 N GLY A 27 76.888 10.909 12.182 1.00 0.00 N ATOM 387 CA GLY A 27 76.148 9.889 12.917 1.00 0.00 C ATOM 388 C GLY A 27 74.835 9.529 12.223 1.00 0.00 C ATOM 389 O GLY A 27 73.834 9.286 12.898 1.00 0.00 O ATOM 0 H GLY A 27 77.753 10.579 11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.763 8.995 13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.940 10.247 13.925 1.00 0.00 H new ATOM 393 N SER A 28 74.787 9.655 10.898 1.00 0.00 N ATOM 394 CA SER A 28 73.551 9.440 10.144 1.00 0.00 C ATOM 395 C SER A 28 73.755 8.470 8.982 1.00 0.00 C ATOM 396 O SER A 28 74.317 8.846 7.952 1.00 0.00 O ATOM 397 CB SER A 28 73.048 10.772 9.584 1.00 0.00 C ATOM 398 OG SER A 28 72.578 11.587 10.647 1.00 0.00 O ATOM 0 H SER A 28 75.591 9.905 10.322 1.00 0.00 H new ATOM 0 HA SER A 28 72.822 9.011 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.851 11.280 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.248 10.597 8.865 1.00 0.00 H new ATOM 0 HG SER A 28 72.258 12.441 10.288 1.00 0.00 H new ATOM 404 N ILE A 29 73.387 7.207 9.179 1.00 0.00 N ATOM 405 CA ILE A 29 73.609 6.158 8.185 1.00 0.00 C ATOM 406 C ILE A 29 72.311 5.429 7.861 1.00 0.00 C ATOM 407 O ILE A 29 71.768 5.570 6.765 1.00 0.00 O ATOM 408 CB ILE A 29 74.598 5.107 8.700 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.309 4.750 10.171 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.038 5.601 8.530 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.649 3.376 10.349 1.00 0.00 C ATOM 0 H ILE A 29 72.928 6.881 10.029 1.00 0.00 H new ATOM 0 HA ILE A 29 74.005 6.652 7.298 1.00 0.00 H new ATOM 0 HB ILE A 29 74.473 4.201 8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.243 4.771 10.732 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.662 5.514 10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.729 4.843 8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.236 5.788 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.175 6.524 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.475 3.191 11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.698 3.357 9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.305 2.603 9.949 1.00 0.00 H new ATOM 423 N ALA A 30 71.740 4.783 8.874 1.00 0.00 N ATOM 424 CA ALA A 30 70.470 4.089 8.688 1.00 0.00 C ATOM 425 C ALA A 30 69.420 5.123 8.304 1.00 0.00 C ATOM 426 O ALA A 30 68.259 4.802 8.052 1.00 0.00 O ATOM 427 CB ALA A 30 70.030 3.389 9.977 1.00 0.00 C ATOM 0 H ALA A 30 72.128 4.726 9.816 1.00 0.00 H new ATOM 0 HA ALA A 30 70.585 3.333 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.081 2.880 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 70.785 2.660 10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 30 69.910 4.128 10.770 1.00 0.00 H new ATOM 433 N SER A 31 69.896 6.357 8.191 1.00 0.00 N ATOM 434 CA SER A 31 69.050 7.493 7.828 1.00 0.00 C ATOM 435 C SER A 31 69.428 8.077 6.471 1.00 0.00 C ATOM 436 O SER A 31 68.546 8.397 5.673 1.00 0.00 O ATOM 437 CB SER A 31 69.162 8.604 8.871 1.00 0.00 C ATOM 438 OG SER A 31 68.406 9.724 8.433 1.00 0.00 O ATOM 0 H SER A 31 70.874 6.600 8.347 1.00 0.00 H new ATOM 0 HA SER A 31 68.029 7.115 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.793 8.254 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.206 8.885 9.012 1.00 0.00 H new ATOM 0 HG SER A 31 68.470 10.442 9.097 1.00 0.00 H new ATOM 444 N ASN A 32 70.694 7.937 6.091 1.00 0.00 N ATOM 445 CA ASN A 32 71.177 8.558 4.861 1.00 0.00 C ATOM 446 C ASN A 32 71.523 7.449 3.875 1.00 0.00 C ATOM 447 O ASN A 32 71.986 6.379 4.271 1.00 0.00 O ATOM 448 CB ASN A 32 72.448 9.372 5.131 1.00 0.00 C ATOM 449 CG ASN A 32 72.188 10.456 6.171 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.036 10.736 6.505 1.00 0.00 O ATOM 451 ND2 ASN A 32 73.196 11.122 6.666 1.00 0.00 N ATOM 0 H ASN A 32 71.396 7.407 6.608 1.00 0.00 H new ATOM 0 HA ASN A 32 70.406 9.220 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.241 8.711 5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.797 9.827 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 32 73.031 11.877 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 32 74.149 10.887 6.387 1.00 0.00 H new ATOM 458 N TYR A 33 71.186 7.668 2.609 1.00 0.00 N ATOM 459 CA TYR A 33 71.384 6.638 1.598 1.00 0.00 C ATOM 460 C TYR A 33 72.874 6.479 1.330 1.00 0.00 C ATOM 461 O TYR A 33 73.564 7.478 1.142 1.00 0.00 O ATOM 462 CB TYR A 33 70.689 7.034 0.294 1.00 0.00 C ATOM 463 CG TYR A 33 69.209 7.215 0.538 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.416 6.105 0.847 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.627 8.485 0.446 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.040 6.260 1.058 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.248 8.639 0.631 1.00 0.00 C ATOM 468 CZ TYR A 33 66.463 7.534 0.979 1.00 0.00 C ATOM 469 OH TYR A 33 65.114 7.696 1.223 1.00 0.00 O ATOM 0 H TYR A 33 70.780 8.537 2.262 1.00 0.00 H new ATOM 0 HA TYR A 33 70.961 5.701 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.119 7.958 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.851 6.267 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.866 5.126 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.242 9.346 0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.426 5.400 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.791 9.609 0.505 1.00 0.00 H new ATOM 0 HH TYR A 33 64.876 8.642 1.128 1.00 0.00 H new ATOM 479 N VAL A 34 73.379 5.248 1.345 1.00 0.00 N ATOM 480 CA VAL A 34 74.799 4.999 1.110 1.00 0.00 C ATOM 481 C VAL A 34 74.990 4.028 -0.047 1.00 0.00 C ATOM 482 O VAL A 34 74.302 3.015 -0.157 1.00 0.00 O ATOM 483 CB VAL A 34 75.465 4.441 2.374 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.985 4.603 2.267 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.926 5.143 3.629 1.00 0.00 C ATOM 0 H VAL A 34 72.827 4.408 1.517 1.00 0.00 H new ATOM 0 HA VAL A 34 75.270 5.948 0.853 1.00 0.00 H new ATOM 0 HB VAL A 34 75.228 3.381 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.457 4.206 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.348 4.059 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.232 5.660 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.412 4.731 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.133 6.211 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.850 4.985 3.700 1.00 0.00 H new ATOM 495 N GLN A 35 76.012 4.297 -0.850 1.00 0.00 N ATOM 496 CA GLN A 35 76.332 3.443 -1.987 1.00 0.00 C ATOM 497 C GLN A 35 77.805 3.055 -1.937 1.00 0.00 C ATOM 498 O GLN A 35 78.638 3.842 -1.491 1.00 0.00 O ATOM 499 CB GLN A 35 76.048 4.203 -3.284 1.00 0.00 C ATOM 500 CG GLN A 35 76.643 5.618 -3.253 1.00 0.00 C ATOM 501 CD GLN A 35 75.552 6.686 -3.219 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.553 7.594 -4.050 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.617 6.632 -2.310 1.00 0.00 N ATOM 0 H GLN A 35 76.633 5.098 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 35 75.721 2.541 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.463 3.652 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 35 74.971 4.264 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.285 5.724 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 35 77.273 5.768 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 35 74.617 5.879 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.886 7.343 -2.288 1.00 0.00 H new ATOM 512 N TRP A 36 78.128 1.880 -2.469 1.00 0.00 N ATOM 513 CA TRP A 36 79.498 1.378 -2.428 1.00 0.00 C ATOM 514 C TRP A 36 80.128 1.487 -3.811 1.00 0.00 C ATOM 515 O TRP A 36 79.567 1.019 -4.802 1.00 0.00 O ATOM 516 CB TRP A 36 79.502 -0.085 -1.978 1.00 0.00 C ATOM 517 CG TRP A 36 79.064 -0.165 -0.550 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.827 -0.521 -0.133 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.839 0.104 0.657 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.792 -0.500 1.248 1.00 0.00 N ATOM 521 CE2 TRP A 36 79.003 -0.110 1.783 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.159 0.522 0.885 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.474 0.071 3.089 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.635 0.697 2.192 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.800 0.471 3.293 1.00 0.00 C ATOM 0 H TRP A 36 77.463 1.260 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 36 80.074 1.974 -1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.835 -0.673 -2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.500 -0.509 -2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.999 -0.780 -0.777 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.972 -0.743 1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.814 0.710 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.820 -0.097 3.