USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=41 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 97 SER OG : rot 180:sc= -0.139 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -2.88! C(o=-3!,f=-3.9!) USER MOD Set 2.1: A 35 GLN : amide:sc= -1.25 K(o=-3.8,f=-7.5!) USER MOD Set 2.2: A 94 TYR OH : rot 100:sc= -2.52 USER MOD Set 3.1: A 19 THR OG1 : rot 171:sc= 0.375 USER MOD Set 3.2: A 77 THR OG1 : rot -38:sc= 0.966 USER MOD Set 4.1: A 39 GLN : amide:sc= -16.9! C(o=-23!,f=-10!) USER MOD Set 4.2: A 44 SER OG : rot -100:sc= -5.64! USER MOD Set 5.1: A 37 TYR OH : rot 95:sc= 0.997 USER MOD Set 5.2: A 47 THR OG1 : rot -62:sc= 1.58 USER MOD Set 6.1: A 31 SER OG : rot 150:sc= -0.664 USER MOD Set 6.2: A 32 ASN : amide:sc= -3.6! C(o=-4.3!,f=-7.1!) USER MOD Set 7.1: A 3 MET CE :methyl -168:sc= -0.0518 (180deg=-0.442) USER MOD Set 7.2: A 25 SER OG : rot -116:sc= -0.169 USER MOD Set 8.1: A 6 GLN : amide:sc= -9.78! C(o=-14!,f=-16!) USER MOD Set 8.2: A 106 THR OG1 : rot 56:sc= -3.94! USER MOD Single : A 1 ASN : amide:sc= -8.82! C(o=-8.8!,f=-2.6!) USER MOD Single : A 1 ASN N :NH3+ 148:sc= -0.0584 (180deg=-0.982) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0.151! C(o=0.15!,f=-10!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -140:sc= -0.482 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.51! C(o=-3.5!,f=-6.9!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.246 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.84! C(o=-3.8!,f=-2.2!) USER MOD Single : A 54 GLN : amide:sc= -6.65! C(o=-6.7!,f=-4.3!) 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 -62:sc= 0.987 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.395 USER MOD Single : A 72 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.2) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -179:sc= 0.525 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 150:sc= 0 USER MOD Single : A 90 TYR OH : rot -110:sc= -0.266 USER MOD Single : A 92 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.6!) USER MOD Single : A 93 SER OG : rot 100:sc= -2.85! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= -0.215 (180deg=-0.924) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 81.534 19.882 9.325 1.00 0.00 N ATOM 2 CA ASN A 1 81.024 19.505 7.976 1.00 0.00 C ATOM 3 C ASN A 1 80.578 18.046 7.990 1.00 0.00 C ATOM 4 O ASN A 1 79.804 17.639 8.856 1.00 0.00 O ATOM 5 CB ASN A 1 82.122 19.732 6.934 1.00 0.00 C ATOM 6 CG ASN A 1 83.431 19.093 7.386 1.00 0.00 C ATOM 7 OD1 ASN A 1 84.506 19.640 7.136 1.00 0.00 O ATOM 8 ND2 ASN A 1 83.409 17.988 8.081 1.00 0.00 N ATOM 0 H1 ASN A 1 82.288 20.591 9.225 1.00 0.00 H new ATOM 0 H2 ASN A 1 80.757 20.280 9.891 1.00 0.00 H new ATOM 0 H3 ASN A 1 81.913 19.039 9.801 1.00 0.00 H new ATOM 0 HA ASN A 1 80.167 20.125 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 1 81.816 19.309 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 1 82.268 20.801 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 1 84.281 17.579 8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 1 82.520 17.534 8.289 1.00 0.00 H new ATOM 17 N PHE A 2 81.188 17.229 7.136 1.00 0.00 N ATOM 18 CA PHE A 2 80.829 15.819 7.041 1.00 0.00 C ATOM 19 C PHE A 2 82.042 15.004 6.606 1.00 0.00 C ATOM 20 O PHE A 2 82.672 15.308 5.593 1.00 0.00 O ATOM 21 CB PHE A 2 79.706 15.634 6.017 1.00 0.00 C ATOM 22 CG PHE A 2 78.655 16.702 6.208 1.00 0.00 C ATOM 23 CD1 PHE A 2 77.707 16.573 7.230 1.00 0.00 C ATOM 24 CD2 PHE A 2 78.618 17.817 5.362 1.00 0.00 C ATOM 25 CE1 PHE A 2 76.739 17.565 7.423 1.00 0.00 C ATOM 26 CE2 PHE A 2 77.606 18.774 5.507 1.00 0.00 C ATOM 27 CZ PHE A 2 76.676 18.656 6.548 1.00 0.00 C ATOM 0 H PHE A 2 81.932 17.519 6.501 1.00 0.00 H new ATOM 0 HA PHE A 2 80.490 15.476 8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 2 80.111 15.687 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 2 79.258 14.647 6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 2 77.723 15.705 7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 2 79.371 17.939 4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 2 76.042 17.489 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 2 77.543 19.602 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 2 75.910 19.407 6.676 1.00 0.00 H new ATOM 37 N MET A 3 82.393 13.991 7.394 1.00 0.00 N ATOM 38 CA MET A 3 83.528 13.130 7.074 1.00 0.00 C ATOM 39 C MET A 3 83.095 11.669 7.134 1.00 0.00 C ATOM 40 O MET A 3 81.976 11.362 7.544 1.00 0.00 O ATOM 41 CB MET A 3 84.675 13.384 8.057 1.00 0.00 C ATOM 42 CG MET A 3 84.724 14.866 8.439 1.00 0.00 C ATOM 43 SD MET A 3 86.408 15.308 8.935 1.00 0.00 S ATOM 44 CE MET A 3 86.578 14.155 10.319 1.00 0.00 C ATOM 0 H MET A 3 81.908 13.746 8.258 1.00 0.00 H new ATOM 0 HA MET A 3 83.878 13.357 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.540 12.775 8.951 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.622 13.085 7.608 1.00 0.00 H new ATOM 0 HG2 MET A 3 84.409 15.480 7.595 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.029 15.065 9.255 1.00 0.00 H new ATOM 0 HE1 MET A 3 87.465 14.411 10.899 1.00 0.00 H new ATOM 0 HE2 MET A 3 85.697 14.220 10.957 1.00 0.00 H new ATOM 0 HE3 MET A 3 86.675 13.139 9.936 1.00 0.00 H new ATOM 54 N LEU A 4 83.964 10.777 6.667 1.00 0.00 N ATOM 55 CA LEU A 4 83.660 9.352 6.662 1.00 0.00 C ATOM 56 C LEU A 4 84.844 8.578 7.227 1.00 0.00 C ATOM 57 O LEU A 4 85.865 8.409 6.559 1.00 0.00 O ATOM 58 CB LEU A 4 83.362 8.871 5.240 1.00 0.00 C ATOM 59 CG LEU A 4 81.951 9.303 4.820 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.873 10.806 4.517 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.520 8.469 3.609 1.00 0.00 C ATOM 0 H LEU A 4 84.881 11.016 6.289 1.00 0.00 H new ATOM 0 HA LEU A 4 82.779 9.179 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 4 84.097 9.281 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.448 7.786 5.190 1.00 0.00 H new ATOM 0 HG LEU A 4 81.268 9.125 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.856 11.066 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.150 11.371 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.558 11.049 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.518 8.767 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.217 8.634 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.518 7.412 3.877 1.00 0.00 H new ATOM 73 N THR A 5 84.676 8.038 8.429 1.00 0.00 N ATOM 74 CA THR A 5 85.743 7.279 9.066 1.00 0.00 C ATOM 75 C THR A 5 85.592 5.801 8.721 1.00 0.00 C ATOM 76 O THR A 5 84.627 5.157 9.133 1.00 0.00 O ATOM 77 CB THR A 5 85.665 7.464 10.585 1.00 0.00 C ATOM 78 OG1 THR A 5 85.307 8.808 10.869 1.00 0.00 O ATOM 79 CG2 THR A 5 87.022 7.161 11.227 1.00 0.00 C ATOM 0 H THR A 5 83.819 8.111 8.977 1.00 0.00 H new ATOM 0 HA THR A 5 86.708 7.637 8.708 1.00 0.00 H new ATOM 0 HB THR A 5 84.919 6.780 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.253 8.934 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.952 7.296 12.306 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.306 6.132 11.008 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.775 7.839 10.824 1.00 0.00 H new ATOM 87 N GLN A 6 86.585 5.243 8.033 1.00 0.00 N ATOM 88 CA GLN A 6 86.561 3.825 7.685 1.00 0.00 C ATOM 89 C GLN A 6 87.986 3.274 7.709 1.00 0.00 C ATOM 90 O GLN A 6 88.942 4.030 7.542 1.00 0.00 O ATOM 91 CB GLN A 6 85.883 3.655 6.315 1.00 0.00 C ATOM 92 CG GLN A 6 86.837 3.129 5.237 1.00 0.00 C ATOM 93 CD GLN A 6 86.118 3.027 3.897 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.751 2.786 2.869 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.814 3.017 3.875 1.00 0.00 N ATOM 0 H GLN A 6 87.410 5.746 7.708 1.00 0.00 H new ATOM 0 HA GLN A 6 85.981 3.255 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 6 85.042 2.969 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 6 85.476 4.614 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.696 3.794 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 6 87.220 2.151 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.288 3.216 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.320 2.810 3.007 1.00 0.00 H new ATOM 104 N PRO A 7 88.134 1.976 7.706 1.00 0.00 N ATOM 105 CA PRO A 7 89.472 1.322 7.730 1.00 0.00 C ATOM 106 C PRO A 7 90.384 1.885 6.644 1.00 0.00 C ATOM 107 O PRO A 7 89.908 2.441 5.655 1.00 0.00 O ATOM 108 CB PRO A 7 89.173 -0.167 7.507 1.00 0.00 C ATOM 109 CG PRO A 7 87.685 -0.307 7.416 1.00 0.00 C ATOM 110 CD PRO A 7 87.075 0.987 7.959 1.00 0.00 C ATOM 0 HA PRO A 7 90.003 1.496 8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.650 -0.523 6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.567 -0.766 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.377 -0.474 6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.343 -1.166 7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.149 1.245 7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.839 0.909 9.020 1.00 0.00 H new ATOM 118 N HIS A 8 91.689 1.857 6.902 1.00 0.00 N ATOM 119 CA HIS A 8 92.667 2.384 5.956 1.00 0.00 C ATOM 120 C HIS A 8 92.868 1.425 4.784 1.00 0.00 C ATOM 121 O HIS A 8 92.445 1.709 3.663 1.00 0.00 O ATOM 122 CB HIS A 8 93.997 2.647 6.675 1.00 0.00 C ATOM 123 CG HIS A 8 94.184 1.655 7.792 1.00 0.00 C ATOM 124 ND1 HIS A 8 93.558 0.420 7.794 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.883 1.720 8.975 1.00 0.00 C ATOM 126 CE1 HIS A 8 93.888 -0.205 8.937 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.701 0.539 9.692 1.00 0.00 N ATOM 0 H HIS A 8 92.093 1.475 7.757 1.00 0.00 H new ATOM 0 HA HIS A 8 92.290 3.324 5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.823 2.571 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.010 3.662 7.073 1.00 0.00 H new ATOM 0 HD2 HIS A 8 95.482 2.559 9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.538 -1.189 9.212 1.00 0.00 H new ATOM 0 HE2 HIS A 8 95.102 0.295 10.598 1.00 0.00 H new ATOM 135 N SER A 9 93.401 0.241 5.069 1.00 0.00 N ATOM 136 CA SER A 9 93.675 -0.740 4.026 1.00 0.00 C ATOM 137 C SER A 9 93.775 -2.137 4.625 1.00 0.00 C ATOM 138 O SER A 9 94.240 -2.317 5.750 1.00 0.00 O ATOM 139 CB SER A 9 94.976 -0.404 3.297 1.00 0.00 C ATOM 140 OG SER A 9 96.080 -0.631 4.161 1.00 0.00 O ATOM 0 H SER A 9 93.651 -0.061 6.011 1.00 0.00 H new ATOM 0 HA SER A 9 92.852 -0.712 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.071 -1.017 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 94.964 0.636 2.972 1.00 0.00 H new ATOM 0 HG SER A 9 96.913 -0.417 3.691 1.00 0.00 H new ATOM 146 N VAL A 10 93.332 -3.129 3.861 1.00 0.00 N ATOM 147 CA VAL A 10 93.355 -4.507 4.333 1.00 0.00 C ATOM 148 C VAL A 10 93.369 -5.466 3.147 1.00 0.00 C ATOM 149 O VAL A 10 92.734 -5.207 2.124 1.00 0.00 O ATOM 150 CB VAL A 10 92.135 -4.765 5.220 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.844 -4.541 4.429 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.174 -6.200 5.750 1.00 0.00 C ATOM 0 H VAL A 10 92.956 -3.006 2.921 1.00 0.00 H new ATOM 0 HA VAL A 10 94.258 -4.674 4.920 1.00 0.00 H new ATOM 0 HB VAL A 10 92.158 -4.069 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.985 -4.728 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.811 -3.512 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.815 -5.223 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.303 -6.379 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.165 -6.898 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.082 -6.347 6.335 1.00 0.00 H new ATOM 162 N SER A 11 94.050 -6.597 3.308 1.00 0.00 N ATOM 163 CA SER A 11 94.126 -7.609 2.261 1.00 0.00 C ATOM 164 C SER A 11 93.483 -8.911 2.729 1.00 0.00 C ATOM 165 O SER A 11 93.615 -9.298 3.890 1.00 0.00 O ATOM 166 CB SER A 11 95.591 -7.866 1.900 1.00 0.00 C ATOM 167 OG SER A 11 96.135 -8.815 2.806 1.00 0.00 O ATOM 0 H SER A 11 94.559 -6.836 4.159 1.00 0.00 H new ATOM 0 HA SER A 11 93.589 -7.246 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.667 -8.236 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.158 -6.936 1.945 1.00 0.00 H new ATOM 0 HG SER A 11 97.050 -8.555 3.041 1.00 0.00 H new ATOM 173 N GLU A 12 92.816 -9.603 1.809 1.00 0.00 N ATOM 174 CA GLU A 12 92.149 -10.864 2.120 1.00 0.00 C ATOM 175 C GLU A 12 92.552 -11.941 1.120 1.00 0.00 C ATOM 176 O GLU A 12 93.150 -11.659 0.082 1.00 0.00 O ATOM 177 CB GLU A 12 90.629 -10.670 2.076 1.00 0.00 C ATOM 178 CG GLU A 12 90.127 -10.111 3.410 1.00 0.00 C ATOM 179 CD GLU A 12 89.876 -11.231 