USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 50 ASN : amide:sc= -1.3 K(o=-0.46,f=-5.9!) USER MOD Set 1.2: A 94 TYR OH : rot -100:sc= 0.837 USER MOD Set 2.1: A 86 SER OG : rot 75:sc= -1.93! USER MOD Set 2.2: A 87 ASN : amide:sc= -0.735 X(o=-2.7,f=-2.8!) USER MOD Set 3.1: A 51 SER OG : rot 100:sc= 0.0257 USER MOD Set 3.2: A 84 THR OG1 : rot -159:sc= -5.75! USER MOD Set 4.1: A 47 TYR OH : rot 120:sc= -4.26! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -2.03! C(o=-6.3!,f=-8.8!) USER MOD Set 5.1: A 16 MET CE :methyl 165:sc= -12.7! (180deg=-9.59!) USER MOD Set 5.2: A 144 THR OG1 : rot -131:sc= -4.71! USER MOD Set 6.1: A 3 HIS : no HD1:sc= -10.2! C(o=-12!,f=-6.6!) USER MOD Set 6.2: A 13 SER OG : rot 180:sc= -1.71 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 8 SER OG : rot -46:sc= 1.11 USER MOD Single : A 12 TYR OH : rot 2:sc= -3.71! USER MOD Single : A 17 GLN : amide:sc=-7.37e-05 X(o=-7.4e-05,f=-0.073) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.1!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.11 (180deg=-0.482) USER MOD Single : A 26 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.5!) USER MOD Single : A 27 MET CE :methyl 156:sc= -6.6! (180deg=-8.79!) USER MOD Single : A 30 THR OG1 : rot 130:sc= -6.3! USER MOD Single : A 34 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.21) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00548 X(o=-0.0055,f=-0.0055) USER MOD Single : A 45 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 144:sc= 0.146 USER MOD Single : A 52 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.89) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -6.73! C(o=-6.7!,f=-5.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 62:sc= 0.0522 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 26:sc= 0.597 USER MOD Single : A 85 THR OG1 : rot 80:sc= -2.2! USER MOD Single : A 88 TYR OH : rot 137:sc= 0.0131 USER MOD Single : A 90 GLN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 16:sc= -1.78! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 9:sc= 0.163 USER MOD Single : A 110 ASN : amide:sc= -3.06! C(o=-3.1!,f=-11!) USER MOD Single : A 111 SER OG : rot 145:sc= -2.56! USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-1.3) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 124 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.8!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.22) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 62:sc= 0.347 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= -0.82 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -154:sc=-2.08e-05 (180deg=-0.0655) USER MOD Single : A 145 THR OG1 : rot -80:sc= -0.444 USER MOD Single : A 146 GLN : amide:sc=-0.000165 X(o=-0.00016,f=0) USER MOD Single : A 147 ASN : amide:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ -158:sc= -0.796 (180deg=-2.08!) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 8.076 -2.984 18.435 1.00 0.00 N ATOM 32 CA HIS A 3 7.018 -3.818 17.876 1.00 0.00 C ATOM 33 C HIS A 3 5.643 -3.256 18.218 1.00 0.00 C ATOM 34 O HIS A 3 5.499 -2.459 19.145 1.00 0.00 O ATOM 35 CB HIS A 3 7.134 -5.250 18.404 1.00 0.00 C ATOM 36 CG HIS A 3 7.735 -6.207 17.423 1.00 0.00 C ATOM 37 ND1 HIS A 3 8.634 -5.824 16.450 1.00 0.00 N ATOM 38 CD2 HIS A 3 7.564 -7.542 17.271 1.00 0.00 C ATOM 39 CE1 HIS A 3 8.988 -6.883 15.741 1.00 0.00 C ATOM 40 NE2 HIS A 3 8.353 -7.936 16.220 1.00 0.00 N ATOM 0 HA HIS A 3 7.133 -3.824 16.792 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.739 -5.245 19.311 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.143 -5.606 18.684 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.925 -8.178 17.866 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.679 -6.886 14.911 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.435 -8.889 15.866 1.00 0.00 H new ATOM 49 N CYS A 4 4.633 -3.680 17.466 1.00 0.00 N ATOM 50 CA CYS A 4 3.268 -3.223 17.691 1.00 0.00 C ATOM 51 C CYS A 4 2.295 -4.396 17.667 1.00 0.00 C ATOM 52 O CYS A 4 1.743 -4.737 16.619 1.00 0.00 O ATOM 53 CB CYS A 4 2.870 -2.191 16.636 1.00 0.00 C ATOM 54 SG CYS A 4 3.785 -0.620 16.751 1.00 0.00 S ATOM 0 H CYS A 4 4.735 -4.340 16.695 1.00 0.00 H new ATOM 0 HA CYS A 4 3.224 -2.756 18.675 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.028 -2.619 15.646 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.803 -1.986 16.728 1.00 0.00 H new ATOM 59 N VAL A 5 2.092 -5.013 18.826 1.00 0.00 N ATOM 60 CA VAL A 5 1.189 -6.150 18.939 1.00 0.00 C ATOM 61 C VAL A 5 -0.261 -5.694 19.063 1.00 0.00 C ATOM 62 O VAL A 5 -0.615 -4.960 19.985 1.00 0.00 O ATOM 63 CB VAL A 5 1.549 -7.033 20.148 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.995 -8.438 19.969 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.057 -7.067 20.352 1.00 0.00 C ATOM 0 H VAL A 5 2.542 -4.744 19.701 1.00 0.00 H new ATOM 0 HA VAL A 5 1.301 -6.736 18.027 1.00 0.00 H new ATOM 0 HB VAL A 5 1.094 -6.601 21.039 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.260 -9.046 20.834 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.090 -8.392 19.876 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.418 -8.884 19.068 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.294 -7.695 21.210 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.536 -7.474 19.461 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.423 -6.056 20.531 1.00 0.00 H new ATOM 75 N THR A 6 -1.094 -6.133 18.125 1.00 0.00 N ATOM 76 CA THR A 6 -2.506 -5.767 18.126 1.00 0.00 C ATOM 77 C THR A 6 -3.376 -6.932 18.583 1.00 0.00 C ATOM 78 O THR A 6 -3.309 -8.028 18.026 1.00 0.00 O ATOM 79 CB THR A 6 -2.973 -5.306 16.731 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.300 -5.783 16.476 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.032 -5.811 15.648 1.00 0.00 C ATOM 0 H THR A 6 -0.816 -6.742 17.355 1.00 0.00 H new ATOM 0 HA THR A 6 -2.615 -4.939 18.826 1.00 0.00 H new ATOM 0 HB THR A 6 -2.968 -4.216 16.714 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.590 -5.485 15.589 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.384 -5.472 14.673 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.029 -5.423 15.827 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.008 -6.901 15.666 1.00 0.00 H new ATOM 89 N ASP A 7 -4.193 -6.687 19.603 1.00 0.00 N ATOM 90 CA ASP A 7 -5.078 -7.715 20.139 1.00 0.00 C ATOM 91 C ASP A 7 -4.276 -8.866 20.734 1.00 0.00 C ATOM 92 O ASP A 7 -4.828 -9.920 21.053 1.00 0.00 O ATOM 93 CB ASP A 7 -6.008 -8.238 19.043 1.00 0.00 C ATOM 94 CG ASP A 7 -6.262 -7.208 17.958 1.00 0.00 C ATOM 95 OD1 ASP A 7 -6.582 -6.051 18.302 1.00 0.00 O ATOM 96 OD2 ASP A 7 -6.139 -7.559 16.766 1.00 0.00 O ATOM 0 H ASP A 7 -4.260 -5.785 20.075 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.678 -7.267 20.931 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.572 -9.132 18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.958 -8.535 19.488 1.00 0.00 H new ATOM 101 N SER A 8 -2.970 -8.662 20.877 1.00 0.00 N ATOM 102 CA SER A 8 -2.094 -9.687 21.431 1.00 0.00 C ATOM 103 C SER A 8 -2.104 -10.933 20.555 1.00 0.00 C ATOM 104 O SER A 8 -1.890 -12.045 21.037 1.00 0.00 O ATOM 105 CB SER A 8 -2.527 -10.044 22.855 1.00 0.00 C ATOM 106 OG SER A 8 -1.668 -11.019 23.420 1.00 0.00 O ATOM 0 H SER A 8 -2.496 -7.797 20.617 1.00 0.00 H new ATOM 0 HA SER A 8 -1.079 -9.290 21.459 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.523 -9.148 23.475 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.550 -10.419 22.844 1.00 0.00 H new ATOM 0 HG SER A 8 -1.519 -11.739 22.772 1.00 0.00 H new ATOM 112 N GLY A 9 -2.357 -10.738 19.266 1.00 0.00 N ATOM 113 CA GLY A 9 -2.393 -11.855 18.342 1.00 0.00 C ATOM 114 C GLY A 9 -1.592 -11.594 17.081 1.00 0.00 C ATOM 115 O GLY A 9 -1.013 -12.516 16.506 1.00 0.00 O ATOM 0 H GLY A 9 -2.538 -9.827 18.845 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.004 -12.745 18.838 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.428 -12.067 18.073 1.00 0.00 H new ATOM 119 N VAL A 10 -1.562 -10.337 16.647 1.00 0.00 N ATOM 120 CA VAL A 10 -0.827 -9.967 15.444 1.00 0.00 C ATOM 121 C VAL A 10 0.147 -8.830 15.725 1.00 0.00 C ATOM 122 O VAL A 10 -0.259 -7.683 15.917 1.00 0.00 O ATOM 123 CB VAL A 10 -1.776 -9.544 14.304 1.00 0.00 C ATOM 124 CG1 VAL A 10 -1.365 -10.205 12.997 1.00 0.00 C ATOM 125 CG2 VAL A 10 -3.221 -9.877 14.647 1.00 0.00 C ATOM 0 H VAL A 10 -2.036 -9.561 17.109 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.273 -10.852 15.131 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.701 -8.463 14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.045 -9.896 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.349 -9.905 12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.406 -11.288 13.108 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.870 -9.569 13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.320 -10.951 14.804 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.510 -9.350 15.556 1.00 0.00 H new ATOM 135 N VAL A 11 1.433 -9.156 15.746 1.00 0.00 N ATOM 136 CA VAL A 11 2.468 -8.163 16.002 1.00 0.00 C ATOM 137 C VAL A 11 3.150 -7.743 14.706 1.00 0.00 C ATOM 138 O VAL A 11 3.391 -8.565 13.822 1.00 0.00 O ATOM 139 CB VAL A 11 3.521 -8.699 16.994 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.826 -10.160 16.703 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.791 -7.859 16.951 1.00 0.00 C ATOM 0 H VAL A 11 1.784 -10.101 15.589 1.00 0.00 H new ATOM 0 HA VAL A 11 1.983 -7.293 16.445 1.00 0.00 H new ATOM 0 HB VAL A 11 3.110 -8.627 18.001 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.571 -10.524 17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.914 -10.749 16.801 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.213 -10.256 15.688 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.516 -8.259 17.660 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.212 -7.888 15.946 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.555 -6.828 17.216 1.00 0.00 H new ATOM 151 N TYR A 12 3.453 -6.455 14.599 1.00 0.00 N ATOM 152 CA TYR A 12 4.101 -5.917 13.412 1.00 0.00 C ATOM 153 C TYR A 12 5.237 -4.974 13.791 1.00 0.00 C ATOM 154 O TYR A 12 5.023 -3.969 14.469 1.00 0.00 O ATOM 155 CB TYR A 12 3.076 -5.185 12.547 1.00 0.00 C ATOM 156 CG TYR A 12 1.891 -6.045 12.173 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.975 -6.952 11.127 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.692 -5.954 12.870 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.897 -7.745 10.780 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.391 -6.744 12.531 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.283 -7.638 11.485 1.00 0.00 C ATOM 162 OH TYR A 12 -1.359 -8.424 11.143 1.00 0.00 O ATOM 0 H TYR A 12 3.259 -5.763 15.323 1.00 0.00 H new ATOM 0 HA TYR A 12 4.523 -6.746 12.845 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.723 -4.303 13.081 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.563 -4.833 11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.898 -7.040 10.574 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.605 -5.255 13.689 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.979 -8.444 9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.316 -6.662 13.082 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.108 -9.018 10.405 1.00 0.00 H new ATOM 172 N SER A 13 6.447 -5.304 13.350 1.00 0.00 N ATOM 173 CA SER A 13 7.617 -4.487 13.643 1.00 0.00 C ATOM 174 C SER A 13 7.487 -3.106 13.010 1.00 0.00 C ATOM 175 O SER A 13 6.659 -2.894 12.125 1.00 0.00 O ATOM 176 CB SER A 13 8.887 -5.175 13.138 1.00 0.00 C ATOM 177 OG SER A 13 9.962 -4.989 14.042 1.00 0.00 O ATOM 0 H SER A 13 6.642 -6.133 12.788 1.00 0.00 H new ATOM 0 HA SER A 13 7.684 -4.367 14.724 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.699 -6.241 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.157 -4.775 12.160 1.00 0.00 H new ATOM 0 HG SER A 13 10.761 -5.440 13.697 1.00 0.00 H new ATOM 183 N VAL A 14 8.312 -2.172 13.469 1.00 0.00 N ATOM 184 CA VAL A 14 8.291 -0.815 12.951 1.00 0.00 C ATOM 185 C VAL A 14 8.360 -0.807 11.429 1.00 0.00 C ATOM 186 O VAL A 14 8.472 -1.858 10.798 1.00 0.00 O ATOM 187 CB VAL A 14 9.459 0.009 13.519 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.583 -0.225 15.016 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.758 -0.333 12.807 1.00 0.00 C ATOM 0 H VAL A 14 9.004 -2.333 14.201 1.00 0.00 H new ATOM 0 HA VAL A 14 7.350 -0.363 13.265 1.00 0.00 H new ATOM 0 HB VAL A 14 9.255 1.066 13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.413 0.363 15.409 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.659 0.077 15.509 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.766 -1.283 15.