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.656 1.009 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.178 0.605 4.296 1.00 0.00 H new ATOM 536 N TYR A 37 81.228 2.229 -3.886 1.00 0.00 N ATOM 537 CA TYR A 37 81.947 2.431 -5.138 1.00 0.00 C ATOM 538 C TYR A 37 83.305 1.742 -5.064 1.00 0.00 C ATOM 539 O TYR A 37 83.988 1.805 -4.042 1.00 0.00 O ATOM 540 CB TYR A 37 82.106 3.939 -5.372 1.00 0.00 C ATOM 541 CG TYR A 37 81.047 4.446 -6.323 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.007 3.941 -7.627 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.132 5.429 -5.926 1.00 0.00 C ATOM 544 CE1 TYR A 37 80.029 4.387 -8.525 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.164 5.888 -6.829 1.00 0.00 C ATOM 546 CZ TYR A 37 79.109 5.363 -8.126 1.00 0.00 C ATOM 547 OH TYR A 37 78.179 5.837 -9.029 1.00 0.00 O ATOM 0 H TYR A 37 81.644 2.705 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 37 81.394 1.998 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.033 4.469 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.096 4.147 -5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.732 3.205 -7.942 1.00 0.00 H new ATOM 0 HD2 TYR A 37 80.172 5.833 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.985 3.978 -9.524 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.459 6.648 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 37 77.451 5.187 -9.120 1.00 0.00 H new ATOM 557 N GLN A 38 83.770 1.277 -6.220 1.00 0.00 N ATOM 558 CA GLN A 38 85.074 0.631 -6.329 1.00 0.00 C ATOM 559 C GLN A 38 85.797 1.203 -7.544 1.00 0.00 C ATOM 560 O GLN A 38 85.266 1.199 -8.655 1.00 0.00 O ATOM 561 CB GLN A 38 84.936 -0.896 -6.452 1.00 0.00 C ATOM 562 CG GLN A 38 83.469 -1.325 -6.560 1.00 0.00 C ATOM 563 CD GLN A 38 82.814 -1.322 -5.182 1.00 0.00 C ATOM 564 OE1 GLN A 38 81.956 -0.486 -4.899 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.213 -2.182 -4.284 1.00 0.00 N ATOM 0 H GLN A 38 83.259 1.336 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 38 85.649 0.829 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.482 -1.241 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.392 -1.374 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.933 -0.649 -7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.406 -2.321 -6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.924 -2.874 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.814 -2.162 -3.346 1.00 0.00 H new ATOM 574 N GLN A 39 87.065 1.552 -7.349 1.00 0.00 N ATOM 575 CA GLN A 39 87.887 2.118 -8.414 1.00 0.00 C ATOM 576 C GLN A 39 89.160 1.292 -8.563 1.00 0.00 C ATOM 577 O GLN A 39 89.791 0.934 -7.568 1.00 0.00 O ATOM 578 CB GLN A 39 88.233 3.569 -8.063 1.00 0.00 C ATOM 579 CG GLN A 39 88.430 4.411 -9.326 1.00 0.00 C ATOM 580 CD GLN A 39 89.674 3.946 -10.075 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.776 3.987 -9.529 1.00 0.00 O ATOM 582 NE2 GLN A 39 89.554 3.443 -11.272 1.00 0.00 N ATOM 0 H GLN A 39 87.549 1.452 -6.457 1.00 0.00 H new ATOM 0 HA GLN A 39 87.342 2.099 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.436 3.999 -7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.141 3.594 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.555 4.326 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.528 5.463 -9.060 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.639 3.410 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.375 3.082 -11.758 1.00 0.00 H new ATOM 591 N ARG A 40 89.531 0.979 -9.802 1.00 0.00 N ATOM 592 CA ARG A 40 90.734 0.196 -10.060 1.00 0.00 C ATOM 593 C ARG A 40 91.546 0.844 -11.182 1.00 0.00 C ATOM 594 O ARG A 40 90.977 1.178 -12.222 1.00 0.00 O ATOM 595 CB ARG A 40 90.348 -1.232 -10.457 1.00 0.00 C ATOM 596 CG ARG A 40 91.597 -2.118 -10.457 1.00 0.00 C ATOM 597 CD ARG A 40 91.266 -3.554 -10.883 1.00 0.00 C ATOM 598 NE ARG A 40 91.692 -3.772 -12.260 1.00 0.00 N ATOM 599 CZ ARG A 40 91.193 -3.046 -13.255 1.00 0.00 C ATOM 600 NH1 ARG A 40 90.091 -3.423 -13.843 1.00 0.00 N ATOM 601 NH2 ARG A 40 91.814 -1.971 -13.656 1.00 0.00 N ATOM 0 H ARG A 40 89.018 1.255 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 40 91.340 0.165 -9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 40 89.609 -1.627 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 40 89.888 -1.234 -11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 40 92.342 -1.699 -11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 40 92.039 -2.125 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 40 91.764 -4.263 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 40 90.195 -3.732 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 40 92.384 -4.493 -12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 40 89.615 -4.272 -13.539 1.00 0.00 H new ATOM 0 HH12 ARG A 40 89.705 -2.868 -14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 40 92.684 -1.687 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 91.430 -1.415 -14.420 1.00 0.00 H new ATOM 615 N PRO A 41 92.842 0.976 -11.060 1.00 0.00 N ATOM 616 CA PRO A 41 93.653 1.644 -12.118 1.00 0.00 C ATOM 617 C PRO A 41 93.433 0.975 -13.472 1.00 0.00 C ATOM 618 O PRO A 41 93.510 -0.248 -13.581 1.00 0.00 O ATOM 619 CB PRO A 41 95.112 1.508 -11.657 1.00 0.00 C ATOM 620 CG PRO A 41 95.102 0.852 -10.311 1.00 0.00 C ATOM 621 CD PRO A 41 93.647 0.699 -9.858 1.00 0.00 C ATOM 0 HA PRO A 41 93.372 2.689 -12.249 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.685 0.913 -12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.589 2.486 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 41 95.588 -0.122 -10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.662 1.451 -9.593 1.00 0.00 H new ATOM 0 HD2 PRO A 41 93.456 -0.304 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 41 93.409 1.396 -9.054 1.00 0.00 H new ATOM 629 N GLY A 42 93.295 1.782 -14.520 1.00 0.00 N ATOM 630 CA GLY A 42 93.107 1.257 -15.870 1.00 0.00 C ATOM 631 C GLY A 42 91.639 1.310 -16.283 1.00 0.00 C ATOM 632 O GLY A 42 91.321 1.234 -17.470 1.00 0.00 O ATOM 0 H GLY A 42 93.310 2.800 -14.461 1.00 0.00 H new ATOM 0 HA2 GLY A 42 93.707 1.834 -16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 42 93.464 0.228 -15.916 1.00 0.00 H new ATOM 636 N SER A 43 90.753 1.481 -15.306 1.00 0.00 N ATOM 637 CA SER A 43 89.321 1.564 -15.574 1.00 0.00 C ATOM 638 C SER A 43 88.660 2.557 -14.625 1.00 0.00 C ATOM 639 O SER A 43 89.254 2.958 -13.624 1.00 0.00 O ATOM 640 CB SER A 43 88.673 0.189 -15.399 1.00 0.00 C ATOM 641 OG SER A 43 87.276 0.344 -15.200 1.00 0.00 O ATOM 0 H SER A 43 91.002 1.565 -14.320 1.00 0.00 H new ATOM 0 HA SER A 43 89.182 1.903 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 43 88.859 -0.427 -16.279 1.00 0.00 H new ATOM 0 HB3 SER A 43 89.117 -0.328 -14.548 1.00 0.00 H new ATOM 0 HG SER A 43 86.862 -0.537 -15.090 1.00 0.00 H new ATOM 647 N SER A 44 87.464 3.011 -14.986 1.00 0.00 N ATOM 648 CA SER A 44 86.764 4.010 -14.186 1.00 0.00 C ATOM 649 C SER A 44 86.046 3.338 -13.019 1.00 0.00 C ATOM 650 O SER A 44 86.067 2.113 -12.902 1.00 0.00 O ATOM 651 CB SER A 44 85.759 4.757 -15.071 1.00 0.00 C ATOM 652 OG SER A 44 84.443 4.295 -14.806 1.00 0.00 O ATOM 0 H SER A 44 86.963 2.706 -15.820 1.00 0.00 H new ATOM 0 HA SER A 44 87.485 4.722 -13.783 1.00 0.00 H new ATOM 0 HB2 SER A 44 85.822 5.829 -14.883 1.00 0.00 H new ATOM 0 HB3 SER A 44 86.003 4.603 -16.122 1.00 0.00 H new ATOM 0 HG SER A 44 83.806 4.778 -15.374 1.00 0.00 H new ATOM 658 N PRO A 45 85.395 4.093 -12.172 1.00 0.00 N ATOM 659 CA PRO A 45 84.629 3.533 -11.023 1.00 0.00 C ATOM 660 C PRO A 45 83.345 2.850 -11.486 1.00 0.00 C ATOM 661 O PRO A 45 82.773 3.217 -12.511 1.00 0.00 O ATOM 662 CB PRO A 45 84.339 4.747 -10.128 1.00 0.00 C ATOM 663 CG PRO A 45 84.991 5.929 -10.774 1.00 0.00 C ATOM 664 CD PRO A 45 85.244 5.556 -12.235 1.00 0.00 C ATOM 0 HA PRO A 45 85.185 2.759 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.265 4.905 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.733 4.589 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.350 6.808 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.926 6.176 -10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.415 5.850 -12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.139 6.039 -12.628 1.00 0.00 H new ATOM 672 N THR A 46 82.840 1.923 -10.676 1.00 0.00 N ATOM 673 CA THR A 46 81.585 1.241 -10.976 1.00 0.00 C ATOM 674 C THR A 46 80.735 1.116 -9.716 1.00 0.00 C ATOM 675 O THR A 46 81.149 0.505 -8.731 1.00 0.00 O ATOM 676 CB THR A 46 81.873 -0.152 -11.542 1.00 0.00 C ATOM 677 OG1 THR A 46 82.868 -0.783 -10.750 1.00 0.00 O ATOM 678 CG2 THR A 46 82.366 -0.031 -12.986 1.00 0.00 C ATOM 0 H THR A 46 83.282 1.627 -9.806 1.00 0.00 H new ATOM 0 HA THR A 46 81.038 1.826 -11.715 1.00 0.00 H new ATOM 0 HB THR A 46 80.960 -0.747 -11.525 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.683 -0.619 -9.802 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.570 -1.025 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.601 0.454 -13.592 1.00 0.00 H new ATOM 0 HG23 THR A 46 83.279 0.564 -13.010 1.00 0.00 H new ATOM 686 N THR A 47 79.531 1.675 -9.764 1.00 0.00 N ATOM 687 CA THR A 47 78.613 1.575 -8.636 1.00 0.00 C ATOM 688 C THR A 47 78.260 0.114 -8.380 1.00 0.00 C ATOM 689 O THR A 47 77.626 -0.524 -9.220 1.00 0.00 O ATOM 690 CB THR A 47 77.338 2.368 -8.942 1.00 0.00 C ATOM 691 OG1 THR A 47 77.689 3.586 -9.584 1.00 0.00 O ATOM 692 CG2 THR A 47 76.584 2.686 -7.647 1.00 0.00 C ATOM 0 H THR A 47 79.171 2.197 -10.563 1.00 0.00 H new ATOM 0 HA THR A 47 79.092 1.986 -7.747 1.00 0.00 H new ATOM 0 HB THR A 47 76.697 1.770 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.407 4.025 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.681 3.250 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.312 1.757 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.222 3.278 -6.991 1.00 0.00 H new ATOM 700 N VAL A 48 78.540 -0.384 -7.177 1.00 