4.416 1.00 0.00 C ATOM 180 OE1 GLU A 12 89.507 -12.316 3.997 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.000 -10.963 5.601 1.00 0.00 O ATOM 0 H GLU A 12 92.723 -9.309 0.837 1.00 0.00 H new ATOM 0 HA GLU A 12 92.450 -11.179 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.365 -9.990 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.140 -11.621 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 12 90.860 -9.413 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 12 89.207 -9.549 3.249 1.00 0.00 H new ATOM 188 N SER A 13 92.296 -13.190 1.496 1.00 0.00 N ATOM 189 CA SER A 13 92.666 -14.323 0.655 1.00 0.00 C ATOM 190 C SER A 13 91.486 -14.744 -0.220 1.00 0.00 C ATOM 191 O SER A 13 90.357 -14.808 0.266 1.00 0.00 O ATOM 192 CB SER A 13 93.110 -15.498 1.528 1.00 0.00 C ATOM 193 OG SER A 13 93.906 -15.009 2.598 1.00 0.00 O ATOM 0 H SER A 13 91.837 -13.442 2.371 1.00 0.00 H new ATOM 0 HA SER A 13 93.492 -14.023 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.240 -16.026 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.678 -16.214 0.934 1.00 0.00 H new ATOM 0 HG SER A 13 94.192 -15.758 3.162 1.00 0.00 H new ATOM 199 N PRO A 14 91.713 -15.141 -1.446 1.00 0.00 N ATOM 200 CA PRO A 14 90.600 -15.549 -2.349 1.00 0.00 C ATOM 201 C PRO A 14 89.798 -16.701 -1.749 1.00 0.00 C ATOM 202 O PRO A 14 90.301 -17.820 -1.657 1.00 0.00 O ATOM 203 CB PRO A 14 91.273 -15.955 -3.668 1.00 0.00 C ATOM 204 CG PRO A 14 92.747 -15.743 -3.509 1.00 0.00 C ATOM 205 CD PRO A 14 92.993 -15.045 -2.169 1.00 0.00 C ATOM 0 HA PRO A 14 89.884 -14.741 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.059 -16.998 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 14 90.887 -15.358 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.273 -16.697 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.134 -15.137 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.797 -15.529 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.287 -14.005 -2.314 1.00 0.00 H new ATOM 213 N GLY A 15 88.536 -16.445 -1.411 1.00 0.00 N ATOM 214 CA GLY A 15 87.654 -17.482 -0.881 1.00 0.00 C ATOM 215 C GLY A 15 87.198 -17.137 0.534 1.00 0.00 C ATOM 216 O GLY A 15 86.476 -17.909 1.164 1.00 0.00 O ATOM 0 H GLY A 15 88.101 -15.526 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.786 -17.593 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.174 -18.440 -0.877 1.00 0.00 H new ATOM 220 N LYS A 16 87.737 -16.049 1.078 1.00 0.00 N ATOM 221 CA LYS A 16 87.376 -15.595 2.419 1.00 0.00 C ATOM 222 C LYS A 16 86.263 -14.551 2.369 1.00 0.00 C ATOM 223 O LYS A 16 85.747 -14.224 1.300 1.00 0.00 O ATOM 224 CB LYS A 16 88.604 -15.000 3.115 1.00 0.00 C ATOM 225 CG LYS A 16 89.462 -16.120 3.705 1.00 0.00 C ATOM 226 CD LYS A 16 90.606 -15.501 4.509 1.00 0.00 C ATOM 227 CE LYS A 16 91.347 -16.598 5.274 1.00 0.00 C ATOM 228 NZ LYS A 16 92.192 -15.976 6.331 1.00 0.00 N ATOM 0 H LYS A 16 88.428 -15.463 0.609 1.00 0.00 H new ATOM 0 HA LYS A 16 87.014 -16.456 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.190 -14.418 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.290 -14.317 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.856 -16.761 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.859 -16.749 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.293 -14.981 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.215 -14.759 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.634 -17.290 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.967 -17.178 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 92.698 -16.720 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 92.881 -15.333 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 91.589 -15.441 6.988 1.00 0.00 H new ATOM 242 N THR A 17 85.833 -14.109 3.549 1.00 0.00 N ATOM 243 CA THR A 17 84.772 -13.114 3.663 1.00 0.00 C ATOM 244 C THR A 17 85.202 -11.967 4.571 1.00 0.00 C ATOM 245 O THR A 17 85.940 -12.166 5.535 1.00 0.00 O ATOM 246 CB THR A 17 83.519 -13.780 4.235 1.00 0.00 C ATOM 247 OG1 THR A 17 83.817 -14.330 5.511 1.00 0.00 O ATOM 248 CG2 THR A 17 83.069 -14.905 3.302 1.00 0.00 C ATOM 0 H THR A 17 86.206 -14.427 4.443 1.00 0.00 H new ATOM 0 HA THR A 17 84.561 -12.709 2.673 1.00 0.00 H new ATOM 0 HB THR A 17 82.726 -13.038 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.015 -14.755 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.176 -15.380 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.845 -14.494 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.865 -15.644 3.213 1.00 0.00 H new ATOM 256 N VAL A 18 84.791 -10.757 4.208 1.00 0.00 N ATOM 257 CA VAL A 18 85.131 -9.568 4.983 1.00 0.00 C ATOM 258 C VAL A 18 83.922 -8.647 5.117 1.00 0.00 C ATOM 259 O VAL A 18 83.042 -8.624 4.255 1.00 0.00 O ATOM 260 CB VAL A 18 86.287 -8.820 4.315 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.955 -8.572 2.841 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.524 -7.485 5.027 1.00 0.00 C ATOM 0 H VAL A 18 84.222 -10.573 3.382 1.00 0.00 H new ATOM 0 HA VAL A 18 85.437 -9.883 5.981 1.00 0.00 H new ATOM 0 HB VAL A 18 87.192 -9.423 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.779 -8.039 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.802 -9.526 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.047 -7.974 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.348 -6.958 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.621 -6.877 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.771 -7.669 6.072 1.00 0.00 H new ATOM 272 N THR A 19 83.933 -7.839 6.173 1.00 0.00 N ATOM 273 CA THR A 19 82.897 -6.842 6.420 1.00 0.00 C ATOM 274 C THR A 19 83.558 -5.477 6.596 1.00 0.00 C ATOM 275 O THR A 19 84.351 -5.285 7.518 1.00 0.00 O ATOM 276 CB THR A 19 82.136 -7.260 7.686 1.00 0.00 C ATOM 277 OG1 THR A 19 81.036 -8.090 7.339 1.00 0.00 O ATOM 278 CG2 THR A 19 81.625 -6.063 8.496 1.00 0.00 C ATOM 0 H THR A 19 84.664 -7.858 6.884 1.00 0.00 H new ATOM 0 HA THR A 19 82.197 -6.775 5.587 1.00 0.00 H new ATOM 0 HB THR A 19 82.844 -7.803 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.643 -8.470 8.153 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.095 -6.421 9.379 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.469 -5.445 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.947 -5.471 7.881 1.00 0.00 H new ATOM 286 N ILE A 20 83.120 -4.503 5.805 1.00 0.00 N ATOM 287 CA ILE A 20 83.603 -3.133 5.927 1.00 0.00 C ATOM 288 C ILE A 20 82.559 -2.249 6.602 1.00 0.00 C ATOM 289 O ILE A 20 81.359 -2.513 6.539 1.00 0.00 O ATOM 290 CB ILE A 20 83.927 -2.567 4.541 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.099 -3.328 3.903 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.292 -1.086 4.675 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.596 -4.498 3.051 1.00 0.00 C ATOM 0 H ILE A 20 82.427 -4.639 5.069 1.00 0.00 H new ATOM 0 HA ILE A 20 84.505 -3.143 6.539 1.00 0.00 H new ATOM 0 HB ILE A 20 83.052 -2.680 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.685 -2.648 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.763 -3.701 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.524 -0.678 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.451 -0.542 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.161 -0.983 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.446 -5.020 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.032 -5.188 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 20 83.952 -4.120 2.257 1.00 0.00 H new ATOM 305 N SER A 21 83.050 -1.279 7.366 1.00 0.00 N ATOM 306 CA SER A 21 82.201 -0.320 8.063 1.00 0.00 C ATOM 307 C SER A 21 82.462 1.100 7.563 1.00 0.00 C ATOM 308 O SER A 21 83.601 1.567 7.598 1.00 0.00 O ATOM 309 CB SER A 21 82.492 -0.415 9.563 1.00 0.00 C ATOM 310 OG SER A 21 82.523 -1.785 9.940 1.00 0.00 O ATOM 0 H SER A 21 84.048 -1.136 7.519 1.00 0.00 H new ATOM 0 HA SER A 21 81.154 -0.553 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.445 0.061 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.726 0.115 10.130 1.00 0.00 H new ATOM 0 HG SER A 21 82.711 -1.856 10.899 1.00 0.00 H new ATOM 316 N CYS A 22 81.394 1.841 7.267 1.00 0.00 N ATOM 317 CA CYS A 22 81.496 3.244 6.860 1.00 0.00 C ATOM 318 C CYS A 22 80.742 4.091 7.889 1.00 0.00 C ATOM 319 O CYS A 22 79.595 3.797 8.227 1.00 0.00 O ATOM 320 CB CYS A 22 80.947 3.436 5.430 1.00 0.00 C ATOM 321 SG CYS A 22 82.269 3.895 4.267 1.00 0.00 S ATOM 0 H CYS A 22 80.438 1.488 7.302 1.00 0.00 H new ATOM 0 HA CYS A 22 82.538 3.563 6.833 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.470 2.515 5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.179 4.210 5.434 1.00 0.00 H new ATOM 326 N THR A 23 81.476 4.958 8.585 1.00 0.00 N ATOM 327 CA THR A 23 80.881 5.835 9.588 1.00 0.00 C ATOM 328 C THR A 23 80.958 7.256 9.053 1.00 0.00 C ATOM 329 O THR A 23 82.059 7.791 8.920 1.00 0.00 O ATOM 330 CB THR A 23 81.639 5.764 10.916 1.00 0.00 C ATOM 331 OG1 THR A 23 81.491 4.457 11.454 1.00 0.00 O ATOM 332 CG2 THR A 23 81.097 6.780 11.928 1.00 0.00 C ATOM 0 H THR A 23 82.483 5.071 8.472 1.00 0.00 H new ATOM 0 HA THR A 23 79.853 5.525 9.773 1.00 0.00 H new ATOM 0 HB THR A 23 82.687 5.996 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.974 4.397 12.305 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.659 6.701 12.859 1.00 0.00 H new ATOM 0 HG22 THR A 23 81.202 7.787 11.525 1.00 0.00 H new ATOM 0 HG23 THR A 23 80.044 6.575 12.121 1.00 0.00 H new ATOM 340 N ARG A 24 79.841 7.960 9.183 1.00 0.00 N ATOM 341 CA ARG A 24 79.825 9.387 8.894 1.00 0.00 C ATOM 342 C ARG A 24 80.123 10.171 10.169 1.00 0.00 C ATOM 343 O ARG A 24 79.499 9.950 11.207 1.00 0.00 O ATOM 344 CB ARG A 24 78.461 9.767 8.313 1.00 0.00 C ATOM 345 CG ARG A 24 78.247 8.988 7.012 1.00 0.00 C ATOM 346 CD ARG A 24 76.905 9.373 6.386 1.00 0.00 C ATOM 347 NE ARG A 24 76.957 10.751 5.911 1.00 0.00 N ATOM 348 CZ ARG A 24 75.918 11.571 6.041 1.00 0.00 C ATOM 349 NH1 ARG A 24 75.192 11.535 7.126 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.660 12.446 5.108 1.00 0.00 N ATOM 0 H ARG A 24 78.946 7.573 9.482 1.00 0.00 H new ATOM 0 HA ARG A 24 80.593 9.632 8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.669 9.537 9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.417 10.839 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.057 9.200 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.270 7.917 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.674 8.702 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.106 9.262 7.119 1.00 0.00 H new ATOM 0 HE ARG A 24 77.810 11.094 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.422 10.879 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 24 74.395 12.163 7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.255 12.500 4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.864 13.076 5.206 1.00 0.00 H new ATOM 364 N SER A 25 80.943 11.208 10.037 1.00 0.00 N ATOM 365 CA SER A 25 81.249 12.093 11.156 1.00 0.00 C ATOM 366 C SER A 25 79.971 12.708 11.718 1.00 0.00 C ATOM 367 O SER A 25 80.024 13.716 12.424 1.00 0.00 O ATOM 368 CB SER A 25 82.262 13.166 10.750 1.00 0.00 C ATOM 369 OG SER A 25 83.552 12.755 11.176 1.00 0.00 O ATOM 0 H SER A 25 81.409 11.457 9.164 1.00 0.00 H new ATOM 0 HA SER A 25 81.708 11.500 11.