USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -177:sc=-0.00788 (180deg=-0.0206) USER MOD Set 1.2: A 119 MET CE :methyl -158:sc= -0.0347 (180deg=-0.757) USER MOD Set 1.3: A 128 GLN : amide:sc= -0.286 K(o=-0.33,f=-1.7!) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.707 K(o=1.9,f=-5.3) USER MOD Set 2.2: A 107 THR OG1 : rot -125:sc= 1.17 USER MOD Set 3.1: A 62 MET CE :methyl 171:sc= -0.0378 (180deg=-0.0925) USER MOD Set 3.2: A 95 CYS SG : rot -161:sc= -1.39 USER MOD Set 4.1: A 5 ASN : amide:sc= 0.846 K(o=1,f=-2.5) USER MOD Set 4.2: A 44 GLN : amide:sc= 0.183 K(o=1,f=-1.1!) USER MOD Set 5.1: A 40 LYS NZ :NH3+ 142:sc= 0.0611 (180deg=0) USER MOD Set 5.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 ASN : amide:sc= 1.27 K(o=2,f=-0.42) USER MOD Set 6.2: A 34 ASN : amide:sc= 0.71 K(o=2,f=0.63) USER MOD Single : A 7 TYR OH : rot -6:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.87 K(o=0.87,f=-0.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0484 K(o=-0.048,f=-0.76) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0.495 (180deg=0.325) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.693 (180deg=0.628) USER MOD Single : A 48 HIS : no HD1:sc= 0.941 K(o=0.94,f=-2.9!) USER MOD Single : A 49 MET CE :methyl 169:sc= 0 (180deg=-0.255) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.301 K(o=0.3,f=-4.8!) USER MOD Single : A 60 TYR OH : rot -68:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.86) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -174:sc= 0 (180deg=-0.0135) USER MOD Single : A 84 THR OG1 : rot -168:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.636 K(o=0.64,f=-1.7) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0.83 (180deg=0.815) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 0.851 (180deg=0.678) USER MOD Single : A 108 GLN : amide:sc= 0.471 K(o=0.47,f=-2.6!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 31:sc= -0.243 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -166:sc= 0.0214 (180deg=0.00518) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.155 -2.188 0.166 1.00 0.00 N ATOM 20 CA PRO A 1 4.569 -1.782 -0.070 1.00 0.00 C ATOM 21 C PRO A 1 5.241 -2.305 -1.382 1.00 0.00 C ATOM 22 O PRO A 1 4.745 -3.198 -2.077 1.00 0.00 O ATOM 23 CB PRO A 1 5.260 -2.310 1.202 1.00 0.00 C ATOM 24 CG PRO A 1 4.432 -3.509 1.659 1.00 0.00 C ATOM 25 CD PRO A 1 2.998 -3.156 1.271 1.00 0.00 C ATOM 0 H2 PRO A 1 2.778 -2.596 -0.690 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.600 -1.357 0.370 1.00 0.00 H new ATOM 0 HA PRO A 1 4.649 -0.707 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.290 -2.602 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.296 -1.542 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.760 -4.427 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.524 -3.668 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.442 -4.038 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.453 -2.721 2.109 1.00 0.00 H new ATOM 33 N VAL A 2 6.418 -1.735 -1.690 1.00 0.00 N ATOM 34 CA VAL A 2 7.242 -2.141 -2.870 1.00 0.00 C ATOM 35 C VAL A 2 8.020 -3.486 -2.633 1.00 0.00 C ATOM 36 O VAL A 2 8.507 -3.766 -1.532 1.00 0.00 O ATOM 37 CB VAL A 2 8.204 -0.985 -3.328 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.487 0.320 -3.741 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.322 -0.644 -2.320 1.00 0.00 C ATOM 0 H VAL A 2 6.834 -0.983 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 2 6.543 -2.331 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 2 8.665 -1.418 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.227 1.062 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.815 0.118 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.912 0.702 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.937 0.163 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.877 -0.330 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.943 -1.524 -2.153 1.00 0.00 H new ATOM 49 N ASP A 3 8.203 -4.298 -3.689 1.00 0.00 N ATOM 50 CA ASP A 3 8.980 -5.561 -3.604 1.00 0.00 C ATOM 51 C ASP A 3 10.519 -5.291 -3.691 1.00 0.00 C ATOM 52 O ASP A 3 11.071 -5.079 -4.775 1.00 0.00 O ATOM 53 CB ASP A 3 8.480 -6.506 -4.728 1.00 0.00 C ATOM 54 CG ASP A 3 7.088 -7.102 -4.513 1.00 0.00 C ATOM 55 OD1 ASP A 3 6.873 -8.121 -3.865 1.00 0.00 O ATOM 56 OD2 ASP A 3 6.112 -6.369 -5.118 1.00 0.00 O ATOM 0 H ASP A 3 7.825 -4.107 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 3 8.821 -6.039 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.480 -5.956 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.194 -7.323 -4.837 1.00 0.00 H new ATOM 62 N PHE A 4 11.220 -5.352 -2.542 1.00 0.00 N ATOM 63 CA PHE A 4 12.718 -5.277 -2.502 1.00 0.00 C ATOM 64 C PHE A 4 13.528 -6.510 -3.060 1.00 0.00 C ATOM 65 O PHE A 4 14.757 -6.431 -3.125 1.00 0.00 O ATOM 66 CB PHE A 4 13.151 -4.933 -1.041 1.00 0.00 C ATOM 67 CG PHE A 4 12.962 -3.515 -0.451 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.444 -2.438 -1.178 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.401 -3.291 0.860 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.389 -1.162 -0.621 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.332 -2.016 1.420 1.00 0.00 C ATOM 72 CZ PHE A 4 12.827 -0.956 0.679 1.00 0.00 C ATOM 0 H PHE A 4 10.786 -5.453 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 4 12.984 -4.494 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.621 -5.622 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.212 -5.170 -0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.082 -2.597 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.796 -4.111 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.006 -0.335 -1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.672 -1.853 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.775 0.031 1.115 1.00 0.00 H new ATOM 82 N ASN A 5 12.874 -7.609 -3.486 1.00 0.00 N ATOM 83 CA ASN A 5 13.498 -8.827 -4.071 1.00 0.00 C ATOM 84 C ASN A 5 14.587 -8.596 -5.174 1.00 0.00 C ATOM 85 O ASN A 5 14.274 -8.107 -6.266 1.00 0.00 O ATOM 86 CB ASN A 5 12.333 -9.673 -4.669 1.00 0.00 C ATOM 87 CG ASN A 5 11.258 -10.152 -3.686 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.337 -9.426 -3.323 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.387 -11.353 -3.195 1.00 0.00 N ATOM 0 H ASN A 5 11.858 -7.682 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 5 14.045 -9.318 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.846 -9.082 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.763 -10.548 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.720 -11.696 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.155 -11.950 -3.502 1.00 0.00 H new ATOM 96 N GLY A 6 15.851 -8.961 -4.893 1.00 0.00 N ATOM 97 CA GLY A 6 16.955 -8.765 -5.870 1.00 0.00 C ATOM 98 C GLY A 6 18.377 -8.699 -5.281 1.00 0.00 C ATOM 99 O GLY A 6 18.587 -8.708 -4.065 1.00 0.00 O ATOM 0 H GLY A 6 16.138 -9.388 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 6 16.921 -9.579 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.768 -7.842 -6.419 1.00 0.00 H new ATOM 103 N TYR A 7 19.363 -8.606 -6.186 1.00 0.00 N ATOM 104 CA TYR A 7 20.787 -8.377 -5.816 1.00 0.00 C ATOM 105 C TYR A 7 21.175 -6.894 -6.125 1.00 0.00 C ATOM 106 O TYR A 7 21.027 -6.412 -7.255 1.00 0.00 O ATOM 107 CB TYR A 7 21.682 -9.412 -6.556 1.00 0.00 C ATOM 108 CG TYR A 7 23.100 -9.595 -5.981 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.088 -8.640 -6.235 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.430 -10.731 -5.235 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.382 -8.818 -5.765 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.724 -10.899 -4.740 1.00 0.00 C ATOM 113 CZ TYR A 7 25.698 -9.942 -5.007 1.00 0.00 C ATOM 114 OH TYR A 7 26.966 -10.090 -4.507 1.00 0.00 O ATOM 0 H TYR A 7 19.208 -8.685 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 7 20.941 -8.527 -4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.177 -10.378 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.768 -9.111 -7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 7 23.842 -7.755 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.679 -11.483 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.143 -8.085 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.969 -11.770 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 7 27.538 -9.372 -4.849 1.00 0.00 H new ATOM 124 N TRP A 8 21.683 -6.196 -5.101 1.00 0.00 N ATOM 125 CA TRP A 8 21.933 -4.732 -5.141 1.00 0.00 C ATOM 126 C TRP A 8 23.443 -4.460 -4.817 1.00 0.00 C ATOM 127 O TRP A 8 23.935 -4.881 -3.765 1.00 0.00 O ATOM 128 CB TRP A 8 21.001 -4.037 -4.101 1.00 0.00 C ATOM 129 CG TRP A 8 19.480 -4.266 -4.208 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.766 -5.351 -3.644 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.519 -3.463 -4.795 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.387 -5.259 -3.896 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.255 -4.074 -4.589 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.612 -2.216 -5.464 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.078 -3.442 -5.042 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.433 -1.610 -5.903 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.187 -2.215 -5.701 1.00 0.00 C ATOM 0 H TRP A 8 21.937 -6.625 -4.211 1.00 0.00 H new ATOM 0 HA TRP A 8 21.716 -4.329 -6.130 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.315 -4.357 -3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.180 -2.963 -4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.227 -6.153 -3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.654 -5.916 -3.629 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.571 -1.747 -5.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.112 -3.898 -4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.483 -0.657 -6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.294 -1.725 -6.061 1.00 0.00 H new ATOM 148 N LYS A 9 24.182 -3.751 -5.691 1.00 0.00 N ATOM 149 CA LYS A 9 25.628 -3.420 -5.467 1.00 0.00 C ATOM 150 C LYS A 9 25.844 -1.940 -5.010 1.00 0.00 C ATOM 151 O LYS A 9 25.165 -1.043 -5.520 1.00 0.00 O ATOM 152 CB LYS A 9 26.475 -3.789 -6.719 1.00 0.00 C ATOM 153 CG LYS A 9 26.360 -2.870 -7.961 1.00 0.00 C ATOM 154 CD LYS A 9 27.364 -3.245 -9.072 1.00 0.00 C ATOM 155 CE LYS A 9 27.247 -2.388 -10.346 1.00 0.00 C ATOM 156 NZ LYS A 9 27.804 -1.033 -10.146 1.00 0.00 N ATOM 0 H LYS A 9 23.811 -3.388 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 9 25.981 -4.033 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.522 -3.818 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.202 -4.800 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.346 -2.927 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.527 -1.836 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.376 -3.153 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.220 -4.292 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.772 -2.880 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.200 -2.312 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.708 -0.485 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.287 -0.554 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.810 -1.105 -9.891 1.00 0.00 H new ATOM 169 N MET A 10 26.803 -1.651 -4.104 1.00 0.00 N ATOM 170 CA MET A 10 27.051 -0.256 -3.628 1.00 0.00 C ATOM 171 C MET A 10 27.609 0.705 -4.735 1.00 0.00 C ATOM 172 O MET A 10 28.648 0.451 -5.352 1.00 0.00 O ATOM 173 CB MET A 10 27.969 -0.281 -2.376 1.00 0.00 C ATOM 174 CG MET A 10 28.151 1.098 -1.697 1.00 0.00 C ATOM 175 SD MET A 10 29.288 1.003 -0.306 1.00 0.00 S ATOM 176 CE MET A 10 28.117 0.771 1.035 1.00 0.00 C ATOM 0 H MET A 10 27.417 -2.351 -3.686 1.00 0.00 H new ATOM 0 HA MET A 10 26.081 0.162 -3.358 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.555 -0.980 -1.649 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.948 -0.664 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.525 1.817 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.184 1.466 -1.354 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.652 0.746 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.404 1.595 1.042 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.584 -0.169 0.894 1.00 0.00 H new ATOM 186 N LEU A 11 26.934 1.852 -4.904 1.00 0.00 N ATOM 187 CA LEU A 11 27.483 3.026 -5.637 1.00 0.00 C ATOM 188 C LEU A 11 28.336 3.962 -4.715 1.00 0.00 C ATOM 189 O LEU A 11 29.490 4.246 -5.044 1.00 0.00 O ATOM 190 CB LEU A 11 26.325 3.819 -6.315 1.00 0.00 C ATOM 191 CG LEU A 11 25.450 3.098 -7.374 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.331 4.046 -7.839 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.257 2.620 -8.594 1.00 0.00 C ATOM 0 H LEU A 11 25.993 2.002 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 11 28.158 2.648 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.663 4.176 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.760 4.699 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 11 25.034 2.210 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.714 3.543 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.714 4.327 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.772 4.941 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.591 2.124 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.725 3.477 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.028 1.921 -8.269 1.00 0.00 H new ATOM 205 N SER A 12 27.778 4.458 -3.588 1.00 0.00 N ATOM 206 CA SER A 12 28.477 5.404 -2.671 1.00 0.00 C ATOM 207 C SER A 12 28.218 5.087 -1.164 1.00 0.00 C ATOM 208 O SER A 12 27.137 4.618 -0.784 1.00 0.00 O ATOM 209 CB SER A 12 28.071 6.857 -3.030 1.00 0.00 C ATOM 210 OG SER A 12 26.687 7.114 -2.786 1.00 0.00 O ATOM 0 H SER A 12 26.834 4.219 -3.284 1.00 0.00 H new ATOM 0 HA SER A 12 29.551 5.285 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.675 7.554 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.292 7.044 -4.081 1.00 0.00 H new ATOM 0 HG SER A 12 26.479 8.041 -3.025 1.00 0.00 H new ATOM 216 N ASN A 13 29.208 5.400 -0.303 1.00 0.00 N ATOM 217 CA ASN A 13 29.006 5.489 1.171 1.00 0.00 C ATOM 218 C ASN A 13 29.460 6.895 1.688 1.00 0.00 C ATOM 219 O ASN A 13 30.648 7.230 1.665 1.00 0.00 O ATOM 220 CB ASN A 13 29.628 4.270 1.913 1.00 0.00 C ATOM 221 CG ASN A 13 31.154 4.121 1.969 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.815 4.636 2.865 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.758 3.385 1.068 1.00 0.00 N ATOM 0 H ASN A 13 30.164 5.598 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 13 27.944 5.418 1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.264 4.291 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.228 3.367 1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.767 3.246 1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.219 2.952 0.318 1.00 0.00 H new ATOM 230 N GLU A 14 28.502 7.730 2.123 1.00 0.00 N ATOM 231 CA GLU A 14 28.758 9.128 2.563 1.00 0.00 C ATOM 232 C GLU A 14 28.563 9.228 4.107 1.00 0.00 C ATOM 233 O GLU A 14 27.531 8.814 4.643 1.00 0.00 O ATOM 234 CB GLU A 14 27.783 10.038 1.767 1.00 0.00 C ATOM 235 CG GLU A 14 27.952 11.560 1.996 1.00 0.00 C ATOM 236 CD GLU A 14 26.905 12.395 1.263 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.766 12.580 1.681 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.374 12.911 0.094 1.00 0.00 O ATOM 0 H GLU A 14 27.520 7.461 2.183 1.00 0.00 H new ATOM 0 HA GLU A 14 29.780 9.448 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.908 9.832 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.761 9.761 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.893 