0.00 N ATOM 701 CA VAL A 48 78.276 -1.794 -6.902 1.00 0.00 C ATOM 702 C VAL A 48 76.986 -1.972 -6.108 1.00 0.00 C ATOM 703 O VAL A 48 76.303 -2.981 -6.280 1.00 0.00 O ATOM 704 CB VAL A 48 79.445 -2.362 -6.085 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.013 -3.546 -5.214 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.560 -2.842 -7.018 1.00 0.00 C ATOM 0 H VAL A 48 78.936 0.147 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 48 78.170 -2.319 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 48 79.799 -1.557 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.871 -3.917 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.237 -3.223 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.623 -4.342 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.383 -3.242 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.174 -3.621 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.918 -2.005 -7.618 1.00 0.00 H new ATOM 716 N ILE A 49 76.600 -0.988 -5.305 1.00 0.00 N ATOM 717 CA ILE A 49 75.338 -1.048 -4.584 1.00 0.00 C ATOM 718 C ILE A 49 74.784 0.370 -4.489 1.00 0.00 C ATOM 719 O ILE A 49 75.474 1.269 -4.004 1.00 0.00 O ATOM 720 CB ILE A 49 75.599 -1.697 -3.217 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.392 -3.214 -3.303 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.686 -1.099 -2.143 1.00 0.00 C ATOM 723 CD1 ILE A 49 75.781 -3.895 -1.989 1.00 0.00 C ATOM 0 H ILE A 49 77.143 -0.141 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 49 74.589 -1.657 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 49 76.633 -1.495 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.349 -3.430 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 75.990 -3.621 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.891 -1.576 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.872 -0.028 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.644 -1.267 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 49 75.625 -4.970 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 76.831 -3.697 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.165 -3.503 -1.180 1.00 0.00 H new ATOM 735 N TYR A 50 73.469 0.489 -4.643 1.00 0.00 N ATOM 736 CA TYR A 50 72.796 1.776 -4.503 1.00 0.00 C ATOM 737 C TYR A 50 71.650 1.633 -3.506 1.00 0.00 C ATOM 738 O TYR A 50 71.455 0.552 -2.950 1.00 0.00 O ATOM 739 CB TYR A 50 72.279 2.211 -5.878 1.00 0.00 C ATOM 740 CG TYR A 50 72.200 3.717 -5.963 1.00 0.00 C ATOM 741 CD1 TYR A 50 73.370 4.460 -6.155 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.966 4.367 -5.852 1.00 0.00 C ATOM 743 CE1 TYR A 50 73.310 5.857 -6.219 1.00 0.00 C ATOM 744 CE2 TYR A 50 70.905 5.765 -5.916 1.00 0.00 C ATOM 745 CZ TYR A 50 72.077 6.509 -6.103 1.00 0.00 C ATOM 746 OH TYR A 50 72.022 7.888 -6.143 1.00 0.00 O ATOM 0 H TYR A 50 72.848 -0.290 -4.865 1.00 0.00 H new ATOM 0 HA TYR A 50 73.484 2.535 -4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.939 1.831 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.294 1.779 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 50 74.320 3.955 -6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 50 70.062 3.792 -5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 50 74.214 6.431 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 50 69.955 6.269 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 50 71.092 8.181 -6.050 1.00 0.00 H new ATOM 756 N GLU A 51 71.161 2.771 -3.032 1.00 0.00 N ATOM 757 CA GLU A 51 70.205 2.807 -1.931 1.00 0.00 C ATOM 758 C GLU A 51 70.638 1.856 -0.820 1.00 0.00 C ATOM 759 O GLU A 51 69.829 1.346 -0.046 1.00 0.00 O ATOM 760 CB GLU A 51 68.890 2.256 -2.501 1.00 0.00 C ATOM 761 CG GLU A 51 67.739 2.403 -1.493 1.00 0.00 C ATOM 762 CD GLU A 51 66.679 3.382 -1.988 1.00 0.00 C ATOM 763 OE1 GLU A 51 67.056 4.384 -2.574 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.509 3.116 -1.771 1.00 0.00 O ATOM 0 H GLU A 51 71.413 3.690 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 51 70.122 3.818 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.640 2.785 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.016 1.205 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.282 1.429 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.134 2.746 -0.537 1.00 0.00 H new ATOM 771 N ASP A 52 71.931 1.562 -0.824 1.00 0.00 N ATOM 772 CA ASP A 52 72.555 0.659 0.136 1.00 0.00 C ATOM 773 C ASP A 52 71.650 -0.557 0.318 1.00 0.00 C ATOM 774 O ASP A 52 71.880 -1.363 1.220 1.00 0.00 O ATOM 775 CB ASP A 52 72.731 1.383 1.478 1.00 0.00 C ATOM 776 CG ASP A 52 74.093 1.072 2.094 1.00 0.00 C ATOM 777 OD1 ASP A 52 75.081 1.205 1.388 1.00 0.00 O ATOM 778 OD2 ASP A 52 74.126 0.703 3.257 1.00 0.00 O ATOM 0 H ASP A 52 72.586 1.949 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 52 73.533 0.341 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 72.632 2.458 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.940 1.081 2.165 1.00 0.00 H new ATOM 783 N ASN A 53 70.732 -0.777 -0.621 1.00 0.00 N ATOM 784 CA ASN A 53 69.917 -1.985 -0.638 1.00 0.00 C ATOM 785 C ASN A 53 69.944 -2.658 -2.004 1.00 0.00 C ATOM 786 O ASN A 53 69.839 -3.880 -2.109 1.00 0.00 O ATOM 787 CB ASN A 53 68.511 -1.600 -0.168 1.00 0.00 C ATOM 788 CG ASN A 53 67.440 -2.523 -0.738 1.00 0.00 C ATOM 789 OD1 ASN A 53 66.838 -3.304 -0.002 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.106 -2.400 -1.993 1.00 0.00 N ATOM 0 H ASN A 53 70.535 -0.129 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 53 70.318 -2.736 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.473 -1.631 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.299 -0.573 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.339 -2.954 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.612 -1.749 -2.594 1.00 0.00 H new ATOM 797 N GLN A 54 69.754 -1.823 -3.023 1.00 0.00 N ATOM 798 CA GLN A 54 69.441 -2.326 -4.355 1.00 0.00 C ATOM 799 C GLN A 54 70.734 -2.785 -5.021 1.00 0.00 C ATOM 800 O GLN A 54 71.759 -2.119 -4.874 1.00 0.00 O ATOM 801 CB GLN A 54 68.723 -1.283 -5.218 1.00 0.00 C ATOM 802 CG GLN A 54 69.691 -0.184 -5.666 1.00 0.00 C ATOM 803 CD GLN A 54 70.341 -0.528 -7.001 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.758 -0.292 -8.059 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.575 -0.950 -7.003 1.00 0.00 N ATOM 0 H GLN A 54 69.811 -0.807 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 54 68.753 -3.166 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 54 68.286 -1.767 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 54 67.901 -0.842 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.156 0.762 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.463 -0.045 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.049 -1.143 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.066 -1.087 -7.887 1.00 0.00 H new ATOM 814 N ARG A 55 70.739 -3.987 -5.593 1.00 0.00 N ATOM 815 CA ARG A 55 71.960 -4.566 -6.151 1.00 0.00 C ATOM 816 C ARG A 55 71.871 -4.569 -7.679 1.00 0.00 C ATOM 817 O ARG A 55 70.989 -5.235 -8.222 1.00 0.00 O ATOM 818 CB ARG A 55 72.139 -5.997 -5.625 1.00 0.00 C ATOM 819 CG ARG A 55 73.178 -6.065 -4.500 1.00 0.00 C ATOM 820 CD ARG A 55 72.607 -5.427 -3.232 1.00 0.00 C ATOM 821 NE ARG A 55 71.572 -6.288 -2.672 1.00 0.00 N ATOM 822 CZ ARG A 55 71.414 -6.429 -1.360 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.163 -5.385 -0.617 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.558 -7.603 -0.808 1.00 0.00 N ATOM 0 H ARG A 55 69.913 -4.579 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 55 72.821 -3.970 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.183 -6.372 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 55 72.446 -6.649 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.451 -7.102 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.089 -5.547 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.401 -5.274 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.192 -4.446 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 55 70.953 -6.796 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.088 -4.462 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.042 -5.493 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.792 -8.412 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.437 -7.711 0.199 1.00 0.00 H new ATOM 838 N PRO A 56 72.649 -3.793 -8.394 1.00 0.00 N ATOM 839 CA PRO A 56 72.645 -3.841 -9.886 1.00 0.00 C ATOM 840 C PRO A 56 73.074 -5.206 -10.420 1.00 0.00 C ATOM 841 O PRO A 56 74.069 -5.769 -9.963 1.00 0.00 O ATOM 842 CB PRO A 56 73.627 -2.746 -10.330 1.00 0.00 C ATOM 843 CG PRO A 56 74.086 -2.047 -9.091 1.00 0.00 C ATOM 844 CD PRO A 56 73.774 -2.972 -7.914 1.00 0.00 C ATOM 0 HA PRO A 56 71.641 -3.679 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.472 -3.179 -10.865 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.143 -2.046 -11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.154 -1.834 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.575 -1.091 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.634 -3.588 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.503 -2.406 -7.023 1.00 0.00 H new ATOM 852 N SER A 57 72.479 -5.610 -11.538 1.00 0.00 N ATOM 853 CA SER A 57 72.878 -6.848 -12.199 1.00 0.00 C ATOM 854 C SER A 57 74.268 -6.711 -12.810 1.00 0.00 C