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.248 13.310 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.001 14.123 11.202 1.00 0.00 H new ATOM 0 HG SER A 25 83.892 13.386 11.845 1.00 0.00 H new ATOM 375 N SER A 26 78.846 12.287 11.147 1.00 0.00 N ATOM 376 CA SER A 26 77.547 12.863 11.471 1.00 0.00 C ATOM 377 C SER A 26 76.857 11.990 12.518 1.00 0.00 C ATOM 378 O SER A 26 75.954 12.441 13.223 1.00 0.00 O ATOM 379 CB SER A 26 76.726 12.934 10.179 1.00 0.00 C ATOM 380 OG SER A 26 76.054 14.184 10.119 1.00 0.00 O ATOM 0 H SER A 26 78.810 11.542 10.451 1.00 0.00 H new ATOM 0 HA SER A 26 77.652 13.866 11.885 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.378 12.816 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.004 12.118 10.148 1.00 0.00 H new ATOM 0 HG SER A 26 75.529 14.234 9.293 1.00 0.00 H new ATOM 386 N GLY A 27 77.406 10.795 12.720 1.00 0.00 N ATOM 387 CA GLY A 27 76.885 9.869 13.720 1.00 0.00 C ATOM 388 C GLY A 27 75.565 9.250 13.267 1.00 0.00 C ATOM 389 O GLY A 27 74.953 8.473 14.001 1.00 0.00 O ATOM 0 H GLY A 27 78.213 10.445 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.615 9.081 13.904 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.738 10.394 14.664 1.00 0.00 H new ATOM 393 N SER A 28 75.091 9.664 12.094 1.00 0.00 N ATOM 394 CA SER A 28 73.840 9.154 11.535 1.00 0.00 C ATOM 395 C SER A 28 74.065 8.575 10.141 1.00 0.00 C ATOM 396 O SER A 28 74.603 9.254 9.266 1.00 0.00 O ATOM 397 CB SER A 28 72.816 10.289 11.457 1.00 0.00 C ATOM 398 OG SER A 28 72.864 11.043 12.660 1.00 0.00 O ATOM 0 H SER A 28 75.558 10.356 11.508 1.00 0.00 H new ATOM 0 HA SER A 28 73.468 8.361 12.184 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.031 10.931 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.816 9.883 11.308 1.00 0.00 H new ATOM 0 HG SER A 28 72.211 11.773 12.615 1.00 0.00 H new ATOM 404 N ILE A 29 73.678 7.316 9.940 1.00 0.00 N ATOM 405 CA ILE A 29 73.853 6.663 8.644 1.00 0.00 C ATOM 406 C ILE A 29 72.568 6.019 8.136 1.00 0.00 C ATOM 407 O ILE A 29 72.048 6.420 7.094 1.00 0.00 O ATOM 408 CB ILE A 29 74.894 5.547 8.741 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.465 4.513 9.792 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.281 6.132 9.043 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.923 3.247 9.121 1.00 0.00 C ATOM 0 H ILE A 29 73.244 6.731 10.654 1.00 0.00 H new ATOM 0 HA ILE A 29 74.167 7.449 7.957 1.00 0.00 H new ATOM 0 HB ILE A 29 74.961 5.034 7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.314 4.259 10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.701 4.942 10.440 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.010 5.324 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.569 6.817 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.250 6.671 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.625 2.529 9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.059 3.502 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.698 2.808 8.493 1.00 0.00 H new ATOM 423 N ALA A 30 71.967 5.139 8.934 1.00 0.00 N ATOM 424 CA ALA A 30 70.775 4.437 8.476 1.00 0.00 C ATOM 425 C ALA A 30 69.699 5.501 8.307 1.00 0.00 C ATOM 426 O ALA A 30 68.648 5.283 7.704 1.00 0.00 O ATOM 427 CB ALA A 30 70.340 3.393 9.512 1.00 0.00 C ATOM 0 H ALA A 30 72.277 4.901 9.876 1.00 0.00 H new ATOM 0 HA ALA A 30 70.958 3.906 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.448 2.877 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.143 2.671 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.119 3.889 10.457 1.00 0.00 H new ATOM 433 N SER A 31 70.144 6.706 8.640 1.00 0.00 N ATOM 434 CA SER A 31 69.312 7.900 8.539 1.00 0.00 C ATOM 435 C SER A 31 69.386 8.503 7.141 1.00 0.00 C ATOM 436 O SER A 31 68.366 8.898 6.579 1.00 0.00 O ATOM 437 CB SER A 31 69.766 8.950 9.556 1.00 0.00 C ATOM 438 OG SER A 31 70.863 9.675 9.020 1.00 0.00 O ATOM 0 H SER A 31 71.087 6.884 8.986 1.00 0.00 H new ATOM 0 HA SER A 31 68.283 7.604 8.745 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.945 9.628 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.055 8.468 10.490 1.00 0.00 H new ATOM 0 HG SER A 31 70.858 10.587 9.378 1.00 0.00 H new ATOM 444 N ASN A 32 70.543 8.364 6.500 1.00 0.00 N ATOM 445 CA ASN A 32 70.748 8.888 5.152 1.00 0.00 C ATOM 446 C ASN A 32 71.157 7.747 4.229 1.00 0.00 C ATOM 447 O ASN A 32 71.545 6.674 4.691 1.00 0.00 O ATOM 448 CB ASN A 32 71.851 9.952 5.141 1.00 0.00 C ATOM 449 CG ASN A 32 71.719 10.877 6.346 1.00 0.00 C ATOM 450 OD1 ASN A 32 72.714 11.441 6.801 1.00 0.00 O ATOM 451 ND2 ASN A 32 70.532 11.191 6.790 1.00 0.00 N ATOM 0 H ASN A 32 71.356 7.891 6.894 1.00 0.00 H new ATOM 0 HA ASN A 32 69.817 9.342 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.828 9.470 5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 32 71.793 10.534 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 32 70.430 11.903 7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 32 69.707 10.724 6.414 1.00 0.00 H new ATOM 458 N TYR A 33 70.968 7.952 2.931 1.00 0.00 N ATOM 459 CA TYR A 33 71.253 6.899 1.967 1.00 0.00 C ATOM 460 C TYR A 33 72.758 6.776 1.760 1.00 0.00 C ATOM 461 O TYR A 33 73.422 7.751 1.407 1.00 0.00 O ATOM 462 CB TYR A 33 70.578 7.209 0.630 1.00 0.00 C ATOM 463 CG TYR A 33 69.143 7.619 0.867 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.263 6.733 1.503 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.692 8.879 0.454 1.00 0.00 C ATOM 466 CE1 TYR A 33 66.945 7.128 1.764 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.352 9.240 0.646 1.00 0.00 C ATOM 468 CZ TYR A 33 66.475 8.358 1.288 1.00 0.00 C ATOM 469 OH TYR A 33 65.147 8.699 1.445 1.00 0.00 O ATOM 0 H TYR A 33 70.624 8.823 2.527 1.00 0.00 H new ATOM 0 HA TYR A 33 70.863 5.958 2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.114 8.007 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.614 6.333 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.600 5.748 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.377 9.572 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.291 6.484 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.996 10.199 0.299 1.00 0.00 H new ATOM 0 HH TYR A 33 64.989 9.586 1.059 1.00 0.00 H new ATOM 479 N VAL A 34 73.292 5.579 1.989 1.00 0.00 N ATOM 480 CA VAL A 34 74.725 5.336 1.854 1.00 0.00 C ATOM 481 C VAL A 34 75.016 4.586 0.559 1.00 0.00 C ATOM 482 O VAL A 34 74.157 3.888 0.021 1.00 0.00 O ATOM 483 CB VAL A 34 75.228 4.512 3.043 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.710 4.182 2.837 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.018 5.286 4.350 1.00 0.00 C ATOM 0 H VAL A 34 72.752 4.760 2.270 1.00 0.00 H new ATOM 0 HA VAL A 34 75.239 6.297 1.832 1.00 0.00 H new ATOM 0 HB VAL A 34 74.664 3.582 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.073 3.595 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.831 3.609 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.282 5.107 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.379 4.690 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.569 6.226 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.956 5.493 4.484 1.00 0.00 H new ATOM 495 N GLN A 35 76.170 4.870 -0.036 1.00 0.00 N ATOM 496 CA GLN A 35 76.535 4.260 -1.311 1.00 0.00 C ATOM 497 C GLN A 35 77.971 3.754 -1.238 1.00 0.00 C ATOM 498 O GLN A 35 78.740 4.168 -0.371 1.00 0.00 O ATOM 499 CB GLN A 35 76.364 5.282 -2.438 1.00 0.00 C ATOM 500 CG GLN A 35 77.274 4.983 -3.634 1.00 0.00 C ATOM 501 CD GLN A 35 76.881 5.859 -4.819 1.00 0.00 C ATOM 502 OE1 GLN A 35 77.489 6.906 -5.043 1.00 0.00 O ATOM 503 NE2 GLN A 35 75.956 5.449 -5.644 1.00 0.00 N ATOM 0 H GLN A 35 76.865 5.514 0.341 1.00 0.00 H new ATOM 0 HA GLN A 35 75.882 3.412 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 35 75.325 5.287 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 35 76.583 6.280 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 35 78.314 5.166 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 35 77.196 3.931 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.454 4.581 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 35 75.736 5.996 -6.476 1.00 0.00 H new ATOM 512 N TRP A 36 78.292 2.815 -2.124 1.00 0.00 N ATOM 513 CA TRP A 36 79.636 2.257 -2.215 1.00 0.00 C ATOM 514 C TRP A 36 80.121 2.302 -3.661 1.00 0.00 C ATOM 515 O TRP A 36 79.482 1.755 -4.560 1.00 0.00 O ATOM 516 CB TRP A 36 79.650 0.809 -1.720 1.00 0.00 C ATOM 517 CG TRP A 36 79.022 0.729 -0.365 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.731 1.023 -0.083 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.634 0.328 0.897 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.519 0.857 1.272 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.645 0.379 1.912 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.941 -0.036 1.264 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.958 0.109 3.248 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.226 -0.418 2.581 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.245 -0.331 3.575 1.00 0.00 C ATOM 0 H TRP A 36 77.632 2.422 -2.795 1.00 0.00 H new ATOM 0 HA TRP A 36 80.300 2.853 -1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 36 79.109 0.171 -2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.675 0.440 -1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.987 1.336 -0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.638 1.063 1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.730 -0.021 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.214 0.239 4.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.211 -0.783 2.831 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.481 -0.603 4.593 1.00 0.00 H new ATOM 536 N TYR A 37 81.270 2.936 -3.878 1.00 0.00 N ATOM 537 CA TYR A 37 81.858 3.075 -5.207 1.00 0.00 C ATOM 538 C TYR A 37 83.124 2.227 -5.294 1.00 0.00 C ATOM 539 O TYR A 37 83.852 2.080 -4.312 1.00 0.00 O ATOM 540 CB TYR A 37 82.174 4.552 -5.479 1.00 0.00 C ATOM 541 CG TYR A 37 81.363 5.077 -6.641 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.748 4.771 -7.952 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.132 5.699 -6.403 1.00 0.00 C ATOM 544 CE1 TYR A 37 80.978 5.228 -9.029 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.350 6.137 -7.479 1.00 0.00 C ATOM 546 CZ TYR A 37 79.767 5.889 -8.792 1.00 0.00 C ATOM 547 OH TYR A 37 79.012 6.339 -9.855 1.00 0.00 O ATOM 0 H TYR A 37 81.820 3.369 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 37 81.152 2.727 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 37 81.962 5.142 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.237 4.666 -5.692 1.00 0.00 H new ATOM 0 HD1 TYR A 37 82.636 4.184 -8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.785 5.841 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 37 81.318 5.071 -10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.426 6.666 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 37 78.336 5.667 -10.084 1.00 0.00 H new ATOM 557 N GLN A 38 83.418 1.739 -6.494 1.00 0.00 N ATOM 558 CA GLN A 38 84.620 0.943 -6.719 1.00 0.00 C ATOM 559 C GLN A 38 85.489 1.639 -7.760 1.00 0.00 C ATOM 560 O GLN A 38 84.992 2.182 -8.747 1.00 0.00 O ATOM 561 CB GLN A 38 84.214 -0.453 -7.211 1.00 0.00 C ATOM 562 CG GLN A 38 84.918 -1.550 -6.410 1.00 0.00 C ATOM 563 CD GLN A 38 84.288 -1.666 -5.026 1.00 0.00 C ATOM 564 OE1 GLN A 38 84.272 -0.694 -4.271 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.765 -2.799 -4.644 1.00 0.00 N ATOM 0 H GLN A 38 82.843 1.880 -7.324 1.00 0.00 H new ATOM 0 HA GLN A 38 85.185 0.842 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 38 83.134 -0.572 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 38 84.462 -0.555 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 38 84.841 -2.502 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 38 85.980 -1.321 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.779 -3.604 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.342 -2.880 -3.719 1.00 0.00 H new ATOM 574 N GLN A 39 86.799 1.570 -7.543 1.00 0.00 N ATOM 575 CA GLN A 39 87.748 2.193 -8.460 1.00 0.00 C ATOM 576 C GLN A 39 88.975 1.306 -8.660 1.00 0.00 C ATOM 577 O GLN A 39 89.796 1.156 -7.756 1.00 0.00 O ATOM 578 CB GLN A 39 88.130 3.578 -7.921 1.00 0.00 C ATOM 579 CG GLN A 39 88.130 4.638 -9.028 1.00 0.00 C ATOM 580 CD GLN A 39 89.267 4.370 -10.009 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.232 5.132 -10.060 1.00 0.00 O ATOM 582 NE2 GLN A 39 89.260 3.279 -10.725 1.00 0.00 N ATOM 0 H GLN A 39 87.225 1.094 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 39 87.284 2.314 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.430 3.870 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.118 3.530 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.175 4.626 -9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.242 5.631 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.461 2.647 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.054 3.058 -11.326 1.00 0.00 H new ATOM 591 N ARG A 40 89.184 0.854 -9.894 1.00 0.00 N ATOM 592 CA ARG A 40 90.366 0.063 -10.230 1.00 0.00 C ATOM 593 C ARG A 40 91.533 0.999 -10.536 1.00 0.00 C ATOM 594 O ARG A 40 91.361 2.217 -10.572 1.00 0.00 O ATOM 595 CB ARG A 40 90.050 -0.836 -11.438 1.00 0.00 C ATOM 596 CG ARG A 40 89.961 -2.325 -11.073 1.00 0.00 C ATOM 597 CD ARG A 40 88.500 -2.704 -10.829 1.00 0.00 C ATOM 598 NE ARG A 40 88.427 -4.069 -10.328 1.00 0.00 N ATOM 599 CZ ARG A 40 87.275 -4.731 -10.303 1.00 0.00 C ATOM 600 NH1 ARG A 40 86.315 -4.329 -9.516 1.00 0.00 N ATOM 601 NH2 ARG A 40 87.104 -5.767 -11.077 1.00 0.00 N ATOM 0 H ARG A 40 88.552 1.021 -10.677 1.00 0.00 H new ATOM 0 HA ARG A 40 90.644 -0.572 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 40 89.106 -0.520 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.821 -0.699 -12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 40 90.376 -2.933 -11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 40 90.554 -2.528 -10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 40 88.051 -2.018 -10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 40 87.931 -2.615 -11.754 1.00 0.00 H new ATOM 0 HE ARG A 40 89.275 -4.525 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.451 -3.510 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.429 -4.834 -9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.854 -6.068 -11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.221 -6.277 -11.059 1.00 0.00 H new ATOM 615 N PRO A 41 92.709 0.487 -10.781 1.00 0.00 N ATOM 616 CA PRO A 41 93.896 1.380 -10.842 1.00 0.00 C ATOM 617 C PRO A 41 93.665 2.536 -11.812 1.00 0.00 C ATOM 618 O PRO A 41 93.454 2.349 -13.010 1.00 0.00 O ATOM 619 CB PRO A 41 95.026 0.440 -11.289 1.00 0.00 C ATOM 620 CG PRO A 41 94.463 -0.948 -11.291 1.00 0.00 C ATOM 621 CD PRO A 41 93.143 -0.894 -10.523 1.00 0.00 C ATOM 0 HA PRO A 41 94.125 1.867 -9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.385 0.712 -12.282 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.877 0.510 -10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 41 94.302 -1.298 -12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.155 -1.646 -10.