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.570 0.262 13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.978 -1.392 12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.659 -0.114 11.744 1.00 0.00 H new ATOM 199 N GLY A 15 8.284 0.384 10.841 1.00 0.00 N ATOM 200 CA GLY A 15 8.331 0.495 9.397 1.00 0.00 C ATOM 201 C GLY A 15 7.589 -0.637 8.716 1.00 0.00 C ATOM 202 O GLY A 15 7.940 -1.042 7.609 1.00 0.00 O ATOM 0 H GLY A 15 8.191 1.270 11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.898 1.448 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.370 0.498 9.067 1.00 0.00 H new ATOM 206 N MET A 16 6.561 -1.153 9.386 1.00 0.00 N ATOM 207 CA MET A 16 5.768 -2.251 8.842 1.00 0.00 C ATOM 208 C MET A 16 4.300 -1.858 8.718 1.00 0.00 C ATOM 209 O MET A 16 3.617 -1.644 9.719 1.00 0.00 O ATOM 210 CB MET A 16 5.902 -3.491 9.728 1.00 0.00 C ATOM 211 CG MET A 16 5.488 -4.779 9.038 1.00 0.00 C ATOM 212 SD MET A 16 5.682 -6.227 10.093 1.00 0.00 S ATOM 213 CE MET A 16 6.516 -7.352 8.976 1.00 0.00 C ATOM 0 H MET A 16 6.259 -0.829 10.305 1.00 0.00 H new ATOM 0 HA MET A 16 6.148 -2.479 7.846 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.937 -3.582 10.058 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.293 -3.356 10.622 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.447 -4.700 8.724 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.084 -4.910 8.135 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.940 -8.180 9.543 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.802 -7.738 8.249 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.314 -6.823 8.455 1.00 0.00 H new ATOM 223 N GLN A 17 3.820 -1.768 7.481 1.00 0.00 N ATOM 224 CA GLN A 17 2.432 -1.400 7.225 1.00 0.00 C ATOM 225 C GLN A 17 1.539 -2.636 7.180 1.00 0.00 C ATOM 226 O GLN A 17 1.981 -3.722 6.801 1.00 0.00 O ATOM 227 CB GLN A 17 2.322 -0.630 5.907 1.00 0.00 C ATOM 228 CG GLN A 17 3.526 0.249 5.611 1.00 0.00 C ATOM 229 CD GLN A 17 3.759 0.438 4.126 1.00 0.00 C ATOM 230 OE1 GLN A 17 2.866 0.869 3.395 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.964 0.116 3.670 1.00 0.00 N ATOM 0 H GLN A 17 4.371 -1.945 6.641 1.00 0.00 H new ATOM 0 HA GLN A 17 2.096 -0.761 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.193 -1.341 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.427 -0.008 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.384 1.223 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.414 -0.195 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.674 -0.238 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.179 0.222 2.679 1.00 0.00 H new ATOM 240 N TRP A 18 0.280 -2.464 7.567 1.00 0.00 N ATOM 241 CA TRP A 18 -0.678 -3.564 7.571 1.00 0.00 C ATOM 242 C TRP A 18 -2.110 -3.038 7.538 1.00 0.00 C ATOM 243 O TRP A 18 -2.553 -2.357 8.462 1.00 0.00 O ATOM 244 CB TRP A 18 -0.472 -4.447 8.802 1.00 0.00 C ATOM 245 CG TRP A 18 -1.003 -3.844 10.066 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.291 -3.884 10.516 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.258 -3.111 11.045 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.393 -3.221 11.716 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.158 -2.739 12.062 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.084 -2.735 11.162 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.759 -2.009 13.179 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.478 -2.012 12.271 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.560 -1.656 13.267 1.00 0.00 C ATOM 0 H TRP A 18 -0.102 -1.572 7.882 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.509 -4.162 6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.958 -5.408 8.635 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.593 -4.645 8.923 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.111 -4.366 10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.248 -3.107 12.260 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.799 -3.005 10.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.465 -1.732 13.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.512 -1.716 12.372 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.900 -1.091 14.122 1.00 0.00 H new ATOM 264 N LEU A 19 -2.827 -3.360 6.467 1.00 0.00 N ATOM 265 CA LEU A 19 -4.209 -2.922 6.310 1.00 0.00 C ATOM 266 C LEU A 19 -5.034 -3.280 7.540 1.00 0.00 C ATOM 267 O LEU A 19 -4.640 -4.127 8.340 1.00 0.00 O ATOM 268 CB LEU A 19 -4.829 -3.554 5.063 1.00 0.00 C ATOM 269 CG LEU A 19 -5.455 -2.565 4.079 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.376 -1.744 3.390 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.307 -3.298 3.055 1.00 0.00 C ATOM 0 H LEU A 19 -2.473 -3.924 5.694 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.210 -1.838 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.059 -4.123 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.594 -4.265 5.376 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.099 -1.885 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.840 -1.046 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.809 -1.189 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.705 -2.409 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.744 -2.578 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.685 -4.002 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.103 -3.840 3.565 1.00 0.00 H new ATOM 283 N LYS A 20 -6.184 -2.628 7.686 1.00 0.00 N ATOM 284 CA LYS A 20 -7.065 -2.877 8.820 1.00 0.00 C ATOM 285 C LYS A 20 -8.517 -2.582 8.458 1.00 0.00 C ATOM 286 O LYS A 20 -8.896 -1.428 8.264 1.00 0.00 O ATOM 287 CB LYS A 20 -6.641 -2.026 10.018 1.00 0.00 C ATOM 288 CG LYS A 20 -5.562 -2.674 10.870 1.00 0.00 C ATOM 289 CD LYS A 20 -6.032 -3.998 11.449 1.00 0.00 C ATOM 290 CE LYS A 20 -4.965 -5.073 11.320 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.387 -6.354 11.951 1.00 0.00 N ATOM 0 H LYS A 20 -6.526 -1.924 7.033 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.985 -3.931 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.280 -1.062 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.514 -1.828 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.669 -2.836 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.282 -2.000 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.291 -3.865 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.938 -4.320 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.746 -5.243 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.042 -4.726 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.632 -7.060 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.571 -6.199 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.253 -6.699 11.490 1.00 0.00 H new ATOM 305 N THR A 21 -9.325 -3.633 8.370 1.00 0.00 N ATOM 306 CA THR A 21 -10.735 -3.487 8.032 1.00 0.00 C ATOM 307 C THR A 21 -11.530 -2.944 9.215 1.00 0.00 C ATOM 308 O THR A 21 -12.269 -3.679 9.870 1.00 0.00 O ATOM 309 CB THR A 21 -11.349 -4.830 7.591 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.314 -5.728 7.175 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.336 -4.623 6.452 1.00 0.00 C ATOM 0 H THR A 21 -9.027 -4.596 8.528 1.00 0.00 H new ATOM 0 HA THR A 21 -10.790 -2.780 7.204 1.00 0.00 H new ATOM 0 HB THR A 21 -11.881 -5.259 8.440 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.712 -6.580 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.757 -5.584 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.137 -3.961 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.822 -4.175 5.602 1.00 0.00 H new ATOM 319 N GLN A 22 -11.373 -1.651 9.482 1.00 0.00 N ATOM 320 CA GLN A 22 -12.078 -1.008 10.585 1.00 0.00 C ATOM 321 C GLN A 22 -13.547 -0.789 10.239 1.00 0.00 C ATOM 322 O GLN A 22 -13.884 0.095 9.451 1.00 0.00 O ATOM 323 CB GLN A 22 -11.418 0.328 10.929 1.00 0.00 C ATOM 324 CG GLN A 22 -10.981 0.436 12.380 1.00 0.00 C ATOM 325 CD GLN A 22 -12.050 1.045 13.267 1.00 0.00 C ATOM 326 OE1 GLN A 22 -13.201 0.610 13.260 1.00 0.00 O ATOM 327 NE2 GLN A 22 -11.673 2.060 14.036 1.00 0.00 N ATOM 0 H GLN A 22 -10.764 -1.029 8.950 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.023 -1.667 11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.550 0.471 10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.116 1.136 10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.726 -0.556 12.754 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.077 1.042 12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.708 2.388 14.010 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.349 2.511 14.653 1.00 0.00 H new ATOM 336 N GLY A 23 -14.416 -1.599 10.833 1.00 0.00 N ATOM 337 CA GLY A 23 -15.840 -1.478 10.575 1.00 0.00 C ATOM 338 C GLY A 23 -16.235 -2.050 9.228 1.00 0.00 C ATOM 339 O GLY A 23 -16.619 -3.216 9.129 1.00 0.00 O ATOM 0 H GLY A 23 -14.161 -2.337 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.394 -1.992 11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.126 -0.427 10.618 1.00 0.00 H new ATOM 343 N ASN A 24 -16.140 -1.228 8.187 1.00 0.00 N ATOM 344 CA ASN A 24 -16.492 -1.659 6.839 1.00 0.00 C ATOM 345 C ASN A 24 -15.511 -1.095 5.816 1.00 0.00 C ATOM 346 O ASN A 24 -15.889 -0.781 4.688 1.00 0.00 O ATOM 347 CB ASN A 24 -17.916 -1.219 6.495 1.00 0.00 C ATOM 348 CG ASN A 24 -18.129 0.267 6.708 1.00 0.00 C ATOM 349 OD1 ASN A 24 -17.406 1.095 6.153 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.125 0.613 7.514 1.00 0.00 N ATOM 0 H ASN A 24 -15.822 -0.261 8.251 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.439 -2.747 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.129 -1.469 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.624 -1.776 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.316 1.599 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.699 -0.107 7.953 1.00 0.00 H new ATOM 357 N LYS A 25 -14.250 -0.971 6.217 1.00 0.00 N ATOM 358 CA LYS A 25 -13.216 -0.446 5.335 1.00 0.00 C ATOM 359 C LYS A 25 -11.825 -0.763 5.877 1.00 0.00 C ATOM 360 O LYS A 25 -11.627 -0.855 7.088 1.00 0.00 O ATOM 361 CB LYS A 25 -13.378 1.066 5.168 1.00 0.00 C ATOM 362 CG LYS A 25 -13.431 1.821 6.486 1.00 0.00 C ATOM 363 CD LYS A 25 -13.497 3.324 6.266 1.00 0.00 C ATOM 364 CE LYS A 25 -13.650 4.074 7.579 1.00 0.00 C ATOM 365 NZ LYS A 25 -12.861 3.445 8.674 1.00 0.00 N ATOM 0 H LYS A 25 -13.920 -1.227 7.148 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.325 -0.926 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.549 1.448 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.291 1.266 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.301 1.497 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.551 1.578 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.592 3.658 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.336 3.560 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.328 5.107 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.703 4.102 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.754 4.121 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.356 2.596 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.922 3.178 8.316 1.00 0.00 H new ATOM 379 N GLN A 26 -10.867 -0.929 4.971 1.00 0.00 N ATOM 380 CA GLN A 26 -9.495 -1.236 5.359 1.00 0.00 C ATOM 381 C GLN A 26 -8.690 0.042 5.567 1.00 0.00 C ATOM 382 O GLN A 26 -8.797 0.989 4.789 1.00 0.00 O ATOM 383 CB GLN A 26 -8.825 -2.107 4.294 1.00 0.00 C ATOM 384 CG GLN A 26 -9.659 -3.306 3.876 1.00 0.00 C ATOM 385 CD GLN A 26 -9.221 -3.886 2.545 1.00 0.00 C ATOM 386 OE1 GLN A 26 -9.386 -3.261 1.498 1.00 0.00 O ATOM 387 NE2 GLN A 26 -8.660 -5.089 2.580 1.00 0.00 N ATOM 0 H GLN A 26 -11.015 -0.856 3.964 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.524 -1.783 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.616 -1.496 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.865 -2.457 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.591 -4.077 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.706 -3.011 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.543 -5.571 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.346 -5.531 1.716 1.00 0.00 H new ATOM 396 N MET A 27 -7.882 0.060 6.623 1.00 0.00 N ATOM 397 CA MET A 27 -7.057 1.222 6.934 1.00 0.00 C ATOM 398 C MET A 27 -5.581 0.842 6.986 1.00 0.00 C ATOM 399 O MET A 27 -5.202 -0.129 7.642 1.00 0.00 O ATOM 400 CB MET A 27 -7.486 1.836 8.267 1.00 0.00 C ATOM 401 CG MET A 27 -8.744 2.683 8.171 1.00 0.00 C ATOM 402 SD MET A 27 -8.793 3.997 9.405 1.00 0.00 S ATOM 403 CE MET A 27 -7.833 5.268 8.587 1.00 0.00 C ATOM 0 H MET A 27 -7.781 -0.716 7.277 1.00 0.00 H new ATOM 0 HA MET A 27 -7.196 1.958 6.142 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.651 1.036 8.989 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.673 2.451 8.652 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.806 3.122 7.175 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.618 2.043 8.292 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.110 6.245 8.984 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.772 5.092 8.763 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.032 5.242 7.516 1.00 0.00 H new ATOM 413 N LEU A 28 -4.751 1.614 6.291 1.00 0.00 N ATOM 414 CA LEU A 28 -3.316 1.360 6.260 1.00 0.00 C ATOM 415 C LEU A 28 -2.688 1.612 7.626 1.00 0.00 C ATOM 416 O LEU A 28 -2.380 2.751 7.977 1.00 0.00 O ATOM 417 CB LEU A 28 -2.643 2.240 5.205 1.00 0.00 C ATOM 418 CG LEU A 28 -1.452 1.599 4.491 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.930 0.582 3.466 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.592 2.664 3.829 1.00 0.00 C ATOM 0 H LEU A 28 -5.048 2.421 5.742 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.164 0.313 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.387 2.520 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.308 3.161 5.682 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.844 1.079 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.069 0.136 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.504 -0.198 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.560 1.078 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.251 2.190 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.189 3.212 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.221 3.354 4.586 1.00 0.00 H new ATOM 432 N CYS A 29 -2.502 0.543 8.394 1.00 0.00 N ATOM 433 CA CYS A 29 -1.911 0.649 9.722 1.00 0.00 C ATOM 434 C CYS A 29 -0.469 0.154 9.719 1.00 0.00 C ATOM 435 O CYS A 29 -0.207 -1.022 9.467 1.00 0.00 O ATOM 436 CB CYS A 29 -2.735 -0.148 10.735 1.00 0.00 C ATOM 437 SG CYS A 29 -4.452 0.431 10.919 1.00 0.00 S ATOM 0 H CYS A 29 -2.752 -0.407 