ATOM 855 O SER A 57 74.927 -7.708 -13.103 1.00 0.00 O ATOM 856 CB SER A 57 71.878 -7.199 -13.303 1.00 0.00 C ATOM 857 OG SER A 57 72.194 -6.464 -14.477 1.00 0.00 O ATOM 0 H SER A 57 71.725 -5.103 -12.002 1.00 0.00 H new ATOM 0 HA SER A 57 72.895 -7.641 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.909 -8.269 -13.511 1.00 0.00 H new ATOM 0 HB3 SER A 57 70.864 -6.967 -12.977 1.00 0.00 H new ATOM 0 HG SER A 57 71.555 -6.689 -15.186 1.00 0.00 H new ATOM 863 N GLY A 58 74.693 -5.471 -13.027 1.00 0.00 N ATOM 864 CA GLY A 58 76.008 -5.212 -13.599 1.00 0.00 C ATOM 865 C GLY A 58 77.104 -5.811 -12.725 1.00 0.00 C ATOM 866 O GLY A 58 78.176 -6.163 -13.217 1.00 0.00 O ATOM 0 H GLY A 58 74.149 -4.634 -12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.064 -5.636 -14.602 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.162 -4.137 -13.698 1.00 0.00 H new ATOM 870 N VAL A 59 76.857 -5.858 -11.418 1.00 0.00 N ATOM 871 CA VAL A 59 77.836 -6.370 -10.463 1.00 0.00 C ATOM 872 C VAL A 59 77.234 -7.505 -9.632 1.00 0.00 C ATOM 873 O VAL A 59 76.076 -7.418 -9.223 1.00 0.00 O ATOM 874 CB VAL A 59 78.284 -5.228 -9.545 1.00 0.00 C ATOM 875 CG1 VAL A 59 79.115 -4.227 -10.359 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.067 -4.541 -8.906 1.00 0.00 C ATOM 0 H VAL A 59 75.983 -5.546 -10.995 1.00 0.00 H new ATOM 0 HA VAL A 59 78.695 -6.764 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 59 78.898 -5.628 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 59 79.438 -3.411 -9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.989 -4.730 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 59 78.509 -3.828 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.404 -3.733 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.426 -4.135 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.506 -5.268 -8.318 1.00 0.00 H new ATOM 886 N PRO A 60 77.974 -8.537 -9.316 1.00 0.00 N ATOM 887 CA PRO A 60 77.415 -9.682 -8.543 1.00 0.00 C ATOM 888 C PRO A 60 76.905 -9.235 -7.175 1.00 0.00 C ATOM 889 O PRO A 60 77.489 -8.349 -6.550 1.00 0.00 O ATOM 890 CB PRO A 60 78.570 -10.685 -8.410 1.00 0.00 C ATOM 891 CG PRO A 60 79.748 -10.127 -9.147 1.00 0.00 C ATOM 892 CD PRO A 60 79.311 -8.841 -9.855 1.00 0.00 C ATOM 0 HA PRO A 60 76.555 -10.124 -9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 60 78.817 -10.846 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 60 78.285 -11.653 -8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.565 -9.920 -8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.120 -10.851 -9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.009 -8.027 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.278 -8.979 -10.936 1.00 0.00 H new ATOM 900 N ASP A 61 75.773 -9.786 -6.749 1.00 0.00 N ATOM 901 CA ASP A 61 75.212 -9.462 -5.441 1.00 0.00 C ATOM 902 C ASP A 61 76.162 -9.840 -4.307 1.00 0.00 C ATOM 903 O ASP A 61 75.773 -9.824 -3.139 1.00 0.00 O ATOM 904 CB ASP A 61 73.862 -10.153 -5.249 1.00 0.00 C ATOM 905 CG ASP A 61 73.972 -11.636 -5.586 1.00 0.00 C ATOM 906 OD1 ASP A 61 74.714 -11.965 -6.498 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.263 -12.414 -4.969 1.00 0.00 O ATOM 0 H ASP A 61 75.227 -10.457 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 61 75.067 -8.382 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.527 -10.031 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.112 -9.683 -5.885 1.00 0.00 H new ATOM 912 N ARG A 62 77.321 -10.384 -4.662 1.00 0.00 N ATOM 913 CA ARG A 62 78.265 -10.866 -3.661 1.00 0.00 C ATOM 914 C ARG A 62 78.472 -9.838 -2.553 1.00 0.00 C ATOM 915 O ARG A 62 78.793 -10.191 -1.418 1.00 0.00 O ATOM 916 CB ARG A 62 79.599 -11.185 -4.341 1.00 0.00 C ATOM 917 CG ARG A 62 80.276 -9.906 -4.836 1.00 0.00 C ATOM 918 CD ARG A 62 81.563 -10.283 -5.570 1.00 0.00 C ATOM 919 NE ARG A 62 82.330 -9.084 -5.888 1.00 0.00 N ATOM 920 CZ ARG A 62 83.371 -8.709 -5.152 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.304 -8.776 -3.851 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.491 -8.379 -5.736 1.00 0.00 N ATOM 0 H ARG A 62 77.628 -10.502 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 62 77.858 -11.767 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.255 -11.701 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 62 79.432 -11.861 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.608 -9.359 -5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.499 -9.248 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.161 -10.953 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.323 -10.824 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 62 82.061 -8.520 -6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.454 -9.116 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.102 -8.489 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.564 -8.410 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.293 -8.090 -5.175 1.00 0.00 H new ATOM 936 N PHE A 63 78.238 -8.568 -2.868 1.00 0.00 N ATOM 937 CA PHE A 63 78.367 -7.514 -1.868 1.00 0.00 C ATOM 938 C PHE A 63 77.138 -7.496 -0.970 1.00 0.00 C ATOM 939 O PHE A 63 76.035 -7.804 -1.422 1.00 0.00 O ATOM 940 CB PHE A 63 78.507 -6.157 -2.559 1.00 0.00 C ATOM 941 CG PHE A 63 79.769 -6.161 -3.385 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.742 -6.698 -4.678 1.00 0.00 C ATOM 943 CD2 PHE A 63 80.897 -5.453 -2.951 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.892 -6.667 -5.474 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.058 -5.449 -3.734 1.00 0.00 C ATOM 946 CZ PHE A 63 82.050 -6.038 -5.003 1.00 0.00 C ATOM 0 H PHE A 63 77.961 -8.246 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 63 79.254 -7.709 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.641 -5.965 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.543 -5.358 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.832 -7.137 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 63 80.871 -4.912 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.886 -7.128 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.961 -4.991 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.937 -6.007 -5.619 1.00 0.00 H new ATOM 956 N SER A 64 77.317 -7.080 0.281 1.00 0.00 N ATOM 957 CA SER A 64 76.178 -6.984 1.191 1.00 0.00 C ATOM 958 C SER A 64 76.100 -5.611 1.841 1.00 0.00 C ATOM 959 O SER A 64 76.849 -5.307 2.761 1.00 0.00 O ATOM 960 CB SER A 64 76.242 -8.081 2.256 1.00 0.00 C ATOM 961 OG SER A 64 74.950 -8.306 2.802 1.00 0.00 O ATOM 0 H SER A 64 78.216 -6.810 0.681 1.00 0.00 H new ATOM 0 HA SER A 64 75.272 -7.125 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.626 -9.002 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.934 -7.791 3.047 1.00 0.00 H new ATOM 0 HG SER A 64 75.000 -9.011 3.481 1.00 0.00 H new ATOM 967 N GLY A 65 74.951 -4.987 1.633 1.00 0.00 N ATOM 968 CA GLY A 65 74.670 -3.658 2.156 1.00 0.00 C ATOM 969 C GLY A 65 73.564 -3.718 3.203 1.00 0.00 C ATOM 970 O GLY A 65 72.464 -4.193 2.923 1.00 0.00 O ATOM 0 H GLY A 65 74.184 -5.389 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.573 -3.236 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.373 -2.996 1.342 1.00 0.00 H new ATOM 974 N SER A 66 73.865 -3.265 4.416 1.00 0.00 N ATOM 975 CA SER A 66 72.876 -3.297 5.486 1.00 0.00 C ATOM 976 C SER A 66 73.230 -2.299 6.583 1.00 0.00 C ATOM 977 O SER A 66 74.381 -1.881 6.713 1.00 0.00 O ATOM 978 CB SER A 66 72.803 -4.703 6.082 1.00 0.00 C ATOM 979 OG SER A 66 73.947 -4.936 6.892 1.00 0.00 O ATOM 0 H SER A 66 74.771 -2.877 4.680 1.00 0.00 H new ATOM 0 HA SER A 66 71.908 -3.024 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 66 71.896 -4.811 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 66 72.752 -5.445 5.285 1.00 0.00 H new ATOM 0 HG SER A 66 73.899 -5.837 7.275 1.00 0.00 H new ATOM 985 N ILE A 67 72.218 -1.916 7.355 1.00 0.00 N ATOM 986 CA ILE A 67 72.375 -0.919 8.409 1.00 0.00 C ATOM 987 C ILE A 67 71.603 -1.336 9.656 1.00 0.00 C ATOM 988 O ILE A 67 70.936 -2.370 9.647 1.00 0.00 O ATOM 989 CB ILE A 67 71.854 0.438 7.927 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.442 0.286 7.348 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.779 1.013 6.849 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.404 -0.007 8.437 1.00 0.00 C ATOM 0 H ILE A 67 71.271 -2.285 7.269 1.00 0.00 H new ATOM 0 HA ILE A 67 73.435 -0.841 8.652 1.00 0.00 H new ATOM 0 HB ILE A 67 71.828 1.117 8.780 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.166 1.199 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.436 -0.520 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.395 1.978 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.780 1.143 7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.821 0.328 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.418 -0.107 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.664 -0.934 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.390 0.812 9.156 1.00 0.00 H new ATOM 1004 N ASP A 68 71.981 -0.750 10.789 1.00 0.00 N ATOM 1005 CA ASP A 68 71.312 -1.005 12.062 1.00 0.00 C ATOM 1006 C ASP A 68 70.386 0.135 12.482 1.00 0.00 C ATOM 1007 O ASP A 68 70.633 1.298 12.165 1.00 0.00 O ATOM 1008 CB ASP A 68 72.376 -1.277 13.125 1.00 0.00 C ATOM 1009 CG ASP A 68 73.012 -2.640 12.869 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.415 -3.436 12.162 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.134 -2.836 13.306 1.00 0.00 O ATOM 0 H ASP A 68 72.755 -0.089 10.851 1.00 0.00 H new ATOM 0 HA ASP A 68 70.669 -1.877 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.138 -0.498 13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.928 -1.253 14.118 1.00 0.00 H new ATOM 1016 N SER A 69 69.360 -0.200 13.262 1.00 0.00 N ATOM 1017 CA SER A 69 68.472 0.807 13.837 1.00 0.00 C ATOM 1018 C SER A 69 69.166 1.578 14.957 1.00 0.00 C ATOM 1019 O SER A 69 68.517 2.076 15.878 1.00 0.00 O ATOM 1020 CB SER A 69 67.206 0.132 14.377 1.00 0.00 C ATOM 1021 OG SER A 69 66.308 -0.115 13.305 1.00 0.00 O ATOM 0 H SER A 69 69.124 -1.161 13.510 1.00 0.00 H new ATOM 0 HA SER A 69 68.204 1.515 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.463 -0.804 14.873 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.732 0.769 15.124 1.00 0.00 H new ATOM 0 HG SER A 69 65.499 -0.548 13.649 1.00 0.00 H new ATOM 1027 N SER A 70 70.490 1.676 14.872 1.00 0.00 N ATOM 1028 CA SER A 70 71.272 2.423 15.852 1.00 0.00 C ATOM 1029 C SER A 70 71.584 3.819 15.324 1.00 0.00 C ATOM 1030 O SER A 70 71.692 4.770 16.098 1.00 0.00 O ATOM 1031 CB SER A 70 72.568 1.664 16.152 1.00 0.00 C ATOM 1032 OG SER A 70 72.309 0.686 17.149 1.00 0.00 O ATOM 0 H SER A 70 71.045 1.246 14.132 1.00 0.00 H new ATOM 0 HA SER A 70 70.696 2.526 16.772 1.00 0.00 H new ATOM 0 HB2 SER A 70 72.944 1.188 15.246 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.339 2.355 16.493 1.00 0.00 H new ATOM 0 HG SER A 70 73.133 0.194 17.346 1.00 0.00 H new ATOM 1038 N SER A 71 71.910 3.893 14.039 1.00 0.00 N ATOM 1039 CA SER A 71 72.259 5.165 13.418 1.00 0.00 C ATOM 1040 C SER A 71 73.697 5.539 13.766 1.00 0.00 C ATOM 1041 O SER A 71 73.996 6.707 14.013 1.00 0.00 O ATOM 1042 CB SER A 71 71.286 6.267 13.851 1.00 0.00 C ATOM 1043 OG SER A 71 69.995 5.704 14.033 1.00 0.00 O ATOM 0 H SER A 71 71.940 3.091 13.409 1.00 0.00 H new ATOM 0 HA SER A 71 72.180 5.059 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.629 6.728 14.777 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.250 7.054 13.097 1.00 0.00 H new ATOM 0 HG SER A 71 69.369 6.405 14.312 1.00 0.00 H new ATOM 1049 N ASN A 72 74.515 4.522 14.026 1.00 0.00 N ATOM 1050 CA ASN A 72 75.875 4.741 14.509 1.00 0.00 C ATOM 1051 C ASN A 72 76.876 4.628 13.362 1.00 0.00 C ATOM 1052 O ASN A 72 77.904 5.304 13.389 1.00 0.00 O ATOM 1053 CB ASN A 72 76.220 3.712 15.592 1.00 0.00 C ATOM 1054 CG ASN A 72 77.338 4.234 16.491 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.305 5.390 16.914 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.349 3.461 16.784 1.00 0.00 N ATOM 0 H ASN A 72 74.260 3.541 13.911 1.00 0.00 H new ATOM 0 HA ASN A 72 75.932 5.745 14.930 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.335 3.496 16.191 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.527 2.775 15.127 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.111 3.815 17.363 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.377 2.503 16.434 1.00 0.00 H new ATOM 1063 N SER A 73 76.586 3.750 12.402 1.00 0.00 N ATOM 1064 CA SER A 73 77.448 3.571 11.233 1.00 0.00 C ATOM 1065 C SER A 73 76.828 2.560 10.271 1.00 0.00 C ATOM 1066 O SER A 73 76.079 1.688 10.707 1.00 0.00 O ATOM 1067 CB SER A 73 78.845 3.100 11.645 1.00 0.00 C ATOM 1068 OG SER A 73 78.809 1.708 11.922 1.00 0.00 O ATOM 0 H SER A 73 75.760 3.151 12.411 1.00 0.00 H new ATOM 0 HA SER A 73 77.542 4.536 10.734 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.560 3.305 10.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.181 3.649 12.525 1.00 0.00 H new ATOM 0 HG SER A 73 79.703 1.403 12.184 1.00 0.00 H new ATOM 1074 N ALA A 74 77.406 2.438 9.078 1.00 0.00 N ATOM 1075 CA ALA A 74 76.865 1.539 8.060 1.00 0.00 C ATOM 1076 C ALA A 74 77.807 0.356 7.860 1.00 0.00 C ATOM 1077 O ALA A 74 79.028 0.515 7.900 1.00 0.00 O ATOM 1078 CB ALA A 74 76.703 2.288 6.733 1.00 0.00 C ATOM 0 H ALA A 74 78.243 2.946 8.793 1.00 0.00 H new ATOM 0 HA ALA A 74 75.892 1.177 8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.299 1.611 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.021 3.127 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.674 2.660 6.404 1.00 0.00 H new ATOM 1084 N SER A 75 77.229 -0.843 7.823 1.00 0.00 N ATOM 1085 CA SER A 75 78.021 -2.078 7.780 1.00 0.00 C ATOM 1086 C SER A 75 77.624 -3.008 6.634 1.00 0.00 C ATOM 1087 O SER A 75 76.431 -3.087 6.338 1.00 0.00 O ATOM 1088 CB SER A 75 77.823 -2.859 9.079 1.00 0.00 C ATOM 1089 OG SER A 75 77.996 -1.994 10.191 1.00 0.00 O ATOM 0 H SER A 75 76.220 -0.989 7.822 1.00 0.00 H new ATOM 0 HA SER A 75 79.056 -1.768 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.826 -3.300 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.536 -3.682 9.132 1.00 0.00 H new ATOM 0 HG SER A 75 77.866 -2.498 11.021 1.00 0.00 H new ATOM 1095 N LEU A 76 78.544 -3.154 5.683 1.00 0.00 N ATOM 1096 CA LEU A 76 78.492 -4.171 4.630 1.00 0.00 C ATOM 1097 C LEU A 76 79.299 -5.450 4.865 1.00 0.00 C ATOM 1098 O LEU A 76 80.500 -5.363 5.103 1.00 0.00 O ATOM 1099 CB LEU A 76 78.755 -3.506 3.275 1.00 0.00 C ATOM 1100 CG LEU A 76 79.355 -4.486 2.255 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.013 -4.014 0.835 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.876 -4.571 2.449 1.00 0.00 C ATOM 0 H LEU A 76 79.367 -2.555 5.620 1.00 0.00 H new ATOM 0 HA LEU A 76 77.480 -4.574 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.822 -3.102 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.434 -2.664 3.411 1.00 0.00 H new ATOM 0 HG LEU A 76 78.934 -5.480 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.437 -4.707 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.930 -3.980 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.428 -3.019 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.297 -5.267 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.317 -3.585 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.095 -4.922 3.458 1.00 0.00 H new ATOM 1114 N THR A 77 78.752 -6.604 4.487 1.00 0.00 N ATOM 1115 CA THR A 77 79.550 -7.822 4.325 1.00 0.00 C ATOM 1116 C THR A 77 79.748 -8.229 2.863 1.00 0.00 C ATOM 1117 O THR A 77 78.798 -8.547 2.152 1.00 0.00 O ATOM 1118 CB THR A 77 78.827 -8.942 5.071 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.759 -8.617 6.451 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.556 -10.277 4.897 1.00 0.00 C ATOM 0 H THR A 77 77.759 -6.723 4.287 1.00 0.00 H new ATOM 0 HA THR A 77 80.546 -7.634 4.725 1.00 0.00 H new ATOM 0 HB THR A 77 77.823 -9.042 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.294 -9.333 6.933 1.00 0.00 H new ATOM 0 HG21 THR A 77 79.021 -11.057 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.598 -10.533 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.569 -10.192 5.291 1.00 0.00 H new ATOM 1128 N ILE A 78 80.991 -8.515 2.485 1.00 0.00 N ATOM 1129 CA ILE A 78 81.299 -9.029 1.150 1.00 0.00 C ATOM 1130 C ILE A 78 81.658 -10.510 1.221 1.00 0.00 C ATOM 1131 O ILE A 78 82.758 -10.871 1.638 1.00 0.00 O ATOM 1132 CB ILE A 78 82.451 -8.214 0.548 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.907 -6.903 -0.040 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.183 -9.002 -0.546 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.921 -5.778 0.168 1.00 0.00 C ATOM 0 H ILE A 78 81.806 -8.399 3.087 1.00 0.00 H new ATOM 0 HA ILE A 78 80.422 -8.929 0.510 1.00 0.00 H new ATOM 0 HB ILE A 78 83.162 -7.997 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.703 -7.028 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.962 -6.645 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 78 83.993 -8.395 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.593 -9.918 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.484 -9.253 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.528 -4.852 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.103 -5.645 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.856 -6.034 -0.330 1.00 0.00 H new ATOM 1147 N SER A 79 80.776 -11.349 0.685 1.00 0.00 N ATOM 1148 CA SER A 79 81.027 -12.785 0.595 1.00 0.00 C ATOM 1149 C SER A 79 81.551 -13.170 -0.785 1.00 0.00 C ATOM 1150 O SER A 79 80.994 -12.758 -1.800 1.00 0.00 O ATOM 1151 CB SER A 79 79.731 -13.544 0.891 1.00 0.00 C ATOM 1152 OG SER A 79 79.707 -14.758 0.154 1.00 0.00 O ATOM 0 H SER A 79 79.876 -11.057 0.304 1.00 0.00 H new ATOM 0 HA SER A 79 81.789 -13.050 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.657 -13.754 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.870 -12.930 0.626 1.00 0.00 H new ATOM 0 HG SER A 79 78.877 -15.242 0.347 1.00 0.00 H new ATOM 1158 N GLY A 80 82.527 -14.072 -0.821 1.00 0.00 N ATOM 1159 CA GLY A 80 83.077 -14.540 -2.089 1.00 0.00 C ATOM 1160 C GLY A 80 84.081 -13.541 -2.655 1.00 0.00 C ATOM 1161 O GLY A 80 84.037 -13.201 -3.838 1.00 0.00 O ATOM 0 H GLY A 80 82.951 -14.491 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.562 -15.505 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.269 -14.693 -2.805 1.00 0.00 H new ATOM 1165 N LEU A 81 84.971 -13.062 -1.792 1.00 0.00 N ATOM 1166 CA LEU A 81 86.015 -12.127 -2.199 1.00 0.00 C ATOM 1167 C LEU A 81 87.052 -12.829 -3.068 1.00 0.00 C ATOM 1168 O LEU A 81 87.395 -13.988 -2.837 1.00 0.00 O ATOM 1169 CB LEU A 81 