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 92.424 -1.625 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 41 93.279 -1.089 -9.459 1.00 0.00 H new ATOM 629 N GLY A 42 93.873 3.731 -11.275 1.00 0.00 N ATOM 630 CA GLY A 42 93.995 4.980 -12.019 1.00 0.00 C ATOM 631 C GLY A 42 92.708 5.454 -12.692 1.00 0.00 C ATOM 632 O GLY A 42 92.388 6.638 -12.582 1.00 0.00 O ATOM 0 H GLY A 42 93.965 3.863 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 94.341 5.759 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 94.764 4.858 -12.782 1.00 0.00 H new ATOM 636 N SER A 43 91.858 4.564 -13.203 1.00 0.00 N ATOM 637 CA SER A 43 90.534 4.986 -13.659 1.00 0.00 C ATOM 638 C SER A 43 89.536 3.829 -13.724 1.00 0.00 C ATOM 639 O SER A 43 89.644 2.999 -14.628 1.00 0.00 O ATOM 640 CB SER A 43 90.685 5.676 -15.020 1.00 0.00 C ATOM 641 OG SER A 43 92.050 5.605 -15.409 1.00 0.00 O ATOM 0 H SER A 43 92.055 3.569 -13.310 1.00 0.00 H new ATOM 0 HA SER A 43 90.121 5.686 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 43 90.053 5.191 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.362 6.715 -14.956 1.00 0.00 H new ATOM 0 HG SER A 43 92.165 6.041 -16.279 1.00 0.00 H new ATOM 647 N SER A 44 88.473 3.847 -12.924 1.00 0.00 N ATOM 648 CA SER A 44 87.399 2.878 -13.125 1.00 0.00 C ATOM 649 C SER A 44 86.176 3.200 -12.264 1.00 0.00 C ATOM 650 O SER A 44 86.014 2.632 -11.185 1.00 0.00 O ATOM 651 CB SER A 44 87.951 1.483 -12.819 1.00 0.00 C ATOM 652 OG SER A 44 89.320 1.606 -12.457 1.00 0.00 O ATOM 0 H SER A 44 88.333 4.500 -12.153 1.00 0.00 H new ATOM 0 HA SER A 44 87.058 2.921 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 44 87.386 1.022 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 44 87.847 0.836 -13.690 1.00 0.00 H new ATOM 0 HG SER A 44 89.883 1.378 -13.226 1.00 0.00 H new ATOM 658 N PRO A 45 85.213 3.931 -12.751 1.00 0.00 N ATOM 659 CA PRO A 45 83.969 4.197 -11.974 1.00 0.00 C ATOM 660 C PRO A 45 82.994 3.022 -12.049 1.00 0.00 C ATOM 661 O PRO A 45 82.529 2.678 -13.136 1.00 0.00 O ATOM 662 CB PRO A 45 83.388 5.462 -12.624 1.00 0.00 C ATOM 663 CG PRO A 45 84.307 5.848 -13.741 1.00 0.00 C ATOM 664 CD PRO A 45 85.199 4.641 -14.039 1.00 0.00 C ATOM 0 HA PRO A 45 84.163 4.330 -10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 45 82.383 5.274 -13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 45 83.309 6.268 -11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 45 83.737 6.132 -14.626 1.00 0.00 H new ATOM 0 HG3 PRO A 45 84.911 6.711 -13.460 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.792 4.023 -14.839 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.200 4.942 -14.347 1.00 0.00 H new ATOM 672 N THR A 46 82.631 2.443 -10.906 1.00 0.00 N ATOM 673 CA THR A 46 81.674 1.344 -10.897 1.00 0.00 C ATOM 674 C THR A 46 80.862 1.366 -9.606 1.00 0.00 C ATOM 675 O THR A 46 81.292 0.840 -8.579 1.00 0.00 O ATOM 676 CB THR A 46 82.422 0.016 -11.021 1.00 0.00 C ATOM 677 OG1 THR A 46 83.082 -0.030 -12.277 1.00 0.00 O ATOM 678 CG2 THR A 46 81.442 -1.155 -10.924 1.00 0.00 C ATOM 0 H THR A 46 82.981 2.713 -9.987 1.00 0.00 H new ATOM 0 HA THR A 46 80.992 1.455 -11.740 1.00 0.00 H new ATOM 0 HB THR A 46 83.148 -0.061 -10.212 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.565 -0.879 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 46 81.988 -2.094 -11.014 1.00 0.00 H new ATOM 0 HG22 THR A 46 80.931 -1.123 -9.962 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.709 -1.083 -11.727 1.00 0.00 H new ATOM 686 N THR A 47 79.663 1.937 -9.679 1.00 0.00 N ATOM 687 CA THR A 47 78.788 1.975 -8.513 1.00 0.00 C ATOM 688 C THR A 47 78.401 0.552 -8.129 1.00 0.00 C ATOM 689 O THR A 47 77.744 -0.147 -8.902 1.00 0.00 O ATOM 690 CB THR A 47 77.535 2.794 -8.828 1.00 0.00 C ATOM 691 OG1 THR A 47 77.930 4.059 -9.340 1.00 0.00 O ATOM 692 CG2 THR A 47 76.704 3.000 -7.559 1.00 0.00 C ATOM 0 H THR A 47 79.280 2.373 -10.518 1.00 0.00 H new ATOM 0 HA THR A 47 79.311 2.444 -7.680 1.00 0.00 H new ATOM 0 HB THR A 47 76.931 2.261 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.444 4.542 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.815 3.584 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.405 2.031 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.299 3.531 -6.816 1.00 0.00 H new ATOM 700 N VAL A 48 78.743 0.151 -6.908 1.00 0.00 N ATOM 701 CA VAL A 48 78.527 -1.235 -6.505 1.00 0.00 C ATOM 702 C VAL A 48 77.263 -1.367 -5.659 1.00 0.00 C ATOM 703 O VAL A 48 76.540 -2.352 -5.803 1.00 0.00 O ATOM 704 CB VAL A 48 79.738 -1.740 -5.711 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.393 -3.023 -4.945 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.889 -2.033 -6.679 1.00 0.00 C ATOM 0 H VAL A 48 79.161 0.749 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 48 78.403 -1.838 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 48 80.028 -0.971 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.268 -3.362 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.577 -2.824 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 48 79.089 -3.797 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.753 -2.392 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.578 -2.794 -7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.157 -1.121 -7.213 1.00 0.00 H new ATOM 716 N ILE A 49 76.882 -0.312 -4.944 1.00 0.00 N ATOM 717 CA ILE A 49 75.639 -0.306 -4.187 1.00 0.00 C ATOM 718 C ILE A 49 75.052 1.102 -4.229 1.00 0.00 C ATOM 719 O ILE A 49 75.747 2.080 -3.956 1.00 0.00 O ATOM 720 CB ILE A 49 75.924 -0.756 -2.748 1.00 0.00 C ATOM 721 CG1 ILE A 49 76.067 -2.281 -2.668 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.789 -0.307 -1.826 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.765 -2.683 -1.365 1.00 0.00 C ATOM 0 H ILE A 49 77.420 0.552 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 49 74.915 -0.997 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 49 76.861 -0.298 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 49 75.084 -2.748 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.639 -2.645 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.999 -0.630 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.707 0.780 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.851 -0.750 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.859 -3.768 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.756 -2.231 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.177 -2.336 -0.515 1.00 0.00 H new ATOM 735 N TYR A 50 73.728 1.161 -4.326 1.00 0.00 N ATOM 736 CA TYR A 50 72.993 2.421 -4.292 1.00 0.00 C ATOM 737 C TYR A 50 71.768 2.275 -3.393 1.00 0.00 C ATOM 738 O TYR A 50 71.402 1.156 -3.031 1.00 0.00 O ATOM 739 CB TYR A 50 72.552 2.814 -5.704 1.00 0.00 C ATOM 740 CG TYR A 50 71.723 4.077 -5.645 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.323 5.272 -5.231 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.357 4.049 -5.956 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.579 6.457 -5.202 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.610 5.233 -5.909 1.00 0.00 C ATOM 745 CZ TYR A 50 70.222 6.438 -5.542 1.00 0.00 C ATOM 746 OH TYR A 50 69.475 7.595 -5.448 1.00 0.00 O ATOM 0 H TYR A 50 73.135 0.338 -4.430 1.00 0.00 H new ATOM 0 HA TYR A 50 73.644 3.200 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.425 2.970 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.972 2.007 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.361 5.280 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.882 3.119 -6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.052 7.385 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.559 5.217 -6.157 1.00 0.00 H new ATOM 0 HH TYR A 50 68.552 7.412 -5.721 1.00 0.00 H new ATOM 756 N GLU A 51 71.406 3.387 -2.763 1.00 0.00 N ATOM 757 CA GLU A 51 70.354 3.400 -1.751 1.00 0.00 C ATOM 758 C GLU A 51 70.711 2.458 -0.607 1.00 0.00 C ATOM 759 O GLU A 51 69.865 1.928 0.112 1.00 0.00 O ATOM 760 CB GLU A 51 69.103 2.844 -2.446 1.00 0.00 C ATOM 761 CG GLU A 51 67.854 3.196 -1.634 1.00 0.00 C ATOM 762 CD GLU A 51 67.461 4.653 -1.853 1.00 0.00 C ATOM 763 OE1 GLU A 51 67.445 5.079 -2.996 1.00 0.00 O ATOM 764 OE2 GLU A 51 67.317 5.353 -0.865 1.00 0.00 O ATOM 0 H GLU A 51 71.829 4.299 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 51 70.212 4.403 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.022 3.257 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.186 1.762 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.030 2.544 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.041 3.020 -0.575 1.00 0.00 H new ATOM 771 N ASP A 52 72.006 2.207 -0.501 1.00 0.00 N ATOM 772 CA ASP A 52 72.581 1.340 0.519 1.00 0.00 C ATOM 773 C ASP A 52 71.707 0.099 0.659 1.00 0.00 C ATOM 774 O ASP A 52 71.944 -0.715 1.551 1.00 0.00 O ATOM 775 CB ASP A 52 72.589 2.075 1.865 1.00 0.00 C ATOM 776 CG ASP A 52 71.218 2.056 2.536 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.799 0.990 2.955 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.537 3.065 2.465 1.00 0.00 O ATOM 0 H ASP A 52 72.701 2.607 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 52 73.597 1.065 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.322 1.613 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 72.903 3.107 1.712 1.00 0.00 H new ATOM 783 N ASN A 53 70.865 -0.168 -0.336 1.00 0.00 N ATOM 784 CA ASN A 53 70.162 -1.439 -0.446 1.00 0.00 C ATOM 785 C ASN A 53 70.322 -2.044 -1.833 1.00 0.00 C ATOM 786 O ASN A 53 70.318 -3.262 -2.003 1.00 0.00 O ATOM 787 CB ASN A 53 68.700 -1.215 -0.042 1.00 0.00 C ATOM 788 CG ASN A 53 67.808 -0.968 -1.253 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.432 -1.918 -1.940 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.375 0.237 -1.505 1.00 0.00 N ATOM 0 H ASN A 53 70.653 0.490 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 53 70.595 -2.174 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.337 -2.085 0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.637 -0.363 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.723 0.394 -2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.689 1.022 -0.934 1.00 0.00 H new ATOM 797 N GLN A 54 70.108 -1.171 -2.817 1.00 0.00 N ATOM 798 CA GLN A 54 69.910 -1.616 -4.191 1.00 0.00 C ATOM 799 C GLN A 54 71.262 -1.622 -4.892 1.00 0.00 C ATOM 800 O GLN A 54 72.061 -0.710 -4.684 1.00 0.00 O ATOM 801 CB GLN A 54 68.888 -0.758 -4.945 1.00 0.00 C ATOM 802 CG GLN A 54 69.539 0.406 -5.698 1.00 0.00 C ATOM 803 CD GLN A 54 70.163 -0.073 -7.007 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.452 -0.432 -7.946 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.463 -0.143 -7.112 1.00 0.00 N ATOM 0 H GLN A 54 70.068 -0.160 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 