8.119 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.913 1.700 10.009 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.747 -1.195 10.434 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.241 -0.101 11.706 1.00 0.00 H new ATOM 442 N THR A 30 0.463 1.058 10.000 1.00 0.00 N ATOM 443 CA THR A 30 1.879 0.714 10.028 1.00 0.00 C ATOM 444 C THR A 30 2.497 1.039 11.382 1.00 0.00 C ATOM 445 O THR A 30 2.141 2.033 12.015 1.00 0.00 O ATOM 446 CB THR A 30 2.663 1.460 8.932 1.00 0.00 C ATOM 447 OG1 THR A 30 2.010 1.304 7.666 1.00 0.00 O ATOM 448 CG2 THR A 30 4.090 0.944 8.839 1.00 0.00 C ATOM 0 H THR A 30 0.263 2.035 10.212 1.00 0.00 H new ATOM 0 HA THR A 30 1.944 -0.359 9.846 1.00 0.00 H new ATOM 0 HB THR A 30 2.693 2.517 9.196 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.900 2.182 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.623 1.486 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.594 1.094 9.794 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.078 -0.119 8.598 1.00 0.00 H new ATOM 456 N CYS A 31 3.429 0.200 11.816 1.00 0.00 N ATOM 457 CA CYS A 31 4.104 0.400 13.091 1.00 0.00 C ATOM 458 C CYS A 31 5.433 1.117 12.886 1.00 0.00 C ATOM 459 O CYS A 31 6.182 0.801 11.963 1.00 0.00 O ATOM 460 CB CYS A 31 4.337 -0.941 13.789 1.00 0.00 C ATOM 461 SG CYS A 31 5.250 -0.812 15.360 1.00 0.00 S ATOM 0 H CYS A 31 3.735 -0.627 11.303 1.00 0.00 H new ATOM 0 HA CYS A 31 3.465 1.019 13.721 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.373 -1.412 13.979 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.886 -1.599 13.115 1.00 0.00 H new ATOM 466 N LEU A 32 5.717 2.086 13.750 1.00 0.00 N ATOM 467 CA LEU A 32 6.957 2.849 13.660 1.00 0.00 C ATOM 468 C LEU A 32 7.427 3.288 15.044 1.00 0.00 C ATOM 469 O LEU A 32 6.886 2.854 16.060 1.00 0.00 O ATOM 470 CB LEU A 32 6.762 4.072 12.763 1.00 0.00 C ATOM 471 CG LEU A 32 6.327 3.762 11.329 1.00 0.00 C ATOM 472 CD1 LEU A 32 5.286 4.766 10.858 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.528 3.758 10.396 1.00 0.00 C ATOM 0 H LEU A 32 5.107 2.361 14.519 1.00 0.00 H new ATOM 0 HA LEU A 32 7.721 2.205 13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.017 4.723 13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.697 4.632 12.730 1.00 0.00 H new ATOM 0 HG LEU A 32 5.877 2.769 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.989 4.530 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.414 4.719 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.709 5.770 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.199 3.536 9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.008 4.737 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.239 2.999 10.722 1.00 0.00 H new ATOM 485 N GLY A 33 8.436 4.151 15.074 1.00 0.00 N ATOM 486 CA GLY A 33 8.962 4.633 16.337 1.00 0.00 C ATOM 487 C GLY A 33 8.102 5.726 16.943 1.00 0.00 C ATOM 488 O GLY A 33 8.473 6.328 17.951 1.00 0.00 O ATOM 0 H GLY A 33 8.899 4.525 14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.035 3.801 17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.973 5.012 16.186 1.00 0.00 H new ATOM 492 N ASN A 34 6.953 5.982 16.327 1.00 0.00 N ATOM 493 CA ASN A 34 6.038 7.009 16.812 1.00 0.00 C ATOM 494 C ASN A 34 4.715 6.394 17.257 1.00 0.00 C ATOM 495 O ASN A 34 4.046 6.914 18.149 1.00 0.00 O ATOM 496 CB ASN A 34 5.788 8.053 15.723 1.00 0.00 C ATOM 497 CG ASN A 34 5.918 9.472 16.241 1.00 0.00 C ATOM 498 OD1 ASN A 34 5.501 9.779 17.357 1.00 0.00 O ATOM 499 ND2 ASN A 34 6.501 10.347 15.430 1.00 0.00 N ATOM 0 H ASN A 34 6.633 5.493 15.491 1.00 0.00 H new ATOM 0 HA ASN A 34 6.499 7.494 17.672 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.496 7.900 14.908 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.790 7.910 15.309 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.617 11.317 15.725 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.832 10.050 14.512 1.00 0.00 H new ATOM 506 N GLY A 35 4.345 5.282 16.628 1.00 0.00 N ATOM 507 CA GLY A 35 3.104 4.615 16.973 1.00 0.00 C ATOM 508 C GLY A 35 2.446 3.958 15.776 1.00 0.00 C ATOM 509 O GLY A 35 2.854 4.180 14.636 1.00 0.00 O ATOM 0 H GLY A 35 4.882 4.832 15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.300 3.861 17.735 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.416 5.338 17.410 1.00 0.00 H new ATOM 513 N VAL A 36 1.425 3.147 16.034 1.00 0.00 N ATOM 514 CA VAL A 36 0.710 2.455 14.968 1.00 0.00 C ATOM 515 C VAL A 36 -0.198 3.413 14.206 1.00 0.00 C ATOM 516 O VAL A 36 -1.374 3.565 14.537 1.00 0.00 O ATOM 517 CB VAL A 36 -0.137 1.293 15.522 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.068 0.750 14.449 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.758 0.192 16.070 1.00 0.00 C ATOM 0 H VAL A 36 1.074 2.953 16.972 1.00 0.00 H new ATOM 0 HA VAL A 36 1.463 2.054 14.289 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.748 1.673 16.341 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.658 -0.070 14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.735 1.543 14.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.480 0.387 13.606 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.141 -0.619 16.457 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.398 -0.187 15.273 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.377 0.592 16.873 1.00 0.00 H new ATOM 529 N SER A 37 0.354 4.055 13.182 1.00 0.00 N ATOM 530 CA SER A 37 -0.408 4.998 12.370 1.00 0.00 C ATOM 531 C SER A 37 -1.299 4.262 11.375 1.00 0.00 C ATOM 532 O SER A 37 -0.840 3.377 10.653 1.00 0.00 O ATOM 533 CB SER A 37 0.538 5.942 11.625 1.00 0.00 C ATOM 534 OG SER A 37 -0.073 7.201 11.398 1.00 0.00 O ATOM 0 H SER A 37 1.326 3.940 12.894 1.00 0.00 H new ATOM 0 HA SER A 37 -1.043 5.583 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.452 6.077 12.203 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.826 5.497 10.673 1.00 0.00 H new ATOM 0 HG SER A 37 0.552 7.787 10.922 1.00 0.00 H new ATOM 540 N CYS A 38 -2.574 4.634 11.343 1.00 0.00 N ATOM 541 CA CYS A 38 -3.530 4.008 10.436 1.00 0.00 C ATOM 542 C CYS A 38 -4.028 5.004 9.393 1.00 0.00 C ATOM 543 O CYS A 38 -4.244 6.178 9.695 1.00 0.00 O ATOM 544 CB CYS A 38 -4.713 3.439 11.221 1.00 0.00 C ATOM 545 SG CYS A 38 -4.305 1.976 12.227 1.00 0.00 S ATOM 0 H CYS A 38 -2.970 5.365 11.934 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.021 3.195 9.919 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.109 4.216 11.874 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.506 3.176 10.521 1.00 0.00 H new ATOM 550 N GLN A 39 -4.209 4.526 8.166 1.00 0.00 N ATOM 551 CA GLN A 39 -4.683 5.374 7.078 1.00 0.00 C ATOM 552 C GLN A 39 -5.952 4.800 6.457 1.00 0.00 C ATOM 553 O GLN A 39 -6.498 3.808 6.940 1.00 0.00 O ATOM 554 CB GLN A 39 -3.598 5.520 6.008 1.00 0.00 C ATOM 555 CG GLN A 39 -3.195 6.961 5.745 1.00 0.00 C ATOM 556 CD GLN A 39 -2.440 7.578 6.906 1.00 0.00 C ATOM 557 OE1 GLN A 39 -2.931 8.498 7.562 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.240 7.073 7.167 1.00 0.00 N ATOM 0 H GLN A 39 -4.035 3.557 7.900 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.913 6.357 7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.718 4.955 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.954 5.075 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.574 7.003 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.088 7.552 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.873 6.311 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.686 7.447 7.937 1.00 0.00 H new ATOM 567 N GLU A 40 -6.417 5.430 5.383 1.00 0.00 N ATOM 568 CA GLU A 40 -7.623 4.981 4.696 1.00 0.00 C ATOM 569 C GLU A 40 -7.285 4.383 3.335 1.00 0.00 C ATOM 570 O GLU A 40 -7.926 4.695 2.332 1.00 0.00 O ATOM 571 CB GLU A 40 -8.602 6.143 4.527 1.00 0.00 C ATOM 572 CG GLU A 40 -7.970 7.509 4.741 1.00 0.00 C ATOM 573 CD GLU A 40 -8.918 8.647 4.424 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.137 8.483 4.642 1.00 0.00 O ATOM 575 OE2 GLU A 40 -8.443 9.703 3.957 1.00 0.00 O ATOM 0 H GLU A 40 -5.977 6.252 4.970 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.090 4.207 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.030 6.103 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.425 6.019 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.640 7.594 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.082 7.596 4.115 1.00 0.00 H new ATOM 636 N GLN A 45 0.007 10.905 -2.121 1.00 0.00 N ATOM 637 CA GLN A 45 0.613 12.032 -2.819 1.00 0.00 C ATOM 638 C GLN A 45 -0.345 12.608 -3.855 1.00 0.00 C ATOM 639 O GLN A 45 -0.131 12.468 -5.059 1.00 0.00 O ATOM 640 CB GLN A 45 1.915 11.599 -3.496 1.00 0.00 C ATOM 641 CG GLN A 45 2.685 12.749 -4.125 1.00 0.00 C ATOM 642 CD GLN A 45 2.547 14.040 -3.343 1.00 0.00 C ATOM 643 OE1 GLN A 45 1.657 14.849 -3.609 1.00 0.00 O ATOM 644 NE2 GLN A 45 3.430 14.241 -2.372 1.00 0.00 N ATOM 0 HA GLN A 45 0.834 12.806 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.551 11.106 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.687 10.861 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.739 12.481 -4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.329 12.906 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.151 13.544 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.387 15.093 -1.812 1.00 0.00 H new ATOM 653 N THR A 46 -1.402 13.259 -3.380 1.00 0.00 N ATOM 654 CA THR A 46 -2.394 13.859 -4.265 1.00 0.00 C ATOM 655 C THR A 46 -1.832 15.092 -4.964 1.00 0.00 C ATOM 656 O THR A 46 -1.736 16.165 -4.369 1.00 0.00 O ATOM 657 CB THR A 46 -3.668 14.255 -3.497 1.00 0.00 C ATOM 658 OG1 THR A 46 -3.321 14.776 -2.209 1.00 0.00 O ATOM 659 CG2 THR A 46 -4.594 13.059 -3.332 1.00 0.00 C ATOM 0 H THR A 46 -1.594 13.385 -2.386 1.00 0.00 H new ATOM 0 HA THR A 46 -2.649 13.105 -5.010 1.00 0.00 H new ATOM 0 HB THR A 46 -4.188 15.022 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.937 15.501 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.487 13.363 -2.786 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.879 12.682 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.080 12.274 -2.777 1.00 0.00 H new ATOM 667 N TYR A 47 -1.461 14.931 -6.230 1.00 0.00 N ATOM 668 CA TYR A 47 -0.908 16.033 -7.009 1.00 0.00 C ATOM 669 C TYR A 47 -1.869 16.449 -8.120 1.00 0.00 C ATOM 670 O TYR A 47 -2.750 15.685 -8.511 1.00 0.00 O ATOM 671 CB TYR A 47 0.441 15.635 -7.609 1.00 0.00 C ATOM 672 CG TYR A 47 0.349 14.520 -8.626 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.094 14.768 -9.920 1.00 0.00 C ATOM 674 CD2 TYR A 47 0.703 13.219 -8.293 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.180 13.752 -10.852 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.619 12.197 -9.220 1.00 0.00 C ATOM 677 CZ TYR A 47 0.178 12.468 -10.497 1.00 0.00 C ATOM 678 OH TYR A 47 0.094 11.453 -11.423 1.00 0.00 O ATOM 0 H TYR A 47 -1.533 14.049 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.764 16.882 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.891 16.509 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.110 15.327 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.376 15.772 -10.201 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.050 13.002 -7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.526 13.962 -11.853 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.898 11.191 -8.945 1.00 0.00 H new ATOM 0 HH TYR A 47 0.980 11.054 -11.552 1.00 0.00 H new ATOM 688 N GLY A 48 -1.691 17.667 -8.622 1.00 0.00 N ATOM 689 CA GLY A 48 -2.548 18.164 -9.681 1.00 0.00 C ATOM 690 C GLY A 48 -4.008 17.830 -9.451 1.00 0.00 C ATOM 691 O GLY A 48 -4.381 17.352 -8.379 1.00 0.00 O ATOM 0 H GLY A 48 -0.969 18.318 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.434 19.245 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.227 17.740 -10.633 1.00 0.00 H new ATOM 695 N GLY A 49 -4.837 18.082 -10.458 1.00 0.00 N ATOM 696 CA GLY A 49 -6.256 17.799 -10.340 1.00 0.00 C ATOM 697 C GLY A 49 -7.108 19.048 -10.448 1.00 0.00 C ATOM 698 O GLY A 49 -6.625 20.104 -10.856 1.00 0.00 O ATOM 0 H GLY A 49 -4.552 18.477 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.549 17.095 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.448 17.314 -9.383 1.00 0.00 H new ATOM 702 N ASN A 50 -8.380 18.927 -10.081 1.00 0.00 N ATOM 703 CA ASN A 50 -9.301 20.055 -10.138 1.00 0.00 C ATOM 704 C ASN A 50 -9.289 20.835 -8.827 1.00 0.00 C ATOM 705 O ASN A 50 -10.309 21.385 -8.411 1.00 0.00 O ATOM 706 CB ASN A 50 -10.720 19.567 -10.441 1.00 0.00 C ATOM 707 CG ASN A 50 -11.175 19.945 -11.837 1.00 0.00 C ATOM 708 OD1 ASN A 50 -10.376 20.376 -12.669 1.00 0.00 O ATOM 709 ND2 ASN A 50 -12.466 19.784 -12.101 1.00 0.00 N ATOM 0 H ASN A 50 -8.795 18.060 -9.741 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.973 20.719 -10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.760 18.483 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.410 19.989 -9.710 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.831 20.021 -13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.093 19.424 -11.381 1.00 0.00 H new ATOM 716 N SER A 51 -8.128 20.876 -8.180 1.00 0.00 N ATOM 717 CA SER A 51 -7.983 21.588 -6.917 1.00 0.00 C ATOM 718 C SER A 51 -6.510 21.796 -6.582 1.00 0.00 C ATOM 719 O SER A 51 -6.139 21.904 -5.413 1.00 0.00 O ATOM 720 CB SER A 51 -8.671 20.817 -5.790 1.00 0.00 C ATOM 721 OG SER A 51 -8.484 19.420 -5.938 1.00 0.00 O ATOM 0 H SER A 51 -7.275 20.424 -8.510 1.00 0.00 H new ATOM 0 HA SER A 51 -8.458 22.564 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.273 21.140 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.737 21.046 -5.787 1.00 0.00 H new ATOM 0 HG SER A 51 -7.765 19.121 -5.342 1.00 0.00 H new