86.664 -11.528 -0.946 1.00 0.00 C ATOM 1170 CG LEU A 81 87.984 -10.819 -1.285 1.00 0.00 C ATOM 1171 CD1 LEU A 81 88.151 -9.575 -0.408 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.180 -11.757 -1.077 1.00 0.00 C ATOM 0 H LEU A 81 84.990 -13.307 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 81 85.577 -11.325 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.978 -10.820 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.849 -12.317 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 81 87.951 -10.525 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 81 89.089 -9.079 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.321 -8.891 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 81 88.161 -9.869 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.102 -11.231 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.213 -12.079 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.075 -12.629 -1.723 1.00 0.00 H new ATOM 1184 N LYS A 82 87.561 -12.103 -4.058 1.00 0.00 N ATOM 1185 CA LYS A 82 88.571 -12.647 -4.956 1.00 0.00 C ATOM 1186 C LYS A 82 89.427 -11.515 -5.512 1.00 0.00 C ATOM 1187 O LYS A 82 89.092 -10.341 -5.358 1.00 0.00 O ATOM 1188 CB LYS A 82 87.877 -13.429 -6.081 1.00 0.00 C ATOM 1189 CG LYS A 82 88.257 -14.910 -6.021 1.00 0.00 C ATOM 1190 CD LYS A 82 87.301 -15.754 -6.867 1.00 0.00 C ATOM 1191 CE LYS A 82 87.578 -15.523 -8.353 1.00 0.00 C ATOM 1192 NZ LYS A 82 86.785 -16.499 -9.152 1.00 0.00 N ATOM 0 H LYS A 82 87.291 -11.140 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 82 89.227 -13.329 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.796 -13.322 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.161 -13.014 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.278 -15.042 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.234 -15.254 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.423 -16.810 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.269 -15.492 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.311 -14.504 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 82 88.641 -15.642 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 86.968 -16.348 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.061 -17.467 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.772 -16.364 -8.959 1.00 0.00 H new ATOM 1206 N THR A 83 90.477 -11.882 -6.236 1.00 0.00 N ATOM 1207 CA THR A 83 91.323 -10.886 -6.882 1.00 0.00 C ATOM 1208 C THR A 83 90.451 -9.850 -7.578 1.00 0.00 C ATOM 1209 O THR A 83 90.912 -8.762 -7.925 1.00 0.00 O ATOM 1210 CB THR A 83 92.272 -11.544 -7.888 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.987 -10.538 -8.592 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.487 -12.397 -8.888 1.00 0.00 C ATOM 0 H THR A 83 90.761 -12.850 -6.390 1.00 0.00 H new ATOM 0 HA THR A 83 91.929 -10.395 -6.120 1.00 0.00 H new ATOM 0 HB THR A 83 92.967 -12.185 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.596 -10.958 -9.235 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.178 -12.857 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.943 -13.176 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.781 -11.767 -9.428 1.00 0.00 H new ATOM 1220 N GLU A 84 89.205 -10.235 -7.835 1.00 0.00 N ATOM 1221 CA GLU A 84 88.256 -9.306 -8.436 1.00 0.00 C ATOM 1222 C GLU A 84 87.879 -8.199 -7.455 1.00 0.00 C ATOM 1223 O GLU A 84 87.811 -7.029 -7.833 1.00 0.00 O ATOM 1224 CB GLU A 84 87.006 -10.063 -8.893 1.00 0.00 C ATOM 1225 CG GLU A 84 87.223 -10.653 -10.289 1.00 0.00 C ATOM 1226 CD GLU A 84 86.204 -11.754 -10.559 1.00 0.00 C ATOM 1227 OE1 GLU A 84 85.288 -11.894 -9.766 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.362 -12.449 -11.549 1.00 0.00 O ATOM 0 H GLU A 84 88.834 -11.165 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 84 88.728 -8.841 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.776 -10.860 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.149 -9.390 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.131 -9.870 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.233 -11.055 -10.369 1.00 0.00 H new ATOM 1235 N ASP A 85 87.697 -8.553 -6.187 1.00 0.00 N ATOM 1236 CA ASP A 85 87.339 -7.553 -5.189 1.00 0.00 C ATOM 1237 C ASP A 85 88.524 -6.631 -4.918 1.00 0.00 C ATOM 1238 O ASP A 85 88.375 -5.572 -4.307 1.00 0.00 O ATOM 1239 CB ASP A 85 86.922 -8.267 -3.899 1.00 0.00 C ATOM 1240 CG ASP A 85 85.855 -7.477 -3.149 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.951 -6.980 -3.799 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.006 -7.307 -1.951 1.00 0.00 O ATOM 0 H ASP A 85 87.789 -9.505 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 85 86.511 -6.948 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.542 -9.260 -4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.793 -8.404 -3.259 1.00 0.00 H new ATOM 1247 N GLU A 86 89.685 -7.012 -5.439 1.00 0.00 N ATOM 1248 CA GLU A 86 90.890 -6.212 -5.257 1.00 0.00 C ATOM 1249 C GLU A 86 90.699 -4.831 -5.872 1.00 0.00 C ATOM 1250 O GLU A 86 90.485 -4.707 -7.078 1.00 0.00 O ATOM 1251 CB GLU A 86 92.079 -6.906 -5.925 1.00 0.00 C ATOM 1252 CG GLU A 86 93.385 -6.267 -5.453 1.00 0.00 C ATOM 1253 CD GLU A 86 94.580 -7.040 -6.000 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.428 -8.223 -6.256 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.651 -6.461 -6.069 1.00 0.00 O ATOM 0 H GLU A 86 89.817 -7.863 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 86 91.083 -6.106 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.075 -7.969 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.996 -6.827 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.431 -5.230 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.419 -6.255 -4.364 1.00 0.00 H new ATOM 1262 N ALA A 87 90.867 -3.795 -5.055 1.00 0.00 N ATOM 1263 CA ALA A 87 90.749 -2.418 -5.525 1.00 0.00 C ATOM 1264 C ALA A 87 90.469 -1.490 -4.346 1.00 0.00 C ATOM 1265 O ALA A 87 90.381 -1.933 -3.202 1.00 0.00 O ATOM 1266 CB ALA A 87 89.635 -2.290 -6.571 1.00 0.00 C ATOM 0 H ALA A 87 91.086 -3.883 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 87 91.691 -2.132 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.567 -1.255 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.860 -2.932 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.685 -2.592 -6.130 1.00 0.00 H new ATOM 1272 N ASP A 88 90.343 -0.198 -4.636 1.00 0.00 N ATOM 1273 CA ASP A 88 90.008 0.788 -3.615 1.00 0.00 C ATOM 1274 C ASP A 88 88.496 0.913 -3.454 1.00 0.00 C ATOM 1275 O ASP A 88 87.743 0.670 -4.396 1.00 0.00 O ATOM 1276 CB ASP A 88 90.600 2.146 -3.994 1.00 0.00 C ATOM 1277 CG ASP A 88 92.108 2.136 -3.779 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.732 1.160 -4.160 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.625 3.135 -3.309 1.00 0.00 O ATOM 0 H ASP A 88 90.468 0.190 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 88 90.430 0.457 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.375 2.372 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.144 2.932 -3.392 1.00 0.00 H new ATOM 1284 N TYR A 89 88.057 1.209 -2.234 1.00 0.00 N ATOM 1285 CA TYR A 89 86.634 1.309 -1.923 1.00 0.00 C ATOM 1286 C TYR A 89 86.265 2.734 -1.519 1.00 0.00 C ATOM 1287 O TYR A 89 87.034 3.413 -0.839 1.00 0.00 O ATOM 1288 CB TYR A 89 86.303 0.344 -0.781 1.00 0.00 C ATOM 1289 CG TYR A 89 86.219 -1.066 -1.316 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.367 -1.685 -1.824 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.009 -1.769 -1.265 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.294 -2.985 -2.333 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.932 -3.066 -1.784 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.072 -3.667 -2.333 1.00 0.00 C ATOM 1295 OH TYR A 89 85.997 -4.934 -2.871 1.00 0.00 O ATOM 0 H TYR A 89 88.671 1.385 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 89 86.059 1.047 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.068 0.405 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.357 0.624 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.310 -1.158 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.136 -1.310 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.180 -3.462 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.995 -3.603 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 89 85.058 -5.168 -3.028 1.00 0.00 H new ATOM 1305 N TYR A 90 85.054 3.149 -1.881 1.00 0.00 N ATOM 1306 CA TYR A 90 84.555 4.482 -1.553 1.00 0.00 C ATOM 1307 C TYR A 90 83.057 4.421 -1.256 1.00 0.00 C ATOM 1308 O TYR A 90 82.350 3.609 -1.856 1.00 0.00 O ATOM 1309 CB TYR A 90 84.819 5.423 -2.731 1.00 0.00 C ATOM 1310 CG TYR A 90 86.245 5.262 -3.209 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.585 4.182 -4.032 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.196 6.257 -2.950 1.00 0.00 C ATOM 1313 CE1 TYR A 90 87.902 4.028 -4.480 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.513 6.109 -3.405 1.00 0.00 C ATOM 1315 CZ TYR A 90 88.854 5.019 -4.214 1.00 0.00 C ATOM 1316 OH TYR A 90 90.146 4.880 -4.675 1.00 0.00 O ATOM 0 H TYR A 90 84.394 2.575 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 90 85.070 4.856 -0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.127 5.205 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.642 6.455 