54 69.493 -2.623 -4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 54 68.344 -1.384 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 54 68.157 -0.365 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.793 1.173 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.304 0.866 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.054 0.154 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.887 -0.494 -7.970 1.00 0.00 H new ATOM 814 N ARG A 55 71.515 -2.625 -5.726 1.00 0.00 N ATOM 815 CA ARG A 55 72.784 -2.701 -6.441 1.00 0.00 C ATOM 816 C ARG A 55 72.548 -3.236 -7.852 1.00 0.00 C ATOM 817 O ARG A 55 71.698 -4.106 -8.036 1.00 0.00 O ATOM 818 CB ARG A 55 73.778 -3.596 -5.697 1.00 0.00 C ATOM 819 CG ARG A 55 73.153 -4.944 -5.321 1.00 0.00 C ATOM 820 CD ARG A 55 72.482 -4.873 -3.945 1.00 0.00 C ATOM 821 NE ARG A 55 71.986 -6.192 -3.568 1.00 0.00 N ATOM 822 CZ ARG A 55 72.372 -6.792 -2.446 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.594 -7.236 -2.337 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.543 -6.899 -1.444 1.00 0.00 N ATOM 0 H ARG A 55 70.867 -3.388 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 55 73.210 -1.699 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 55 74.656 -3.763 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 55 74.120 -3.089 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.418 -5.231 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 55 73.922 -5.717 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.194 -4.516 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 55 71.660 -4.158 -3.968 1.00 0.00 H new ATOM 0 HE ARG A 55 71.325 -6.667 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 55 74.249 -7.122 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 55 73.894 -7.697 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.598 -6.522 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.840 -7.359 -0.584 1.00 0.00 H new ATOM 838 N PRO A 56 73.275 -2.787 -8.842 1.00 0.00 N ATOM 839 CA PRO A 56 73.089 -3.293 -10.231 1.00 0.00 C ATOM 840 C PRO A 56 73.335 -4.797 -10.310 1.00 0.00 C ATOM 841 O PRO A 56 74.191 -5.334 -9.608 1.00 0.00 O ATOM 842 CB PRO A 56 74.097 -2.518 -11.090 1.00 0.00 C ATOM 843 CG PRO A 56 74.801 -1.542 -10.202 1.00 0.00 C ATOM 844 CD PRO A 56 74.331 -1.764 -8.761 1.00 0.00 C ATOM 0 HA PRO A 56 72.067 -3.140 -10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.812 -3.201 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.587 -1.998 -11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.880 -1.677 -10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.586 -0.521 -10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.153 -2.098 -8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.949 -0.840 -8.326 1.00 0.00 H new ATOM 852 N SER A 57 72.663 -5.450 -11.251 1.00 0.00 N ATOM 853 CA SER A 57 72.875 -6.875 -11.475 1.00 0.00 C ATOM 854 C SER A 57 74.239 -7.124 -12.109 1.00 0.00 C ATOM 855 O SER A 57 74.784 -8.224 -12.026 1.00 0.00 O ATOM 856 CB SER A 57 71.778 -7.429 -12.385 1.00 0.00 C ATOM 857 OG SER A 57 71.737 -6.680 -13.591 1.00 0.00 O ATOM 0 H SER A 57 71.972 -5.020 -11.866 1.00 0.00 H new ATOM 0 HA SER A 57 72.839 -7.383 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.969 -8.480 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 70.813 -7.379 -11.881 1.00 0.00 H new ATOM 0 HG SER A 57 71.035 -7.037 -14.174 1.00 0.00 H new ATOM 863 N GLY A 58 74.778 -6.096 -12.757 1.00 0.00 N ATOM 864 CA GLY A 58 76.068 -6.222 -13.426 1.00 0.00 C ATOM 865 C GLY A 58 77.175 -6.511 -12.417 1.00 0.00 C ATOM 866 O GLY A 58 77.953 -7.448 -12.595 1.00 0.00 O ATOM 0 H GLY A 58 74.347 -5.175 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.024 -7.023 -14.164 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.294 -5.303 -13.967 1.00 0.00 H new ATOM 870 N VAL A 59 77.168 -5.787 -11.302 1.00 0.00 N ATOM 871 CA VAL A 59 78.189 -5.982 -10.279 1.00 0.00 C ATOM 872 C VAL A 59 77.802 -7.158 -9.386 1.00 0.00 C ATOM 873 O VAL A 59 76.619 -7.335 -9.097 1.00 0.00 O ATOM 874 CB VAL A 59 78.334 -4.713 -9.436 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.830 -3.571 -10.324 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.978 -4.340 -8.832 1.00 0.00 C ATOM 0 H VAL A 59 76.476 -5.069 -11.085 1.00 0.00 H new ATOM 0 HA VAL A 59 79.143 -6.196 -10.761 1.00 0.00 H new ATOM 0 HB VAL A 59 79.049 -4.889 -8.633 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.935 -2.665 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.796 -3.837 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 59 78.113 -3.396 -11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.083 -3.436 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.260 -4.163 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.624 -5.155 -8.201 1.00 0.00 H new ATOM 886 N PRO A 60 78.724 -7.987 -8.973 1.00 0.00 N ATOM 887 CA PRO A 60 78.384 -9.138 -8.092 1.00 0.00 C ATOM 888 C PRO A 60 77.583 -8.668 -6.880 1.00 0.00 C ATOM 889 O PRO A 60 78.141 -8.044 -5.980 1.00 0.00 O ATOM 890 CB PRO A 60 79.736 -9.746 -7.689 1.00 0.00 C ATOM 891 CG PRO A 60 80.814 -8.935 -8.340 1.00 0.00 C ATOM 892 CD PRO A 60 80.156 -7.947 -9.309 1.00 0.00 C ATOM 0 HA PRO A 60 77.756 -9.875 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.852 -9.736 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 60 79.797 -10.787 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.393 -8.400 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.508 -9.585 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.563 -6.943 -9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.327 -8.237 -10.346 1.00 0.00 H new ATOM 900 N ASP A 61 76.365 -9.178 -6.733 1.00 0.00 N ATOM 901 CA ASP A 61 75.552 -8.856 -5.567 1.00 0.00 C ATOM 902 C ASP A 61 76.249 -9.282 -4.279 1.00 0.00 C ATOM 903 O ASP A 61 75.629 -9.322 -3.216 1.00 0.00 O ATOM 904 CB ASP A 61 74.182 -9.525 -5.679 1.00 0.00 C ATOM 905 CG ASP A 61 73.391 -8.872 -6.809 1.00 0.00 C ATOM 906 OD1 ASP A 61 73.518 -7.669 -6.973 1.00 0.00 O ATOM 907 OD2 ASP A 61 72.732 -9.594 -7.540 1.00 0.00 O ATOM 0 H ASP A 61 75.923 -9.810 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 61 75.415 -7.775 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.300 -10.591 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.640 -9.429 -4.738 1.00 0.00 H new ATOM 912 N ARG A 62 77.456 -9.820 -4.421 1.00 0.00 N ATOM 913 CA ARG A 62 78.197 -10.331 -3.275 1.00 0.00 C ATOM 914 C ARG A 62 78.315 -9.286 -2.171 1.00 0.00 C ATOM 915 O ARG A 62 78.528 -9.627 -1.008 1.00 0.00 O ATOM 916 CB ARG A 62 79.600 -10.745 -3.722 1.00 0.00 C ATOM 917 CG ARG A 62 79.500 -11.946 -4.664 1.00 0.00 C ATOM 918 CD ARG A 62 80.905 -12.444 -5.004 1.00 0.00 C ATOM 919 NE ARG A 62 81.695 -11.358 -5.572 1.00 0.00 N ATOM 920 CZ ARG A 62 82.866 -10.999 -5.056 1.00 0.00 C ATOM 921 NH1 ARG A 62 82.914 -10.530 -3.839 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.949 -11.046 -5.783 1.00 0.00 N ATOM 0 H ARG A 62 77.939 -9.913 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 62 77.653 -11.188 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.093 -9.914 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.210 -10.999 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 62 78.924 -12.743 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 62 78.972 -11.665 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.391 -12.827 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 62 80.845 -13.270 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 62 81.339 -10.860 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.057 -10.442 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 62 83.808 -10.252 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.899 -11.359 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.845 -10.769 -5.382 1.00 0.00 H new ATOM 936 N PHE A 63 78.180 -8.013 -2.529 1.00 0.00 N ATOM 937 CA PHE A 63 78.270 -6.959 -1.527 1.00 0.00 C ATOM 938 C PHE A 63 76.993 -6.918 -0.699 1.00 0.00 C ATOM 939 O PHE A 63 75.891 -6.829 -1.242 1.00 0.00 O ATOM 940 CB PHE A 63 78.489 -5.601 -2.197 1.00 0.00 C ATOM 941 CG PHE A 63 79.487 -5.744 -3.318 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.028 -6.024 -4.609 1.00 0.00 C ATOM 943 CD2 PHE A 63 80.851 -5.540 -3.080 1.00 0.00 C ATOM 944 CE1 PHE A 63 79.933 -6.067 -5.676 1.00 0.00 C ATOM 945 CE2 PHE A 63 81.761 -5.654 -4.139 1.00 0.00 C ATOM 946 CZ PHE A 63 81.305 -5.956 -5.427 1.00 0.00 C ATOM 0 H PHE A 63 78.012 -7.692 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 63 79.118 -7.173 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.544 -5.219 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.850 -4.878 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 63 77.978 -6.207 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.199 -5.296 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 63 79.573 -6.185 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.816 -5.509 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.013 -6.103 -6.229 1.00 0.00 H new ATOM 956 N SER A 64 77.152 -6.932 0.621 1.00 0.00 N ATOM 957 CA SER A 64 76.003 -6.895 1.520 1.00 0.00 C ATOM 958 C SER A 64 75.923 -5.564 2.250 1.00 0.00 C ATOM 959 O SER A 64 76.656 -5.317 3.199 1.00 0.00 O ATOM 960 CB SER A 64 76.079 -8.050 2.519 1.00 0.00 C ATOM 961 OG SER A 64 74.794 -8.294 3.072 1.00 0.00 O ATOM 0 H SER A 64 78.057 -6.968 1.089 1.00 0.00 H new ATOM 0 HA SER A 64 75.098 -7.004 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.448 -8.948 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.787 -7.810 3.313 1.00 0.00 H new ATOM 0 HG SER A 64 74.848 -9.036 3.710 1.00 0.00 H new ATOM 967 N GLY A 65 74.790 -4.910 2.048 1.00 0.00 N ATOM 968 CA GLY A 65 74.503 -3.618 2.654 1.00 0.00 C ATOM 969 C GLY A 65 73.562 -3.782 3.842 1.00 0.00 C ATOM 970 O GLY A 65 72.520 -4.429 3.736 1.00 0.00 O ATOM 0 H GLY A 65 74.038 -5.262 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.431 -3.149 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.053 -2.955 1.915 1.00 0.00 H new ATOM 974 N SER A 66 73.970 -3.257 4.992 1.00 0.00 N ATOM 975 CA SER A 66 73.186 -3.422 6.208 1.00 0.00 C ATOM 976 C SER A 66 73.644 -2.431 7.272 1.00 0.00 C ATOM 977 O SER A 66 74.647 -1.738 7.099 1.00 0.00 O ATOM 978 CB SER A 66 73.342 -4.851 6.728 1.00 0.00 C ATOM 979 OG SER A 66 74.531 -4.947 7.498 1.00 0.00 O ATOM 0 H SER A 66 74.829 -2.720 5.107 1.00 0.00 H new ATOM 0 HA SER A 66 72.137 -3.231 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.479 -5.125 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.379 -5.551 5.893 1.00 0.00 H new ATOM 0 HG SER A 66 75.305 -4.743 6.932 1.00 0.00 H new ATOM 985 N ILE A 67 72.844 -2.289 8.323 1.00 0.00 N ATOM 986 CA ILE A 67 73.131 -1.331 9.386 1.00 0.00 C ATOM 987 C ILE A 67 72.943 -1.969 10.757 1.00 0.00 C ATOM 988 O ILE A 67 72.375 -3.055 10.877 1.00 0.00 O ATOM 989 CB ILE A 67 72.201 -0.122 9.261 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.730 -0.555 9.345 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.505 0.567 7.926 1.00 0.00 C ATOM 992 CD1 ILE A 67 70.156 -0.313 10.745 1.00 0.00 C ATOM 0 H ILE A 67 71.989 -2.827 8.462 1.00 0.00 H new ATOM 0 HA ILE A 67 74.168 -1.012 9.286 1.00 0.00 H new ATOM 0 HB ILE A 67 72.371 0.574 10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.144 -0.004 8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.645 -1.612 9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 67 71.856 1.435 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.546 0.888 7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.329 -0.131 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 69.113 -0.630 10.771 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.727 -0.885 11.476 1.00 0.00 H new ATOM 0 HD13 ILE A 67 70.218 0.748 10.985 1.00 0.00 H new ATOM 1004 N ASP A 68 73.540 -1.344 11.766 1.00 0.00 N ATOM 1005 CA ASP A 68 73.417 -1.815 13.142 1.00 0.00 C ATOM 1006 C ASP A 68 72.263 -1.119 13.860 1.00 0.00 C ATOM 1007 O ASP A 68 71.827 -0.040 13.462 1.00 0.00 O ATOM 1008 CB ASP A 68 74.739 -1.585 13.884 1.00 0.00 C ATOM 1009 CG ASP A 68 75.546 -2.877 13.971 1.00 0.00 C ATOM 1010 OD1 ASP A 68 75.001 -3.856 14.454 1.00 0.00 O ATOM 1011 OD2 ASP A 68 76.661 -2.894 13.477 1.00 0.00 O ATOM 0 H ASP A 68 74.115 -0.509 11.657 1.00 0.00 H new ATOM 0 HA ASP A 68 73.198 -2.883 13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 75.322 -0.821 13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 68 74.537 -1.209 14.887 1.00 0.00 H new ATOM 1016 N SER A 69 71.844 -1.703 14.978 1.00 0.00 N ATOM 1017 CA SER A 69 70.781 -1.130 15.799 1.00 0.00 C ATOM 1018 C SER A 69 71.241 0.165 16.465 1.00 0.00 C ATOM 1019 O SER A 69 70.814 0.487 17.575 1.00 0.00 O ATOM 1020 CB SER A 69 70.354 -2.141 16.866 1.00 0.00 C ATOM 1021 OG SER A 69 70.330 -3.442 16.299 1.00 0.00 O ATOM 0 H SER A 69 72.226 -2.577 15.338 1.00 0.00 H new ATOM 0 HA SER A 69 69.933 -0.898 15.154 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.046 -2.112 17.708 1.00 0.00 H new ATOM 0 HB3 SER A 69 69.369 -1.883 17.254 1.00 0.00 H new ATOM 0 HG SER A 69 70.058 -4.091 16.981 1.00 0.00 H new ATOM 1027 N SER A 70 72.142 0.888 15.807 1.00 0.00 N ATOM 1028 CA SER A 70 72.667 2.144 16.330 1.00 0.00 C ATOM 1029 C SER A 70 72.422 3.269 15.330 1.00 0.00 C ATOM 1030 O SER A 70 72.122 4.397 15.718 1.00 0.00 O ATOM 1031 CB SER A 70 74.170 2.005 16.586 1.00 0.00 C ATOM 1032 OG SER A 70 74.369 1.347 17.830 1.00 0.00 O ATOM 0 H SER A 70 72.527 0.621 14.901 1.00 0.00 H new ATOM 0 HA SER A 70 72.158 2.380 17.265 1.00 0.00 H new ATOM 0 HB2 SER A 70 74.638 1.438 15.