11.770 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.946 11.863 1.666 1.00 0.00 H new ATOM 246 N ASN A 15 29.559 9.780 4.829 1.00 0.00 N ATOM 247 CA ASN A 15 29.545 9.867 6.330 1.00 0.00 C ATOM 248 C ASN A 15 29.575 8.500 7.126 1.00 0.00 C ATOM 249 O ASN A 15 29.223 8.454 8.309 1.00 0.00 O ATOM 250 CB ASN A 15 28.445 10.892 6.763 1.00 0.00 C ATOM 251 CG ASN A 15 28.634 11.538 8.135 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.659 12.145 8.422 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.665 11.462 9.015 1.00 0.00 N ATOM 0 H ASN A 15 30.397 10.180 4.406 1.00 0.00 H new ATOM 0 HA ASN A 15 30.516 10.251 6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.399 11.683 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.480 10.385 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.769 11.906 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.807 10.959 8.787 1.00 0.00 H new ATOM 260 N PHE A 16 30.073 7.402 6.513 1.00 0.00 N ATOM 261 CA PHE A 16 30.150 6.061 7.165 1.00 0.00 C ATOM 262 C PHE A 16 31.139 5.956 8.374 1.00 0.00 C ATOM 263 O PHE A 16 30.741 5.454 9.428 1.00 0.00 O ATOM 264 CB PHE A 16 30.371 4.985 6.058 1.00 0.00 C ATOM 265 CG PHE A 16 30.123 3.489 6.378 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.324 3.050 7.444 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.652 2.535 5.501 1.00 0.00 C ATOM 268 CE1 PHE A 16 29.082 1.694 7.641 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.397 1.178 5.688 1.00 0.00 C ATOM 270 CZ PHE A 16 29.617 0.759 6.761 1.00 0.00 C ATOM 0 H PHE A 16 30.432 7.413 5.558 1.00 0.00 H new ATOM 0 HA PHE A 16 29.197 5.875 7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.730 5.248 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.402 5.078 5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.892 3.773 8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.264 2.854 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.480 1.368 8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.805 0.452 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.427 -0.293 6.911 1.00 0.00 H new ATOM 280 N GLU A 17 32.377 6.483 8.266 1.00 0.00 N ATOM 281 CA GLU A 17 33.304 6.626 9.432 1.00 0.00 C ATOM 282 C GLU A 17 32.750 7.418 10.667 1.00 0.00 C ATOM 283 O GLU A 17 32.975 6.978 11.796 1.00 0.00 O ATOM 284 CB GLU A 17 34.666 7.225 8.986 1.00 0.00 C ATOM 285 CG GLU A 17 35.502 6.360 8.013 1.00 0.00 C ATOM 286 CD GLU A 17 36.935 6.852 7.839 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.310 7.568 6.916 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.757 6.409 8.832 1.00 0.00 O ATOM 0 H GLU A 17 32.767 6.820 7.386 1.00 0.00 H new ATOM 0 HA GLU A 17 33.427 5.604 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.479 8.189 8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.265 7.417 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.521 5.333 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.011 6.344 7.040 1.00 0.00 H new ATOM 296 N GLU A 18 32.027 8.543 10.478 1.00 0.00 N ATOM 297 CA GLU A 18 31.359 9.276 11.596 1.00 0.00 C ATOM 298 C GLU A 18 30.168 8.517 12.288 1.00 0.00 C ATOM 299 O GLU A 18 30.078 8.532 13.518 1.00 0.00 O ATOM 300 CB GLU A 18 30.964 10.678 11.067 1.00 0.00 C ATOM 301 CG GLU A 18 30.710 11.735 12.169 1.00 0.00 C ATOM 302 CD GLU A 18 30.319 13.105 11.622 1.00 0.00 C ATOM 303 OE1 GLU A 18 31.113 14.026 11.460 1.00 0.00 O ATOM 304 OE2 GLU A 18 28.990 13.196 11.337 1.00 0.00 O ATOM 0 H GLU A 18 31.886 8.971 9.563 1.00 0.00 H new ATOM 0 HA GLU A 18 32.072 9.362 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.755 11.040 10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.064 10.582 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.920 11.377 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.609 11.838 12.776 1.00 0.00 H new ATOM 312 N TYR A 19 29.292 7.832 11.522 1.00 0.00 N ATOM 313 CA TYR A 19 28.350 6.795 12.053 1.00 0.00 C ATOM 314 C TYR A 19 29.027 5.646 12.878 1.00 0.00 C ATOM 315 O TYR A 19 28.595 5.355 13.994 1.00 0.00 O ATOM 316 CB TYR A 19 27.524 6.286 10.830 1.00 0.00 C ATOM 317 CG TYR A 19 26.674 5.010 11.018 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.412 5.059 11.617 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.201 3.770 10.639 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.694 3.883 11.830 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.478 2.599 10.846 1.00 0.00 C ATOM 322 CZ TYR A 19 25.222 2.658 11.440 1.00 0.00 C ATOM 323 OH TYR A 19 24.511 1.506 11.644 1.00 0.00 O ATOM 0 H TYR A 19 29.210 7.975 10.515 1.00 0.00 H new ATOM 0 HA TYR A 19 27.699 7.244 12.803 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.857 7.090 10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.217 6.109 10.008 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.993 6.009 11.915 1.00 0.00 H new ATOM 0 HD2 TYR A 19 28.178 3.721 10.182 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.723 3.924 12.300 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.891 1.647 10.546 1.00 0.00 H new ATOM 0 HH TYR A 19 25.025 0.741 11.312 1.00 0.00 H new ATOM 333 N LEU A 20 30.070 5.001 12.332 1.00 0.00 N ATOM 334 CA LEU A 20 30.861 3.969 13.056 1.00 0.00 C ATOM 335 C LEU A 20 31.626 4.499 14.323 1.00 0.00 C ATOM 336 O LEU A 20 31.561 3.866 15.379 1.00 0.00 O ATOM 337 CB LEU A 20 31.796 3.289 12.018 1.00 0.00 C ATOM 338 CG LEU A 20 31.160 2.480 10.852 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.226 2.088 9.816 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.430 1.217 11.324 1.00 0.00 C ATOM 0 H LEU A 20 30.395 5.173 11.381 1.00 0.00 H new ATOM 0 HA LEU A 20 30.175 3.239 13.485 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.421 4.066 11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.460 2.617 12.562 1.00 0.00 H new ATOM 0 HG LEU A 20 30.420 3.140 10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.759 1.523 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.686 2.988 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.990 1.474 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.009 0.697 10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.133 0.560 11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.628 1.494 12.009 1.00 0.00 H new ATOM 352 N ARG A 21 32.270 5.683 14.265 1.00 0.00 N ATOM 353 CA ARG A 21 32.683 6.467 15.472 1.00 0.00 C ATOM 354 C ARG A 21 31.558 6.695 16.551 1.00 0.00 C ATOM 355 O ARG A 21 31.786 6.392 17.725 1.00 0.00 O ATOM 356 CB ARG A 21 33.269 7.796 14.929 1.00 0.00 C ATOM 357 CG ARG A 21 33.847 8.783 15.979 1.00 0.00 C ATOM 358 CD ARG A 21 33.750 10.264 15.559 1.00 0.00 C ATOM 359 NE ARG A 21 32.329 10.723 15.504 1.00 0.00 N ATOM 360 CZ ARG A 21 31.664 11.324 16.488 1.00 0.00 C ATOM 361 NH1 ARG A 21 32.200 11.708 17.625 1.00 0.00 N ATOM 362 NH2 ARG A 21 30.390 11.542 16.308 1.00 0.00 N ATOM 0 H ARG A 21 32.523 6.132 13.385 1.00 0.00 H new ATOM 0 HA ARG A 21 33.417 5.893 16.038 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.059 7.554 14.218 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.486 8.311 14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.318 8.647 16.922 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.892 8.534 16.161 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.306 10.881 16.265 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.215 10.398 14.582 1.00 0.00 H new ATOM 0 HE ARG A 21 31.823 10.561 14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.192 11.550 17.800 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.623 12.164 18.332 1.00 0.00 H new ATOM 0 HH21 ARG A 21 29.941 11.254 15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.843 12.000 17.037 1.00 0.00 H new ATOM 376 N ALA A 22 30.352 7.161 16.163 1.00 0.00 N ATOM 377 CA ALA A 22 29.153 7.162 17.049 1.00 0.00 C ATOM 378 C ALA A 22 28.675 5.786 17.631 1.00 0.00 C ATOM 379 O ALA A 22 28.056 5.771 18.697 1.00 0.00 O ATOM 380 CB ALA A 22 28.016 7.849 16.267 1.00 0.00 C ATOM 0 H ALA A 22 30.175 7.546 15.235 1.00 0.00 H new ATOM 0 HA ALA A 22 29.447 7.696 17.952 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.115 7.872 16.880 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.311 8.868 16.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.817 7.293 15.351 1.00 0.00 H new ATOM 386 N LEU A 23 28.985 4.643 16.988 1.00 0.00 N ATOM 387 CA LEU A 23 28.835 3.297 17.613 1.00 0.00 C ATOM 388 C LEU A 23 30.023 2.820 18.526 1.00 0.00 C ATOM 389 O LEU A 23 29.966 1.708 19.054 1.00 0.00 O ATOM 390 CB LEU A 23 28.578 2.285 16.462 1.00 0.00 C ATOM 391 CG LEU A 23 27.245 2.423 15.678 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.263 1.531 14.430 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.031 2.060 16.547 1.00 0.00 C ATOM 0 H LEU A 23 29.342 4.616 16.033 1.00 0.00 H new ATOM 0 HA LEU A 23 28.001 3.360 18.312 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.399 2.369 15.750 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.621 1.280 16.881 1.00 0.00 H new ATOM 0 HG LEU A 23 27.153 3.468 15.382 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.321 1.639 13.892 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.088 1.828 13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.393 0.491 14.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.118 2.170 15.961 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.122 1.028 16.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.990 2.724 17.410 1.00 0.00 H new ATOM 405 N ASP A 24 31.082 3.632 18.730 1.00 0.00 N ATOM 406 CA ASP A 24 32.366 3.213 19.372 1.00 0.00 C ATOM 407 C ASP A 24 33.178 2.128 18.577 1.00 0.00 C ATOM 408 O ASP A 24 33.683 1.157 19.149 1.00 0.00 O ATOM 409 CB ASP A 24 32.194 2.914 20.893 1.00 0.00 C ATOM 410 CG ASP A 24 31.870 4.123 21.771 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.743 4.381 22.184 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.981 4.869 22.048 1.00 0.00 O ATOM 0 H ASP A 24 31.078 4.614 18.453 1.00 0.00 H new ATOM 0 HA ASP A 24 33.020 4.083 19.314 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.400 2.177 21.013 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.112 2.456 21.261 1.00 0.00 H new ATOM 418 N VAL A 25 33.365 2.343 17.261 1.00 0.00 N ATOM 419 CA VAL A 25 34.202 1.454 16.395 1.00 0.00 C ATOM 420 C VAL A 25 35.643 2.062 16.261 1.00 0.00 C ATOM 421 O VAL A 25 35.837 3.277 16.136 1.00 0.00 O ATOM 422 CB VAL A 25 33.484 1.233 15.018 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.279 0.390 13.998 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.093 0.560 15.133 1.00 0.00 C ATOM 0 H VAL A 25 32.949 3.128 16.760 1.00 0.00 H new ATOM 0 HA VAL A 25 34.318 0.469 16.846 1.00 0.00 H new ATOM 0 HB VAL A 25 33.392 2.259 14.662 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.702 0.292 13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.228 0.881 13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.470 -0.599 14.414 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.662 0.442 14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.200 -0.419 15.600 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.437 1.183 15.741 1.00 0.00 H new ATOM 434 N ASN A 26 36.666 1.191 16.246 1.00 0.00 N ATOM 435 CA ASN A 26 38.087 1.581 16.044 1.00 0.00 C ATOM 436 C ASN A 26 38.447 2.080 14.600 1.00 0.00 C ATOM 437 O ASN A 26 37.815 1.698 13.608 1.00 0.00 O ATOM 438 CB ASN A 26 38.949 0.367 16.502 1.00 0.00 C ATOM 439 CG ASN A 26 38.707 -0.979 15.791 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.751 -1.696 16.063 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.533 -1.346 14.851 1.00 0.00 N ATOM 0 H ASN A 26 36.538 0.187 16.374 1.00 0.00 H new ATOM 0 HA ASN A 26 38.298 2.466 16.644 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.999 0.632 16.375 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.784 0.219 17.569 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.380 -2.222 14.351 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.332 -0.757 14.616 1.00 0.00 H new ATOM 448 N VAL A 27 39.506 2.909 14.490 1.00 0.00 N ATOM 449 CA VAL A 27 39.945 3.544 13.198 1.00 0.00 C ATOM 450 C VAL A 27 40.236 2.542 12.017 1.00 0.00 C ATOM 451 O VAL A 27 39.835 2.820 10.884 1.00 0.00 O ATOM 452 CB VAL A 27 41.116 4.567 13.449 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.598 5.301 12.170 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.774 5.686 14.466 1.00 0.00 C ATOM 0 H VAL A 27 40.090 3.166 15.285 1.00 0.00 H new ATOM 0 HA VAL A 27 39.080 4.099 12.833 1.00 0.00 H new ATOM 0 HB VAL A 27 41.897 3.915 13.841 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.405 5.987 12.427 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.959 4.571 11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.769 5.861 11.738 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.633 6.347 14.582 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.921 6.259 14.103 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.528 5.239 15.429 1.00 0.00 H new ATOM 464 N ALA A 28 40.889 1.388 12.264 1.00 0.00 N ATOM 465 CA ALA A 28 41.086 0.332 11.231 1.00 0.00 C ATOM 466 C ALA A 28 39.783 -0.316 10.651 1.00 0.00 C ATOM 467 O ALA A 28 39.631 -0.351 9.429 1.00 0.00 O ATOM 468 CB ALA A 28 42.069 -0.706 11.804 1.00 0.00 C ATOM 0 H ALA A 28 41.293 1.157 13.172 1.00 0.00 H new ATOM 0 HA ALA A 28 41.501 0.815 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.234 -1.494 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.017 -0.220 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.652 -1.139 12.713 1.00 0.00 H new ATOM 474 N LEU A 29 38.827 -0.766 11.492 1.00 0.00 N ATOM 475 CA LEU A 29 37.469 -1.196 11.028 1.00 0.00 C ATOM 476 C LEU A 29 36.627 -0.059 10.342 1.00 0.00 C ATOM 477 O LEU A 29 36.068 -0.294 9.267 1.00 0.00 O ATOM 478 CB LEU A 29 36.753 -1.894 12.225 1.00 0.00 C ATOM 479 CG LEU A 29 35.612 -2.918 11.959 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.385 -2.368 11.212 1.00 0.00 C ATOM 481 CD2 LEU A 29 36.116 -4.189 11.255 1.00 0.00 C ATOM 0 H LEU A 29 38.961 -0.845 12.500 1.00 0.00 H new ATOM 0 HA LEU A 29 37.581 -1.911 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.519 -2.406 12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.342 -1.109 12.860 1.00 0.00 H new ATOM 0 HG LEU A 29 35.269 -3.164 12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.652 -3.164 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 29 33.940 -1.558 11.790 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.692 -1.992 10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 29 35.281 -4.870 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.558 -3.922 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.866 -4.676 11.877 1.00 0.00 H new ATOM 493 N ARG A 30 36.604 1.176 10.894 1.00 0.00 N ATOM 494 CA ARG A 30 36.169 2.407 10.158 1.00 0.00 C ATOM 495 C ARG A 30 36.754 2.594 8.715 1.00 0.00 C ATOM 496 O ARG A 30 35.976 2.740 7.768 1.00 0.00 O ATOM 497 CB ARG A 30 36.459 3.644 11.060 1.00 0.00 C ATOM 498 CG ARG A 30 35.434 3.913 12.190 1.00 0.00 C ATOM 499 CD ARG A 30 35.926 4.799 13.348 1.00 0.00 C ATOM 500 NE ARG A 30 36.279 6.176 12.918 1.00 0.00 N ATOM 501 CZ ARG A 30 36.843 7.094 13.699 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.153 6.903 14.964 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.102 8.260 13.177 1.00 0.00 N ATOM 0 H ARG A 30 36.884 1.357 11.858 1.00 0.00 H new ATOM 0 HA ARG A 30 35.102 2.292 9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.443 3.518 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.511 4.528 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.552 