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.830 3.466 -4.322 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.913 7.141 -2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 90 88.184 3.143 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.264 6.835 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 90 90.676 5.658 -4.403 1.00 0.00 H new ATOM 1326 N CYS A 91 82.559 5.314 -0.397 1.00 0.00 N ATOM 1327 CA CYS A 91 81.123 5.413 -0.119 1.00 0.00 C ATOM 1328 C CYS A 91 80.624 6.806 -0.516 1.00 0.00 C ATOM 1329 O CYS A 91 81.271 7.796 -0.174 1.00 0.00 O ATOM 1330 CB CYS A 91 80.747 5.114 1.352 1.00 0.00 C ATOM 1331 SG CYS A 91 81.962 4.209 2.361 1.00 0.00 S ATOM 0 H CYS A 91 83.131 5.982 0.120 1.00 0.00 H new ATOM 0 HA CYS A 91 80.635 4.642 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.539 6.063 1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 91 79.818 4.544 1.353 1.00 0.00 H new ATOM 1336 N GLN A 92 79.412 6.913 -1.068 1.00 0.00 N ATOM 1337 CA GLN A 92 78.796 8.219 -1.318 1.00 0.00 C ATOM 1338 C GLN A 92 77.407 8.295 -0.693 1.00 0.00 C ATOM 1339 O GLN A 92 76.572 7.422 -0.926 1.00 0.00 O ATOM 1340 CB GLN A 92 78.706 8.503 -2.821 1.00 0.00 C ATOM 1341 CG GLN A 92 77.925 9.794 -3.088 1.00 0.00 C ATOM 1342 CD GLN A 92 78.027 10.177 -4.561 1.00 0.00 C ATOM 1343 OE1 GLN A 92 78.873 9.649 -5.283 1.00 0.00 O ATOM 1344 NE2 GLN A 92 77.192 11.043 -5.071 1.00 0.00 N ATOM 0 H GLN A 92 78.841 6.116 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 92 79.430 8.976 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.709 8.587 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.219 7.668 -3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 92 76.879 9.659 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 92 78.317 10.600 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 92 76.489 11.484 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 92 77.243 11.278 -6.062 1.00 0.00 H new ATOM 1353 N SER A 93 77.195 9.264 0.198 1.00 0.00 N ATOM 1354 CA SER A 93 75.913 9.390 0.881 1.00 0.00 C ATOM 1355 C SER A 93 75.457 10.843 0.902 1.00 0.00 C ATOM 1356 O SER A 93 76.119 11.718 0.344 1.00 0.00 O ATOM 1357 CB SER A 93 76.033 8.858 2.314 1.00 0.00 C ATOM 1358 OG SER A 93 75.589 9.833 3.248 1.00 0.00 O ATOM 0 H SER A 93 77.888 9.965 0.460 1.00 0.00 H new ATOM 0 HA SER A 93 75.171 8.803 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.442 7.948 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.069 8.591 2.523 1.00 0.00 H new ATOM 0 HG SER A 93 75.671 9.476 4.157 1.00 0.00 H new ATOM 1364 N TYR A 94 74.326 11.077 1.562 1.00 0.00 N ATOM 1365 CA TYR A 94 73.771 12.421 1.675 1.00 0.00 C ATOM 1366 C TYR A 94 73.146 12.630 3.051 1.00 0.00 C ATOM 1367 O TYR A 94 72.203 11.934 3.424 1.00 0.00 O ATOM 1368 CB TYR A 94 72.730 12.642 0.576 1.00 0.00 C ATOM 1369 CG TYR A 94 73.083 11.820 -0.643 1.00 0.00 C ATOM 1370 CD1 TYR A 94 74.215 12.130 -1.410 1.00 0.00 C ATOM 1371 CD2 TYR A 94 72.361 10.653 -0.920 1.00 0.00 C ATOM 1372 CE1 TYR A 94 74.548 11.343 -2.519 1.00 0.00 C ATOM 1373 CE2 TYR A 94 72.676 9.880 -2.044 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.776 10.220 -2.839 1.00 0.00 C ATOM 1375 OH TYR A 94 74.097 9.446 -3.936 1.00 0.00 O ATOM 0 H TYR A 94 73.777 10.353 2.026 1.00 0.00 H new ATOM 0 HA TYR A 94 74.575 13.147 1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 94 71.741 12.363 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 94 72.686 13.699 0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 94 74.831 12.977 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 94 71.559 10.348 -0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 94 75.401 11.603 -3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 94 72.071 9.022 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 94 74.845 8.855 -3.711 1.00 0.00 H new ATOM 1385 N ASP A 95 73.512 13.744 3.675 1.00 0.00 N ATOM 1386 CA ASP A 95 72.948 14.136 4.962 1.00 0.00 C ATOM 1387 C ASP A 95 72.394 15.554 4.878 1.00 0.00 C ATOM 1388 O ASP A 95 71.806 15.938 3.868 1.00 0.00 O ATOM 1389 CB ASP A 95 74.041 14.073 6.032 1.00 0.00 C ATOM 1390 CG ASP A 95 73.426 14.052 7.428 1.00 0.00 C ATOM 1391 OD1 ASP A 95 72.212 13.997 7.521 1.00 0.00 O ATOM 1392 OD2 ASP A 95 74.184 14.052 8.383 1.00 0.00 O ATOM 0 H ASP A 95 74.203 14.397 3.306 1.00 0.00 H new ATOM 0 HA ASP A 95 72.138 13.455 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 95 74.651 13.182 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 95 74.704 14.933 5.934 1.00 0.00 H new ATOM 1397 N SER A 96 72.500 16.294 5.977 1.00 0.00 N ATOM 1398 CA SER A 96 71.955 17.645 6.028 1.00 0.00 C ATOM 1399 C SER A 96 72.405 18.453 4.813 1.00 0.00 C ATOM 1400 O SER A 96 71.938 19.571 4.596 1.00 0.00 O ATOM 1401 CB SER A 96 72.383 18.326 7.332 1.00 0.00 C ATOM 1402 OG SER A 96 71.248 18.934 7.930 1.00 0.00 O ATOM 0 H SER A 96 72.954 15.984 6.836 1.00 0.00 H new ATOM 0 HA SER A 96 70.867 17.591 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 96 72.821 17.595 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 96 73.150 19.075 7.132 1.00 0.00 H new ATOM 0 HG SER A 96 71.513 19.371 8.766 1.00 0.00 H new ATOM 1408 N SER A 97 73.392 17.932 4.091 1.00 0.00 N ATOM 1409 CA SER A 97 73.931 18.638 2.935 1.00 0.00 C ATOM 1410 C SER A 97 73.074 18.377 1.700 1.00 0.00 C ATOM 1411 O SER A 97 73.387 18.843 0.605 1.00 0.00 O ATOM 1412 CB SER A 97 75.359 18.168 2.659 1.00 0.00 C ATOM 1413 OG SER A 97 75.977 19.040 1.725 1.00 0.00 O ATOM 0 H SER A 97 73.831 17.032 4.284 1.00 0.00 H new ATOM 0 HA SER A 97 73.928 19.706 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 97 75.931 18.148 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 97 75.348 17.150 2.269 1.00 0.00 H new ATOM 0 HG SER A 97 75.329 19.291 1.034 1.00 0.00 H new ATOM 1419 N ASN A 98 71.963 17.673 1.892 1.00 0.00 N ATOM 1420 CA ASN A 98 71.048 17.385 0.793 1.00 0.00 C ATOM 1421 C ASN A 98 71.830 16.907 -0.429 1.00 0.00 C ATOM 1422 O ASN A 98 72.340 17.717 -1.203 1.00 0.00 O ATOM 1423 CB ASN A 98 70.197 18.619 0.451 1.00 0.00 C ATOM 1424 CG ASN A 98 70.699 19.859 1.183 1.00 0.00 C ATOM 1425 OD1 ASN A 98 70.626 19.928 2.410 1.00 0.00 O ATOM 1426 ND2 ASN A 98 71.316 20.794 0.513 1.00 0.00 N ATOM 0 H ASN A 98 71.675 17.293 2.794 1.00 0.00 H new ATOM 0 HA ASN A 98 70.370 16.590 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 98 70.222 18.794 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 98 69.157 18.432 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 98 71.737 21.581 1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 98 71.377 20.737 -0.504 1.00 0.00 H new ATOM 1433 N HIS A 99 71.805 15.599 -0.667 1.00 0.00 N ATOM 1434 CA HIS A 99 72.405 15.019 -1.866 1.00 0.00 C ATOM 1435 C HIS A 99 73.915 15.245 -1.923 1.00 0.00 C ATOM 1436 O HIS A 99 74.456 15.474 -3.004 1.00 0.00 O ATOM 1437 CB HIS A 99 71.746 15.593 -3.123 1.00 0.00 C ATOM 1438 CG HIS A 99 70.281 15.818 -2.866 1.00 0.00 C ATOM 1439 ND1 HIS A 99 69.383 14.783 -2.654 1.00 0.00 N ATOM 1440 CD2 HIS A 99 69.542 16.975 -2.794 1.00 0.00 C ATOM 1441 CE1 HIS A 99 68.167 15.329 -2.482 1.00 0.00 C ATOM 1442 NE2 HIS A 99 68.208 16.662 -2.545 1.00 0.00 N ATOM 0 H HIS A 99 71.374 14.917 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 99 72.233 13.944 -1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 99 72.225 16.532 -3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 99 71.878 14.908 -3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 99 69.936 17.974 -2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 99 67.266 14.758 -2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 99 67.429 17.312 -2.434 1.00 0.00 H new ATOM 1450 N VAL A 100 74.589 15.311 -0.775 1.00 0.00 N ATOM 1451 CA VAL A 100 76.032 15.544 -0.771 1.00 0.00 C ATOM 1452 C VAL A 100 76.720 14.913 0.439 1.00 0.00 C ATOM 1453 O VAL A 100 76.699 15.476 1.533 1.00 0.00 O ATOM 1454 CB VAL A 100 76.279 17.055 -0.799 1.00 0.00 C ATOM 1455 CG1 VAL A 100 77.761 17.357 -0.562 1.00 0.00 C ATOM 1456 CG2 VAL A 100 75.854 17.631 -2.153 1.00 0.00 C ATOM 0 H VAL A 100 74.168 15.208 0.148 1.00 0.00 H new ATOM 0 HA VAL A 100 76.462 15.070 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 100 75.689 17.516 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 100 77.921 18.435 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 100 78.061 16.966 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 100 78.358 16.885 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 100 76.033 18.706 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 100 76.433 17.159 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 100 74.793 17.439 -2.313 1.00 0.00 H new ATOM 1466 N VAL A 101 77.530 13.888 0.185 1.00 0.00 N ATOM 1467 CA VAL A 101 78.470 13.365 1.170 1.00 0.00 C ATOM 1468 C VAL A 101 79.264 12.242 0.506 1.00 0.00 C ATOM 1469 O VAL A 101 78.672 11.356 -0.111 1.00 0.00 O ATOM 1470 CB VAL A 101 77.709 12.887 2.418 1.00 0.00 C ATOM 1471 CG1 VAL A 101 78.048 11.443 2.801 1.00 0.00 C ATOM 1472 CG2 VAL A 101 78.038 13.765 3.627 1.00 0.00 C ATOM 0 H VAL A 101 77.552 13.398 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 101 79.164 14.136 1.505 1.00 0.00 H new ATOM 0 HB VAL A 101 76.652 12.953 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 101 77.482 11.160 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 