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 74.642 2.987 16.600 1.00 0.00 H new ATOM 0 HG SER A 70 75.329 1.253 18.000 1.00 0.00 H new ATOM 1038 N SER A 71 72.729 2.993 14.067 1.00 0.00 N ATOM 1039 CA SER A 71 72.636 4.000 13.014 1.00 0.00 C ATOM 1040 C SER A 71 73.844 4.931 13.047 1.00 0.00 C ATOM 1041 O SER A 71 73.736 6.105 12.695 1.00 0.00 O ATOM 1042 CB SER A 71 71.347 4.814 13.165 1.00 0.00 C ATOM 1043 OG SER A 71 70.313 3.959 13.631 1.00 0.00 O ATOM 0 H SER A 71 73.045 2.078 13.746 1.00 0.00 H new ATOM 0 HA SER A 71 72.620 3.484 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.500 5.636 13.865 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.067 5.257 12.209 1.00 0.00 H new ATOM 0 HG SER A 71 69.485 4.473 13.732 1.00 0.00 H new ATOM 1049 N ASN A 72 74.957 4.440 13.583 1.00 0.00 N ATOM 1050 CA ASN A 72 76.166 5.248 13.715 1.00 0.00 C ATOM 1051 C ASN A 72 77.134 4.956 12.573 1.00 0.00 C ATOM 1052 O ASN A 72 78.011 5.764 12.265 1.00 0.00 O ATOM 1053 CB ASN A 72 76.844 4.947 15.056 1.00 0.00 C ATOM 1054 CG ASN A 72 77.676 6.142 15.510 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.211 7.280 15.445 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.903 5.964 15.918 1.00 0.00 N ATOM 0 H ASN A 72 75.047 3.486 13.933 1.00 0.00 H new ATOM 0 HA ASN A 72 75.887 6.301 13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.090 4.714 15.808 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.481 4.068 14.960 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.474 6.767 16.182 1.00 0.00 H new ATOM 0 HD22 ASN A 72 79.291 5.022 15.973 1.00 0.00 H new ATOM 1063 N SER A 73 76.937 3.813 11.924 1.00 0.00 N ATOM 1064 CA SER A 73 77.779 3.449 10.791 1.00 0.00 C ATOM 1065 C SER A 73 77.057 2.429 9.916 1.00 0.00 C ATOM 1066 O SER A 73 76.140 1.757 10.387 1.00 0.00 O ATOM 1067 CB SER A 73 79.109 2.870 11.277 1.00 0.00 C ATOM 1068 OG SER A 73 78.902 1.531 11.701 1.00 0.00 O ATOM 0 H SER A 73 76.214 3.133 12.158 1.00 0.00 H new ATOM 0 HA SER A 73 77.983 4.345 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.848 2.902 10.477 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.503 3.469 12.098 1.00 0.00 H new ATOM 0 HG SER A 73 79.750 1.152 12.013 1.00 0.00 H new ATOM 1074 N ALA A 74 77.601 2.148 8.735 1.00 0.00 N ATOM 1075 CA ALA A 74 76.957 1.223 7.808 1.00 0.00 C ATOM 1076 C ALA A 74 77.735 -0.082 7.782 1.00 0.00 C ATOM 1077 O ALA A 74 78.871 -0.140 7.311 1.00 0.00 O ATOM 1078 CB ALA A 74 76.923 1.824 6.401 1.00 0.00 C ATOM 0 H ALA A 74 78.479 2.544 8.399 1.00 0.00 H new ATOM 0 HA ALA A 74 75.935 1.039 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.440 1.125 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.363 2.759 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.941 2.017 6.063 1.00 0.00 H new ATOM 1084 N SER A 75 77.076 -1.139 8.249 1.00 0.00 N ATOM 1085 CA SER A 75 77.775 -2.419 8.339 1.00 0.00 C ATOM 1086 C SER A 75 77.421 -3.292 7.139 1.00 0.00 C ATOM 1087 O SER A 75 76.250 -3.406 6.776 1.00 0.00 O ATOM 1088 CB SER A 75 77.326 -3.160 9.601 1.00 0.00 C ATOM 1089 OG SER A 75 77.359 -2.284 10.718 1.00 0.00 O ATOM 0 H SER A 75 76.104 -1.141 8.558 1.00 0.00 H new ATOM 0 HA SER A 75 78.848 -2.226 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.317 -3.550 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 75 77.977 -4.016 9.781 1.00 0.00 H new ATOM 0 HG SER A 75 77.084 -2.770 11.523 1.00 0.00 H new ATOM 1095 N LEU A 76 78.431 -3.476 6.295 1.00 0.00 N ATOM 1096 CA LEU A 76 78.424 -4.406 5.169 1.00 0.00 C ATOM 1097 C LEU A 76 79.156 -5.729 5.382 1.00 0.00 C ATOM 1098 O LEU A 76 80.301 -5.725 5.828 1.00 0.00 O ATOM 1099 CB LEU A 76 78.809 -3.660 3.890 1.00 0.00 C ATOM 1100 CG LEU A 76 79.281 -4.634 2.802 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.985 -4.036 1.423 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.785 -4.890 2.964 1.00 0.00 C ATOM 0 H LEU A 76 79.309 -2.964 6.379 1.00 0.00 H new ATOM 0 HA LEU A 76 77.400 -4.765 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.954 -3.091 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.600 -2.943 4.108 1.00 0.00 H new ATOM 0 HG LEU A 76 78.751 -5.582 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.319 -4.726 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.913 -3.868 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.512 -3.088 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.122 -5.582 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.327 -3.949 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.977 -5.322 3.946 1.00 0.00 H new ATOM 1114 N THR A 77 78.590 -6.824 4.879 1.00 0.00 N ATOM 1115 CA THR A 77 79.336 -8.070 4.696 1.00 0.00 C ATOM 1116 C THR A 77 79.531 -8.435 3.222 1.00 0.00 C ATOM 1117 O THR A 77 78.585 -8.821 2.541 1.00 0.00 O ATOM 1118 CB THR A 77 78.532 -9.162 5.402 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.448 -8.856 6.787 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.204 -10.525 5.223 1.00 0.00 C ATOM 0 H THR A 77 77.613 -6.875 4.589 1.00 0.00 H new ATOM 0 HA THR A 77 80.338 -7.958 5.111 1.00 0.00 H new ATOM 0 HB THR A 77 77.534 -9.205 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.299 -8.475 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.617 -11.290 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.267 -10.763 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.207 -10.495 5.648 1.00 0.00 H new ATOM 1128 N ILE A 78 80.778 -8.628 2.798 1.00 0.00 N ATOM 1129 CA ILE A 78 81.073 -9.128 1.454 1.00 0.00 C ATOM 1130 C ILE A 78 81.443 -10.610 1.505 1.00 0.00 C ATOM 1131 O ILE A 78 82.533 -10.984 1.939 1.00 0.00 O ATOM 1132 CB ILE A 78 82.215 -8.298 0.852 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.671 -7.014 0.206 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.000 -9.098 -0.195 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.691 -5.886 0.369 1.00 0.00 C ATOM 0 H ILE A 78 81.604 -8.445 3.367 1.00 0.00 H new ATOM 0 HA ILE A 78 80.189 -9.030 0.824 1.00 0.00 H new ATOM 0 HB ILE A 78 82.888 -8.037 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.468 -7.185 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.726 -6.733 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 78 83.801 -8.479 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.428 -9.986 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.330 -9.398 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.304 -4.976 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 78 82.872 -5.709 1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.625 -6.168 -0.116 1.00 0.00 H new ATOM 1147 N SER A 79 80.540 -11.445 0.998 1.00 0.00 N ATOM 1148 CA SER A 79 80.771 -12.885 0.909 1.00 0.00 C ATOM 1149 C SER A 79 81.211 -13.293 -0.496 1.00 0.00 C ATOM 1150 O SER A 79 80.672 -12.808 -1.491 1.00 0.00 O ATOM 1151 CB SER A 79 79.491 -13.630 1.299 1.00 0.00 C ATOM 1152 OG SER A 79 79.413 -14.855 0.586 1.00 0.00 O ATOM 0 H SER A 79 79.633 -11.146 0.639 1.00 0.00 H new ATOM 0 HA SER A 79 81.574 -13.149 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.483 -13.822 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.619 -13.014 1.079 1.00 0.00 H new ATOM 0 HG SER A 79 78.594 -15.329 0.839 1.00 0.00 H new ATOM 1158 N GLY A 80 82.130 -14.252 -0.574 1.00 0.00 N ATOM 1159 CA GLY A 80 82.582 -14.766 -1.862 1.00 0.00 C ATOM 1160 C GLY A 80 83.609 -13.829 -2.489 1.00 0.00 C ATOM 1161 O GLY A 80 83.566 -13.539 -3.684 1.00 0.00 O ATOM 0 H GLY A 80 82.574 -14.686 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.019 -15.756 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 80 81.730 -14.880 -2.532 1.00 0.00 H new ATOM 1165 N LEU A 81 84.554 -13.378 -1.671 1.00 0.00 N ATOM 1166 CA LEU A 81 85.635 -12.531 -2.161 1.00 0.00 C ATOM 1167 C LEU A 81 86.647 -13.356 -2.947 1.00 0.00 C ATOM 1168 O LEU A 81 87.146 -14.377 -2.471 1.00 0.00 O ATOM 1169 CB LEU A 81 86.320 -11.846 -0.975 1.00 0.00 C ATOM 1170 CG LEU A 81 87.629 -11.156 -1.390 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.765 -9.798 -0.697 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.841 -12.011 -1.012 1.00 0.00 C ATOM 0 H LEU A 81 84.594 -13.583 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 81 85.220 -11.775 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.643 -11.110 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.528 -12.584 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 81 87.597 -11.022 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.698 -9.325 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.926 -9.161 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.768 -9.940 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.755 -11.501 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.854 -12.167 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.778 -12.975 -1.517 1.00 0.00 H new ATOM 1184 N LYS A 82 86.969 -12.872 -4.143 1.00 0.00 N ATOM 1185 CA LYS A 82 87.950 -13.533 -4.997 1.00 0.00 C ATOM 1186 C LYS A 82 88.847 -12.491 -5.657 1.00 0.00 C ATOM 1187 O LYS A 82 88.598 -11.289 -5.566 1.00 0.00 O ATOM 1188 CB LYS A 82 87.215 -14.367 -6.054 1.00 0.00 C ATOM 1189 CG LYS A 82 87.768 -15.794 -6.111 1.00 0.00 C ATOM 1190 CD LYS A 82 86.887 -16.652 -7.020 1.00 0.00 C ATOM 1191 CE LYS A 82 87.402 -18.091 -7.007 1.00 0.00 C ATOM 1192 NZ LYS A 82 86.470 -18.948 -7.791 1.00 0.00 N ATOM 0 H LYS A 82 86.565 -12.025 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 82 88.578 -14.193 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.150 -14.395 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.318 -13.894 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.792 -15.783 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 82 87.800 -16.222 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.852 -16.620 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.900 -16.258 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.404 -18.136 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.476 -18.455 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 86.814 -19.929 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 85.522 -18.911 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.422 -18.602 -8.771 1.00 0.00 H new ATOM 1206 N THR A 83 89.879 -12.970 -6.340 1.00 0.00 N ATOM 1207 CA THR A 83 90.790 -12.084 -7.055 1.00 0.00 C ATOM 1208 C THR A 83 89.988 -11.056 -7.842 1.00 0.00 C ATOM 1209 O THR A 83 90.537 -10.074 -8.340 1.00 0.00 O ATOM 1210 CB THR A 83 91.683 -12.891 -7.999 1.00 0.00 C ATOM 1211 OG1 THR A 83 90.909 -13.385 -9.082 1.00 0.00 O ATOM 1212 CG2 THR A 83 92.302 -14.059 -7.229 1.00 0.00 C ATOM 0 H THR A 83 90.106 -13.962 -6.414 1.00 0.00 H new ATOM 0 HA THR A 83 91.425 -11.569 -6.335 1.00 0.00 H new ATOM 0 HB THR A 83 92.475 -12.253 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 83 91.483 -13.900 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.940 -14.638 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.898 -13.674 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 83 91.510 -14.698 -6.839 1.00 0.00 H new ATOM 1220 N GLU A 84 88.719 -11.380 -8.074 1.00 0.00 N ATOM 1221 CA GLU A 84 87.831 -10.467 -8.784 