ATOM 727 N ASN A 52 -5.675 21.850 -7.615 1.00 0.00 N ATOM 728 CA ASN A 52 -4.241 22.044 -7.432 1.00 0.00 C ATOM 729 C ASN A 52 -3.572 20.753 -6.970 1.00 0.00 C ATOM 730 O ASN A 52 -2.612 20.286 -7.583 1.00 0.00 O ATOM 731 CB ASN A 52 -3.982 23.158 -6.418 1.00 0.00 C ATOM 732 CG ASN A 52 -2.531 23.597 -6.399 1.00 0.00 C ATOM 733 OD1 ASN A 52 -1.856 23.596 -7.428 1.00 0.00 O ATOM 734 ND2 ASN A 52 -2.043 23.974 -5.223 1.00 0.00 N ATOM 0 H ASN A 52 -5.967 21.762 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.812 22.330 -8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.615 24.014 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.268 22.814 -5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.072 24.279 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.639 23.959 -4.395 1.00 0.00 H new ATOM 741 N GLY A 53 -4.085 20.183 -5.884 1.00 0.00 N ATOM 742 CA GLY A 53 -3.523 18.953 -5.359 1.00 0.00 C ATOM 743 C GLY A 53 -3.942 18.690 -3.925 1.00 0.00 C ATOM 744 O GLY A 53 -3.155 18.186 -3.124 1.00 0.00 O ATOM 0 H GLY A 53 -4.879 20.551 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.837 18.118 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.435 19.002 -5.414 1.00 0.00 H new ATOM 748 N GLU A 54 -5.185 19.032 -3.602 1.00 0.00 N ATOM 749 CA GLU A 54 -5.706 18.830 -2.255 1.00 0.00 C ATOM 750 C GLU A 54 -6.014 17.357 -2.006 1.00 0.00 C ATOM 751 O GLU A 54 -5.719 16.499 -2.838 1.00 0.00 O ATOM 752 CB GLU A 54 -6.965 19.675 -2.041 1.00 0.00 C ATOM 753 CG GLU A 54 -6.807 20.746 -0.975 1.00 0.00 C ATOM 754 CD GLU A 54 -7.360 22.089 -1.409 1.00 0.00 C ATOM 755 OE1 GLU A 54 -8.094 22.129 -2.419 1.00 0.00 O ATOM 756 OE2 GLU A 54 -7.061 23.099 -0.739 1.00 0.00 O ATOM 0 H GLU A 54 -5.849 19.450 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.942 19.145 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.238 20.150 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.790 19.018 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.315 20.425 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.751 20.855 -0.729 1.00 0.00 H new ATOM 763 N PRO A 55 -6.610 17.048 -0.846 1.00 0.00 N ATOM 764 CA PRO A 55 -6.961 15.678 -0.464 1.00 0.00 C ATOM 765 C PRO A 55 -8.142 15.142 -1.267 1.00 0.00 C ATOM 766 O PRO A 55 -8.659 15.817 -2.156 1.00 0.00 O ATOM 767 CB PRO A 55 -7.332 15.794 1.024 1.00 0.00 C ATOM 768 CG PRO A 55 -6.922 17.171 1.436 1.00 0.00 C ATOM 769 CD PRO A 55 -6.985 18.007 0.193 1.00 0.00 C ATOM 0 HA PRO A 55 -6.143 14.983 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.401 15.642 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.816 15.038 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.588 17.563 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.916 17.170 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.982 18.416 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.297 18.851 0.235 1.00 0.00 H new ATOM 777 N CYS A 56 -8.565 13.922 -0.946 1.00 0.00 N ATOM 778 CA CYS A 56 -9.684 13.295 -1.637 1.00 0.00 C ATOM 779 C CYS A 56 -10.958 13.384 -0.803 1.00 0.00 C ATOM 780 O CYS A 56 -10.936 13.850 0.334 1.00 0.00 O ATOM 781 CB CYS A 56 -9.365 11.832 -1.948 1.00 0.00 C ATOM 782 SG CYS A 56 -8.456 11.583 -3.507 1.00 0.00 S ATOM 0 H CYS A 56 -8.149 13.349 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.846 13.830 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.779 11.417 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -10.297 11.269 -1.990 1.00 0.00 H new ATOM 787 N VAL A 57 -12.067 12.934 -1.381 1.00 0.00 N ATOM 788 CA VAL A 57 -13.351 12.963 -0.694 1.00 0.00 C ATOM 789 C VAL A 57 -14.320 11.953 -1.298 1.00 0.00 C ATOM 790 O VAL A 57 -15.045 12.261 -2.244 1.00 0.00 O ATOM 791 CB VAL A 57 -13.987 14.365 -0.754 1.00 0.00 C ATOM 792 CG1 VAL A 57 -14.777 14.649 0.515 1.00 0.00 C ATOM 793 CG2 VAL A 57 -12.920 15.428 -0.976 1.00 0.00 C ATOM 0 H VAL A 57 -12.101 12.545 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.159 12.702 0.347 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.677 14.394 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -15.219 15.644 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -15.568 13.907 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.111 14.600 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.389 16.411 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.203 15.401 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.403 15.234 -1.916 1.00 0.00 H new ATOM 803 N LEU A 58 -14.326 10.744 -0.745 1.00 0.00 N ATOM 804 CA LEU A 58 -15.206 9.687 -1.230 1.00 0.00 C ATOM 805 C LEU A 58 -16.246 9.318 -0.176 1.00 0.00 C ATOM 806 O LEU A 58 -16.227 9.843 0.937 1.00 0.00 O ATOM 807 CB LEU A 58 -14.387 8.452 -1.612 1.00 0.00 C ATOM 808 CG LEU A 58 -12.873 8.665 -1.650 1.00 0.00 C ATOM 809 CD1 LEU A 58 -12.144 7.350 -1.423 1.00 0.00 C ATOM 810 CD2 LEU A 58 -12.456 9.287 -2.974 1.00 0.00 C ATOM 0 H LEU A 58 -13.732 10.472 0.038 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.728 10.057 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.609 7.654 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.715 8.107 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.601 9.351 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.068 7.521 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.420 6.944 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.421 6.641 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.376 9.432 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.741 8.626 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.952 10.250 -3.096 1.00 0.00 H new ATOM 822 N PRO A 59 -17.171 8.405 -0.515 1.00 0.00 N ATOM 823 CA PRO A 59 -17.218 7.763 -1.834 1.00 0.00 C ATOM 824 C PRO A 59 -17.451 8.765 -2.959 1.00 0.00 C ATOM 825 O PRO A 59 -18.151 9.761 -2.782 1.00 0.00 O ATOM 826 CB PRO A 59 -18.407 6.798 -1.730 1.00 0.00 C ATOM 827 CG PRO A 59 -18.645 6.628 -0.268 1.00 0.00 C ATOM 828 CD PRO A 59 -18.246 7.928 0.367 1.00 0.00 C ATOM 0 HA PRO A 59 -16.275 7.272 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -19.288 7.203 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -18.182 5.844 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -19.692 6.400 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -18.056 5.802 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -19.078 8.631 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.898 7.788 1.390 1.00 0.00 H new ATOM 836 N PHE A 60 -16.859 8.495 -4.119 1.00 0.00 N ATOM 837 CA PHE A 60 -17.002 9.374 -5.273 1.00 0.00 C ATOM 838 C PHE A 60 -17.416 8.586 -6.511 1.00 0.00 C ATOM 839 O PHE A 60 -16.599 7.903 -7.127 1.00 0.00 O ATOM 840 CB PHE A 60 -15.691 10.116 -5.540 1.00 0.00 C ATOM 841 CG PHE A 60 -14.632 9.258 -6.172 1.00 0.00 C ATOM 842 CD1 PHE A 60 -13.891 8.373 -5.406 1.00 0.00 C ATOM 843 CD2 PHE A 60 -14.378 9.338 -7.532 1.00 0.00 C ATOM 844 CE1 PHE A 60 -12.916 7.582 -5.985 1.00 0.00 C ATOM 845 CE2 PHE A 60 -13.405 8.549 -8.116 1.00 0.00 C ATOM 846 CZ PHE A 60 -12.673 7.670 -7.341 1.00 0.00 C ATOM 0 H PHE A 60 -16.276 7.674 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 60 -17.784 10.100 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -15.891 10.968 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.311 10.514 -4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.077 8.300 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.946 10.024 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.345 6.896 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.217 8.619 -9.177 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.912 7.053 -7.795 1.00 0.00 H new ATOM 856 N THR A 61 -18.692 8.686 -6.869 1.00 0.00 N ATOM 857 CA THR A 61 -19.219 7.987 -8.031 1.00 0.00 C ATOM 858 C THR A 61 -18.815 8.688 -9.324 1.00 0.00 C ATOM 859 O THR A 61 -18.503 9.879 -9.322 1.00 0.00 O ATOM 860 CB THR A 61 -20.754 7.897 -7.970 1.00 0.00 C ATOM 861 OG1 THR A 61 -21.304 9.162 -7.586 1.00 0.00 O ATOM 862 CG2 THR A 61 -21.197 6.828 -6.982 1.00 0.00 C ATOM 0 H THR A 61 -19.381 9.247 -6.368 1.00 0.00 H new ATOM 0 HA THR A 61 -18.797 6.982 -8.020 1.00 0.00 H new ATOM 0 HB THR A 61 -21.118 7.627 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 61 -22.281 9.097 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.286 6.784 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 61 -20.802 5.860 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 -20.821 7.073 -5.989 1.00 0.00 H new ATOM 870 N TYR A 62 -18.828 7.946 -10.427 1.00 0.00 N ATOM 871 CA TYR A 62 -18.467 8.507 -11.725 1.00 0.00 C ATOM 872 C TYR A 62 -18.836 7.555 -12.860 1.00 0.00 C ATOM 873 O TYR A 62 -18.550 6.360 -12.803 1.00 0.00 O ATOM 874 CB TYR A 62 -16.972 8.831 -11.775 1.00 0.00 C ATOM 875 CG TYR A 62 -16.429 8.975 -13.179 1.00 0.00 C ATOM 876 CD1 TYR A 62 -16.066 7.859 -13.922 1.00 0.00 C ATOM 877 CD2 TYR A 62 -16.281 10.227 -13.760 1.00 0.00 C ATOM 878 CE1 TYR A 62 -15.569 7.989 -15.206 1.00 0.00 C ATOM 879 CE2 TYR A 62 -15.786 10.365 -15.043 1.00 0.00 C ATOM 880 CZ TYR A 62 -15.431 9.243 -15.761 1.00 0.00 C ATOM 881 OH TYR A 62 -14.938 9.375 -17.039 1.00 0.00 O ATOM 0 H TYR A 62 -19.083 6.959 -10.449 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.032 9.430 -11.856 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.791 9.756 -11.228 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.421 8.044 -11.261 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.174 6.875 -13.490 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.557 11.108 -13.200 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -15.290 7.112 -15.771 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.678 11.346 -15.481 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.905 10.324 -17.280 1.00 0.00 H new ATOM 891 N ASN A 63 -19.480 8.100 -13.890 1.00 0.00 N ATOM 892 CA ASN A 63 -19.898 7.312 -15.047 1.00 0.00 C ATOM 893 C ASN A 63 -21.128 6.464 -14.725 1.00 0.00 C ATOM 894 O ASN A 63 -21.675 5.792 -15.600 1.00 0.00 O ATOM 895 CB ASN A 63 -18.743 6.425 -15.536 1.00 0.00 C ATOM 896 CG ASN A 63 -18.784 5.017 -14.967 1.00 0.00 C ATOM 897 OD1 ASN A 63 -19.776 4.304 -15.116 1.00 0.00 O ATOM 898 ND2 ASN A 63 -17.703 4.612 -14.311 1.00 0.00 N ATOM 0 H ASN A 63 -19.724 9.089 -13.947 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.170 8.003 -15.845 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -18.772 6.371 -16.624 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.796 6.892 -15.265 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.673 3.676 -13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.903 5.237 -14.212 1.00 0.00 H new ATOM 905 N GLY A 64 -21.556 6.495 -13.466 1.00 0.00 N ATOM 906 CA GLY A 64 -22.712 5.721 -13.057 1.00 0.00 C ATOM 907 C GLY A 64 -22.359 4.684 -12.012 1.00 0.00 C ATOM 908 O GLY A 64 -23.218 3.922 -11.566 1.00 0.00 O ATOM 0 H GLY A 64 -21.122 7.043 -12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -23.475 6.391 -12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -23.144 5.227 -13.927 1.00 0.00 H new ATOM 912 N ARG A 65 -21.089 4.655 -11.621 1.00 0.00 N ATOM 913 CA ARG A 65 -20.615 3.706 -10.625 1.00 0.00 C ATOM 914 C ARG A 65 -20.214 4.432 -9.341 1.00 0.00 C ATOM 915 O ARG A 65 -20.285 5.659 -9.261 1.00 0.00 O ATOM 916 CB ARG A 65 -19.437 2.898 -11.196 1.00 0.00 C ATOM 917 CG ARG A 65 -18.143 3.017 -10.406 1.00 0.00 C ATOM 918 CD ARG A 65 -16.948 2.542 -11.218 1.00 0.00 C ATOM 919 NE ARG A 65 -17.063 1.135 -11.587 1.00 0.00 N ATOM 920 CZ ARG A 65 -16.020 0.363 -11.874 1.00 0.00 C ATOM 921 NH1 ARG A 65 -14.792 0.861 -11.834 1.00 0.00 N ATOM 922 NH2 ARG A 65 -16.205 -0.910 -12.200 1.00 0.00 N ATOM 0 H ARG A 65 -20.369 5.281 -11.981 1.00 0.00 H new ATOM 0 HA ARG A 65 -21.421 3.015 -10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -19.723 1.847 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.253 3.224 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -17.992 4.054 -10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -18.219 2.430 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.859 3.147 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.035 2.692 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.995 0.721 -11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.646 1.839 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.993 0.266 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.148 -1.297 -12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.404 -1.502 -12.420 1.00 0.00 H new ATOM 936 N THR A 66 -19.787 3.666 -8.344 1.00 0.00 N ATOM 937 CA THR A 66 -19.368 4.234 -7.068 1.00 0.00 C ATOM 938 C THR A 66 -17.935 3.836 -6.734 1.00 0.00 C ATOM 939 O THR A 66 -17.651 2.670 -6.462 1.00 0.00 O ATOM 940 CB THR A 66 -20.293 3.787 -5.922 1.00 0.00 C ATOM 941 OG1 THR A 66 -21.653 4.121 -6.229 1.00 0.00 O ATOM 942 CG2 THR A 66 -19.888 4.445 -4.611 1.00 0.00 C ATOM 0 H THR A 66 -19.722 2.649 -8.395 1.00 0.00 H new ATOM 0 HA THR A 66 -19.428 5.318 -7.170 1.00 0.00 H new ATOM 0 HB THR A 66 -20.201 2.706 -5.812 1.00 0.00 H new ATOM 0 HG1 THR A 66 -22.235 3.831 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.556 4.114 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.864 4.165 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 -19.954 5.528 -4.712 1.00 0.00 H new ATOM 950 N PHE A 67 -17.035 4.813 -6.759 1.00 0.00 N ATOM 951 CA PHE A 67 -15.629 4.565 -6.461 1.00 0.00 C ATOM 952 C PHE A 67 -15.317 4.885 -5.003 1.00 0.00 C ATOM 953 O PHE A 67 -15.896 5.801 -4.420 1.00 0.00 O ATOM 954 CB PHE A 67 -14.734 5.400 -7.380 1.00 0.00 C ATOM 955 CG PHE A 67 -15.102 5.299 -8.833 1.00 0.00 C ATOM 956 CD1 PHE A 67 -16.245 5.915 -9.316 1.00 0.00 C ATOM 957 CD2 PHE A 67 -14.303 