4.380 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.116 2.955 12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.151 4.851 14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.798 4.334 13.809 1.00 0.00 H new ATOM 0 HE ARG A 30 36.074 6.437 11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 30 36.962 6.004 15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.584 7.654 15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 30 36.873 8.444 12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.534 8.989 13.745 1.00 0.00 H new ATOM 517 N LYS A 31 38.089 2.549 8.537 1.00 0.00 N ATOM 518 CA LYS A 31 38.735 2.578 7.192 1.00 0.00 C ATOM 519 C LYS A 31 38.448 1.341 6.277 1.00 0.00 C ATOM 520 O LYS A 31 38.058 1.529 5.124 1.00 0.00 O ATOM 521 CB LYS A 31 40.259 2.878 7.361 1.00 0.00 C ATOM 522 CG LYS A 31 40.811 4.018 6.472 1.00 0.00 C ATOM 523 CD LYS A 31 40.293 5.406 6.903 1.00 0.00 C ATOM 524 CE LYS A 31 40.943 6.568 6.146 1.00 0.00 C ATOM 525 NZ LYS A 31 40.333 7.840 6.584 1.00 0.00 N ATOM 0 H LYS A 31 38.753 2.492 9.309 1.00 0.00 H new ATOM 0 HA LYS A 31 38.264 3.388 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.450 3.129 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.818 1.968 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.900 4.011 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.530 3.835 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.214 5.444 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.471 5.535 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 31 42.017 6.583 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.808 6.438 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.521 8.577 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.306 7.714 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 40.742 8.125 7.497 1.00 0.00 H new ATOM 538 N ILE A 32 38.578 0.094 6.775 1.00 0.00 N ATOM 539 CA ILE A 32 38.193 -1.150 6.025 1.00 0.00 C ATOM 540 C ILE A 32 36.700 -1.144 5.523 1.00 0.00 C ATOM 541 O ILE A 32 36.467 -1.387 4.337 1.00 0.00 O ATOM 542 CB ILE A 32 38.608 -2.423 6.860 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.151 -2.550 7.072 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.099 -3.760 6.256 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.580 -3.449 8.247 1.00 0.00 C ATOM 0 H ILE A 32 38.951 -0.094 7.706 1.00 0.00 H new ATOM 0 HA ILE A 32 38.756 -1.183 5.092 1.00 0.00 H new ATOM 0 HB ILE A 32 38.121 -2.257 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.597 -2.939 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.563 -1.553 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.423 -4.590 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.010 -3.746 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.506 -3.884 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.668 -3.471 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.171 -3.053 9.176 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.205 -4.460 8.087 1.00 0.00 H new ATOM 557 N ALA A 33 35.709 -0.838 6.382 1.00 0.00 N ATOM 558 CA ALA A 33 34.294 -0.672 5.954 1.00 0.00 C ATOM 559 C ALA A 33 33.967 0.526 5.002 1.00 0.00 C ATOM 560 O ALA A 33 33.228 0.336 4.032 1.00 0.00 O ATOM 561 CB ALA A 33 33.455 -0.657 7.246 1.00 0.00 C ATOM 0 H ALA A 33 35.857 -0.699 7.382 1.00 0.00 H new ATOM 0 HA ALA A 33 34.045 -1.509 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.401 -0.537 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.595 -1.596 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.774 0.172 7.877 1.00 0.00 H new ATOM 567 N ASN A 34 34.532 1.725 5.231 1.00 0.00 N ATOM 568 CA ASN A 34 34.489 2.851 4.249 1.00 0.00 C ATOM 569 C ASN A 34 35.132 2.580 2.847 1.00 0.00 C ATOM 570 O ASN A 34 34.577 3.019 1.835 1.00 0.00 O ATOM 571 CB ASN A 34 35.083 4.083 4.990 1.00 0.00 C ATOM 572 CG ASN A 34 35.268 5.412 4.243 1.00 0.00 C ATOM 573 OD1 ASN A 34 36.354 5.979 4.216 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.252 5.985 3.648 1.00 0.00 N ATOM 0 H ASN A 34 35.030 1.951 6.092 1.00 0.00 H new ATOM 0 HA ASN A 34 33.455 3.020 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.446 4.281 5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 34 36.059 3.790 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.376 6.881 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.337 5.535 3.655 1.00 0.00 H new ATOM 581 N LEU A 35 36.274 1.880 2.786 1.00 0.00 N ATOM 582 CA LEU A 35 36.956 1.554 1.499 1.00 0.00 C ATOM 583 C LEU A 35 36.420 0.298 0.727 1.00 0.00 C ATOM 584 O LEU A 35 36.704 0.170 -0.467 1.00 0.00 O ATOM 585 CB LEU A 35 38.490 1.480 1.757 1.00 0.00 C ATOM 586 CG LEU A 35 39.198 2.766 2.283 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.697 2.498 2.497 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.012 3.995 1.374 1.00 0.00 C ATOM 0 H LEU A 35 36.756 1.522 3.610 1.00 0.00 H new ATOM 0 HA LEU A 35 36.716 2.364 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.671 0.680 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.973 1.188 0.825 1.00 0.00 H new ATOM 0 HG LEU A 35 38.717 3.007 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.180 3.404 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.823 1.698 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.152 2.202 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.533 4.849 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.421 3.782 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 37.950 4.224 1.285 1.00 0.00 H new ATOM 600 N LEU A 36 35.641 -0.602 1.359 1.00 0.00 N ATOM 601 CA LEU A 36 34.953 -1.719 0.652 1.00 0.00 C ATOM 602 C LEU A 36 33.574 -1.285 0.055 1.00 0.00 C ATOM 603 O LEU A 36 32.841 -0.471 0.627 1.00 0.00 O ATOM 604 CB LEU A 36 34.780 -2.919 1.632 1.00 0.00 C ATOM 605 CG LEU A 36 36.057 -3.733 1.975 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.776 -4.695 3.140 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.592 -4.542 0.778 1.00 0.00 C ATOM 0 H LEU A 36 35.467 -0.583 2.364 1.00 0.00 H new ATOM 0 HA LEU A 36 35.574 -2.020 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.359 -2.539 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.046 -3.603 1.206 1.00 0.00 H new ATOM 0 HG LEU A 36 36.820 -3.006 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.679 -5.260 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.470 -4.125 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.979 -5.384 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.485 -5.090 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.830 -5.246 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.841 -3.863 -0.038 1.00 0.00 H new ATOM 619 N LYS A 37 33.199 -1.898 -1.083 1.00 0.00 N ATOM 620 CA LYS A 37 31.853 -1.722 -1.697 1.00 0.00 C ATOM 621 C LYS A 37 30.987 -3.011 -1.442 1.00 0.00 C ATOM 622 O LYS A 37 30.992 -3.898 -2.305 1.00 0.00 O ATOM 623 CB LYS A 37 32.015 -1.379 -3.211 1.00 0.00 C ATOM 624 CG LYS A 37 32.705 -0.041 -3.574 1.00 0.00 C ATOM 625 CD LYS A 37 31.875 1.220 -3.258 1.00 0.00 C ATOM 626 CE LYS A 37 32.650 2.501 -3.600 1.00 0.00 C ATOM 627 NZ LYS A 37 31.826 3.688 -3.312 1.00 0.00 N ATOM 0 H LYS A 37 33.809 -2.526 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 37 31.322 -0.888 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.579 -2.186 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.023 -1.379 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.652 0.021 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.941 -0.047 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.943 1.195 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.607 1.226 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.573 2.541 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.933 2.493 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.413 4.544 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.046 3.744 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.437 3.616 -2.350 1.00 0.00 H new ATOM 640 N PRO A 38 30.228 -3.187 -0.313 1.00 0.00 N ATOM 641 CA PRO A 38 29.409 -4.411 -0.080 1.00 0.00 C ATOM 642 C PRO A 38 28.157 -4.567 -1.004 1.00 0.00 C ATOM 643 O PRO A 38 27.849 -3.741 -1.873 1.00 0.00 O ATOM 644 CB PRO A 38 29.100 -4.302 1.431 1.00 0.00 C ATOM 645 CG PRO A 38 29.140 -2.809 1.748 1.00 0.00 C ATOM 646 CD PRO A 38 30.270 -2.292 0.862 1.00 0.00 C ATOM 0 HA PRO A 38 29.932 -5.329 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.123 -4.727 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 38 29.834 -4.849 2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.192 -2.323 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.341 -2.627 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.113 -1.251 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.233 -2.343 1.370 1.00 0.00 H new ATOM 654 N ASP A 39 27.474 -5.712 -0.881 1.00 0.00 N ATOM 655 CA ASP A 39 26.303 -6.058 -1.734 1.00 0.00 C ATOM 656 C ASP A 39 25.100 -6.524 -0.860 1.00 0.00 C ATOM 657 O ASP A 39 25.257 -7.321 0.067 1.00 0.00 O ATOM 658 CB ASP A 39 26.711 -7.151 -2.756 1.00 0.00 C ATOM 659 CG ASP A 39 27.771 -6.865 -3.833 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.185 -7.752 -4.576 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.174 -5.558 -3.900 1.00 0.00 O ATOM 0 H ASP A 39 27.707 -6.429 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 39 25.984 -5.170 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.060 -8.011 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.803 -7.460 -3.274 1.00 0.00 H new ATOM 667 N LYS A 40 23.889 -6.046 -1.177 1.00 0.00 N ATOM 668 CA LYS A 40 22.642 -6.492 -0.500 1.00 0.00 C ATOM 669 C LYS A 40 21.865 -7.472 -1.425 1.00 0.00 C ATOM 670 O LYS A 40 21.326 -7.069 -2.457 1.00 0.00 O ATOM 671 CB LYS A 40 21.802 -5.260 -0.064 1.00 0.00 C ATOM 672 CG LYS A 40 22.290 -4.635 1.261 1.00 0.00 C ATOM 673 CD LYS A 40 21.477 -3.397 1.694 1.00 0.00 C ATOM 674 CE LYS A 40 21.749 -2.950 3.142 1.00 0.00 C ATOM 675 NZ LYS A 40 23.118 -2.423 3.313 1.00 0.00 N ATOM 0 H LYS A 40 23.736 -5.345 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 40 22.881 -7.040 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 40 21.838 -4.506 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 40 20.759 -5.558 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.239 -5.387 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.338 -4.353 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.704 -2.571 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.415 -3.615 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.028 -2.183 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.599 -3.794 3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.100 -1.614 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 23.731 -3.168 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.489 -2.115 2.392 1.00 0.00 H new ATOM 688 N GLU A 41 21.786 -8.758 -1.048 1.00 0.00 N ATOM 689 CA GLU A 41 20.846 -9.724 -1.682 1.00 0.00 C ATOM 690 C GLU A 41 19.563 -9.822 -0.801 1.00 0.00 C ATOM 691 O GLU A 41 19.561 -10.470 0.251 1.00 0.00 O ATOM 692 CB GLU A 41 21.573 -11.070 -1.928 1.00 0.00 C ATOM 693 CG GLU A 41 20.761 -12.086 -2.773 1.00 0.00 C ATOM 694 CD GLU A 41 21.468 -13.432 -2.953 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.604 -13.545 -3.405 1.00 0.00 O ATOM 696 OE2 GLU A 41 20.690 -14.484 -2.563 1.00 0.00 O ATOM 0 H GLU A 41 22.358 -9.163 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 41 20.518 -9.389 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.520 -10.872 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.811 -11.523 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.795 -12.253 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.563 -11.654 -3.754 1.00 0.00 H new ATOM 704 N ILE A 42 18.479 -9.144 -1.210 1.00 0.00 N ATOM 705 CA ILE A 42 17.239 -9.048 -0.385 1.00 0.00 C ATOM 706 C ILE A 42 16.261 -10.184 -0.827 1.00 0.00 C ATOM 707 O ILE A 42 15.813 -10.229 -1.978 1.00 0.00 O ATOM 708 CB ILE A 42 16.605 -7.610 -0.385 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.610 -6.504 0.061 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.346 -7.577 0.530 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.135 -5.051 -0.096 1.00 0.00 C ATOM 0 H ILE A 42 18.425 -8.652 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 42 17.488 -9.204 0.665 1.00 0.00 H new ATOM 0 HB ILE A 42 16.323 -7.392 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.860 -6.671 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.530 -6.627 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.916 -6.575 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.610 -8.291 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.630 -7.841 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.917 -4.373 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 42 16.915 -4.851 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.235 -4.896 0.499 1.00 0.00 H new ATOM 723 N VAL A 43 15.923 -11.078 0.116 1.00 0.00 N ATOM 724 CA VAL A 43 14.958 -12.192 -0.116 1.00 0.00 C ATOM 725 C VAL A 43 13.666 -11.856 0.702 1.00 0.00 C ATOM 726 O VAL A 43 13.586 -12.142 1.900 1.00 0.00 O ATOM 727 CB VAL A 43 15.613 -13.575 0.243 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.653 -14.770 0.040 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.903 -13.893 -0.556 1.00 0.00 C ATOM 0 H VAL A 43 16.304 -11.059 1.062 1.00 0.00 H new ATOM 0 HA VAL A 43 14.682 -12.286 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 43 15.861 -13.457 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.164 -15.696 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.776 -14.645 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.341 -14.813 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.291 -14.864 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.675 -13.914 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.651 -13.125 -0.360 1.00 0.00 H new ATOM 739 N GLN A 44 12.666 -11.237 0.048 1.00 0.00 N ATOM 740 CA GLN A 44 11.362 -10.875 0.678 1.00 0.00 C ATOM 741 C GLN A 44 10.271 -11.935 0.316 1.00 0.00 C ATOM 742 O GLN A 44 9.936 -12.112 -0.860 1.00 0.00 O ATOM 743 CB GLN A 44 11.039 -9.427 0.209 1.00 0.00 C ATOM 744 CG GLN A 44 9.758 -8.751 0.774 1.00 0.00 C ATOM 745 CD GLN A 44 8.400 -9.233 0.240 1.00 0.00 C ATOM 746 OE1 GLN A 44 7.577 -9.781 0.967 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.111 -9.047 -1.027 1.00 0.00 N ATOM 0 H GLN A 44 12.730 -10.969 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 44 11.398 -10.887 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.890 -8.795 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.961 -9.437 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.759 -8.883 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.832 -7.680 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.786 -8.593 -1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.212 -9.357 -1.396 1.00 0.00 H new ATOM 756 N ASP A 45 9.705 -12.628 1.320 1.00 0.00 N ATOM 757 CA ASP A 45 8.683 -13.691 1.101 1.00 0.00 C ATOM 758 C ASP A 45 7.461 -13.536 2.073 1.00 0.00 C ATOM 759 O ASP A 45 7.215 -14.421 2.901 1.00 0.00 O ATOM 760 CB ASP A 45 9.446 -15.047 1.218 1.00 0.00 C ATOM 761 CG ASP A 45 8.679 -16.296 0.782 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.981 -16.961 -0.205 1.00 0.00 O ATOM 763 OD2 ASP A 45 7.642 -16.591 1.622 1.00 0.00 O ATOM 0 H ASP A 45 9.934 -12.476 2.302 1.00 0.00 H new ATOM 0 HA ASP A 45 8.220 -13.624 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.357 -14.980 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.753 -15.179 2.256 1.00 