101 77.789 10.778 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 101 79.115 11.363 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 101 77.488 13.407 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 101 79.108 13.719 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 101 77.753 14.796 3.416 1.00 0.00 H new ATOM 1482 N PHE A 102 80.563 12.175 0.782 1.00 0.00 N ATOM 1483 CA PHE A 102 81.390 11.131 0.189 1.00 0.00 C ATOM 1484 C PHE A 102 82.674 10.900 0.976 1.00 0.00 C ATOM 1485 O PHE A 102 83.147 11.780 1.694 1.00 0.00 O ATOM 1486 CB PHE A 102 81.720 11.484 -1.264 1.00 0.00 C ATOM 1487 CG PHE A 102 82.051 12.954 -1.359 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.271 13.428 -0.860 1.00 0.00 C ATOM 1489 CD2 PHE A 102 81.110 13.854 -1.875 1.00 0.00 C ATOM 1490 CE1 PHE A 102 83.558 14.797 -0.901 1.00 0.00 C ATOM 1491 CE2 PHE A 102 81.408 15.220 -1.938 1.00 0.00 C ATOM 1492 CZ PHE A 102 82.623 15.695 -1.430 1.00 0.00 C ATOM 0 H PHE A 102 81.058 12.818 1.400 1.00 0.00 H new ATOM 0 HA PHE A 102 80.817 10.204 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.562 10.887 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 102 80.873 11.248 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 102 83.990 12.737 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 102 80.154 13.494 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 102 84.502 15.161 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 102 80.701 15.907 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 102 82.839 16.753 -1.446 1.00 0.00 H new ATOM 1502 N GLY A 103 83.161 9.664 0.906 1.00 0.00 N ATOM 1503 CA GLY A 103 84.405 9.300 1.572 1.00 0.00 C ATOM 1504 C GLY A 103 84.455 7.794 1.804 1.00 0.00 C ATOM 1505 O GLY A 103 83.448 7.103 1.654 1.00 0.00 O ATOM 0 H GLY A 103 82.714 8.901 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.256 9.611 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.484 9.825 2.524 1.00 0.00 H new ATOM 1509 N GLY A 104 85.621 7.295 2.203 1.00 0.00 N ATOM 1510 CA GLY A 104 85.789 5.874 2.490 1.00 0.00 C ATOM 1511 C GLY A 104 86.905 5.281 1.637 1.00 0.00 C ATOM 1512 O GLY A 104 86.996 4.066 1.467 1.00 0.00 O ATOM 0 H GLY A 104 86.464 7.854 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.019 5.736 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.856 5.346 2.295 1.00 0.00 H new ATOM 1516 N GLY A 105 87.755 6.146 1.095 1.00 0.00 N ATOM 1517 CA GLY A 105 88.885 5.677 0.304 1.00 0.00 C ATOM 1518 C GLY A 105 89.686 4.638 1.081 1.00 0.00 C ATOM 1519 O GLY A 105 90.721 4.958 1.666 1.00 0.00 O ATOM 0 H GLY A 105 87.685 7.159 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.528 5.245 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.527 6.518 0.042 1.00 0.00 H new ATOM 1523 N THR A 106 89.270 3.377 0.995 1.00 0.00 N ATOM 1524 CA THR A 106 89.957 2.298 1.699 1.00 0.00 C ATOM 1525 C THR A 106 90.634 1.365 0.702 1.00 0.00 C ATOM 1526 O THR A 106 90.053 1.021 -0.327 1.00 0.00 O ATOM 1527 CB THR A 106 88.966 1.487 2.537 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.304 2.343 3.456 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.730 0.405 3.303 1.00 0.00 C ATOM 0 H THR A 106 88.463 3.078 0.447 1.00 0.00 H new ATOM 0 HA THR A 106 90.705 2.746 2.353 1.00 0.00 H new ATOM 0 HB THR A 106 88.226 1.024 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.449 2.633 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 106 89.031 -0.178 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.237 -0.252 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.467 0.873 3.956 1.00 0.00 H new ATOM 1537 N LYS A 107 91.911 1.076 0.939 1.00 0.00 N ATOM 1538 CA LYS A 107 92.677 0.229 0.031 1.00 0.00 C ATOM 1539 C LYS A 107 92.557 -1.235 0.445 1.00 0.00 C ATOM 1540 O LYS A 107 93.143 -1.658 1.442 1.00 0.00 O ATOM 1541 CB LYS A 107 94.149 0.653 0.046 1.00 0.00 C ATOM 1542 CG LYS A 107 94.820 0.242 -1.267 1.00 0.00 C ATOM 1543 CD LYS A 107 96.323 0.513 -1.189 1.00 0.00 C ATOM 1544 CE LYS A 107 96.951 0.238 -2.557 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.333 -0.978 -3.157 1.00 0.00 N ATOM 0 H LYS A 107 92.434 1.414 1.747 1.00 0.00 H new ATOM 0 HA LYS A 107 92.278 0.343 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.225 1.732 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.662 0.189 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.642 -0.816 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.384 0.797 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.504 1.546 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.781 -0.121 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.804 1.095 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 107 98.027 0.097 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 96.937 -1.330 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 96.237 -1.714 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 95.394 -0.740 -3.535 1.00 0.00 H new ATOM 1559 N LEU A 108 91.864 -2.024 -0.371 1.00 0.00 N ATOM 1560 CA LEU A 108 91.722 -3.454 -0.116 1.00 0.00 C ATOM 1561 C LEU A 108 92.614 -4.247 -1.066 1.00 0.00 C ATOM 1562 O LEU A 108 92.556 -4.054 -2.280 1.00 0.00 O ATOM 1563 CB LEU A 108 90.262 -3.866 -0.323 1.00 0.00 C ATOM 1564 CG LEU A 108 90.039 -5.317 0.118 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.266 -5.466 1.625 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.604 -5.725 -0.225 1.00 0.00 C ATOM 0 H LEU A 108 91.392 -1.697 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 108 92.021 -3.664 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.608 -3.204 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.993 -3.755 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 108 90.749 -5.960 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.103 -6.503 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.288 -5.177 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.569 -4.824 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.435 -6.756 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.905 -5.070 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.449 -5.639 -1.300 1.00 0.00 H new ATOM 1578 N THR A 109 93.478 -5.093 -0.509 1.00 0.00 N ATOM 1579 CA THR A 109 94.391 -5.900 -1.312 1.00 0.00 C ATOM 1580 C THR A 109 94.086 -7.382 -1.119 1.00 0.00 C ATOM 1581 O THR A 109 94.169 -7.903 -0.009 1.00 0.00 O ATOM 1582 CB THR A 109 95.837 -5.628 -0.896 1.00 0.00 C ATOM 1583 OG1 THR A 109 96.067 -4.228 -0.882 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.793 -6.294 -1.889 1.00 0.00 C ATOM 0 H THR A 109 93.564 -5.237 0.497 1.00 0.00 H new ATOM 0 HA THR A 109 94.258 -5.634 -2.361 1.00 0.00 H new ATOM 0 HB THR A 109 96.011 -6.037 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.993 -4.051 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.823 -6.098 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.616 -7.370 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.622 -5.889 -2.886 1.00 0.00 H new ATOM 1592 N VAL A 110 93.814 -8.086 -2.213 1.00 0.00 N ATOM 1593 CA VAL A 110 93.566 -9.521 -2.136 1.00 0.00 C ATOM 1594 C VAL A 110 94.869 -10.291 -2.311 1.00 0.00 C ATOM 1595 O VAL A 110 95.306 -10.543 -3.434 1.00 0.00 O ATOM 1596 CB VAL A 110 92.573 -9.937 -3.222 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.393 -11.456 -3.193 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.230 -9.252 -2.964 1.00 0.00 C ATOM 0 H VAL A 110 93.760 -7.692 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 110 93.147 -9.751 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 110 92.950 -9.640 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.685 -11.753 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.353 -11.940 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 110 92.012 -11.759 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.518 -9.545 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.850 -9.552 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.363 -8.170 -2.985 1.00 0.00 H new ATOM 1608 N LEU A 111 95.436 -10.730 -1.192 1.00 0.00 N ATOM 1609 CA LEU A 111 96.675 -11.500 -1.214 1.00 0.00 C ATOM 1610 C LEU A 111 96.681 -12.499 -2.367 1.00 0.00 C ATOM 1611 O LEU A 111 96.199 -13.603 -2.173 1.00 0.00 O ATOM 1612 CB LEU A 111 96.827 -12.257 0.109 1.00 0.00 C ATOM 1613 CG LEU A 111 96.862 -11.285 1.297 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.360 -11.983 2.566 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.287 -10.776 1.526 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.126 -12.127 -3.441 1.00 0.00 O ATOM 0 H LEU A 111 95.058 -10.566 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 111 97.506 -10.808 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.999 -12.955 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.743 -12.848 0.091 1.00 0.00 H new ATOM 0 HG LEU A 111 96.213 -10.440 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.389 -11.284 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.336 -12.323 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.997 -12.839 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.296 -10.088 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.945 -11.619 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.636 -10.258 0.633 1.00 0.00 H new TER 1628 LEU A 111