4.589 -9.715 1.00 0.00 C ATOM 958 CE1 PHE A 67 -16.585 5.824 -10.653 1.00 0.00 C ATOM 959 CE2 PHE A 67 -14.638 4.496 -11.053 1.00 0.00 C ATOM 960 CZ PHE A 67 -15.781 5.115 -11.522 1.00 0.00 C ATOM 0 H PHE A 67 -17.254 5.784 -6.982 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.429 3.507 -6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.786 6.444 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.699 5.081 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.877 6.472 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -13.409 4.103 -9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -17.479 6.308 -11.017 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.007 3.940 -11.731 1.00 0.00 H new ATOM 0 HZ PHE A 67 -16.045 5.044 -12.567 1.00 0.00 H new ATOM 970 N TYR A 68 -14.397 4.123 -4.420 1.00 0.00 N ATOM 971 CA TYR A 68 -14.007 4.326 -3.029 1.00 0.00 C ATOM 972 C TYR A 68 -12.531 4.694 -2.928 1.00 0.00 C ATOM 973 O TYR A 68 -11.941 4.649 -1.848 1.00 0.00 O ATOM 974 CB TYR A 68 -14.288 3.065 -2.210 1.00 0.00 C ATOM 975 CG TYR A 68 -15.761 2.784 -2.015 1.00 0.00 C ATOM 976 CD1 TYR A 68 -16.470 2.021 -2.934 1.00 0.00 C ATOM 977 CD2 TYR A 68 -16.443 3.284 -0.912 1.00 0.00 C ATOM 978 CE1 TYR A 68 -17.816 1.763 -2.759 1.00 0.00 C ATOM 979 CE2 TYR A 68 -17.788 3.029 -0.730 1.00 0.00 C ATOM 980 CZ TYR A 68 -18.471 2.269 -1.656 1.00 0.00 C ATOM 981 OH TYR A 68 -19.811 2.014 -1.479 1.00 0.00 O ATOM 0 H TYR A 68 -13.908 3.360 -4.888 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.597 5.150 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.826 2.210 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.813 3.163 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.961 1.623 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -15.913 3.882 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.353 1.168 -3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -18.303 3.423 0.134 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.119 2.441 -0.653 1.00 0.00 H new ATOM 991 N SER A 69 -11.938 5.057 -4.061 1.00 0.00 N ATOM 992 CA SER A 69 -10.530 5.434 -4.103 1.00 0.00 C ATOM 993 C SER A 69 -10.112 5.815 -5.519 1.00 0.00 C ATOM 994 O SER A 69 -10.920 5.776 -6.447 1.00 0.00 O ATOM 995 CB SER A 69 -9.658 4.284 -3.593 1.00 0.00 C ATOM 996 OG SER A 69 -9.006 4.636 -2.386 1.00 0.00 O ATOM 0 H SER A 69 -12.412 5.098 -4.963 1.00 0.00 H new ATOM 0 HA SER A 69 -10.391 6.301 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.274 3.399 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.916 4.023 -4.348 1.00 0.00 H new ATOM 0 HG SER A 69 -9.675 4.826 -1.696 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.846 6.187 -5.677 1.00 0.00 N ATOM 1003 CA CYS A 70 -8.321 6.576 -6.981 1.00 0.00 C ATOM 1004 C CYS A 70 -8.778 5.603 -8.063 1.00 0.00 C ATOM 1005 O CYS A 70 -9.407 4.585 -7.772 1.00 0.00 O ATOM 1006 CB CYS A 70 -6.793 6.633 -6.943 1.00 0.00 C ATOM 1007 SG CYS A 70 -6.118 7.549 -5.520 1.00 0.00 S ATOM 0 H CYS A 70 -8.165 6.227 -4.919 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.709 7.566 -7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.403 5.616 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.434 7.096 -7.862 1.00 0.00 H new ATOM 1012 N THR A 71 -8.459 5.923 -9.313 1.00 0.00 N ATOM 1013 CA THR A 71 -8.836 5.078 -10.438 1.00 0.00 C ATOM 1014 C THR A 71 -8.257 5.611 -11.745 1.00 0.00 C ATOM 1015 O THR A 71 -7.863 6.773 -11.832 1.00 0.00 O ATOM 1016 CB THR A 71 -10.367 4.973 -10.574 1.00 0.00 C ATOM 1017 OG1 THR A 71 -10.705 4.007 -11.575 1.00 0.00 O ATOM 1018 CG2 THR A 71 -10.970 6.321 -10.940 1.00 0.00 C ATOM 0 H THR A 71 -7.940 6.762 -9.571 1.00 0.00 H new ATOM 0 HA THR A 71 -8.427 4.087 -10.239 1.00 0.00 H new ATOM 0 HB THR A 71 -10.775 4.658 -9.613 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.680 3.945 -11.654 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.052 6.223 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.735 7.048 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.555 6.659 -11.890 1.00 0.00 H new ATOM 1026 N THR A 72 -8.210 4.753 -12.759 1.00 0.00 N ATOM 1027 CA THR A 72 -7.680 5.138 -14.061 1.00 0.00 C ATOM 1028 C THR A 72 -8.762 5.081 -15.134 1.00 0.00 C ATOM 1029 O THR A 72 -8.467 4.923 -16.318 1.00 0.00 O ATOM 1030 CB THR A 72 -6.508 4.231 -14.481 1.00 0.00 C ATOM 1031 OG1 THR A 72 -6.774 2.877 -14.099 1.00 0.00 O ATOM 1032 CG2 THR A 72 -5.208 4.696 -13.843 1.00 0.00 C ATOM 0 H THR A 72 -8.533 3.787 -12.704 1.00 0.00 H new ATOM 0 HA THR A 72 -7.321 6.163 -13.965 1.00 0.00 H new ATOM 0 HB THR A 72 -6.404 4.289 -15.565 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.025 2.307 -14.371 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.395 4.040 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.992 5.717 -14.159 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.304 4.665 -12.758 1.00 0.00 H new ATOM 1040 N GLU A 73 -10.015 5.211 -14.709 1.00 0.00 N ATOM 1041 CA GLU A 73 -11.142 5.174 -15.634 1.00 0.00 C ATOM 1042 C GLU A 73 -11.389 6.549 -16.246 1.00 0.00 C ATOM 1043 O GLU A 73 -12.410 7.183 -15.980 1.00 0.00 O ATOM 1044 CB GLU A 73 -12.402 4.689 -14.916 1.00 0.00 C ATOM 1045 CG GLU A 73 -13.178 3.637 -15.692 1.00 0.00 C ATOM 1046 CD GLU A 73 -13.034 3.796 -17.193 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -13.720 4.668 -17.765 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -12.236 3.047 -17.795 1.00 0.00 O ATOM 0 H GLU A 73 -10.275 5.343 -13.732 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.898 4.478 -16.436 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.122 4.280 -13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.053 5.542 -14.726 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.831 2.646 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.233 3.697 -15.423 1.00 0.00 H new ATOM 1055 N GLY A 74 -10.447 7.005 -17.066 1.00 0.00 N ATOM 1056 CA GLY A 74 -10.582 8.302 -17.702 1.00 0.00 C ATOM 1057 C GLY A 74 -9.241 8.950 -17.986 1.00 0.00 C ATOM 1058 O GLY A 74 -9.098 9.696 -18.956 1.00 0.00 O ATOM 0 H GLY A 74 -9.593 6.499 -17.301 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.133 8.190 -18.636 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.171 8.958 -17.061 1.00 0.00 H new ATOM 1062 N ARG A 75 -8.257 8.665 -17.141 1.00 0.00 N ATOM 1063 CA ARG A 75 -6.921 9.227 -17.306 1.00 0.00 C ATOM 1064 C ARG A 75 -6.091 8.382 -18.267 1.00 0.00 C ATOM 1065 O ARG A 75 -5.550 7.343 -17.890 1.00 0.00 O ATOM 1066 CB ARG A 75 -6.214 9.321 -15.952 1.00 0.00 C ATOM 1067 CG ARG A 75 -6.819 10.360 -15.021 1.00 0.00 C ATOM 1068 CD ARG A 75 -6.124 11.704 -15.161 1.00 0.00 C ATOM 1069 NE ARG A 75 -5.836 12.029 -16.555 1.00 0.00 N ATOM 1070 CZ ARG A 75 -6.706 12.616 -17.369 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -7.915 12.940 -16.929 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -6.370 12.880 -18.625 1.00 0.00 N ATOM 0 H ARG A 75 -8.359 8.048 -16.335 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.024 10.228 -17.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.247 8.346 -15.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.163 9.560 -16.116 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.881 10.473 -15.241 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.742 10.015 -13.990 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.752 12.483 -14.729 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.194 11.692 -14.592 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.915 11.792 -16.924 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.178 12.738 -15.964 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.582 13.391 -17.555 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.442 12.632 -18.967 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.040 13.331 -19.248 1.00 0.00 H new ATOM 1086 N GLN A 76 -5.996 8.836 -19.512 1.00 0.00 N ATOM 1087 CA GLN A 76 -5.231 8.123 -20.529 1.00 0.00 C ATOM 1088 C GLN A 76 -3.764 8.539 -20.499 1.00 0.00 C ATOM 1089 O GLN A 76 -3.014 8.273 -21.438 1.00 0.00 O ATOM 1090 CB GLN A 76 -5.819 8.386 -21.917 1.00 0.00 C ATOM 1091 CG GLN A 76 -6.501 7.173 -22.530 1.00 0.00 C ATOM 1092 CD GLN A 76 -8.010 7.311 -22.569 1.00 0.00 C ATOM 1093 OE1 GLN A 76 -8.590 7.616 -23.610 1.00 0.00 O ATOM 1094 NE2 GLN A 76 -8.655 7.087 -21.429 1.00 0.00 N ATOM 0 H GLN A 76 -6.439 9.694 -19.841 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.292 7.057 -20.312 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.539 9.201 -21.849 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.023 8.719 -22.582 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.127 7.024 -23.543 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.236 6.284 -21.958 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.134 6.836 -20.589 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.671 7.166 -21.394 1.00 0.00 H new ATOM 1103 N ASP A 77 -3.362 9.190 -19.413 1.00 0.00 N ATOM 1104 CA ASP A 77 -1.984 9.643 -19.259 1.00 0.00 C ATOM 1105 C ASP A 77 -1.178 8.656 -18.420 1.00 0.00 C ATOM 1106 O ASP A 77 0.048 8.739 -18.354 1.00 0.00 O ATOM 1107 CB ASP A 77 -1.949 11.028 -18.612 1.00 0.00 C ATOM 1108 CG ASP A 77 -3.248 11.787 -18.796 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -4.313 11.235 -18.445 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -3.203 12.932 -19.291 1.00 0.00 O ATOM 0 H ASP A 77 -3.971 9.416 -18.626 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.534 9.702 -20.250 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.741 10.923 -17.547 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.130 11.606 -19.041 1.00 0.00 H new ATOM 1115 N GLY A 78 -1.876 7.724 -17.778 1.00 0.00 N ATOM 1116 CA GLY A 78 -1.207 6.736 -16.952 1.00 0.00 C ATOM 1117 C GLY A 78 -1.554 6.880 -15.483 1.00 0.00 C ATOM 1118 O GLY A 78 -2.157 5.984 -14.890 1.00 0.00 O ATOM 0 H GLY A 78 -2.891 7.636 -17.815 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.481 5.737 -17.291 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.129 6.831 -17.079 1.00 0.00 H new ATOM 1122 N HIS A 79 -1.173 8.008 -14.894 1.00 0.00 N ATOM 1123 CA HIS A 79 -1.447 8.265 -13.486 1.00 0.00 C ATOM 1124 C HIS A 79 -2.915 8.009 -13.162 1.00 0.00 C ATOM 1125 O HIS A 79 -3.728 7.781 -14.057 1.00 0.00 O ATOM 1126 CB HIS A 79 -1.078 9.706 -13.128 1.00 0.00 C ATOM 1127 CG HIS A 79 0.267 10.124 -13.633 1.00 0.00 C ATOM 1128 ND1 HIS A 79 1.450 9.684 -13.076 1.00 0.00 N ATOM 1129 CD2 HIS A 79 0.616 10.945 -14.652 1.00 0.00 C ATOM 1130 CE1 HIS A 79 2.467 10.218 -13.729 1.00 0.00 C ATOM 1131 NE2 HIS A 79 1.988 10.985 -14.691 1.00 0.00 N ATOM 0 H HIS A 79 -0.673 8.759 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.838 7.583 -12.893 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.834 10.377 -13.535 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.101 9.819 -12.044 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.059 11.470 -15.311 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.512 10.055 -13.513 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.547 11.521 -15.356 1.00 0.00 H new ATOM 1140 N LEU A 80 -3.247 8.047 -11.875 1.00 0.00 N ATOM 1141 CA LEU A 80 -4.618 7.818 -11.433 1.00 0.00 C ATOM 1142 C LEU A 80 -5.284 9.128 -11.024 1.00 0.00 C ATOM 1143 O LEU A 80 -4.613 10.139 -10.815 1.00 0.00 O ATOM 1144 CB LEU A 80 -4.640 6.835 -10.262 1.00 0.00 C ATOM 1145 CG LEU A 80 -4.180 5.415 -10.601 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -2.661 5.337 -10.618 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -4.757 4.416 -9.609 1.00 0.00 C ATOM 0 H LEU A 80 -2.586 8.234 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.176 7.392 -12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.005 7.226 -9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.654 6.787 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.548 5.161 -11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.352 4.320 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.270 6.024 -11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.272 5.610 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.419 3.412 -9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.420 4.666 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.846 4.453 -9.647 1.00 0.00 H new ATOM 1159 N TRP A 81 -6.607 9.102 -10.912 1.00 0.00 N ATOM 1160 CA TRP A 81 -7.366 10.288 -10.529 1.00 0.00 C ATOM 1161 C TRP A 81 -8.366 9.958 -9.425 1.00 0.00 C ATOM 1162 O TRP A 81 -8.881 8.842 -9.353 1.00 0.00 O ATOM 1163 CB TRP A 81 -8.097 10.866 -11.742 1.00 0.00 C ATOM 1164 CG TRP A 81 -9.171 9.967 -12.273 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -8.997 8.796 -12.953 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -10.585 10.166 -12.170 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -10.216 8.255 -13.280 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -11.207 9.077 -12.810 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -11.386 11.159 -11.599 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -12.592 8.954 -12.893 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -12.760 11.035 -11.683 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -13.351 9.940 -12.325 1.00 0.00 C ATOM 0 H TRP A 81 -7.177 8.273 -11.081 1.00 0.00 H new ATOM 0 HA TRP A 81 -6.665 11.032 -10.150 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -8.538 11.824 -11.468 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -7.374 11.062 -12.533 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.040 8.359 -13.198 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -10.360 7.383 -13.790 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -10.940 12.007 -11.