0.00 H new ATOM 769 N GLY A 46 6.661 -12.458 1.937 1.00 0.00 N ATOM 770 CA GLY A 46 5.410 -12.277 2.731 1.00 0.00 C ATOM 771 C GLY A 46 5.619 -11.939 4.221 1.00 0.00 C ATOM 772 O GLY A 46 5.604 -12.843 5.056 1.00 0.00 O ATOM 0 H GLY A 46 6.852 -11.695 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.821 -11.482 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.820 -13.191 2.662 1.00 0.00 H new ATOM 776 N ASP A 47 5.881 -10.660 4.541 1.00 0.00 N ATOM 777 CA ASP A 47 6.362 -10.214 5.892 1.00 0.00 C ATOM 778 C ASP A 47 7.786 -10.690 6.359 1.00 0.00 C ATOM 779 O ASP A 47 8.534 -9.900 6.933 1.00 0.00 O ATOM 780 CB ASP A 47 5.264 -10.204 6.998 1.00 0.00 C ATOM 781 CG ASP A 47 5.058 -11.474 7.825 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.131 -12.262 7.667 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.018 -11.605 8.781 1.00 0.00 O ATOM 0 H ASP A 47 5.770 -9.892 3.879 1.00 0.00 H new ATOM 0 HA ASP A 47 6.573 -9.162 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.494 -9.392 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.314 -9.959 6.522 1.00 0.00 H new ATOM 789 N HIS A 48 8.167 -11.955 6.123 1.00 0.00 N ATOM 790 CA HIS A 48 9.559 -12.441 6.293 1.00 0.00 C ATOM 791 C HIS A 48 10.508 -11.862 5.196 1.00 0.00 C ATOM 792 O HIS A 48 10.297 -12.064 3.997 1.00 0.00 O ATOM 793 CB HIS A 48 9.533 -13.994 6.333 1.00 0.00 C ATOM 794 CG HIS A 48 10.885 -14.681 6.566 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.348 -15.716 5.765 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.857 -14.328 7.525 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.587 -15.893 6.326 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.978 -15.118 7.383 1.00 0.00 N ATOM 0 H HIS A 48 7.521 -12.678 5.807 1.00 0.00 H new ATOM 0 HA HIS A 48 9.972 -12.082 7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.848 -14.306 7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.121 -14.356 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.740 -13.550 8.265 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.255 -16.645 5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.849 -15.123 7.914 1.00 0.00 H new ATOM 806 N MET A 49 11.547 -11.134 5.629 1.00 0.00 N ATOM 807 CA MET A 49 12.536 -10.516 4.716 1.00 0.00 C ATOM 808 C MET A 49 13.979 -10.712 5.262 1.00 0.00 C ATOM 809 O MET A 49 14.301 -10.349 6.399 1.00 0.00 O ATOM 810 CB MET A 49 12.104 -9.052 4.453 1.00 0.00 C ATOM 811 CG MET A 49 12.990 -8.245 3.478 1.00 0.00 C ATOM 812 SD MET A 49 12.078 -6.914 2.649 1.00 0.00 S ATOM 813 CE MET A 49 11.260 -6.046 4.001 1.00 0.00 C ATOM 0 H MET A 49 11.731 -10.954 6.616 1.00 0.00 H new ATOM 0 HA MET A 49 12.559 -11.006 3.743 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.086 -9.060 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.077 -8.526 5.407 1.00 0.00 H new ATOM 0 HG2 MET A 49 13.831 -7.819 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.405 -8.918 2.728 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.841 -5.110 3.632 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.460 -6.669 4.402 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.984 -5.834 4.788 1.00 0.00 H new ATOM 823 N ILE A 50 14.849 -11.291 4.416 1.00 0.00 N ATOM 824 CA ILE A 50 16.295 -11.455 4.727 1.00 0.00 C ATOM 825 C ILE A 50 17.057 -10.380 3.891 1.00 0.00 C ATOM 826 O ILE A 50 17.210 -10.534 2.674 1.00 0.00 O ATOM 827 CB ILE A 50 16.841 -12.910 4.472 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.958 -14.056 5.052 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.287 -13.034 5.027 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.336 -15.482 4.608 1.00 0.00 C ATOM 0 H ILE A 50 14.581 -11.658 3.503 1.00 0.00 H new ATOM 0 HA ILE A 50 16.456 -11.308 5.795 1.00 0.00 H new ATOM 0 HB ILE A 50 16.820 -13.042 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.004 -14.010 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.922 -13.870 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.660 -14.042 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.933 -12.314 4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.284 -12.833 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.658 -16.199 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.260 -15.558 3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.359 -15.700 4.916 1.00 0.00 H new ATOM 842 N ILE A 51 17.578 -9.324 4.541 1.00 0.00 N ATOM 843 CA ILE A 51 18.536 -8.377 3.890 1.00 0.00 C ATOM 844 C ILE A 51 19.965 -8.987 4.078 1.00 0.00 C ATOM 845 O ILE A 51 20.574 -8.866 5.149 1.00 0.00 O ATOM 846 CB ILE A 51 18.374 -6.902 4.418 1.00 0.00 C ATOM 847 CG1 ILE A 51 16.959 -6.301 4.154 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.454 -5.948 3.837 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.641 -5.001 4.917 1.00 0.00 C ATOM 0 H ILE A 51 17.361 -9.095 5.511 1.00 0.00 H new ATOM 0 HA ILE A 51 18.333 -8.274 2.824 1.00 0.00 H new ATOM 0 HB ILE A 51 18.508 -6.979 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.858 -6.109 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.210 -7.049 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.301 -4.943 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.444 -6.302 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.375 -5.928 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.635 -4.667 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.703 -5.184 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.360 -4.231 4.639 1.00 0.00 H new ATOM 861 N ARG A 52 20.497 -9.655 3.038 1.00 0.00 N ATOM 862 CA ARG A 52 21.838 -10.297 3.105 1.00 0.00 C ATOM 863 C ARG A 52 22.942 -9.252 2.770 1.00 0.00 C ATOM 864 O ARG A 52 23.273 -9.045 1.599 1.00 0.00 O ATOM 865 CB ARG A 52 21.903 -11.533 2.168 1.00 0.00 C ATOM 866 CG ARG A 52 20.924 -12.682 2.493 1.00 0.00 C ATOM 867 CD ARG A 52 21.042 -13.862 1.518 1.00 0.00 C ATOM 868 NE ARG A 52 20.136 -14.939 1.981 1.00 0.00 N ATOM 869 CZ ARG A 52 19.791 -16.011 1.274 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.215 -16.268 0.055 1.00 0.00 N ATOM 871 NH2 ARG A 52 18.978 -16.867 1.829 1.00 0.00 N ATOM 0 H ARG A 52 20.026 -9.768 2.140 1.00 0.00 H new ATOM 0 HA ARG A 52 22.014 -10.657 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.715 -11.200 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.918 -11.929 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.110 -13.035 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.903 -12.300 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 52 20.775 -13.549 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.070 -14.221 1.479 1.00 0.00 H new ATOM 0 HE ARG A 52 19.745 -14.851 2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.853 -15.622 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.906 -17.113 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.630 -16.701 2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.690 -17.702 1.318 1.00 0.00 H new ATOM 885 N THR A 53 23.502 -8.598 3.802 1.00 0.00 N ATOM 886 CA THR A 53 24.534 -7.536 3.629 1.00 0.00 C ATOM 887 C THR A 53 25.936 -8.222 3.588 1.00 0.00 C ATOM 888 O THR A 53 26.482 -8.669 4.605 1.00 0.00 O ATOM 889 CB THR A 53 24.356 -6.445 4.727 1.00 0.00 C ATOM 890 OG1 THR A 53 23.089 -5.815 4.585 1.00 0.00 O ATOM 891 CG2 THR A 53 25.384 -5.303 4.682 1.00 0.00 C ATOM 0 H THR A 53 23.261 -8.781 4.776 1.00 0.00 H new ATOM 0 HA THR A 53 24.425 -7.000 2.686 1.00 0.00 H new ATOM 0 HB THR A 53 24.477 -6.990 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.984 -5.132 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.177 -4.595 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.387 -5.711 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.318 -4.792 3.721 1.00 0.00 H new ATOM 899 N LEU A 54 26.460 -8.342 2.362 1.00 0.00 N ATOM 900 CA LEU A 54 27.592 -9.237 2.023 1.00 0.00 C ATOM 901 C LEU A 54 28.878 -8.385 1.810 1.00 0.00 C ATOM 902 O LEU A 54 28.913 -7.490 0.957 1.00 0.00 O ATOM 903 CB LEU A 54 27.210 -10.026 0.735 1.00 0.00 C ATOM 904 CG LEU A 54 26.023 -11.028 0.850 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.374 -11.258 -0.527 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.456 -12.368 1.466 1.00 0.00 C ATOM 0 H LEU A 54 26.110 -7.816 1.561 1.00 0.00 H new ATOM 0 HA LEU A 54 27.793 -9.943 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 26.971 -9.305 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.089 -10.578 0.402 1.00 0.00 H new ATOM 0 HG LEU A 54 25.288 -10.582 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.547 -11.961 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.000 -10.311 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.115 -11.666 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.596 -13.035 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.225 -12.823 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.854 -12.197 2.466 1.00 0.00 H new ATOM 918 N SER A 55 29.925 -8.661 2.600 1.00 0.00 N ATOM 919 CA SER A 55 31.209 -7.915 2.546 1.00 0.00 C ATOM 920 C SER A 55 32.413 -8.902 2.513 1.00 0.00 C ATOM 921 O SER A 55 32.420 -9.934 3.192 1.00 0.00 O ATOM 922 CB SER A 55 31.272 -6.973 3.772 1.00 0.00 C ATOM 923 OG SER A 55 32.427 -6.132 3.713 1.00 0.00 O ATOM 0 H SER A 55 29.915 -9.406 3.297 1.00 0.00 H new ATOM 0 HA SER A 55 31.266 -7.320 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.372 -6.359 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.294 -7.563 4.688 1.00 0.00 H new ATOM 0 HG SER A 55 32.444 -5.545 4.497 1.00 0.00 H new ATOM 929 N THR A 56 33.472 -8.543 1.764 1.00 0.00 N ATOM 930 CA THR A 56 34.748 -9.330 1.706 1.00 0.00 C ATOM 931 C THR A 56 35.461 -9.597 3.084 1.00 0.00 C ATOM 932 O THR A 56 36.056 -10.662 3.263 1.00 0.00 O ATOM 933 CB THR A 56 35.706 -8.644 0.676 1.00 0.00 C ATOM 934 OG1 THR A 56 35.052 -8.392 -0.565 1.00 0.00 O ATOM 935 CG2 THR A 56 36.956 -9.460 0.304 1.00 0.00 C ATOM 0 H THR A 56 33.482 -7.707 1.180 1.00 0.00 H new ATOM 0 HA THR A 56 34.476 -10.335 1.382 1.00 0.00 H new ATOM 0 HB THR A 56 36.003 -7.734 1.198 1.00 0.00 H new ATOM 0 HG1 THR A 56 35.679 -7.962 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.555 -8.901 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 56 37.547 -9.649 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.653 -10.409 -0.138 1.00 0.00 H new ATOM 943 N PHE A 57 35.400 -8.650 4.038 1.00 0.00 N ATOM 944 CA PHE A 57 35.950 -8.831 5.408 1.00 0.00 C ATOM 945 C PHE A 57 35.019 -9.654 6.366 1.00 0.00 C ATOM 946 O PHE A 57 35.460 -10.679 6.893 1.00 0.00 O ATOM 947 CB PHE A 57 36.325 -7.409 5.913 1.00 0.00 C ATOM 948 CG PHE A 57 37.231 -7.367 7.149 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.619 -7.477 7.001 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.690 -7.152 8.420 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.454 -7.348 8.106 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.528 -7.031 9.526 1.00 0.00 C ATOM 953 CZ PHE A 57 38.909 -7.113 9.366 1.00 0.00 C ATOM 0 H PHE A 57 34.970 -7.737 3.888 1.00 0.00 H new ATOM 0 HA PHE A 57 36.839 -9.461 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 57 36.819 -6.873 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.406 -6.868 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.043 -7.663 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.620 -7.080 8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.524 -7.430 7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.107 -6.874 10.508 1.00 0.00 H new ATOM 0 HZ PHE A 57 39.559 -6.994 10.221 1.00 0.00 H new ATOM 963 N ARG A 58 33.763 -9.221 6.619 1.00 0.00 N ATOM 964 CA ARG A 58 32.802 -9.980 7.471 1.00 0.00 C ATOM 965 C ARG A 58 31.326 -9.689 7.042 1.00 0.00 C ATOM 966 O ARG A 58 30.897 -8.532 6.991 1.00 0.00 O ATOM 967 CB ARG A 58 33.051 -9.645 8.974 1.00 0.00 C ATOM 968 CG ARG A 58 32.446 -10.640 9.998 1.00 0.00 C ATOM 969 CD ARG A 58 33.243 -11.958 10.125 1.00 0.00 C ATOM 970 NE ARG A 58 32.634 -12.877 11.125 1.00 0.00 N ATOM 971 CZ ARG A 58 32.892 -12.878 12.434 1.00 0.00 C ATOM 972 NH1 ARG A 58 33.673 -12.011 13.040 1.00 0.00 N ATOM 973 NH2 ARG A 58 32.327 -13.800 13.165 1.00 0.00 N ATOM 0 H ARG A 58 33.385 -8.349 6.247 1.00 0.00 H new ATOM 0 HA ARG A 58 32.966 -11.049 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.127 -9.591 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.647 -8.653 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.398 -10.159 10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 58 31.422 -10.871 9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 58 33.285 -12.453 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 58 34.270 -11.735 10.414 1.00 0.00 H new ATOM 0 HE ARG A 58 31.963 -13.564 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.129 -11.273 12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 33.822 -12.076 14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 58 31.712 -14.488 12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 58 32.501 -13.832 14.170 1.00 0.00 H new ATOM 987 N ASN A 59 30.538 -10.747 6.778 1.00 0.00 N ATOM 988 CA ASN A 59 29.093 -10.619 6.415 1.00 0.00 C ATOM 989 C ASN A 59 28.172 -10.320 7.647 1.00 0.00 C ATOM 990 O ASN A 59 28.403 -10.829 8.749 1.00 0.00 O ATOM 991 CB ASN A 59 28.634 -11.932 5.716 1.00 0.00 C ATOM 992 CG ASN A 59 29.270 -12.242 4.353 1.00 0.00 C ATOM 993 OD1 ASN A 59 29.623 -11.367 3.573 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.412 -13.496 4.001 1.00 0.00 N ATOM 0 H ASN A 59 30.870 -11.711 6.807 1.00 0.00 H new ATOM 0 HA ASN A 59 28.996 -9.765 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.841 -12.766 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.553 -11.889 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 59 29.811 -13.728 3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 59 29.124 -14.240 4.637 1.00 0.00 H new ATOM 1001 N TYR A 60 27.107 -9.519 7.445 1.00 0.00 N ATOM 1002 CA TYR A 60 26.134 -9.181 8.527 1.00 0.00 C ATOM 1003 C TYR A 60 24.876 -10.111 8.502 1.00 0.00 C ATOM 1004 O TYR A 60 24.704 -10.899 9.433 1.00 0.00 O ATOM 1005 CB TYR A 60 25.871 -7.644 8.456 1.00 0.00 C ATOM 1006 CG TYR A 60 24.878 -6.965 9.431 1.00 0.00 C ATOM 1007 CD1 TYR A 60 24.483 -7.536 10.648 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.409 -5.686 9.102 1.00 0.00 C ATOM 1009 CE1 TYR A 60 23.663 -6.835 11.527 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.578 -4.989 9.979 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.216 -5.561 11.193 1.00 0.00 C ATOM 1012 OH TYR A 60 22.438 -4.860 12.075 1.00 0.00 O ATOM 0 H TYR A 60 26.890 -9.089 6.546 1.00 0.00 H new ATOM 0 HA TYR A 60 26.539 -9.388 9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.833 -7.148 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.529 -7.424 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.818 -8.530 10.906 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.693 -5.237 8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.374 -7.280 12.468 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.216 -4.006 9.715 1.00 0.00 H new ATOM 0 HH TYR A 60 21.564 -5.295 12.158 1.00 0.00 H new ATOM 1022 N ILE A 61 24.008 -10.019 7.471 1.00 0.00 N ATOM 1023 CA ILE A 61 22.770 -10.857 7.335 1.00 0.00 C ATOM 1024 C ILE A 61 21.657 -10.422 8.359 1.00 0.00 C ATOM 1025 O ILE A 61 21.640 -10.885 9.504 1.00 0.00 O ATOM 1026 CB ILE A 61 23.000 -12.420 7.285 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.198 -12.933 6.426 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.715 -13.205 6.909 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.158 -12.656 4.912 1.00 0.00 C ATOM 0 H ILE A 61 24.136 -9.363 6.701 1.00 