1.00 0.00 C ATOM 1222 C GLU A 84 87.427 -9.288 -7.903 1.00 0.00 C ATOM 1223 O GLU A 84 87.340 -8.157 -8.383 1.00 0.00 O ATOM 1224 CB GLU A 84 86.581 -11.215 -9.255 1.00 0.00 C ATOM 1225 CG GLU A 84 85.891 -10.424 -10.369 1.00 0.00 C ATOM 1226 CD GLU A 84 84.691 -11.197 -10.906 1.00 0.00 C ATOM 1227 OE1 GLU A 84 83.648 -11.152 -10.272 1.00 0.00 O ATOM 1228 OE2 GLU A 84 84.829 -11.825 -11.943 1.00 0.00 O ATOM 0 H GLU A 84 88.287 -12.257 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 84 88.370 -10.076 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.854 -12.206 -9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.895 -11.358 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 85.567 -9.455 -9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.597 -10.229 -11.176 1.00 0.00 H new ATOM 1235 N ASP A 85 87.193 -9.539 -6.618 1.00 0.00 N ATOM 1236 CA ASP A 85 86.754 -8.468 -5.729 1.00 0.00 C ATOM 1237 C ASP A 85 87.887 -7.467 -5.517 1.00 0.00 C ATOM 1238 O ASP A 85 87.750 -6.516 -4.747 1.00 0.00 O ATOM 1239 CB ASP A 85 86.285 -9.063 -4.394 1.00 0.00 C ATOM 1240 CG ASP A 85 84.869 -8.607 -4.053 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.032 -8.638 -4.940 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.653 -8.202 -2.924 1.00 0.00 O ATOM 0 H ASP A 85 87.297 -10.453 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 85 85.916 -7.939 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.316 -10.151 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 85 86.968 -8.763 -3.599 1.00 0.00 H new ATOM 1247 N GLU A 86 89.055 -7.775 -6.075 1.00 0.00 N ATOM 1248 CA GLU A 86 90.215 -6.904 -5.916 1.00 0.00 C ATOM 1249 C GLU A 86 89.926 -5.522 -6.493 1.00 0.00 C ATOM 1250 O GLU A 86 89.492 -5.404 -7.640 1.00 0.00 O ATOM 1251 CB GLU A 86 91.428 -7.504 -6.631 1.00 0.00 C ATOM 1252 CG GLU A 86 92.688 -6.735 -6.228 1.00 0.00 C ATOM 1253 CD GLU A 86 93.895 -7.318 -6.953 1.00 0.00 C ATOM 1254 OE1 GLU A 86 93.771 -8.409 -7.483 1.00 0.00 O ATOM 1255 OE2 GLU A 86 94.904 -6.636 -7.025 1.00 0.00 O ATOM 0 H GLU A 86 89.222 -8.611 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 86 90.429 -6.812 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.533 -8.557 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.288 -7.455 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.577 -5.679 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.834 -6.796 -5.150 1.00 0.00 H new ATOM 1262 N ALA A 87 90.186 -4.485 -5.700 1.00 0.00 N ATOM 1263 CA ALA A 87 89.988 -3.106 -6.138 1.00 0.00 C ATOM 1264 C ALA A 87 89.876 -2.189 -4.923 1.00 0.00 C ATOM 1265 O ALA A 87 89.925 -2.647 -3.781 1.00 0.00 O ATOM 1266 CB ALA A 87 88.725 -2.991 -6.999 1.00 0.00 C ATOM 0 H ALA A 87 90.536 -4.575 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 87 90.845 -2.804 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 87 88.594 -1.956 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 87 88.824 -3.630 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 87 87.858 -3.305 -6.417 1.00 0.00 H new ATOM 1272 N ASP A 88 89.818 -0.885 -5.179 1.00 0.00 N ATOM 1273 CA ASP A 88 89.661 0.100 -4.115 1.00 0.00 C ATOM 1274 C ASP A 88 88.186 0.396 -3.865 1.00 0.00 C ATOM 1275 O ASP A 88 87.399 0.509 -4.804 1.00 0.00 O ATOM 1276 CB ASP A 88 90.396 1.389 -4.489 1.00 0.00 C ATOM 1277 CG ASP A 88 91.902 1.209 -4.331 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.308 0.164 -3.848 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.629 2.102 -4.737 1.00 0.00 O ATOM 0 H ASP A 88 89.878 -0.486 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 88 90.090 -0.308 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.162 1.663 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.053 2.207 -3.856 1.00 0.00 H new ATOM 1284 N TYR A 89 87.834 0.612 -2.601 1.00 0.00 N ATOM 1285 CA TYR A 89 86.448 0.866 -2.220 1.00 0.00 C ATOM 1286 C TYR A 89 86.277 2.320 -1.791 1.00 0.00 C ATOM 1287 O TYR A 89 87.187 2.933 -1.231 1.00 0.00 O ATOM 1288 CB TYR A 89 86.045 -0.058 -1.067 1.00 0.00 C ATOM 1289 CG TYR A 89 85.785 -1.454 -1.582 1.00 0.00 C ATOM 1290 CD1 TYR A 89 86.819 -2.181 -2.182 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.502 -2.012 -1.498 1.00 0.00 C ATOM 1292 CE1 TYR A 89 86.583 -3.475 -2.662 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.265 -3.308 -1.974 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.299 -4.027 -2.585 1.00 0.00 C ATOM 1295 OH TYR A 89 85.082 -5.321 -3.014 1.00 0.00 O ATOM 0 H TYR A 89 88.491 0.616 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 89 85.809 0.670 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.835 -0.081 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.151 0.329 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 89 87.802 -1.743 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.694 -1.441 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.392 -4.047 -3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.286 -3.752 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 89 84.350 -5.719 -2.497 1.00 0.00 H new ATOM 1305 N TYR A 90 85.073 2.843 -2.000 1.00 0.00 N ATOM 1306 CA TYR A 90 84.751 4.222 -1.647 1.00 0.00 C ATOM 1307 C TYR A 90 83.290 4.306 -1.216 1.00 0.00 C ATOM 1308 O TYR A 90 82.481 3.493 -1.659 1.00 0.00 O ATOM 1309 CB TYR A 90 84.984 5.129 -2.858 1.00 0.00 C ATOM 1310 CG TYR A 90 86.397 4.950 -3.361 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.706 3.864 -4.189 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.404 5.844 -2.976 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.023 3.668 -4.621 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.713 5.669 -3.443 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.021 4.591 -4.283 1.00 0.00 C ATOM 1316 OH TYR A 90 90.322 4.403 -4.703 1.00 0.00 O ATOM 0 H TYR A 90 84.297 2.327 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 90 85.391 4.547 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.273 4.888 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.814 6.170 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.929 3.178 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.171 6.669 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 90 88.271 2.802 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.486 6.366 -3.155 1.00 0.00 H new ATOM 0 HH TYR A 90 90.885 4.178 -3.933 1.00 0.00 H new ATOM 1326 N CYS A 91 82.944 5.286 -0.381 1.00 0.00 N ATOM 1327 CA CYS A 91 81.572 5.444 0.103 1.00 0.00 C ATOM 1328 C CYS A 91 81.053 6.824 -0.308 1.00 0.00 C ATOM 1329 O CYS A 91 81.783 7.807 -0.181 1.00 0.00 O ATOM 1330 CB CYS A 91 81.491 5.320 1.634 1.00 0.00 C ATOM 1331 SG CYS A 91 81.817 3.661 2.299 1.00 0.00 S ATOM 0 H CYS A 91 83.597 5.984 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 91 80.966 4.652 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 91 82.203 6.017 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.497 5.633 1.955 1.00 0.00 H new ATOM 1336 N GLN A 92 79.782 6.940 -0.707 1.00 0.00 N ATOM 1337 CA GLN A 92 79.179 8.247 -0.968 1.00 0.00 C ATOM 1338 C GLN A 92 77.885 8.406 -0.176 1.00 0.00 C ATOM 1339 O GLN A 92 77.059 7.494 -0.130 1.00 0.00 O ATOM 1340 CB GLN A 92 78.886 8.406 -2.464 1.00 0.00 C ATOM 1341 CG GLN A 92 80.192 8.594 -3.239 1.00 0.00 C ATOM 1342 CD GLN A 92 79.891 8.878 -4.708 1.00 0.00 C ATOM 1343 OE1 GLN A 92 80.391 8.188 -5.596 1.00 0.00 O ATOM 1344 NE2 GLN A 92 79.156 9.908 -5.027 1.00 0.00 N ATOM 0 H GLN A 92 79.156 6.149 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 92 79.884 9.017 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.358 7.527 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.232 9.263 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.763 9.417 -2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.808 7.699 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 92 78.739 10.483 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 92 78.998 10.138 -6.008 1.00 0.00 H new ATOM 1353 N SER A 93 77.687 9.585 0.410 1.00 0.00 N ATOM 1354 CA SER A 93 76.497 9.861 1.211 1.00 0.00 C ATOM 1355 C SER A 93 75.823 11.152 0.758 1.00 0.00 C ATOM 1356 O SER A 93 76.484 12.136 0.428 1.00 0.00 O ATOM 1357 CB SER A 93 76.873 9.982 2.690 1.00 0.00 C ATOM 1358 OG SER A 93 75.882 10.734 3.375 1.00 0.00 O ATOM 0 H SER A 93 78.338 10.367 0.344 1.00 0.00 H new ATOM 0 HA SER A 93 75.802 9.033 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.963 8.991 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.845 10.466 2.790 1.00 0.00 H new ATOM 0 HG SER A 93 75.277 10.124 3.847 1.00 0.00 H new ATOM 1364 N TYR A 94 74.494 11.147 0.795 1.00 0.00 N ATOM 1365 CA TYR A 94 73.709 12.310 0.393 1.00 0.00 C ATOM 1366 C TYR A 94 72.313 12.240 1.011 1.00 0.00 C ATOM 1367 O TYR A 94 71.665 11.194 0.996 1.00 0.00 O ATOM 1368 CB TYR A 94 73.621 12.400 -1.137 1.00 0.00 C ATOM 1369 CG TYR A 94 73.977 11.074 -1.769 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.196 9.941 -1.508 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.098 10.971 -2.603 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.491 8.723 -2.132 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.436 9.737 -3.167 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.656 8.606 -2.900 1.00 0.00 C ATOM 1375 OH TYR A 94 74.946 7.417 -3.534 1.00 0.00 O ATOM 0 H TYR A 94 73.937 10.349 1.100 1.00 0.00 H new ATOM 0 HA TYR A 94 74.206 13.210 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.613 12.691 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.296 13.175 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.364 10.007 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.700 11.843 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.825 7.880 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.300 9.656 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 94 74.692 7.479 -4.478 1.00 0.00 H new ATOM 1385 N ASP A 95 71.837 13.362 1.544 1.00 0.00 N ATOM 1386 CA ASP A 95 70.498 13.420 2.122 1.00 0.00 C ATOM 1387 C ASP A 95 69.539 14.162 1.196 1.00 0.00 C ATOM 1388 O ASP A 95 69.938 14.680 0.152 1.00 0.00 O ATOM 1389 CB ASP A 95 70.564 14.123 3.480 1.00 0.00 C ATOM 1390 CG ASP A 95 71.649 13.485 4.341 1.00 0.00 C ATOM 1391 OD1 ASP A 95 72.473 12.769 3.794 1.00 0.00 O ATOM 1392 OD2 ASP A 95 71.669 13.758 5.531 1.00 0.00 O ATOM 0 H ASP A 95 72.356 14.239 1.588 1.00 0.00 H new ATOM 0 HA ASP A 95 70.126 12.404 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 95 70.774 15.183 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 95 69.600 14.053 3.983 1.00 0.00 H new ATOM 1397 N SER A 96 68.308 14.348 1.664 1.00 0.00 N ATOM 1398 CA SER A 96 67.313 15.071 0.881 1.00 0.00 C ATOM 1399 C SER A 96 67.867 16.434 0.482 1.00 0.00 C ATOM 1400 O SER A 96 67.484 16.999 -0.542 1.00 0.00 O ATOM 1401 CB SER A 96 66.032 15.236 1.702 1.00 0.00 C ATOM 1402 OG SER A 96 65.186 14.116 1.487 1.00 0.00 O ATOM 0 H SER A 96 67.979 14.013 2.569 1.00 0.00 H new ATOM 0 HA SER A 96 67.081 14.508 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 96 66.275 15.324 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 96 65.519 16.154 1.415 1.00 0.00 H new ATOM 0 HG SER A 96 64.366 14.220 2.014 1.00 0.00 H new ATOM 1408 N SER A 97 68.706 16.994 1.347 1.00 0.00 N ATOM 1409 CA SER A 97 69.272 18.314 1.098 1.00 0.00 C ATOM 1410 C SER A 97 70.447 18.228 0.130 1.00 0.00 C ATOM 1411 O SER A 97 71.459 18.904 0.315 1.00 0.00 O ATOM 1412 CB SER A 97 69.742 18.919 2.422 1.00 0.00 C ATOM 1413 OG SER A 97 69.931 20.317 2.266 1.00 0.00 O ATOM 0 H SER A 97 69.007 16.559 2.219 1.00 0.00 H new ATOM 0 HA SER A 97 68.504 18.945 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 97 69.007 18.726 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 97 70.673 18.449 2.738 1.00 0.00 H new ATOM 0 HG SER A 97 70.231 20.703 3.115 1.00 0.00 H new ATOM 1419 N ASN A 98 70.322 17.365 -0.873 1.00 0.00 N ATOM 1420 CA ASN A 98 71.381 17.204 -1.862 1.00 0.00 C ATOM 1421 C ASN A 98 72.739 17.082 -1.176 1.00 0.00 C ATOM 1422 O ASN A 98 73.016 16.086 -0.506 1.00 0.00 O ATOM 1423 CB ASN A 98 71.385 18.402 -2.814 1.00 0.00 C ATOM 1424 CG ASN A 98 70.195 18.312 -3.764 1.00 0.00 C ATOM 1425 OD1 ASN A 98 70.335 17.839 -4.892 1.00 0.00 O ATOM 1426 ND2 ASN A 98 69.022 18.728 -3.372 1.00 0.00 N ATOM 0 H ASN A 98 69.506 16.772 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 98 71.195 16.292 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 