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.050 8.110 -13.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -13.389 11.796 -11.246 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.428 9.873 -12.373 1.00 0.00 H new ATOM 1183 N CYS A 82 -8.637 10.937 -8.568 1.00 0.00 N ATOM 1184 CA CYS A 82 -9.577 10.751 -7.469 1.00 0.00 C ATOM 1185 C CYS A 82 -10.328 12.044 -7.169 1.00 0.00 C ATOM 1186 O CYS A 82 -9.728 13.116 -7.082 1.00 0.00 O ATOM 1187 CB CYS A 82 -8.838 10.273 -6.217 1.00 0.00 C ATOM 1188 SG CYS A 82 -9.754 10.536 -4.663 1.00 0.00 S ATOM 0 H CYS A 82 -8.219 11.866 -8.613 1.00 0.00 H new ATOM 0 HA CYS A 82 -10.302 9.994 -7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.619 9.210 -6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.881 10.791 -6.154 1.00 0.00 H new ATOM 1193 N SER A 83 -11.643 11.936 -7.012 1.00 0.00 N ATOM 1194 CA SER A 83 -12.476 13.097 -6.721 1.00 0.00 C ATOM 1195 C SER A 83 -12.032 13.777 -5.431 1.00 0.00 C ATOM 1196 O SER A 83 -11.598 13.116 -4.488 1.00 0.00 O ATOM 1197 CB SER A 83 -13.945 12.682 -6.614 1.00 0.00 C ATOM 1198 OG SER A 83 -14.794 13.817 -6.576 1.00 0.00 O ATOM 0 H SER A 83 -12.155 11.056 -7.081 1.00 0.00 H new ATOM 0 HA SER A 83 -12.365 13.807 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.211 12.053 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.093 12.083 -5.715 1.00 0.00 H new ATOM 0 HG SER A 83 -14.351 14.572 -7.017 1.00 0.00 H new ATOM 1204 N THR A 84 -12.144 15.100 -5.396 1.00 0.00 N ATOM 1205 CA THR A 84 -11.753 15.870 -4.221 1.00 0.00 C ATOM 1206 C THR A 84 -12.962 16.540 -3.576 1.00 0.00 C ATOM 1207 O THR A 84 -12.874 17.668 -3.092 1.00 0.00 O ATOM 1208 CB THR A 84 -10.713 16.948 -4.575 1.00 0.00 C ATOM 1209 OG1 THR A 84 -11.024 17.532 -5.846 1.00 0.00 O ATOM 1210 CG2 THR A 84 -9.312 16.356 -4.614 1.00 0.00 C ATOM 0 H THR A 84 -12.502 15.662 -6.168 1.00 0.00 H new ATOM 0 HA THR A 84 -11.310 15.167 -3.516 1.00 0.00 H new ATOM 0 HB THR A 84 -10.745 17.718 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.221 17.953 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.594 17.136 -4.866 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.066 15.939 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.271 15.568 -5.366 1.00 0.00 H new ATOM 1218 N THR A 85 -14.090 15.837 -3.572 1.00 0.00 N ATOM 1219 CA THR A 85 -15.317 16.364 -2.986 1.00 0.00 C ATOM 1220 C THR A 85 -16.402 15.295 -2.929 1.00 0.00 C ATOM 1221 O THR A 85 -16.664 14.608 -3.917 1.00 0.00 O ATOM 1222 CB THR A 85 -15.844 17.574 -3.781 1.00 0.00 C ATOM 1223 OG1 THR A 85 -15.593 17.390 -5.179 1.00 0.00 O ATOM 1224 CG2 THR A 85 -15.186 18.860 -3.308 1.00 0.00 C ATOM 0 H THR A 85 -14.180 14.901 -3.968 1.00 0.00 H new ATOM 0 HA THR A 85 -15.072 16.683 -1.973 1.00 0.00 H new ATOM 0 HB THR A 85 -16.918 17.651 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.273 16.794 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.574 19.700 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.404 19.013 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 85 -14.107 18.790 -3.449 1.00 0.00 H new ATOM 1232 N SER A 86 -17.032 15.161 -1.765 1.00 0.00 N ATOM 1233 CA SER A 86 -18.090 14.176 -1.579 1.00 0.00 C ATOM 1234 C SER A 86 -18.934 14.039 -2.842 1.00 0.00 C ATOM 1235 O SER A 86 -18.986 12.972 -3.454 1.00 0.00 O ATOM 1236 CB SER A 86 -18.978 14.567 -0.397 1.00 0.00 C ATOM 1237 OG SER A 86 -20.162 15.209 -0.838 1.00 0.00 O ATOM 0 H SER A 86 -16.828 15.722 -0.938 1.00 0.00 H new ATOM 0 HA SER A 86 -17.623 13.213 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.236 13.678 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.428 15.230 0.271 1.00 0.00 H new ATOM 0 HG SER A 86 -20.773 14.544 -1.218 1.00 0.00 H new ATOM 1243 N ASN A 87 -19.596 15.126 -3.225 1.00 0.00 N ATOM 1244 CA ASN A 87 -20.439 15.128 -4.415 1.00 0.00 C ATOM 1245 C ASN A 87 -19.623 15.461 -5.660 1.00 0.00 C ATOM 1246 O ASN A 87 -19.301 16.623 -5.911 1.00 0.00 O ATOM 1247 CB ASN A 87 -21.581 16.134 -4.256 1.00 0.00 C ATOM 1248 CG ASN A 87 -22.540 15.748 -3.147 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -22.234 15.898 -1.964 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -23.711 15.249 -3.525 1.00 0.00 N ATOM 0 H ASN A 87 -19.565 16.017 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 87 -20.858 14.129 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -21.167 17.120 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -22.128 16.210 -5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -24.398 14.973 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -23.923 15.142 -4.517 1.00 0.00 H new ATOM 1257 N TYR A 88 -19.290 14.435 -6.435 1.00 0.00 N ATOM 1258 CA TYR A 88 -18.512 14.619 -7.654 1.00 0.00 C ATOM 1259 C TYR A 88 -19.313 15.384 -8.703 1.00 0.00 C ATOM 1260 O TYR A 88 -18.960 16.503 -9.073 1.00 0.00 O ATOM 1261 CB TYR A 88 -18.078 13.264 -8.216 1.00 0.00 C ATOM 1262 CG TYR A 88 -17.350 13.360 -9.538 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -16.101 13.962 -9.623 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -17.912 12.850 -10.702 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -15.432 14.052 -10.828 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -17.249 12.937 -11.912 1.00 0.00 C ATOM 1267 CZ TYR A 88 -16.010 13.539 -11.970 1.00 0.00 C ATOM 1268 OH TYR A 88 -15.348 13.626 -13.172 1.00 0.00 O ATOM 0 H TYR A 88 -19.547 13.467 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.626 15.203 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -17.432 12.770 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -18.958 12.633 -8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.645 14.367 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -18.883 12.378 -10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -14.461 14.522 -10.876 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.699 12.535 -12.808 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.426 12.774 -13.651 1.00 0.00 H new ATOM 1278 N GLU A 89 -20.394 14.773 -9.176 1.00 0.00 N ATOM 1279 CA GLU A 89 -21.247 15.396 -10.182 1.00 0.00 C ATOM 1280 C GLU A 89 -21.523 16.855 -9.832 1.00 0.00 C ATOM 1281 O GLU A 89 -21.660 17.700 -10.716 1.00 0.00 O ATOM 1282 CB GLU A 89 -22.565 14.630 -10.309 1.00 0.00 C ATOM 1283 CG GLU A 89 -22.585 13.640 -11.461 1.00 0.00 C ATOM 1284 CD GLU A 89 -23.960 13.495 -12.082 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -24.668 14.518 -12.202 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -24.329 12.361 -12.450 1.00 0.00 O ATOM 0 H GLU A 89 -20.700 13.847 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 89 -20.724 15.363 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -22.756 14.096 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -23.379 15.343 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -21.878 13.963 -12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -22.247 12.667 -11.105 1.00 0.00 H new ATOM 1293 N GLN A 90 -21.604 17.141 -8.537 1.00 0.00 N ATOM 1294 CA GLN A 90 -21.864 18.498 -8.070 1.00 0.00 C ATOM 1295 C GLN A 90 -20.586 19.331 -8.077 1.00 0.00 C ATOM 1296 O GLN A 90 -20.439 20.252 -8.880 1.00 0.00 O ATOM 1297 CB GLN A 90 -22.459 18.470 -6.661 1.00 0.00 C ATOM 1298 CG GLN A 90 -22.545 19.840 -6.009 1.00 0.00 C ATOM 1299 CD GLN A 90 -23.659 20.691 -6.585 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -23.418 21.781 -7.106 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -24.889 20.198 -6.494 1.00 0.00 N ATOM 0 H GLN A 90 -21.494 16.452 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 90 -22.580 18.958 -8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -23.457 18.035 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -21.854 17.816 -6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -22.702 19.719 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -21.595 20.359 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -25.044 19.291 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -25.679 20.727 -6.864 1.00 0.00 H new ATOM 1310 N ASP A 91 -19.665 19.000 -7.178 1.00 0.00 N ATOM 1311 CA ASP A 91 -18.399 19.718 -7.082 1.00 0.00 C ATOM 1312 C ASP A 91 -17.606 19.601 -8.379 1.00 0.00 C ATOM 1313 O ASP A 91 -17.285 20.605 -9.014 1.00 0.00 O ATOM 1314 CB ASP A 91 -17.571 19.178 -5.914 1.00 0.00 C ATOM 1315 CG ASP A 91 -17.486 20.160 -4.762 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -18.401 20.160 -3.912 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -16.504 20.931 -4.710 1.00 0.00 O ATOM 0 H ASP A 91 -19.771 18.240 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.620 20.771 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -18.011 18.245 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.565 18.944 -6.263 1.00 0.00 H new ATOM 1322 N GLN A 92 -17.294 18.369 -8.766 1.00 0.00 N ATOM 1323 CA GLN A 92 -16.539 18.120 -9.989 1.00 0.00 C ATOM 1324 C GLN A 92 -15.040 18.231 -9.734 1.00 0.00 C ATOM 1325 O GLN A 92 -14.246 18.316 -10.671 1.00 0.00 O ATOM 1326 CB GLN A 92 -16.957 19.106 -11.081 1.00 0.00 C ATOM 1327 CG GLN A 92 -16.911 18.518 -12.482 1.00 0.00 C ATOM 1328 CD GLN A 92 -18.287 18.173 -13.015 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -18.624 18.499 -14.153 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -19.091 17.508 -12.193 1.00 0.00 N ATOM 0 H GLN A 92 -17.552 17.527 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.759 17.106 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.969 19.455 -10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.305 19.978 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.433 19.230 -13.155 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -16.293 17.620 -12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.770 17.258 -11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.029 17.247 -12.497 1.00 0.00 H new ATOM 1339 N LYS A 93 -14.659 18.230 -8.461 1.00 0.00 N ATOM 1340 CA LYS A 93 -13.253 18.331 -8.083 1.00 0.00 C ATOM 1341 C LYS A 93 -12.594 16.955 -8.069 1.00 0.00 C ATOM 1342 O LYS A 93 -13.270 15.934 -7.949 1.00 0.00 O ATOM 1343 CB LYS A 93 -13.119 18.989 -6.708 1.00 0.00 C ATOM 1344 CG LYS A 93 -14.029 20.190 -6.517 1.00 0.00 C ATOM 1345 CD LYS A 93 -13.588 21.366 -7.374 1.00 0.00 C ATOM 1346 CE LYS A 93 -14.470 22.583 -7.148 1.00 0.00 C ATOM 1347 NZ LYS A 93 -15.027 23.111 -8.425 1.00 0.00 N ATOM 0 H LYS A 93 -15.303 18.160 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 93 -12.746 18.949 -8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -13.340 18.250 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.085 19.301 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.053 19.916 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.030 20.484 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.553 21.618 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.620 21.083 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.288 22.319 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.892 23.364 -6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.623 23.940 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.248 23.387 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.600 22.375 -8.884 1.00 0.00 H new ATOM 1361 N TYR A 94 -11.271 16.937 -8.192 1.00 0.00 N ATOM 1362 CA TYR A 94 -10.521 15.687 -8.193 1.00 0.00 C ATOM 1363 C TYR A 94 -9.033 15.945 -7.977 1.00 0.00 C ATOM 1364 O TYR A 94 -8.600 17.092 -7.874 1.00 0.00 O ATOM 1365 CB TYR A 94 -10.734 14.941 -9.512 1.00 0.00 C ATOM 1366 CG TYR A 94 -10.451 15.782 -10.737 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -9.151 16.133 -11.076 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -11.485 16.224 -11.553 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -8.889 16.902 -12.195 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -11.231 16.993 -12.673 1.00 0.00 C ATOM 1371 CZ TYR A 94 -9.932 17.329 -12.989 1.00 0.00 C ATOM 1372 OH TYR A 94 -9.675 18.094 -14.104 1.00 0.00 O ATOM 0 H TYR A 94 -10.696 17.774 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.888 15.072 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.091 14.061 -9.530 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -11.763 14.585 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.332 15.800 -10.456 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.504 15.962 -11.308 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.872 17.167 -12.446 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.046 17.329 -13.297 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.846 19.037 -13.900 1.00 0.00 H new ATOM 1382 N SER A 95 -8.256 14.869 -7.907 1.00 0.00 N ATOM 1383 CA SER A 95 -6.816 14.977 -7.703 1.00 0.00 C ATOM 1384 C SER A 95 -6.100 13.727 -8.203 1.00 0.00 C ATOM 1385 O SER A 95 -6.496 12.605 -7.886 1.00 0.00 O ATOM 1386 CB SER A 95 -6.505 15.199 -6.221 1.00 0.00 C ATOM 1387 OG SER A 95 -6.834 16.518 -5.822 1.00 0.00 O ATOM 0 H SER A 95 -8.600 13.912 -7.989 1.00 0.00 H new ATOM 0 HA SER A 95 -6.457 15.832 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.064 14.483 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.447 15.013 -6.037 1.00 0.00 H new ATOM 0 HG SER A 95 -7.412 16.930 -6.498 1.00 0.00 H new ATOM 1393 N PHE A 96 -5.045 13.928 -8.986 1.00 0.00 N ATOM 1394 CA PHE A 96 -4.276 12.815 -9.530 1.00 0.00 C ATOM 1395 C PHE A 96 -3.395 12.186 -8.456 1.00 0.00 C ATOM 1396 O PHE A 96 -2.476 12.822 -7.941 1.00 0.00 O ATOM 1397 CB PHE A 96 -3.413 13.289 -10.701 1.00 0.00 C ATOM 1398 CG PHE A 96 -4.024 14.419 -11.478 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -5.349 14.362 -11.880 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -3.274 