0.00 H new ATOM 0 HA ILE A 61 22.399 -10.639 6.333 1.00 0.00 H new ATOM 0 HB ILE A 61 23.279 -12.629 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.111 -12.491 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.277 -14.011 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.933 -14.273 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.938 -13.006 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.370 -12.888 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.052 -13.068 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.273 -13.124 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.121 -11.580 4.740 1.00 0.00 H new ATOM 1041 N MET A 62 20.692 -9.583 7.935 1.00 0.00 N ATOM 1042 CA MET A 62 19.515 -9.221 8.773 1.00 0.00 C ATOM 1043 C MET A 62 18.306 -10.132 8.397 1.00 0.00 C ATOM 1044 O MET A 62 17.606 -9.882 7.411 1.00 0.00 O ATOM 1045 CB MET A 62 19.180 -7.715 8.604 1.00 0.00 C ATOM 1046 CG MET A 62 20.150 -6.735 9.288 1.00 0.00 C ATOM 1047 SD MET A 62 19.507 -5.048 9.223 1.00 0.00 S ATOM 1048 CE MET A 62 18.246 -5.083 10.518 1.00 0.00 C ATOM 0 H MET A 62 20.698 -9.139 7.017 1.00 0.00 H new ATOM 0 HA MET A 62 19.746 -9.386 9.825 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.151 -7.485 7.539 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.178 -7.538 8.995 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.302 -7.031 10.326 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.123 -6.778 8.798 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.881 -4.072 10.698 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.418 -5.717 10.202 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.678 -5.481 11.436 1.00 0.00 H new ATOM 1058 N ASP A 63 18.072 -11.190 9.191 1.00 0.00 N ATOM 1059 CA ASP A 63 16.971 -12.168 8.961 1.00 0.00 C ATOM 1060 C ASP A 63 15.766 -11.857 9.909 1.00 0.00 C ATOM 1061 O ASP A 63 15.887 -12.029 11.127 1.00 0.00 O ATOM 1062 CB ASP A 63 17.610 -13.570 9.187 1.00 0.00 C ATOM 1063 CG ASP A 63 16.737 -14.789 8.879 1.00 0.00 C ATOM 1064 OD1 ASP A 63 15.552 -14.732 8.565 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.440 -15.953 8.997 1.00 0.00 O ATOM 0 H ASP A 63 18.636 -11.400 10.014 1.00 0.00 H new ATOM 0 HA ASP A 63 16.551 -12.118 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.510 -13.635 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.927 -13.634 10.228 1.00 0.00 H new ATOM 1071 N PHE A 64 14.621 -11.380 9.376 1.00 0.00 N ATOM 1072 CA PHE A 64 13.531 -10.805 10.228 1.00 0.00 C ATOM 1073 C PHE A 64 12.097 -10.970 9.642 1.00 0.00 C ATOM 1074 O PHE A 64 11.902 -11.048 8.426 1.00 0.00 O ATOM 1075 CB PHE A 64 13.844 -9.310 10.550 1.00 0.00 C ATOM 1076 CG PHE A 64 13.926 -8.324 9.368 1.00 0.00 C ATOM 1077 CD1 PHE A 64 12.769 -7.771 8.810 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.164 -8.062 8.777 1.00 0.00 C ATOM 1079 CE1 PHE A 64 12.848 -7.005 7.651 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.243 -7.299 7.618 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.084 -6.772 7.053 1.00 0.00 C ATOM 0 H PHE A 64 14.418 -11.376 8.376 1.00 0.00 H new ATOM 0 HA PHE A 64 13.522 -11.388 11.149 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.079 -8.948 11.236 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.794 -9.274 11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.811 -7.939 9.280 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.066 -8.455 9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.951 -6.591 7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.202 -7.115 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.144 -6.182 6.150 1.00 0.00 H new ATOM 1091 N GLN A 65 11.077 -10.916 10.517 1.00 0.00 N ATOM 1092 CA GLN A 65 9.675 -10.644 10.097 1.00 0.00 C ATOM 1093 C GLN A 65 9.302 -9.153 10.384 1.00 0.00 C ATOM 1094 O GLN A 65 9.629 -8.600 11.439 1.00 0.00 O ATOM 1095 CB GLN A 65 8.715 -11.649 10.785 1.00 0.00 C ATOM 1096 CG GLN A 65 8.840 -13.119 10.306 1.00 0.00 C ATOM 1097 CD GLN A 65 7.583 -13.994 10.408 1.00 0.00 C ATOM 1098 OE1 GLN A 65 6.439 -13.545 10.410 1.00 0.00 O ATOM 1099 NE2 GLN A 65 7.753 -15.292 10.408 1.00 0.00 N ATOM 0 H GLN A 65 11.189 -11.056 11.521 1.00 0.00 H new ATOM 0 HA GLN A 65 9.575 -10.789 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.893 -11.618 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.690 -11.317 10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.163 -13.110 9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.633 -13.597 10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.695 -15.683 10.406 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.943 -15.912 10.410 1.00 0.00 H new ATOM 1108 N VAL A 66 8.599 -8.500 9.442 1.00 0.00 N ATOM 1109 CA VAL A 66 8.211 -7.057 9.551 1.00 0.00 C ATOM 1110 C VAL A 66 7.159 -6.841 10.703 1.00 0.00 C ATOM 1111 O VAL A 66 6.151 -7.551 10.786 1.00 0.00 O ATOM 1112 CB VAL A 66 7.721 -6.533 8.153 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.269 -5.054 8.179 1.00 0.00 C ATOM 1114 CG2 VAL A 66 8.776 -6.629 7.020 1.00 0.00 C ATOM 0 H VAL A 66 8.278 -8.944 8.581 1.00 0.00 H new ATOM 0 HA VAL A 66 9.081 -6.463 9.830 1.00 0.00 H new ATOM 0 HB VAL A 66 6.886 -7.202 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.943 -4.756 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.443 -4.938 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.102 -4.424 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.350 -6.245 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.653 -6.039 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.068 -7.670 6.882 1.00 0.00 H new ATOM 1124 N GLY A 67 7.431 -5.891 11.616 1.00 0.00 N ATOM 1125 CA GLY A 67 6.699 -5.786 12.915 1.00 0.00 C ATOM 1126 C GLY A 67 7.310 -6.551 14.118 1.00 0.00 C ATOM 1127 O GLY A 67 7.390 -6.015 15.224 1.00 0.00 O ATOM 0 H GLY A 67 8.151 -5.180 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.628 -4.732 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.681 -6.146 12.763 1.00 0.00 H new ATOM 1131 N LYS A 68 7.709 -7.812 13.899 1.00 0.00 N ATOM 1132 CA LYS A 68 8.349 -8.693 14.899 1.00 0.00 C ATOM 1133 C LYS A 68 9.783 -8.207 15.319 1.00 0.00 C ATOM 1134 O LYS A 68 10.693 -8.059 14.497 1.00 0.00 O ATOM 1135 CB LYS A 68 8.246 -10.104 14.235 1.00 0.00 C ATOM 1136 CG LYS A 68 9.238 -11.195 14.683 1.00 0.00 C ATOM 1137 CD LYS A 68 8.671 -12.631 14.640 1.00 0.00 C ATOM 1138 CE LYS A 68 9.717 -13.737 14.869 1.00 0.00 C ATOM 1139 NZ LYS A 68 10.165 -13.792 16.277 1.00 0.00 N ATOM 0 H LYS A 68 7.593 -8.266 12.993 1.00 0.00 H new ATOM 0 HA LYS A 68 7.864 -8.696 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.238 -10.480 14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.358 -9.974 13.159 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.122 -11.148 14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.564 -10.977 15.700 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.892 -12.723 15.396 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.196 -12.792 13.672 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.294 -14.701 14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.576 -13.563 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.869 -14.550 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.592 -12.881 16.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.350 -13.984 16.893 1.00 0.00 H new ATOM 1152 N GLU A 69 9.958 -7.977 16.632 1.00 0.00 N ATOM 1153 CA GLU A 69 11.217 -7.436 17.207 1.00 0.00 C ATOM 1154 C GLU A 69 12.270 -8.565 17.473 1.00 0.00 C ATOM 1155 O GLU A 69 12.045 -9.447 18.309 1.00 0.00 O ATOM 1156 CB GLU A 69 10.803 -6.659 18.485 1.00 0.00 C ATOM 1157 CG GLU A 69 11.938 -5.839 19.138 1.00 0.00 C ATOM 1158 CD GLU A 69 11.470 -5.057 20.363 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.975 -3.934 20.304 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.646 -5.759 21.521 1.00 0.00 O ATOM 0 H GLU A 69 9.236 -8.158 17.329 1.00 0.00 H new ATOM 0 HA GLU A 69 11.724 -6.766 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.984 -5.985 18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.419 -7.369 19.217 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.746 -6.511 19.428 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.348 -5.145 18.404 1.00 0.00 H new ATOM 1168 N PHE A 70 13.408 -8.536 16.758 1.00 0.00 N ATOM 1169 CA PHE A 70 14.394 -9.660 16.743 1.00 0.00 C ATOM 1170 C PHE A 70 15.764 -9.293 17.409 1.00 0.00 C ATOM 1171 O PHE A 70 16.296 -8.198 17.200 1.00 0.00 O ATOM 1172 CB PHE A 70 14.509 -10.214 15.287 1.00 0.00 C ATOM 1173 CG PHE A 70 15.387 -9.459 14.262 1.00 0.00 C ATOM 1174 CD1 PHE A 70 15.003 -8.209 13.764 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.582 -10.032 13.814 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.819 -7.526 12.864 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.377 -9.367 12.884 1.00 0.00 C ATOM 1178 CZ PHE A 70 17.001 -8.112 12.418 1.00 0.00 C ATOM 0 H PHE A 70 13.680 -7.745 16.175 1.00 0.00 H new ATOM 0 HA PHE A 70 14.026 -10.466 17.378 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.885 -11.235 15.353 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.501 -10.271 14.877 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.068 -7.770 14.079 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.890 -10.996 14.192 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.535 -6.545 12.513 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.286 -9.826 12.525 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.627 -7.591 11.709 1.00 0.00 H new ATOM 1188 N GLU A 71 16.362 -10.223 18.180 1.00 0.00 N ATOM 1189 CA GLU A 71 17.698 -10.009 18.814 1.00 0.00 C ATOM 1190 C GLU A 71 18.875 -10.167 17.797 1.00 0.00 C ATOM 1191 O GLU A 71 19.171 -11.269 17.322 1.00 0.00 O ATOM 1192 CB GLU A 71 17.882 -10.970 20.024 1.00 0.00 C ATOM 1193 CG GLU A 71 17.102 -10.566 21.298 1.00 0.00 C ATOM 1194 CD GLU A 71 17.302 -11.518 22.473 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.509 -12.402 22.780 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.457 -11.270 23.152 1.00 0.00 O ATOM 0 H GLU A 71 15.949 -11.133 18.385 1.00 0.00 H new ATOM 0 HA GLU A 71 17.726 -8.979 19.169 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.570 -11.971 19.726 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.943 -11.026 20.267 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.410 -9.564 21.598 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.039 -10.515 21.061 1.00 0.00 H new ATOM 1204 N GLU A 72 19.570 -9.057 17.506 1.00 0.00 N ATOM 1205 CA GLU A 72 20.775 -9.055 16.635 1.00 0.00 C ATOM 1206 C GLU A 72 22.061 -9.255 17.490 1.00 0.00 C ATOM 1207 O GLU A 72 22.447 -8.373 18.266 1.00 0.00 O ATOM 1208 CB GLU A 72 20.855 -7.723 15.847 1.00 0.00 C ATOM 1209 CG GLU A 72 19.722 -7.485 14.825 1.00 0.00 C ATOM 1210 CD GLU A 72 19.999 -6.293 13.923 1.00 0.00 C ATOM 1211 OE1 GLU A 72 19.736 -5.129 14.217 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.610 -6.667 12.767 1.00 0.00 O ATOM 0 H GLU A 72 19.321 -8.134 17.862 1.00 0.00 H new ATOM 0 HA GLU A 72 20.699 -9.880 15.927 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.856 -6.899 16.560 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.809 -7.690 15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.594 -8.378 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.784 -7.325 15.357 1.00 0.00 H new ATOM 1363 N CYS A 82 20.996 -6.629 20.256 1.00 0.00 N ATOM 1364 CA CYS A 82 20.063 -5.489 20.056 1.00 0.00 C ATOM 1365 C CYS A 82 18.659 -5.967 19.585 1.00 0.00 C ATOM 1366 O CYS A 82 18.533 -6.672 18.579 1.00 0.00 O ATOM 1367 CB CYS A 82 20.700 -4.524 19.036 1.00 0.00 C ATOM 1368 SG CYS A 82 22.279 -3.866 19.671 1.00 0.00 S ATOM 0 HA CYS A 82 19.905 -4.976 21.005 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.870 -5.044 18.093 1.00 0.00 H new ATOM 0 HB3 CYS A 82 20.015 -3.702 18.828 1.00 0.00 H new ATOM 0 HG CYS A 82 22.797 -3.058 18.794 1.00 0.00 H new ATOM 1374 N MET A 83 17.601 -5.564 20.304 1.00 0.00 N ATOM 1375 CA MET A 83 16.199 -5.904 19.939 1.00 0.00 C ATOM 1376 C MET A 83 15.670 -4.957 18.816 1.00 0.00 C ATOM 1377 O MET A 83 15.261 -3.820 19.067 1.00 0.00 O ATOM 1378 CB MET A 83 15.318 -5.871 21.216 1.00 0.00 C ATOM 1379 CG MET A 83 15.490 -7.071 22.170 1.00 0.00 C ATOM 1380 SD MET A 83 13.952 -7.377 23.064 1.00 0.00 S ATOM 1381 CE MET A 83 13.193 -8.608 21.978 1.00 0.00 C ATOM 0 H MET A 83 17.681 -4.998 21.149 1.00 0.00 H new ATOM 0 HA MET A 83 16.157 -6.913 19.528 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.540 -4.957 21.766 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.272 -5.816 20.914 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.773 -7.958 21.604 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.297 -6.872 22.876 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.184 -8.829 22.327 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.147 -8.218 20.961 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.789 -9.520 21.990 1.00 0.00 H new ATOM 1391 N THR A 84 15.715 -5.427 17.563 1.00 0.00 N ATOM 1392 CA THR A 84 15.511 -4.562 16.371 1.00 0.00 C ATOM 1393 C THR A 84 14.069 -4.735 15.805 1.00 0.00 C ATOM 1394 O THR A 84 13.643 -5.842 15.470 1.00 0.00 O ATOM 1395 CB THR A 84 16.640 -4.858 15.342 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.909 -4.535 15.907 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.547 -4.033 14.050 1.00 0.00 C ATOM 0 H THR A 84 15.891 -6.406 17.337 1.00 0.00 H new ATOM 0 HA THR A 84 15.585 -3.508 16.637 1.00 0.00 H new ATOM 0 HB THR A 84 16.525 -5.915 15.102 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.592 -4.545 15.204 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.370 -4.300 13.388 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.599 -4.241 13.553 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.605 -2.972 14.291 1.00 0.00 H new ATOM 1405 N THR A 85 13.342 -3.617 15.667 1.00 0.00 N ATOM 1406 CA THR A 85 11.971 -3.594 15.074 1.00 0.00 C ATOM 1407 C THR A 85 12.054 -2.971 13.647 1.00 0.00 C ATOM 1408 O THR A 85 12.507 -1.832 13.492 1.00 0.00 O ATOM 1409 CB THR A 85 10.996 -2.804 15.999 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.949 -3.394 17.292 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.536 -2.780 15.513 1.00 0.00 C ATOM 0 H THR A 85 13.675 -2.698 15.959 1.00 0.00 H new ATOM 0 HA THR A 85 11.578 -4.607 14.989 1.00 0.00 H new ATOM 0 HB THR A 85 11.395 -1.790 15.999 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.334 -2.886 17.861 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.928 -2.210 16.215 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.488 -2.313 14.529 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.157 -3.800 15.450 1.00 0.00 H new ATOM 1419 N VAL A 86 11.599 -3.712 12.620 1.00 0.00 N ATOM 1420 CA VAL A 86 11.610 -3.240 11.200 1.00 0.00 C ATOM 1421 C VAL A 86 10.125 -3.134 10.713 1.00 0.00 C ATOM 1422 O VAL A 86 9.400 -4.132 10.721 1.00 0.00 O ATOM 1423 CB VAL A 86 12.472 -4.171 10.276 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.649 -3.557 8.871 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.894 -4.500 10.786 1.00 0.00 C ATOM 0 H VAL A 86 11.214 -4.649 12.737 1.00 0.00 H new ATOM 0 HA VAL A 86 12.083 -2.260 11.143 1.00 0.00 H new ATOM 0 HB VAL A 86 11.895 -5.096 10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.250 -4.225 8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.672 -3.419 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.150 -2.593 8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.397 -5.149 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.462 -3.577 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.827 -5.007 11.749 1.00 0.00 H new ATOM 1435 N SER A 87 9.681 -1.943 10.276 1.00 0.00 N ATOM 1436 CA SER A 87 8.261 -1.668 9.916 1.00 0.00 C ATOM 1437 C SER A 87 8.152 -1.020 8.496 1.00 0.00 C ATOM 1438 O SER A 87 8.934 -0.136 8.129 1.00 0.00 O ATOM 1439 CB SER A 87 7.643 -0.748 10.997 1.00 0.00 C ATOM 1440 OG SER A 87 7.509 -1.438 12.242 1.00 0.00 O ATOM 0 H SER A 87 10.292 -1.135 10.159 1.00 0.00 H new ATOM 0 HA SER A 87 7.709 -2.607 9.879 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.270 0.133 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.666 -0.396 10.665 1.00 0.00 H new ATOM 0 HG SER A 87 7.118 -0.836 12.909 1.00 0.00 H new ATOM 1446 N TRP A 88 7.154 -1.436 7.693 1.00 0.00 N ATOM 1447 CA TRP A 88 6.935 -0.879 6.327 1.00 0.00 C ATOM 1448 C TRP A 88 6.158 0.480 6.319 1.00 0.00 C ATOM 1449 O TRP A 88 4.997 0.541 6.733 1.00 0.00 O ATOM 1450 CB TRP A 88 6.169 -1.923 5.452 1.00 0.00 C ATOM 1451 CG TRP A 88 7.023 -2.855 4.586 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.884 -4.258 4.503 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.880 -2.510 3.553 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.667 -4.806 3.471 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.261 -3.703 2.885 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.282 -1.243 3.045 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 9.023 -3.637 1.700 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.054 -1.211 1.886 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.412 -2.387 1.221 1.00 0.00 C ATOM 0 H TRP A 88 6.482 -2.156 7.959 1.00 0.00 H new ATOM 0 HA TRP A 88 7.923 -0.675 5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.558 -2.538 6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.485 -1.382 4.798 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.251 -4.841 5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.772 -5.788 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.996 -0.330 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.300 -4.538 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.382 -0.260 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.002 -2.326 0.318 1.00 0.00 H new ATOM 1470 N ASP A 89 6.761 1.536 5.742 1.00 0.00 N ATOM 1471 CA ASP A 89 6.041 2.787 5.364 1.00 0.00 C ATOM 1472 C ASP A 89 5.989 2.946 3.796 1.00 0.00 C ATOM 1473 O ASP A 89 6.609 3.848 3.221 1.00 0.00 O ATOM 1474 CB ASP A 89 6.749 3.937 6.142 1.00 0.00 C ATOM 1475 CG ASP A 89 6.049 5.291 6.091 1.00 0.00 C ATOM 1476 OD1 ASP A 89 6.523 6.286 5.552 1.00 0.00 O ATOM 1477 OD2 ASP A 89 4.843 5.277 6.722 1.00 0.00 O ATOM 0 H ASP A 89 7.757 1.556 5.521 1.00 0.00 H new ATOM 0 HA ASP A 89 4.988 2.787 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.849 3.638 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.758 4.054 5.745 1.00 0.00 H new ATOM 1483 N GLY A 90 5.237 2.065 3.099 1.00 0.00 N ATOM 1484 CA GLY A 90 5.054 2.132 1.617 1.00 0.00 C ATOM 1485 C GLY A 90 6.298 1.784 0.764 1.00 0.00 C ATOM 1486 O GLY A 90 6.661 0.614 0.626 1.00 0.00 O ATOM 0 H GLY A 90 4.740 1.290 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.246 1.455 1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.729 3.139 1.356 1.00 0.00 H new ATOM 1490 N ASP A 91 6.967 2.811 0.219 1.00 0.00 N ATOM 1491 CA ASP A 91 8.368 2.669 -0.285 1.00 0.00 C ATOM 1492 C ASP A 91 9.478 2.607 0.829 1.00 0.00 C ATOM 1493 O ASP A 91 10.532 2.009 0.595 1.00 0.00 O ATOM 1494 CB ASP A 91 8.620 3.799 -1.327 1.00 0.00 C ATOM 1495 CG ASP A 91 9.864 3.646 -2.216 1.00 0.00 C ATOM 1496 OD1 ASP A 91 10.483 2.597 -2.362 1.00 0.00 O ATOM 1497 OD2 ASP A 91 10.206 4.811 -2.835 1.00 0.00 O ATOM 0 H ASP A 91 6.577 3.747 0.110 1.00 0.00 H new ATOM 0 HA ASP A 91 8.455 1.690 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.745 3.869 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.697 4.746 -0.792 1.00 0.00 H new ATOM 1503 N LYS A 92 9.274 3.234 2.003 1.00 0.00 N ATOM 1504 CA LYS A 92 10.340 3.459 3.011 1.00 0.00 C ATOM 1505 C LYS A 92 10.266 2.383 4.135 1.00 0.00 C ATOM 1506 O LYS A 92 9.377 2.403 4.988 1.00 0.00 O ATOM 1507 CB LYS A 92 10.253 4.918 3.557 1.00 0.00 C ATOM 1508 CG LYS A 92 10.213 6.058 2.501 1.00 0.00 C ATOM 1509 CD LYS A 92 10.431 7.478 3.062 1.00 0.00 C ATOM 1510 CE LYS A 92 11.916 7.868 3.140 1.00 0.00 C ATOM 1511 NZ LYS A 92 12.069 9.190 3.774 1.00 0.00 N ATOM 0 H LYS A 92 8.365 3.601 2.284 1.00 0.00 H new ATOM 0 HA LYS A 92 11.318 3.348 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.360 4.997 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.109 5.089 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.976 5.861 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.249 6.029 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.904 8.196 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.991 7.542 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.466 7.119 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.347 7.886 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.078 9.439 3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.561 9.904 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.676 9.161 4.737 1.00 0.00 H new ATOM 1524 N LEU A 93 11.214 1.436 4.156 1.00 0.00 N ATOM 1525 CA LEU A 93 11.343 0.444 5.254 1.00 0.00 C ATOM 1526 C LEU A 93 12.089 1.089 6.467 1.00 0.00 C ATOM 1527 O LEU A 93 13.275 1.427 6.393 1.00 0.00 O ATOM 1528 CB LEU A 93 12.047 -0.799 4.654 1.00 0.00 C ATOM 1529 CG LEU A 93 12.140 -2.050 5.561 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.767 -2.699 5.806 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.071 -3.088 4.916 1.00 0.00 C ATOM 0 H LEU A 93 11.913 1.329 3.421 1.00 0.00 H new ATOM 0 HA LEU A 93 10.380 0.127 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.523 -1.079 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.058 -0.512 4.366 1.00 0.00 H new ATOM 0 HG LEU A 93 12.534 -1.721 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.887 -3.572 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.106 -1.980 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.334 -3.005 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.135 -3.968 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.675 -3.376 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.065 -2.658 4.791 1.00 0.00 H new ATOM 1543 N GLN A 94 11.348 1.299 7.563 1.00 0.00 N ATOM 1544 CA GLN A 94 11.836 2.007 8.771 1.00 0.00 C ATOM 1545 C GLN A 94 12.307 0.995 9.858 1.00 0.00 C ATOM 1546 O GLN A 94 11.548 0.111 10.263 1.00 0.00 O ATOM 1547 CB GLN A 94 10.656 2.874 9.303 1.00 0.00 C ATOM 1548 CG GLN A 94 10.480 4.278 8.663 1.00 0.00 C ATOM 1549 CD GLN A 94 11.580 5.322 8.931 1.00 0.00 C ATOM 1550 OE1 GLN A 94 11.992 6.063 8.048 1.00 0.00 O ATOM 1551 NE2 GLN A 94 12.118 5.439 10.123 1.00 0.00 N ATOM 0 H GLN A 94 10.382 0.982 7.644 1.00 0.00 H new ATOM 0 HA GLN A 94 12.695 2.632 8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.731 2.316 9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.786 3.003 10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.395 4.148 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.533 4.690 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.802 4.840 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.851 6.129 10.286 1.00 0.00 H new ATOM 1560 N CYS A 95 13.540 1.149 10.361 1.00 0.00 N ATOM 1561 CA CYS A 95 14.122 0.243 11.378 1.00 0.00 C ATOM 1562 C CYS A 95 14.665 1.024 12.603 1.00 0.00 C ATOM 1563 O CYS A 95 15.413 1.995 12.450 1.00 0.00 O ATOM 1564 CB CYS A 95 15.244 -0.556 10.693 1.00 0.00 C ATOM 1565 SG CYS A 95 16.124 -1.628 11.880 1.00 0.00 S ATOM 0 H CYS A 95 14.167 1.903 10.079 1.00 0.00 H new ATOM 0 HA CYS A 95 13.352 -0.426 11.762 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.822 -1.166 9.894 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.951 0.132 10.229 1.00 0.00 H new ATOM 0 HG CYS A 95 17.281 -1.961 11.389 1.00 0.00 H new ATOM 1571 N VAL A 96 14.343 0.552 13.818 1.00 0.00 N ATOM 1572 CA VAL A 96 14.983 1.038 15.077 1.00 0.00 C ATOM 1573 C VAL A 96 15.721 -0.149 15.790 1.00 0.00 C ATOM 1574 O VAL A 96 15.138 -1.217 16.010 1.00 0.00 O ATOM 1575 CB VAL A 96 13.951 1.817 15.964 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.786 0.977 16.537 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.630 2.583 17.123 1.00 0.00 C ATOM 0 H VAL A 96 13.639 -0.171 13.968 1.00 0.00 H new ATOM 0 HA VAL A 96 15.757 1.773 14.855 1.00 0.00 H new ATOM 0 HB VAL A 96 13.510 2.516 15.253 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.135 1.617 17.133 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.214 0.541 15.718 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.186 0.181 17.165 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.872 3.106 17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.160 1.878 17.764 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.337 3.306 16.716 1.00 0.00 H new ATOM 1587 N GLN A 97 17.003 0.045 16.150 1.00 0.00 N ATOM 1588 CA GLN A 97 17.820 -0.977 16.867 1.00 0.00 C ATOM 1589 C GLN A 97 17.869 -0.639 18.392 1.00 0.00 C ATOM 1590 O GLN A 97 18.588 0.277 18.811 1.00 0.00 O ATOM 1591 CB GLN A 97 19.258 -1.005 16.278 1.00 0.00 C ATOM 1592 CG GLN A 97 19.433 -1.436 14.801 1.00 0.00 C ATOM 1593 CD GLN A 97 20.903 -1.491 14.362 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.593 -0.484 14.233 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.448 -2.659 14.138 1.00 0.00 N ATOM 0 H GLN A 97 17.509 0.909 15.957 1.00 0.00 H new ATOM 0 HA GLN A 97 17.365 -1.959 16.738 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.682 -0.007 16.387 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.858 -1.675 16.894 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.980 -2.417 14.659 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.894 -0.740 14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.893 -3.509 14.239 1.00 0.00 H new ATOM 0 HE22 GLN A 97 22.428 -2.720 13.862 1.00 0.00 H new ATOM 1604 N LYS A 98 17.115 -1.368 19.232 1.00 0.00 N ATOM 1605 CA LYS A 98 16.985 -1.038 20.682 1.00 0.00 C ATOM 1606 C LYS A 98 18.070 -1.791 21.519 1.00 0.00 C ATOM 1607 O LYS A 98 18.127 -3.025 21.528 1.00 0.00 O ATOM 1608 CB LYS A 98 15.554 -1.367 21.184 1.00 0.00 C ATOM 1609 CG LYS A 98 14.387 -0.656 20.453 1.00 0.00 C ATOM 1610 CD LYS A 98 13.013 -1.117 20.969 1.00 0.00 C ATOM 1611 CE LYS A 98 11.852 -0.489 20.182 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.570 -1.053 20.641 1.00 0.00 N ATOM 0 H LYS A 98 16.583 -2.189 18.944 1.00 0.00 H new ATOM 0 HA LYS A 98 17.150 0.031 20.814 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.403 -2.443 21.103 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.497 -1.116 22.243 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.480 0.422 20.585 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.457 -0.853 19.383 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.948 -2.203 20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.917 -0.856 22.023 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.853 0.593 20.318 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.981 -0.677 19.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.798 -0.688 20.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.601 -2.090 20.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.405 -0.780 21.631 1.00 0.00 H new ATOM 1625 N GLY A 99 18.937 -1.044 22.222 1.00 0.00 N ATOM 1626 CA GLY A 99 20.073 -1.655 22.965 1.00 0.00 C ATOM 1627 C GLY A 99 20.907 -0.694 23.835 1.00 0.00 C ATOM 1628 O GLY A 99 20.921 -0.830 25.061 1.00 0.00 O ATOM 0 H GLY A 99 18.883 -0.028 22.297 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.680 -2.444 23.606 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.738 -2.131 22.245 1.00 0.00 H new ATOM 1632 N GLU A 100 21.686 0.199 23.208 1.00 0.00 N ATOM 1633 CA GLU A 100 22.544 1.189 23.935 1.00 0.00 C ATOM 1634 C GLU A 100 22.497 2.602 23.270 1.00 0.00 C ATOM 1635 O GLU A 100 22.111 3.579 23.922 1.00 0.00 O ATOM 1636 CB GLU A 100 24.009 0.680 24.117 1.00 0.00 C ATOM 1637 CG GLU A 100 24.244 -0.440 25.163 1.00 0.00 C ATOM 1638 CD GLU A 100 24.186 -1.871 24.626 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.104 -2.386 23.994 1.00 0.00 O ATOM 1640 OE2 GLU A 100 23.019 -2.505 24.946 1.00 0.00 O ATOM 0 H GLU A 100 21.750 0.268 22.192 1.00 0.00 H new ATOM 0 HA GLU A 100 22.122 1.293 24.935 1.00 0.00 H new ATOM 0 HB2 GLU A 100 24.364 0.321 23.151 1.00 0.00 H new ATOM 0 HB3 GLU A 100 24.632 1.532 24.389 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.220 -0.283 25.623 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.499 -0.337 25.952 1.00 0.00 H new ATOM 1648 N LYS A 101 22.909 2.734 21.991 1.00 0.00 N ATOM 1649 CA LYS A 101 23.041 4.056 21.321 1.00 0.00 C ATOM 1650 C LYS A 101 21.647 4.677 20.989 1.00 0.00 C ATOM 1651 O LYS A 101 20.730 4.012 20.500 1.00 0.00 O ATOM 1652 CB LYS A 101 23.975 3.938 20.082 1.00 0.00 C ATOM 1653 CG LYS A 101 25.493 4.032 20.382 1.00 0.00 C ATOM 1654 CD LYS A 101 26.085 2.842 21.157 1.00 0.00 C ATOM 1655 CE LYS A 101 27.588 2.959 21.462 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.873 3.959 22.513 1.00 0.00 N ATOM 0 H LYS A 101 23.157 1.943 21.397 1.00 0.00 H new ATOM 0 HA LYS A 101 23.512 4.756 22.011 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.778 2.986 19.589 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.712 4.724 19.374 1.00 0.00 H new ATOM 0 HG2 LYS A 101 26.028 4.131 19.437 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.678 4.943 20.951 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.545 2.733 22.097 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.914 1.931 20.584 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.969 1.987 21.776 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.121 3.231 20.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.884 4.201 22.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.309 4.816 22.