98 71.338 19.330 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 98 72.315 18.423 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 98 68.221 18.661 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 98 68.906 19.120 -2.437 1.00 0.00 H new ATOM 1433 N HIS A 99 73.598 18.076 -1.375 1.00 0.00 N ATOM 1434 CA HIS A 99 74.918 18.062 -0.757 1.00 0.00 C ATOM 1435 C HIS A 99 75.561 16.688 -0.898 1.00 0.00 C ATOM 1436 O HIS A 99 75.511 15.870 0.021 1.00 0.00 O ATOM 1437 CB HIS A 99 74.803 18.422 0.724 1.00 0.00 C ATOM 1438 CG HIS A 99 74.111 19.750 0.863 1.00 0.00 C ATOM 1439 ND1 HIS A 99 73.102 19.964 1.788 1.00 0.00 N ATOM 1440 CD2 HIS A 99 74.279 20.946 0.208 1.00 0.00 C ATOM 1441 CE1 HIS A 99 72.708 21.243 1.671 1.00 0.00 C ATOM 1442 NE2 HIS A 99 73.381 21.884 0.714 1.00 0.00 N ATOM 0 H HIS A 99 73.406 18.894 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 99 75.544 18.797 -1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 99 74.244 17.651 1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 99 75.794 18.466 1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 99 74.996 21.131 -0.578 1.00 0.00 H new ATOM 0 HE1 HIS A 99 71.939 21.697 2.278 1.00 0.00 H new ATOM 0 HE2 HIS A 99 73.264 22.853 0.417 1.00 0.00 H new ATOM 1450 N VAL A 100 76.149 16.438 -2.064 1.00 0.00 N ATOM 1451 CA VAL A 100 76.789 15.157 -2.336 1.00 0.00 C ATOM 1452 C VAL A 100 78.230 15.164 -1.835 1.00 0.00 C ATOM 1453 O VAL A 100 78.990 16.093 -2.108 1.00 0.00 O ATOM 1454 CB VAL A 100 76.769 14.886 -3.845 1.00 0.00 C ATOM 1455 CG1 VAL A 100 75.328 14.614 -4.289 1.00 0.00 C ATOM 1456 CG2 VAL A 100 77.372 16.068 -4.622 1.00 0.00 C ATOM 0 H VAL A 100 76.195 17.105 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 100 76.242 14.372 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 100 77.380 14.010 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 100 75.308 14.421 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 100 74.941 13.745 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 100 74.708 15.482 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 100 77.347 15.852 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 100 76.793 16.969 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 100 78.404 16.222 -4.307 1.00 0.00 H new ATOM 1466 N VAL A 101 78.591 14.138 -1.067 1.00 0.00 N ATOM 1467 CA VAL A 101 79.940 14.020 -0.522 1.00 0.00 C ATOM 1468 C VAL A 101 80.478 12.615 -0.767 1.00 0.00 C ATOM 1469 O VAL A 101 79.713 11.666 -0.941 1.00 0.00 O ATOM 1470 CB VAL A 101 79.932 14.316 0.980 1.00 0.00 C ATOM 1471 CG1 VAL A 101 79.610 15.795 1.202 1.00 0.00 C ATOM 1472 CG2 VAL A 101 78.884 13.456 1.690 1.00 0.00 C ATOM 0 H VAL A 101 77.966 13.375 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 101 80.584 14.744 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 101 80.914 14.083 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 101 79.603 16.010 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 101 80.366 16.409 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 101 78.631 16.021 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 101 78.892 13.679 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 101 77.897 13.673 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 101 79.115 12.402 1.538 1.00 0.00 H new ATOM 1482 N PHE A 102 81.800 12.479 -0.738 1.00 0.00 N ATOM 1483 CA PHE A 102 82.441 11.189 -0.973 1.00 0.00 C ATOM 1484 C PHE A 102 83.559 10.967 0.038 1.00 0.00 C ATOM 1485 O PHE A 102 84.244 11.907 0.440 1.00 0.00 O ATOM 1486 CB PHE A 102 83.015 11.146 -2.392 1.00 0.00 C ATOM 1487 CG PHE A 102 84.042 12.240 -2.549 1.00 0.00 C ATOM 1488 CD1 PHE A 102 85.349 12.039 -2.093 1.00 0.00 C ATOM 1489 CD2 PHE A 102 83.692 13.447 -3.167 1.00 0.00 C ATOM 1490 CE1 PHE A 102 86.303 13.054 -2.229 1.00 0.00 C ATOM 1491 CE2 PHE A 102 84.655 14.449 -3.335 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.958 14.253 -2.863 1.00 0.00 C ATOM 0 H PHE A 102 82.448 13.245 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 102 81.697 10.400 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 102 83.470 10.174 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 102 82.217 11.273 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 102 85.622 11.100 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 102 82.681 13.604 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 102 87.303 12.912 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 102 84.393 15.373 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 102 86.699 15.029 -2.988 1.00 0.00 H new ATOM 1502 N GLY A 103 83.733 9.717 0.453 1.00 0.00 N ATOM 1503 CA GLY A 103 84.803 9.389 1.386 1.00 0.00 C ATOM 1504 C GLY A 103 84.859 7.888 1.640 1.00 0.00 C ATOM 1505 O GLY A 103 84.487 7.093 0.777 1.00 0.00 O ATOM 0 H GLY A 103 83.157 8.926 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.758 9.730 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.645 9.916 2.327 1.00 0.00 H new ATOM 1509 N GLY A 104 85.436 7.507 2.774 1.00 0.00 N ATOM 1510 CA GLY A 104 85.546 6.095 3.117 1.00 0.00 C ATOM 1511 C GLY A 104 86.394 5.348 2.093 1.00 0.00 C ATOM 1512 O GLY A 104 85.916 4.420 1.441 1.00 0.00 O ATOM 0 H GLY A 104 85.830 8.147 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 104 85.990 5.991 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.552 5.650 3.165 1.00 0.00 H new ATOM 1516 N GLY A 105 87.606 5.843 1.856 1.00 0.00 N ATOM 1517 CA GLY A 105 88.488 5.250 0.855 1.00 0.00 C ATOM 1518 C GLY A 105 89.352 4.153 1.469 1.00 0.00 C ATOM 1519 O GLY A 105 90.268 4.433 2.244 1.00 0.00 O ATOM 0 H GLY A 105 87.998 6.650 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 105 87.893 4.836 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.126 6.022 0.424 1.00 0.00 H new ATOM 1523 N THR A 106 89.035 2.901 1.145 1.00 0.00 N ATOM 1524 CA THR A 106 89.789 1.756 1.651 1.00 0.00 C ATOM 1525 C THR A 106 90.295 0.892 0.500 1.00 0.00 C ATOM 1526 O THR A 106 89.526 0.478 -0.369 1.00 0.00 O ATOM 1527 CB THR A 106 88.907 0.923 2.585 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.628 1.684 3.751 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.631 -0.363 2.989 1.00 0.00 C ATOM 0 H THR A 106 88.258 2.653 0.532 1.00 0.00 H new ATOM 0 HA THR A 106 90.650 2.126 2.207 1.00 0.00 H new ATOM 0 HB THR A 106 87.982 0.663 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 106 88.225 2.540 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.993 -0.946 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.858 -0.948 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.558 -0.112 3.504 1.00 0.00 H new ATOM 1537 N LYS A 107 91.587 0.577 0.532 1.00 0.00 N ATOM 1538 CA LYS A 107 92.198 -0.251 -0.503 1.00 0.00 C ATOM 1539 C LYS A 107 92.075 -1.727 -0.140 1.00 0.00 C ATOM 1540 O LYS A 107 92.599 -2.171 0.881 1.00 0.00 O ATOM 1541 CB LYS A 107 93.678 0.113 -0.639 1.00 0.00 C ATOM 1542 CG LYS A 107 93.811 1.510 -1.250 1.00 0.00 C ATOM 1543 CD LYS A 107 95.284 1.919 -1.270 1.00 0.00 C ATOM 1544 CE LYS A 107 95.405 3.324 -1.863 1.00 0.00 C ATOM 1545 NZ LYS A 107 94.738 3.365 -3.196 1.00 0.00 N ATOM 0 H LYS A 107 92.230 0.882 1.262 1.00 0.00 H new ATOM 0 HA LYS A 107 91.683 -0.072 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.161 0.085 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.186 -0.619 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.407 1.516 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.231 2.229 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.693 1.901 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.863 1.210 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 107 94.947 4.052 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.455 3.598 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 95.108 4.167 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 94.928 2.479 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.712 3.478 -3.068 1.00 0.00 H new ATOM 1559 N LEU A 108 91.332 -2.473 -0.951 1.00 0.00 N ATOM 1560 CA LEU A 108 91.169 -3.905 -0.733 1.00 0.00 C ATOM 1561 C LEU A 108 92.043 -4.681 -1.711 1.00 0.00 C ATOM 1562 O LEU A 108 91.873 -4.574 -2.926 1.00 0.00 O ATOM 1563 CB LEU A 108 89.703 -4.288 -0.946 1.00 0.00 C ATOM 1564 CG LEU A 108 89.462 -5.746 -0.542 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.716 -5.944 0.955 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.016 -6.124 -0.873 1.00 0.00 C ATOM 0 H LEU A 108 90.834 -2.110 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 108 91.468 -4.149 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.061 -3.631 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.433 -4.146 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 108 90.152 -6.385 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.539 -6.987 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.748 -5.681 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.042 -5.305 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 108 87.837 -7.161 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.335 -5.474 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 108 87.845 -6.007 -1.943 1.00 0.00 H new ATOM 1578 N THR A 109 92.923 -5.520 -1.175 1.00 0.00 N ATOM 1579 CA THR A 109 93.811 -6.334 -1.999 1.00 0.00 C ATOM 1580 C THR A 109 93.563 -7.814 -1.731 1.00 0.00 C ATOM 1581 O THR A 109 93.876 -8.333 -0.660 1.00 0.00 O ATOM 1582 CB THR A 109 95.270 -5.989 -1.694 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.493 -4.614 -1.970 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.192 -6.834 -2.576 1.00 0.00 C ATOM 0 H THR A 109 93.041 -5.655 -0.171 1.00 0.00 H new ATOM 0 HA THR A 109 93.607 -6.124 -3.049 1.00 0.00 H new ATOM 0 HB THR A 109 95.480 -6.195 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.426 -4.388 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.231 -6.587 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.020 -7.891 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.983 -6.626 -3.625 1.00 0.00 H new ATOM 1592 N VAL A 110 93.081 -8.515 -2.749 1.00 0.00 N ATOM 1593 CA VAL A 110 92.769 -9.930 -2.600 1.00 0.00 C ATOM 1594 C VAL A 110 94.056 -10.749 -2.625 1.00 0.00 C ATOM 1595 O VAL A 110 94.072 -11.896 -3.072 1.00 0.00 O ATOM 1596 CB VAL A 110 91.831 -10.383 -3.724 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.489 -11.872 -3.558 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.556 -9.529 -3.721 1.00 0.00 C ATOM 0 H VAL A 110 92.899 -8.132 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 110 92.269 -10.086 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 110 92.333 -10.250 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 110 90.822 -12.184 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.405 -12.462 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 110 90.997 -12.028 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 110 89.896 -9.858 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.047 -9.639 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 110 90.819 -8.482 -3.874 1.00 0.00 H new ATOM 1608 N LEU A 111 95.137 -10.144 -2.141 1.00 0.00 N ATOM 1609 CA LEU A 111 96.436 -10.806 -2.130 1.00 0.00 C ATOM 1610 C LEU A 111 96.732 -11.427 -3.490 1.00 0.00 C ATOM 1611 O LEU A 111 96.571 -12.630 -3.617 1.00 0.00 O ATOM 1612 CB LEU A 111 96.449 -11.901 -1.061 1.00 0.00 C ATOM 1613 CG LEU A 111 96.414 -11.268 0.334 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.099 -12.357 1.363 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.742 -10.580 0.669 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.144 -10.695 -4.376 1.00 0.00 O ATOM 0 H LEU A 111 95.139 -9.201 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 111 97.201 -10.062 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.591 -12.560 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.343 -12.516 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 111 95.639 -10.502 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.071 -11.918 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.131 -12.803 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.870 -13.126 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.683 -10.141 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.548 -11.313 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 111 97.940 -9.796 -0.062 1.00 0.00 H new TER 1628 LEU A 111