15.537 -11.806 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -5.915 15.401 -12.596 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -3.835 16.579 -12.521 1.00 0.00 C ATOM 1403 CZ PHE A 96 -5.157 16.510 -12.916 1.00 0.00 C ATOM 0 H PHE A 96 -4.704 14.850 -9.258 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.978 12.061 -9.886 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -2.441 13.604 -10.321 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.236 12.450 -11.374 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.946 13.497 -11.631 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -2.240 15.595 -11.500 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -6.948 15.345 -12.904 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -3.241 17.446 -12.770 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.597 17.323 -13.475 1.00 0.00 H new ATOM 1413 N CYS A 97 -3.681 10.931 -8.125 1.00 0.00 N ATOM 1414 CA CYS A 97 -2.915 10.214 -7.113 1.00 0.00 C ATOM 1415 C CYS A 97 -1.556 9.791 -7.660 1.00 0.00 C ATOM 1416 O CYS A 97 -1.161 10.197 -8.752 1.00 0.00 O ATOM 1417 CB CYS A 97 -3.687 8.985 -6.633 1.00 0.00 C ATOM 1418 SG CYS A 97 -5.459 9.288 -6.334 1.00 0.00 S ATOM 0 H CYS A 97 -4.438 10.390 -8.543 1.00 0.00 H new ATOM 0 HA CYS A 97 -2.756 10.887 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.585 8.193 -7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.232 8.620 -5.712 1.00 0.00 H new ATOM 1423 N THR A 98 -0.845 8.971 -6.893 1.00 0.00 N ATOM 1424 CA THR A 98 0.470 8.492 -7.302 1.00 0.00 C ATOM 1425 C THR A 98 0.376 7.109 -7.937 1.00 0.00 C ATOM 1426 O THR A 98 -0.124 6.165 -7.324 1.00 0.00 O ATOM 1427 CB THR A 98 1.443 8.431 -6.111 1.00 0.00 C ATOM 1428 OG1 THR A 98 0.712 8.404 -4.879 1.00 0.00 O ATOM 1429 CG2 THR A 98 2.384 9.627 -6.121 1.00 0.00 C ATOM 0 H THR A 98 -1.157 8.625 -5.986 1.00 0.00 H new ATOM 0 HA THR A 98 0.851 9.203 -8.035 1.00 0.00 H new ATOM 0 HB THR A 98 2.035 7.520 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.339 8.363 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.063 9.563 -5.270 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.961 9.629 -7.046 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.804 10.547 -6.054 1.00 0.00 H new ATOM 1481 N VAL A 102 3.173 0.401 -3.614 1.00 0.00 N ATOM 1482 CA VAL A 102 3.771 -0.884 -3.274 1.00 0.00 C ATOM 1483 C VAL A 102 3.332 -1.345 -1.889 1.00 0.00 C ATOM 1484 O VAL A 102 3.890 -0.921 -0.876 1.00 0.00 O ATOM 1485 CB VAL A 102 5.310 -0.819 -3.316 1.00 0.00 C ATOM 1486 CG1 VAL A 102 5.835 -1.427 -4.607 1.00 0.00 C ATOM 1487 CG2 VAL A 102 5.790 0.616 -3.160 1.00 0.00 C ATOM 0 HA VAL A 102 3.425 -1.599 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 102 5.702 -1.401 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.924 -1.372 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.524 -2.470 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.435 -0.876 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.879 0.641 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.389 1.224 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.446 1.013 -2.205 1.00 0.00 H new ATOM 1497 N LEU A 103 2.326 -2.212 -1.851 1.00 0.00 N ATOM 1498 CA LEU A 103 1.809 -2.730 -0.589 1.00 0.00 C ATOM 1499 C LEU A 103 0.934 -3.956 -0.819 1.00 0.00 C ATOM 1500 O LEU A 103 -0.204 -3.842 -1.275 1.00 0.00 O ATOM 1501 CB LEU A 103 1.007 -1.647 0.138 1.00 0.00 C ATOM 1502 CG LEU A 103 0.598 -0.458 -0.732 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -0.782 0.043 -0.333 1.00 0.00 C ATOM 1504 CD2 LEU A 103 1.625 0.658 -0.625 1.00 0.00 C ATOM 0 H LEU A 103 1.852 -2.571 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 103 2.658 -3.024 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.108 -2.100 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.598 -1.279 0.977 1.00 0.00 H new ATOM 0 HG LEU A 103 0.557 -0.787 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.058 0.889 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.511 -0.757 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.768 0.356 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.318 1.496 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.698 0.987 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.596 0.292 -0.959 1.00 0.00 H new ATOM 1516 N VAL A 104 1.470 -5.128 -0.498 1.00 0.00 N ATOM 1517 CA VAL A 104 0.734 -6.376 -0.667 1.00 0.00 C ATOM 1518 C VAL A 104 0.319 -6.945 0.688 1.00 0.00 C ATOM 1519 O VAL A 104 0.993 -6.728 1.691 1.00 0.00 O ATOM 1520 CB VAL A 104 1.564 -7.420 -1.458 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.554 -6.719 -2.374 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.278 -8.404 -0.539 1.00 0.00 C ATOM 0 H VAL A 104 2.411 -5.240 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.164 -6.154 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 104 0.869 -8.001 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.131 -7.463 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.013 -6.086 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.229 -6.105 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.846 -9.115 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.956 -7.861 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.543 -8.941 0.061 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.787 -7.680 0.710 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.274 -8.276 1.948 1.00 0.00 C ATOM 1534 C GLN A 105 -0.675 -9.663 2.153 1.00 0.00 C ATOM 1535 O GLN A 105 -1.275 -10.671 1.779 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.801 -8.364 1.931 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.486 -7.195 2.623 1.00 0.00 C ATOM 1538 CD GLN A 105 -3.887 -7.516 4.049 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -3.126 -7.283 4.987 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -5.089 -8.056 4.218 1.00 0.00 N ATOM 0 H GLN A 105 -1.360 -7.877 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.964 -7.639 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.142 -8.414 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.109 -9.292 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.817 -6.335 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.372 -6.910 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.687 -8.232 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.414 -8.295 5.155 1.00 0.00 H new ATOM 1549 N THR A 106 0.516 -9.707 2.746 1.00 0.00 N ATOM 1550 CA THR A 106 1.197 -10.972 2.997 1.00 0.00 C ATOM 1551 C THR A 106 0.763 -11.581 4.326 1.00 0.00 C ATOM 1552 O THR A 106 0.192 -10.898 5.176 1.00 0.00 O ATOM 1553 CB THR A 106 2.728 -10.799 3.002 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.092 -9.670 3.803 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.258 -10.615 1.588 1.00 0.00 C ATOM 0 H THR A 106 1.027 -8.882 3.061 1.00 0.00 H new ATOM 0 HA THR A 106 0.917 -11.643 2.185 1.00 0.00 H new ATOM 0 HB THR A 106 3.170 -11.701 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.303 -9.341 4.282 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.341 -10.495 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.006 -11.490 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.807 -9.728 1.143 1.00 0.00 H new ATOM 1563 N ARG A 107 1.041 -12.870 4.496 1.00 0.00 N ATOM 1564 CA ARG A 107 0.682 -13.575 5.722 1.00 0.00 C ATOM 1565 C ARG A 107 1.445 -14.891 5.833 1.00 0.00 C ATOM 1566 O ARG A 107 1.731 -15.541 4.827 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.824 -13.840 5.763 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.615 -13.015 4.761 1.00 0.00 C ATOM 1569 CD ARG A 107 -3.054 -13.491 4.660 1.00 0.00 C ATOM 1570 NE ARG A 107 -3.480 -14.206 5.860 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.296 -15.509 6.047 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -2.695 -16.235 5.114 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -3.711 -16.085 7.166 1.00 0.00 N ATOM 0 H ARG A 107 1.514 -13.447 3.801 1.00 0.00 H new ATOM 0 HA ARG A 107 0.954 -12.944 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.004 -14.898 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.194 -13.630 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.598 -11.966 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.141 -13.077 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.708 -12.635 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.160 -14.143 3.793 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.945 -13.675 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.374 -15.793 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.554 -17.235 5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.172 -15.528 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.569 -17.085 7.308 1.00 0.00 H new ATOM 1587 N GLY A 108 1.772 -15.278 7.062 1.00 0.00 N ATOM 1588 CA GLY A 108 2.498 -16.514 7.281 1.00 0.00 C ATOM 1589 C GLY A 108 2.898 -16.705 8.731 1.00 0.00 C ATOM 1590 O GLY A 108 2.047 -16.936 9.590 1.00 0.00 O ATOM 0 H GLY A 108 1.547 -14.757 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.881 -17.355 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.392 -16.522 6.657 1.00 0.00 H new ATOM 1594 N GLY A 109 4.195 -16.606 9.004 1.00 0.00 N ATOM 1595 CA GLY A 109 4.682 -16.772 10.360 1.00 0.00 C ATOM 1596 C GLY A 109 5.487 -15.580 10.838 1.00 0.00 C ATOM 1597 O GLY A 109 5.820 -15.481 12.019 1.00 0.00 O ATOM 0 H GLY A 109 4.917 -16.414 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.836 -16.927 11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.300 -17.668 10.414 1.00 0.00 H new ATOM 1601 N ASN A 110 5.800 -14.672 9.919 1.00 0.00 N ATOM 1602 CA ASN A 110 6.571 -13.480 10.254 1.00 0.00 C ATOM 1603 C ASN A 110 5.981 -12.244 9.582 1.00 0.00 C ATOM 1604 O ASN A 110 6.631 -11.203 9.497 1.00 0.00 O ATOM 1605 CB ASN A 110 8.031 -13.657 9.832 1.00 0.00 C ATOM 1606 CG ASN A 110 8.710 -14.797 10.565 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.077 -15.795 10.910 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.009 -14.654 10.808 1.00 0.00 N ATOM 0 H ASN A 110 5.532 -14.739 8.937 1.00 0.00 H new ATOM 0 HA ASN A 110 6.527 -13.340 11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.076 -13.841 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.576 -12.732 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.520 -15.388 11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.495 -13.810 10.504 1.00 0.00 H new ATOM 1615 N SER A 111 4.746 -12.369 9.106 1.00 0.00 N ATOM 1616 CA SER A 111 4.070 -11.261 8.442 1.00 0.00 C ATOM 1617 C SER A 111 2.634 -11.123 8.937 1.00 0.00 C ATOM 1618 O SER A 111 2.161 -10.018 9.200 1.00 0.00 O ATOM 1619 CB SER A 111 4.081 -11.465 6.926 1.00 0.00 C ATOM 1620 OG SER A 111 3.702 -12.788 6.586 1.00 0.00 O ATOM 0 H SER A 111 4.194 -13.225 9.168 1.00 0.00 H new ATOM 0 HA SER A 111 4.608 -10.344 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.400 -10.756 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.077 -11.257 6.535 1.00 0.00 H new ATOM 0 HG SER A 111 3.190 -12.777 5.750 1.00 0.00 H new ATOM 1626 N ASN A 112 1.945 -12.253 9.062 1.00 0.00 N ATOM 1627 CA ASN A 112 0.562 -12.256 9.525 1.00 0.00 C ATOM 1628 C ASN A 112 -0.191 -11.042 8.993 1.00 0.00 C ATOM 1629 O ASN A 112 -0.358 -10.046 9.696 1.00 0.00 O ATOM 1630 CB ASN A 112 0.514 -12.273 11.054 1.00 0.00 C ATOM 1631 CG ASN A 112 1.661 -13.055 11.661 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.618 -14.283 11.738 1.00 0.00 O ATOM 1633 ND2 ASN A 112 2.697 -12.346 12.096 1.00 0.00 N ATOM 0 H ASN A 112 2.321 -13.177 8.849 1.00 0.00 H new ATOM 0 HA ASN A 112 0.079 -13.156 9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.539 -11.249 11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.431 -12.708 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.499 -12.818 12.514 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.691 -11.329 12.012 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.641 -11.130 7.746 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.367 -10.030 7.141 1.00 0.00 C ATOM 1642 C GLY A 113 -0.583 -8.733 7.172 1.00 0.00 C ATOM 1643 O GLY A 113 -1.140 -7.670 7.442 1.00 0.00 O ATOM 0 H GLY A 113 -0.516 -11.944 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.607 -10.281 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.313 -9.892 7.664 1.00 0.00 H new ATOM 1647 N ALA A 114 0.715 -8.822 6.896 1.00 0.00 N ATOM 1648 CA ALA A 114 1.576 -7.648 6.896 1.00 0.00 C ATOM 1649 C ALA A 114 1.674 -7.038 5.505 1.00 0.00 C ATOM 1650 O ALA A 114 2.162 -7.671 4.570 1.00 0.00 O ATOM 1651 CB ALA A 114 2.960 -8.007 7.415 1.00 0.00 C ATOM 0 H ALA A 114 1.191 -9.695 6.670 1.00 0.00 H new ATOM 0 HA ALA A 114 1.133 -6.905 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.592 -7.119 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.879 -8.388 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.402 -8.771 6.775 1.00 0.00 H new ATOM 1657 N LEU A 115 1.210 -5.800 5.376 1.00 0.00 N ATOM 1658 CA LEU A 115 1.251 -5.105 4.099 1.00 0.00 C ATOM 1659 C LEU A 115 2.675 -5.071 3.559 1.00 0.00 C ATOM 1660 O LEU A 115 3.420 -4.124 3.807 1.00 0.00 O ATOM 1661 CB LEU A 115 0.710 -3.680 4.247 1.00 0.00 C ATOM 1662 CG LEU A 115 0.279 -3.009 2.939 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.195 -4.049 1.935 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -0.812 -1.984 3.203 1.00 0.00 C ATOM 0 H LEU A 115 0.802 -5.260 6.139 1.00 0.00 H new ATOM 0 HA LEU A 115 0.621 -5.646 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.143 -3.701 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.476 -3.064 4.718 1.00 0.00 