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.626 3.565 23.443 1.00 0.00 H new ATOM 1669 N GLU A 102 21.492 5.965 21.323 1.00 0.00 N ATOM 1670 CA GLU A 102 20.147 6.601 21.471 1.00 0.00 C ATOM 1671 C GLU A 102 19.338 6.773 20.146 1.00 0.00 C ATOM 1672 O GLU A 102 18.247 6.211 20.019 1.00 0.00 O ATOM 1673 CB GLU A 102 20.299 7.901 22.313 1.00 0.00 C ATOM 1674 CG GLU A 102 20.845 7.740 23.762 1.00 0.00 C ATOM 1675 CD GLU A 102 19.931 6.977 24.724 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.055 7.526 25.386 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.195 5.633 24.759 1.00 0.00 O ATOM 0 H GLU A 102 22.272 6.599 21.499 1.00 0.00 H new ATOM 0 HA GLU A 102 19.506 5.906 22.014 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.961 8.579 21.774 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.324 8.385 22.369 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.806 7.227 23.716 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.032 8.731 24.174 1.00 0.00 H new ATOM 1685 N GLY A 103 19.895 7.462 19.141 1.00 0.00 N ATOM 1686 CA GLY A 103 19.360 7.440 17.752 1.00 0.00 C ATOM 1687 C GLY A 103 19.788 6.268 16.833 1.00 0.00 C ATOM 1688 O GLY A 103 20.096 6.521 15.670 1.00 0.00 O ATOM 0 H GLY A 103 20.722 8.048 19.255 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.272 7.439 17.812 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.651 8.371 17.266 1.00 0.00 H new ATOM 1692 N ARG A 104 19.794 5.011 17.315 1.00 0.00 N ATOM 1693 CA ARG A 104 20.259 3.837 16.530 1.00 0.00 C ATOM 1694 C ARG A 104 19.142 3.211 15.628 1.00 0.00 C ATOM 1695 O ARG A 104 18.119 2.720 16.116 1.00 0.00 O ATOM 1696 CB ARG A 104 20.898 2.820 17.511 1.00 0.00 C ATOM 1697 CG ARG A 104 21.834 1.793 16.835 1.00 0.00 C ATOM 1698 CD ARG A 104 22.274 0.668 17.788 1.00 0.00 C ATOM 1699 NE ARG A 104 23.128 -0.284 17.034 1.00 0.00 N ATOM 1700 CZ ARG A 104 24.166 -0.953 17.535 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.505 -0.964 18.807 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.903 -1.639 16.711 1.00 0.00 N ATOM 0 H ARG A 104 19.479 4.774 18.256 1.00 0.00 H new ATOM 0 HA ARG A 104 21.012 4.163 15.813 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.462 3.366 18.267 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.103 2.284 18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.326 1.356 15.975 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.717 2.308 16.456 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.824 1.082 18.633 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.403 0.154 18.195 1.00 0.00 H new ATOM 0 HE ARG A 104 22.902 -0.439 16.052 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.957 -0.435 19.485 1.00 0.00 H new ATOM 0 HH12 ARG A 104 25.315 -1.502 19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.678 -1.653 15.716 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.706 -2.163 17.060 1.00 0.00 H new ATOM 1716 N GLY A 105 19.367 3.205 14.305 1.00 0.00 N ATOM 1717 CA GLY A 105 18.394 2.646 13.333 1.00 0.00 C ATOM 1718 C GLY A 105 18.778 2.840 11.851 1.00 0.00 C ATOM 1719 O GLY A 105 19.912 3.188 11.509 1.00 0.00 O ATOM 0 H GLY A 105 20.213 3.580 13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.279 1.580 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.422 3.108 13.506 1.00 0.00 H new ATOM 1723 N TRP A 106 17.806 2.620 10.954 1.00 0.00 N ATOM 1724 CA TRP A 106 17.963 2.929 9.502 1.00 0.00 C ATOM 1725 C TRP A 106 16.608 3.175 8.762 1.00 0.00 C ATOM 1726 O TRP A 106 15.561 2.634 9.123 1.00 0.00 O ATOM 1727 CB TRP A 106 18.907 1.939 8.745 1.00 0.00 C ATOM 1728 CG TRP A 106 18.617 0.434 8.785 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.324 -0.487 9.585 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.677 -0.315 8.098 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.851 -1.799 9.415 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.821 -1.669 8.499 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.628 0.063 7.224 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.906 -2.646 8.039 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.729 -0.913 6.799 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.869 -2.249 7.195 1.00 0.00 C ATOM 0 H TRP A 106 16.896 2.229 11.197 1.00 0.00 H new ATOM 0 HA TRP A 106 18.480 3.888 9.481 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.923 2.240 7.698 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.914 2.087 9.134 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.132 -0.216 10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.189 -2.651 9.863 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.527 1.086 6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.009 -3.679 8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.910 -0.634 6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.162 -2.984 6.841 1.00 0.00 H new ATOM 1747 N THR A 107 16.652 3.971 7.680 1.00 0.00 N ATOM 1748 CA THR A 107 15.510 4.141 6.731 1.00 0.00 C ATOM 1749 C THR A 107 15.987 3.677 5.310 1.00 0.00 C ATOM 1750 O THR A 107 16.943 4.239 4.765 1.00 0.00 O ATOM 1751 CB THR A 107 15.048 5.629 6.727 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.568 6.014 8.008 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.890 5.917 5.765 1.00 0.00 C ATOM 0 H THR A 107 17.474 4.519 7.428 1.00 0.00 H new ATOM 0 HA THR A 107 14.655 3.536 7.034 1.00 0.00 H new ATOM 0 HB THR A 107 15.936 6.182 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.663 6.379 7.922 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.626 6.973 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.193 5.671 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 107 13.027 5.312 6.043 1.00 0.00 H new ATOM 1761 N GLN A 108 15.316 2.680 4.704 1.00 0.00 N ATOM 1762 CA GLN A 108 15.710 2.115 3.375 1.00 0.00 C ATOM 1763 C GLN A 108 14.560 2.256 2.327 1.00 0.00 C ATOM 1764 O GLN A 108 13.432 1.842 2.596 1.00 0.00 O ATOM 1765 CB GLN A 108 16.113 0.635 3.616 1.00 0.00 C ATOM 1766 CG GLN A 108 16.819 -0.058 2.430 1.00 0.00 C ATOM 1767 CD GLN A 108 17.291 -1.487 2.728 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.356 -1.727 3.283 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.542 -2.493 2.358 1.00 0.00 N ATOM 0 H GLN A 108 14.490 2.238 5.108 1.00 0.00 H new ATOM 0 HA GLN A 108 16.550 2.666 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.770 0.591 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.217 0.068 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.137 -0.082 1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.679 0.542 2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.650 -2.321 1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.850 -3.450 2.534 1.00 0.00 H new ATOM 1778 N TRP A 109 14.823 2.813 1.128 1.00 0.00 N ATOM 1779 CA TRP A 109 13.762 3.060 0.100 1.00 0.00 C ATOM 1780 C TRP A 109 14.276 2.943 -1.368 1.00 0.00 C ATOM 1781 O TRP A 109 15.453 3.175 -1.646 1.00 0.00 O ATOM 1782 CB TRP A 109 13.052 4.419 0.388 1.00 0.00 C ATOM 1783 CG TRP A 109 13.785 5.721 0.031 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.659 6.422 -1.185 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.707 6.433 0.776 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.482 7.564 -1.217 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.118 7.550 0.009 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.286 6.184 2.046 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 16.121 8.417 0.495 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.272 7.055 2.510 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.684 8.155 1.745 1.00 0.00 C ATOM 0 H TRP A 109 15.756 3.104 0.837 1.00 0.00 H new ATOM 0 HA TRP A 109 13.025 2.262 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 109 12.102 4.416 -0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.818 4.452 1.452 1.00 0.00 H new ATOM 0 HD1 TRP A 109 13.010 6.120 -1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.585 8.244 -1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.971 5.339 2.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.446 9.266 -0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.725 6.879 3.474 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.451 8.811 2.130 1.00 0.00 H new ATOM 1802 N ILE A 110 13.383 2.642 -2.328 1.00 0.00 N ATOM 1803 CA ILE A 110 13.738 2.613 -3.781 1.00 0.00 C ATOM 1804 C ILE A 110 13.408 3.993 -4.452 1.00 0.00 C ATOM 1805 O ILE A 110 12.303 4.538 -4.321 1.00 0.00 O ATOM 1806 CB ILE A 110 13.091 1.378 -4.509 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.688 0.036 -3.992 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.251 1.415 -6.057 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.911 -1.221 -4.407 1.00 0.00 C ATOM 0 H ILE A 110 12.408 2.414 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 110 14.814 2.471 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 110 12.029 1.441 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.712 -0.052 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.736 0.072 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.781 0.533 -6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.773 2.312 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.310 1.426 -6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.403 -2.104 -4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.893 -1.163 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.884 -1.290 -5.495 1.00 0.00 H new ATOM 1821 N GLU A 111 14.371 4.477 -5.252 1.00 0.00 N ATOM 1822 CA GLU A 111 14.141 5.502 -6.309 1.00 0.00 C ATOM 1823 C GLU A 111 14.507 4.874 -7.696 1.00 0.00 C ATOM 1824 O GLU A 111 15.675 4.849 -8.104 1.00 0.00 O ATOM 1825 CB GLU A 111 14.974 6.775 -5.989 1.00 0.00 C ATOM 1826 CG GLU A 111 14.368 7.672 -4.884 1.00 0.00 C ATOM 1827 CD GLU A 111 15.229 8.875 -4.508 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.821 8.984 -3.439 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.247 9.827 -5.481 1.00 0.00 O ATOM 0 H GLU A 111 15.343 4.172 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 111 13.095 5.808 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.976 6.472 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.081 7.363 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.393 8.028 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.201 7.067 -3.993 1.00 0.00 H new ATOM 1837 N GLY A 112 13.500 4.334 -8.412 1.00 0.00 N ATOM 1838 CA GLY A 112 13.699 3.688 -9.742 1.00 0.00 C ATOM 1839 C GLY A 112 14.473 2.349 -9.726 1.00 0.00 C ATOM 1840 O GLY A 112 13.953 1.331 -9.266 1.00 0.00 O ATOM 0 H GLY A 112 12.530 4.329 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.721 3.516 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.230 4.386 -10.389 1.00 0.00 H new ATOM 1844 N ASP A 113 15.721 2.368 -10.216 1.00 0.00 N ATOM 1845 CA ASP A 113 16.678 1.228 -10.049 1.00 0.00 C ATOM 1846 C ASP A 113 17.603 1.240 -8.778 1.00 0.00 C ATOM 1847 O ASP A 113 18.456 0.354 -8.652 1.00 0.00 O ATOM 1848 CB ASP A 113 17.502 1.106 -11.364 1.00 0.00 C ATOM 1849 CG ASP A 113 18.456 2.253 -11.749 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.726 3.213 -11.026 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.970 2.074 -13.000 1.00 0.00 O ATOM 0 H ASP A 113 16.107 3.157 -10.735 1.00 0.00 H new ATOM 0 HA ASP A 113 16.066 0.346 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.093 0.192 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.797 0.973 -12.185 1.00 0.00 H new ATOM 1857 N GLU A 114 17.479 2.225 -7.869 1.00 0.00 N ATOM 1858 CA GLU A 114 18.463 2.464 -6.782 1.00 0.00 C ATOM 1859 C GLU A 114 17.801 2.372 -5.378 1.00 0.00 C ATOM 1860 O GLU A 114 16.784 3.007 -5.096 1.00 0.00 O ATOM 1861 CB GLU A 114 19.148 3.836 -7.017 1.00 0.00 C ATOM 1862 CG GLU A 114 20.254 3.796 -8.102 1.00 0.00 C ATOM 1863 CD GLU A 114 20.559 5.150 -8.729 1.00 0.00 C ATOM 1864 OE1 GLU A 114 21.231 6.013 -8.170 1.00 0.00 O ATOM 1865 OE2 GLU A 114 20.001 5.285 -9.972 1.00 0.00 O ATOM 0 H GLU A 114 16.697 2.880 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 114 19.223 1.683 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.392 4.566 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.582 4.182 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 114 21.167 3.398 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.952 3.103 -8.888 1.00 0.00 H new ATOM 1873 N LEU A 115 18.433 1.587 -4.499 1.00 0.00 N ATOM 1874 CA LEU A 115 18.070 1.471 -3.068 1.00 0.00 C ATOM 1875 C LEU A 115 18.894 2.505 -2.237 1.00 0.00 C ATOM 1876 O LEU A 115 20.123 2.427 -2.127 1.00 0.00 O ATOM 1877 CB LEU A 115 18.352 -0.003 -2.682 1.00 0.00 C ATOM 1878 CG LEU A 115 17.955 -0.467 -1.262 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.434 -0.688 -1.162 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.699 -1.769 -0.922 1.00 0.00 C ATOM 0 H LEU A 115 19.226 1.001 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 115 17.024 1.702 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.836 -0.641 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.420 -0.183 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 115 18.233 0.310 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.179 -1.014 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.915 0.245 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.129 -1.451 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.420 -2.097 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.431 -2.540 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.774 -1.594 -0.960 1.00 0.00 H new ATOM 1892 N HIS A 116 18.186 3.481 -1.669 1.00 0.00 N ATOM 1893 CA HIS A 116 18.775 4.595 -0.885 1.00 0.00 C ATOM 1894 C HIS A 116 18.596 4.291 0.636 1.00 0.00 C ATOM 1895 O HIS A 116 17.486 4.035 1.115 1.00 0.00 O ATOM 1896 CB HIS A 116 18.068 5.913 -1.306 1.00 0.00 C ATOM 1897 CG HIS A 116 18.500 6.523 -2.645 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.232 5.965 -3.890 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.179 7.745 -2.790 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.807 6.920 -4.689 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.401 8.017 -4.128 1.00 0.00 N ATOM 0 H HIS A 116 17.169 3.531 -1.735 1.00 0.00 H new ATOM 0 HA HIS A 116 19.842 4.702 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.995 5.727 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.234 6.654 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.484 8.381 -1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.791 6.806 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.872 8.807 -4.569 1.00 0.00 H new ATOM 1909 N LEU A 117 19.708 4.297 1.383 1.00 0.00 N ATOM 1910 CA LEU A 117 19.755 3.852 2.800 1.00 0.00 C ATOM 1911 C LEU A 117 20.345 4.978 3.702 1.00 0.00 C ATOM 1912 O LEU A 117 21.506 5.372 3.545 1.00 0.00 O ATOM 1913 CB LEU A 117 20.605 2.549 2.826 1.00 0.00 C ATOM 1914 CG LEU A 117 20.823 1.887 4.212 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.535 1.273 4.776 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.900 0.799 4.106 1.00 0.00 C ATOM 0 H LEU A 117 20.611 4.611 1.028 1.00 0.00 H new ATOM 0 HA LEU A 117 18.761 3.647 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.129 1.819 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.582 2.772 2.398 1.00 0.00 H new ATOM 0 HG LEU A 117 21.143 2.672 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.741 0.823 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.780 2.051 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.167 0.508 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 117 22.049 0.338 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.582 0.040 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.836 1.245 3.769 1.00 0.00 H new ATOM 1928 N GLU A 118 19.569 5.447 4.690 1.00 0.00 N ATOM 1929 CA GLU A 118 20.076 6.370 5.744 1.00 0.00 C ATOM 1930 C GLU A 118 20.261 5.590 7.080 1.00 0.00 C ATOM 1931 O GLU A 118 19.270 5.256 7.734 1.00 0.00 O ATOM 1932 CB GLU A 118 19.087 7.555 5.919 1.00 0.00 C ATOM 1933 CG GLU A 118 19.087 8.594 4.778 1.00 0.00 C ATOM 1934 CD GLU A 118 18.136 9.762 5.022 1.00 0.00 C ATOM 1935 OE1 GLU A 118 18.503 10.879 5.371 1.00 0.00 O ATOM 1936 OE2 GLU A 118 16.833 9.422 4.815 1.00 0.00 O ATOM 0 H GLU A 118 18.583 5.207 4.791 1.00 0.00 H new ATOM 0 HA GLU A 118 21.044 6.773 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.079 7.152 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.321 8.066 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.098 8.980 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.812 8.100 3.846 1.00 0.00 H new ATOM 1944 N MET A 119 21.510 5.308 7.493 1.00 0.00 N ATOM 1945 CA MET A 119 21.801 4.582 8.765 1.00 0.00 C ATOM 1946 C MET A 119 22.152 5.576 9.911 1.00 0.00 C ATOM 1947 O MET A 119 23.070 6.387 9.782 1.00 0.00 O ATOM 1948 CB MET A 119 22.945 3.551 8.594 1.00 0.00 C ATOM 1949 CG MET A 119 22.768 2.458 7.524 1.00 0.00 C ATOM 1950 SD MET A 119 24.086 1.230 7.650 1.00 0.00 S ATOM 1951 CE MET A 119 25.515 2.200 7.135 1.00 0.00 C ATOM 0 H MET A 119 22.345 5.569 6.968 1.00 0.00 H new ATOM 0 HA MET A 119 20.894 4.040 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.859 4.099 8.366 1.00 0.00 H new ATOM 0 HB3 MET A 119 23.099 3.059 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.799 1.974 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.776 2.908 6.531 1.00 0.00 H new ATOM 0 HE1 MET A 119 26.302 1.531 6.787 1.00 0.00 H new ATOM 0 HE2 MET A 119 25.226 2.873 6.327 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.882 2.784 7.979 1.00 0.00 H new ATOM 1961 N ARG A 120 21.429 5.504 11.034 1.00 0.00 N ATOM 1962 CA ARG A 120 21.511 6.500 12.140 1.00 0.00 C ATOM 1963 C ARG A 120 22.156 5.866 13.416 1.00 0.00 C ATOM 1964 O ARG A 120 21.838 4.723 13.763 1.00 0.00 O ATOM 1965 CB ARG A 120 20.059 6.975 12.439 1.00 0.00 C ATOM 1966 CG ARG A 120 19.303 7.708 11.295 1.00 0.00 C ATOM 1967 CD ARG A 120 17.793 7.884 11.559 1.00 0.00 C ATOM 1968 NE ARG A 120 17.063 6.600 11.367 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.808 6.367 11.746 1.00 0.00 C ATOM 1970 NH1 ARG A 120 15.029 7.257 12.322 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.319 5.178 11.536 1.00 0.00 N ATOM 0 H ARG A 120 20.763 4.753 11.215 1.00 0.00 H new ATOM 0 HA ARG A 120 22.141 7.341 11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.471 6.104 12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.092 7.639 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.753 8.689 11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.438 7.151 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.638 8.246 12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.389 8.640 10.886 1.00 0.00 H new ATOM 0 HE ARG A 120 17.564 5.839 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.378 8.198 12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.076 7.006 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.894 4.461 11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.361 4.964 11.814 1.00 0.00 H new ATOM 1985 N ALA A 121 23.032 6.595 14.138 1.00 0.00 N ATOM 1986 CA ALA A 121 23.487 6.190 15.504 1.00 0.00 C ATOM 1987 C ALA A 121 23.779 7.405 16.432 1.00 0.00 C ATOM 1988 O ALA A 121 24.460 8.357 16.036 1.00 0.00 O ATOM 1989 CB ALA A 121 24.707 5.261 15.435 1.00 0.00 C ATOM 0 H ALA A 121 23.444 7.468 13.807 1.00 0.00 H new ATOM 0 HA ALA A 121 22.655 5.643 15.948 1.00 0.00 H new ATOM 0 HB1 ALA A 121 25.012 4.986 16.445 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.448 4.362 14.876 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.528 5.775 14.935 1.00 0.00 H new ATOM 1995 N GLU A 122 23.256 7.370 17.678 1.00 0.00 N ATOM 1996 CA GLU A 122 23.319 8.505 18.659 1.00 0.00 C ATOM 1997 C GLU A 122 22.513 9.778 18.225 1.00 0.00 C ATOM 1998 O GLU A 122 21.427 10.049 18.739 1.00 0.00 O ATOM 1999 CB GLU A 122 24.741 8.793 19.233 1.00 0.00 C ATOM 2000 CG GLU A 122 25.472 7.555 19.808 1.00 0.00 C ATOM 2001 CD GLU A 122 26.646 7.825 20.748 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.710 7.373 21.888 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.608 8.598 20.166 1.00 0.00 O ATOM 0 H GLU A 122 22.772 6.551 18.046 1.00 0.00 H new ATOM 0 HA GLU A 122 22.771 8.134 19.525 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.355 9.226 18.444 1.00 0.00 H new ATOM 0 HB3 GLU A 122 24.655 9.544 20.018 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.742 6.947 20.342 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.836 6.957 18.973 1.00 0.00 H new ATOM 2011 N GLY A 123 23.050 10.501 17.242 1.00 0.00 N ATOM 2012 CA GLY A 123 22.272 11.420 16.369 1.00 0.00 C ATOM 2013 C GLY A 123 23.014 11.741 15.044 1.00 0.00 C ATOM 2014 O GLY A 123 23.176 12.912 14.700 1.00 0.00 O ATOM 0 H GLY A 123 24.044 10.475 17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.305 10.971 16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.074 12.348 16.906 1.00 0.00 H new ATOM 2018 N VAL A 124 23.490 10.705 14.327 1.00 0.00 N ATOM 2019 CA VAL A 124 24.507 10.854 13.240 1.00 0.00 C ATOM 2020 C VAL A 124 24.101 9.898 12.074 1.00 0.00 C ATOM 2021 O VAL A 124 24.025 8.679 12.262 1.00 0.00 O ATOM 2022 CB VAL A 124 25.952 10.528 13.764 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.027 10.508 12.655 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.466 11.485 14.866 1.00 0.00 C ATOM 0 H VAL A 124 23.189 9.742 14.475 1.00 0.00 H new ATOM 0 HA VAL A 124 24.530 11.885 12.888 1.00 0.00 H new ATOM 0 HB VAL A 124 25.819 9.530 14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 124 27.998 10.276 13.093 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.772 9.749 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.071 11.485 12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.470 11.186 15.168 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.492 12.504 14.480 1.00 0.00 H new ATOM 0 HG23 VAL A 124 25.799 11.440 15.727 1.00 0.00 H new ATOM 2034 N THR A 125 23.913 10.453 10.867 1.00 0.00 N ATOM 2035 CA THR A 125 23.398 9.689 9.692 1.00 0.00 C ATOM 2036 C THR A 125 24.537 9.380 8.661 1.00 0.00 C ATOM 2037 O THR A 125 25.156 10.295 8.109 1.00 0.00 O ATOM 2038 CB THR A 125 22.199 10.450 9.040 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.201 10.757 10.010 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.459 9.646 7.959 1.00 0.00 C ATOM 0 H THR A 125 24.108 11.434 10.666 1.00 0.00 H new ATOM 0 HA THR A 125 23.031 8.723 10.039 1.00 0.00 H new ATOM 0 HB THR A 125 22.660 11.335 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.462 11.235 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.641 10.244 7.557 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.152 9.392 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.058 8.731 8.396 1.00 0.00 H new ATOM 2048 N CYS A 126 24.755 8.091 8.344 1.00 0.00 N ATOM 2049 CA CYS A 126 25.459 7.671 7.101 1.00 0.00 C ATOM 2050 C CYS A 126 24.461 7.504 5.915 1.00 0.00 C ATOM 2051 O CYS A 126 23.450 6.804 6.030 1.00 0.00 O ATOM 2052 CB CYS A 126 26.195 6.348 7.373 1.00 0.00 C ATOM 2053 SG CYS A 126 26.984 5.747 5.840 1.00 0.00 S ATOM 0 H CYS A 126 24.455 7.312 8.930 1.00 0.00 H new ATOM 0 HA CYS A 126 26.174 8.443 6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.949 6.494 8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.494 5.602 7.748 1.00 0.00 H new ATOM 0 HG CYS A 126 27.315 6.760 5.096 1.00 0.00 H new ATOM 2059 N LYS A 127 24.761 8.132 4.769 1.00 0.00 N ATOM 2060 CA LYS A 127 23.894 8.072 3.559 1.00 0.00 C ATOM 2061 C LYS A 127 24.546 7.130 2.499 1.00 0.00 C ATOM 2062 O LYS A 127 25.601 7.437 1.933 1.00 0.00 O ATOM 2063 CB LYS A 127 23.638 9.507 3.018 1.00 0.00 C ATOM 2064 CG LYS A 127 22.860 10.445 3.975 1.00 0.00 C ATOM 2065 CD LYS A 127 22.464 11.780 3.318 1.00 0.00 C ATOM 2066 CE LYS A 127 21.691 12.690 4.286 1.00 0.00 C ATOM 2067 NZ LYS A 127 21.318 13.948 3.611 1.00 0.00 N ATOM 0 H LYS A 127 25.603 8.695 4.644 1.00 0.00 H new ATOM 0 HA LYS A 127 22.920 7.652 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.599 9.967 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.086 9.432 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.961 9.936 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.472 10.646 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.361 12.295 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.852 11.584 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.796 12.179 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 127 22.303 12.906 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.796 14.556 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.178 14.440 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.717 13.736 2.789 1.00 0.00 H new ATOM 2080 N GLN A 128 23.931 5.962 2.255 1.00 0.00 N ATOM 2081 CA GLN A 128 24.473 4.922 1.336 1.00 0.00 C ATOM 2082 C GLN A 128 23.510 4.662 0.135 1.00 0.00 C ATOM 2083 O GLN A 128 22.289 4.590 0.302 1.00 0.00 O ATOM 2084 CB GLN A 128 24.729 3.619 2.139 1.00 0.00 C ATOM 2085 CG GLN A 128 25.839 3.714 3.223 1.00 0.00 C ATOM 2086 CD GLN A 128 26.514 2.423 3.702 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.712 2.394 3.951 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.814 1.328 3.877 1.00 0.00 N ATOM 0 H GLN A 128 23.043 5.702 2.684 1.00 0.00 H new ATOM 0 HA GLN A 128 25.414 5.277 0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.798 3.320 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.994 2.827 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.619 4.372 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.408 4.205 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.814 1.325 3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.270 0.480 4.213 1.00 0.00 H new ATOM 2097 N VAL A 129 24.064 4.496 -1.080 1.00 0.00 N ATOM 2098 CA VAL A 129 23.246 4.265 -2.318 1.00 0.00 C ATOM 2099 C VAL A 129 23.696 2.923 -2.984 1.00 0.00 C ATOM 2100 O VAL A 129 24.889 2.686 -3.197 1.00 0.00 O ATOM 2101 CB VAL A 129 23.298 5.479 -3.314 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.341 5.299 -4.519 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.932 6.840 -2.678 1.00 0.00 C ATOM 0 H VAL A 129 25.070 4.515 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 129 22.197 4.182 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 129 24.342 5.489 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.416 6.166 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.616 4.400 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.317 5.204 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.993 7.623 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.917 6.796 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.627 7.062 -1.869 1.00 0.00 H new ATOM 2113 N PHE A 130 22.721 2.069 -3.336 1.00 0.00 N ATOM 2114 CA PHE A 130 22.960 0.743 -3.971 1.00 0.00 C ATOM 2115 C PHE A 130 22.136 0.612 -5.293 1.00 0.00 C ATOM 2116 O PHE A 130 20.961 0.974 -5.325 1.00 0.00 O ATOM 2117 CB PHE A 130 22.526 -0.376 -2.984 1.00 0.00 C ATOM 2118 CG PHE A 130 23.457 -0.709 -1.812 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.541 0.132 -0.698 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.162 -1.915 -1.815 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.329 -0.227 0.393 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.943 -2.278 -0.723 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.024 -1.435 0.383 1.00 0.00 C ATOM 0 H PHE A 130 21.732 2.273 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 130 24.020 0.648 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.557 -0.098 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.377 -1.289 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.993 1.063 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.100 -2.570 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.401 0.431 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.486 -3.212 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.626 -1.718 1.234 1.00 0.00 H new ATOM 2133 N LYS A 131 22.707 0.045 -6.368 1.00 0.00 N ATOM 2134 CA LYS A 131 21.997 -0.128 -7.673 1.00 0.00 C ATOM 2135 C LYS A 131 21.600 -1.611 -7.949 1.00 0.00 C ATOM 2136 O LYS A 131 22.381 -2.533 -7.687 1.00 0.00 O ATOM 2137 CB LYS A 131 22.907 0.452 -8.785 1.00 0.00 C ATOM 2138 CG LYS A 131 22.171 0.762 -10.110 1.00 0.00 C ATOM 2139 CD LYS A 131 23.060 1.481 -11.141 1.00 0.00 C ATOM 2140 CE LYS A 131 22.254 1.926 -12.370 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.138 2.585 -13.350 1.00 0.00 N ATOM 0 H LYS A 131 23.664 -0.308 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 131 21.051 0.412 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.372 1.367 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.711 -0.255 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.805 -0.169 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.298 1.380 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.526 2.350 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.865 0.816 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.771 1.063 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.462 2.611 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.580 2.881 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.580 3.419 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.878 1.920 -13.652 1.00 0.00 H new ATOM 2154 N LYS A 132 20.397 -1.837 -8.515 1.00 0.00 N ATOM 2155 CA LYS A 132 19.896 -3.207 -8.816 1.00 0.00 C ATOM 2156 C LYS A 132 20.611 -3.859 -10.041 1.00 0.00 C ATOM 2157 O LYS A 132 20.556 -3.339 -11.160 1.00 0.00 O ATOM 2158 CB LYS A 132 18.356 -3.165 -9.030 1.00 0.00 C ATOM 2159 CG LYS A 132 17.662 -4.502 -8.681 1.00 0.00 C ATOM 2160 CD LYS A 132 16.126 -4.431 -8.778 1.00 0.00 C ATOM 2161 CE LYS A 132 15.475 -5.691 -8.188 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.004 -5.594 -8.211 1.00 0.00 N ATOM 0 H LYS A 132 19.750 -1.093 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 132 20.129 -3.837 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.931 -2.370 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.146 -2.913 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.027 -5.279 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.943 -4.797 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.766 -3.550 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.829 -4.319 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.793 -6.566 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.816 -5.833 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.598 -6.334 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.712 -4.659 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.663 -5.721 -9.185 1.00 0.00 H new ATOM 2175 N VAL A 133 21.255 -5.011 -9.812 1.00 0.00 N ATOM 2176 CA VAL A 133 21.910 -5.820 -10.893 1.00 0.00 C ATOM 2177 C VAL A 133 21.101 -7.106 -11.281 1.00 0.00 C ATOM 2178 O VAL A 133 20.991 -7.402 -12.473 1.00 0.00 O ATOM 2179 CB VAL A 133 23.430 -6.082 -10.610 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.261 -4.781 -10.553 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.742 -6.889 -9.334 1.00 0.00 C ATOM 0 H VAL A 133 21.346 -5.422 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 133 21.887 -5.204 -11.792 1.00 0.00 H new ATOM 0 HB VAL A 133 23.717 -6.691 -11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.305 -5.024 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.185 -4.259 -11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.880 -4.141 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.821 -7.012 -9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.356 -6.358 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.270 -7.869 -9.399 1.00 0.00 H new ATOM 2191 N HIS A 134 20.526 -7.853 -10.313 1.00 0.00 N ATOM 2192 CA HIS A 134 19.543 -8.931 -10.596 1.00 0.00 C ATOM 2193 C HIS A 134 18.139 -8.424 -10.183 1.00 0.00 C ATOM 2194 O HIS A 134 17.873 -8.252 -8.971 1.00 0.00 O ATOM 2195 CB HIS A 134 19.995 -10.220 -9.862 1.00 0.00 C ATOM 2196 CG HIS A 134 19.187 -11.472 -10.192 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.208 -11.996 -9.372 1.00 0.00 N ATOM 2198 CD2 HIS A 134 19.322 -12.267 -11.343 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.826 -13.080 -10.118 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.433 -13.334 -11.322 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.297 -8.196 -11.080 1.00 0.00 O ATOM 0 H HIS A 134 20.726 -7.730 -9.320 1.00 0.00 H new ATOM 0 HA HIS A 134 19.490 -9.183 -11.655 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.041 -10.408 -10.103 1.00 0.00 H new ATOM 0 HB3 HIS A 134 19.941 -10.045 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.025 -12.074 -12.140 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.046 -13.735 -9.758 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.278 -14.082 -11.998 1.00 0.00 H new