H new ATOM 0 HG LEU A 115 1.141 -2.493 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.497 -3.553 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.615 -4.746 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.044 -4.594 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.107 -1.516 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.675 -2.478 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.437 -1.221 3.886 1.00 0.00 H new ATOM 1676 N CYS A 116 3.051 -6.115 2.825 1.00 0.00 N ATOM 1677 CA CYS A 116 4.393 -6.200 2.260 1.00 0.00 C ATOM 1678 C CYS A 116 4.849 -4.845 1.737 1.00 0.00 C ATOM 1679 O CYS A 116 4.087 -4.131 1.085 1.00 0.00 O ATOM 1680 CB CYS A 116 4.434 -7.235 1.137 1.00 0.00 C ATOM 1681 SG CYS A 116 6.112 -7.744 0.649 1.00 0.00 S ATOM 0 H CYS A 116 2.449 -6.909 2.609 1.00 0.00 H new ATOM 0 HA CYS A 116 5.074 -6.511 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.876 -8.117 1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 116 3.922 -6.828 0.265 1.00 0.00 H new ATOM 1686 N HIS A 117 6.098 -4.497 2.030 1.00 0.00 N ATOM 1687 CA HIS A 117 6.659 -3.225 1.594 1.00 0.00 C ATOM 1688 C HIS A 117 7.568 -3.417 0.386 1.00 0.00 C ATOM 1689 O HIS A 117 8.726 -3.814 0.522 1.00 0.00 O ATOM 1690 CB HIS A 117 7.442 -2.569 2.732 1.00 0.00 C ATOM 1691 CG HIS A 117 8.366 -1.483 2.274 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.041 -0.589 1.276 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.614 -1.149 2.683 1.00 0.00 C ATOM 1694 CE1 HIS A 117 9.048 0.246 1.090 1.00 0.00 C ATOM 1695 NE2 HIS A 117 10.014 -0.072 1.932 1.00 0.00 N ATOM 0 H HIS A 117 6.740 -5.079 2.568 1.00 0.00 H new ATOM 0 HA HIS A 117 5.833 -2.574 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.739 -2.156 3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.021 -3.333 3.251 1.00 0.00 H new ATOM 0 HD1 HIS A 117 7.160 -0.574 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.187 -1.639 3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.076 1.052 0.371 1.00 0.00 H new ATOM 1704 N PHE A 118 7.037 -3.128 -0.796 1.00 0.00 N ATOM 1705 CA PHE A 118 7.800 -3.265 -2.029 1.00 0.00 C ATOM 1706 C PHE A 118 8.414 -1.930 -2.437 1.00 0.00 C ATOM 1707 O PHE A 118 7.791 -0.878 -2.293 1.00 0.00 O ATOM 1708 CB PHE A 118 6.902 -3.782 -3.154 1.00 0.00 C ATOM 1709 CG PHE A 118 6.603 -5.252 -3.070 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.619 -5.725 -2.216 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.295 -6.160 -3.855 1.00 0.00 C ATOM 1712 CE1 PHE A 118 5.332 -7.075 -2.150 1.00 0.00 C ATOM 1713 CE2 PHE A 118 7.013 -7.510 -3.788 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.031 -7.967 -2.938 1.00 0.00 C ATOM 0 H PHE A 118 6.081 -2.797 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 118 8.603 -3.981 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.963 -3.229 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.379 -3.573 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.071 -5.031 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 118 8.064 -5.808 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.562 -7.432 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.563 -8.208 -4.402 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.808 -9.023 -2.888 1.00 0.00 H new ATOM 1724 N PRO A 119 9.651 -1.959 -2.951 1.00 0.00 N ATOM 1725 CA PRO A 119 10.414 -3.191 -3.134 1.00 0.00 C ATOM 1726 C PRO A 119 11.031 -3.683 -1.830 1.00 0.00 C ATOM 1727 O PRO A 119 11.132 -2.935 -0.857 1.00 0.00 O ATOM 1728 CB PRO A 119 11.528 -2.802 -4.128 1.00 0.00 C ATOM 1729 CG PRO A 119 11.220 -1.387 -4.520 1.00 0.00 C ATOM 1730 CD PRO A 119 10.410 -0.800 -3.404 1.00 0.00 C ATOM 0 HA PRO A 119 9.779 -4.003 -3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.513 -2.879 -3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.530 -3.461 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.138 -0.819 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.666 -1.357 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.038 -0.388 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.761 0.005 -3.748 1.00 0.00 H new ATOM 1738 N PHE A 120 11.458 -4.940 -1.824 1.00 0.00 N ATOM 1739 CA PHE A 120 12.083 -5.531 -0.647 1.00 0.00 C ATOM 1740 C PHE A 120 13.460 -6.080 -0.999 1.00 0.00 C ATOM 1741 O PHE A 120 13.612 -6.822 -1.970 1.00 0.00 O ATOM 1742 CB PHE A 120 11.202 -6.639 -0.065 1.00 0.00 C ATOM 1743 CG PHE A 120 11.062 -7.836 -0.959 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.065 -7.887 -1.921 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.924 -8.915 -0.836 1.00 0.00 C ATOM 1746 CE1 PHE A 120 9.931 -8.989 -2.743 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.796 -10.021 -1.656 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.797 -10.058 -2.610 1.00 0.00 C ATOM 0 H PHE A 120 11.383 -5.571 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 120 12.198 -4.753 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.619 -6.958 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.212 -6.233 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.385 -7.055 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.705 -8.891 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.150 -9.015 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.475 -10.854 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.693 -10.921 -3.251 1.00 0.00 H new ATOM 1758 N LEU A 121 14.465 -5.698 -0.219 1.00 0.00 N ATOM 1759 CA LEU A 121 15.831 -6.142 -0.466 1.00 0.00 C ATOM 1760 C LEU A 121 16.084 -7.528 0.114 1.00 0.00 C ATOM 1761 O LEU A 121 15.728 -7.815 1.258 1.00 0.00 O ATOM 1762 CB LEU A 121 16.831 -5.136 0.113 1.00 0.00 C ATOM 1763 CG LEU A 121 18.306 -5.537 0.005 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.618 -6.709 0.923 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.646 -5.870 -1.434 1.00 0.00 C ATOM 0 H LEU A 121 14.360 -5.083 0.588 1.00 0.00 H new ATOM 0 HA LEU A 121 15.969 -6.202 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.694 -4.181 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.592 -4.976 1.164 1.00 0.00 H new ATOM 0 HG LEU A 121 18.922 -4.696 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.671 -6.975 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.406 -6.429 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 121 18.001 -7.564 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.696 -6.154 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.023 -6.698 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.464 -4.998 -2.062 1.00 0.00 H new ATOM 1777 N TYR A 122 16.720 -8.377 -0.687 1.00 0.00 N ATOM 1778 CA TYR A 122 17.053 -9.734 -0.272 1.00 0.00 C ATOM 1779 C TYR A 122 18.551 -9.963 -0.416 1.00 0.00 C ATOM 1780 O TYR A 122 19.096 -9.867 -1.516 1.00 0.00 O ATOM 1781 CB TYR A 122 16.288 -10.757 -1.114 1.00 0.00 C ATOM 1782 CG TYR A 122 16.648 -12.192 -0.798 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.922 -12.683 -1.056 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.715 -13.052 -0.239 1.00 0.00 C ATOM 1785 CE1 TYR A 122 18.254 -13.992 -0.763 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.038 -14.363 0.056 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.309 -14.828 -0.208 1.00 0.00 C ATOM 1788 OH TYR A 122 17.635 -16.132 0.084 1.00 0.00 O ATOM 0 H TYR A 122 17.017 -8.146 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 122 16.766 -9.860 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.218 -10.617 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.484 -10.566 -2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.664 -12.031 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.719 -12.691 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.249 -14.358 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.299 -15.020 0.491 1.00 0.00 H new ATOM 0 HH TYR A 122 16.857 -16.585 0.471 1.00 0.00 H new ATOM 1798 N ASN A 123 19.220 -10.252 0.694 1.00 0.00 N ATOM 1799 CA ASN A 123 20.658 -10.474 0.663 1.00 0.00 C ATOM 1800 C ASN A 123 21.324 -9.418 -0.213 1.00 0.00 C ATOM 1801 O ASN A 123 21.953 -9.738 -1.221 1.00 0.00 O ATOM 1802 CB ASN A 123 20.973 -11.873 0.133 1.00 0.00 C ATOM 1803 CG ASN A 123 20.439 -12.969 1.035 1.00 0.00 C ATOM 1804 OD1 ASN A 123 19.557 -12.733 1.861 1.00 0.00 O ATOM 1805 ND2 ASN A 123 20.973 -14.175 0.882 1.00 0.00 N ATOM 0 H ASN A 123 18.794 -10.337 1.617 1.00 0.00 H new ATOM 0 HA ASN A 123 21.048 -10.395 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 123 20.545 -11.986 -0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 123 22.052 -11.985 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 123 20.654 -14.951 1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 123 21.702 -14.325 0.185 1.00 0.00 H new ATOM 1812 N ASN A 124 21.162 -8.157 0.176 1.00 0.00 N ATOM 1813 CA ASN A 124 21.726 -7.039 -0.573 1.00 0.00 C ATOM 1814 C ASN A 124 21.390 -7.160 -2.057 1.00 0.00 C ATOM 1815 O ASN A 124 22.098 -6.628 -2.913 1.00 0.00 O ATOM 1816 CB ASN A 124 23.243 -6.960 -0.377 1.00 0.00 C ATOM 1817 CG ASN A 124 23.900 -8.325 -0.332 1.00 0.00 C ATOM 1818 OD1 ASN A 124 24.314 -8.862 -1.360 1.00 0.00 O ATOM 1819 ND2 ASN A 124 23.999 -8.896 0.863 1.00 0.00 N ATOM 0 H ASN A 124 20.642 -7.883 1.010 1.00 0.00 H new ATOM 0 HA ASN A 124 21.282 -6.120 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.680 -6.378 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.458 -6.427 0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 124 24.432 -9.815 0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 124 23.643 -8.415 1.689 1.00 0.00 H new ATOM 1826 N HIS A 125 20.295 -7.854 -2.348 1.00 0.00 N ATOM 1827 CA HIS A 125 19.839 -8.041 -3.720 1.00 0.00 C ATOM 1828 C HIS A 125 18.397 -7.563 -3.868 1.00 0.00 C ATOM 1829 O HIS A 125 17.461 -8.360 -3.820 1.00 0.00 O ATOM 1830 CB HIS A 125 19.948 -9.513 -4.123 1.00 0.00 C ATOM 1831 CG HIS A 125 20.412 -9.716 -5.531 1.00 0.00 C ATOM 1832 ND1 HIS A 125 21.602 -10.339 -5.850 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.841 -9.375 -6.712 1.00 0.00 C ATOM 1834 CE1 HIS A 125 21.742 -10.372 -7.163 1.00 0.00 C ATOM 1835 NE2 HIS A 125 20.688 -9.795 -7.708 1.00 0.00 N ATOM 0 H HIS A 125 19.703 -8.299 -1.646 1.00 0.00 H new ATOM 0 HA HIS A 125 20.475 -7.450 -4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.638 -10.016 -3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.975 -9.988 -3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.897 -8.868 -6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 125 22.577 -10.799 -7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 125 20.528 -9.679 -8.709 1.00 0.00 H new ATOM 1844 N ASN A 126 18.228 -6.254 -4.030 1.00 0.00 N ATOM 1845 CA ASN A 126 16.903 -5.657 -4.168 1.00 0.00 C ATOM 1846 C ASN A 126 15.950 -6.591 -4.911 1.00 0.00 C ATOM 1847 O ASN A 126 16.370 -7.380 -5.757 1.00 0.00 O ATOM 1848 CB ASN A 126 16.999 -4.322 -4.907 1.00 0.00 C ATOM 1849 CG ASN A 126 16.914 -3.134 -3.969 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.913 -2.419 -3.947 1.00 0.00 O ATOM 1851 ND2 ASN A 126 17.969 -2.922 -3.189 1.00 0.00 N ATOM 0 H ASN A 126 18.996 -5.584 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 126 16.507 -5.488 -3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.940 -4.281 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.197 -4.259 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 126 17.971 -2.138 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.776 -3.543 -3.243 1.00 0.00 H new ATOM 1857 N TYR A 127 14.661 -6.493 -4.591 1.00 0.00 N ATOM 1858 CA TYR A 127 13.645 -7.323 -5.230 1.00 0.00 C ATOM 1859 C TYR A 127 12.349 -6.539 -5.422 1.00 0.00 C ATOM 1860 O TYR A 127 12.105 -5.550 -4.731 1.00 0.00 O ATOM 1861 CB TYR A 127 13.375 -8.576 -4.394 1.00 0.00 C ATOM 1862 CG TYR A 127 14.136 -9.795 -4.864 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.638 -10.599 -5.882 1.00 0.00 C ATOM 1864 CD2 TYR A 127 15.351 -10.141 -4.289 1.00 0.00 C ATOM 1865 CE1 TYR A 127 14.332 -11.714 -6.313 1.00 0.00 C ATOM 1866 CE2 TYR A 127 16.051 -11.253 -4.714 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.538 -12.036 -5.727 1.00 0.00 C ATOM 1868 OH TYR A 127 16.231 -13.145 -6.153 1.00 0.00 O ATOM 0 H TYR A 127 14.296 -5.846 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 127 14.020 -7.623 -6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.637 -8.373 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.307 -8.794 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.694 -10.349 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.756 -9.530 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.932 -12.330 -7.105 1.00 0.00 H new ATOM 0 HE2 TYR A 127 16.995 -11.508 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 127 17.061 -13.230 -5.639 1.00 0.00 H new ATOM 1878 N THR A 128 11.522 -6.985 -6.364 1.00 0.00 N ATOM 1879 CA THR A 128 10.254 -6.319 -6.640 1.00 0.00 C ATOM 1880 C THR A 128 9.192 -7.310 -7.096 1.00 0.00 C ATOM 1881 O THR A 128 8.736 -7.268 -8.239 1.00 0.00 O ATOM 1882 CB THR A 128 10.412 -5.226 -7.715 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.955 -5.793 -8.913 1.00 0.00 O ATOM 1884 CG2 THR A 128 11.317 -4.107 -7.223 1.00 0.00 C ATOM 0 H THR A 128 11.707 -7.802 -6.947 1.00 0.00 H new ATOM 0 HA THR A 128 9.936 -5.858 -5.705 1.00 0.00 H new ATOM 0 HB THR A 128 9.427 -4.809 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.341 -6.473 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.413 -3.348 -8.000 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.887 -3.658 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.301 -4.512 -6.988 1.00 0.00 H new ATOM 1892 N ASP A 129 8.796 -8.194 -6.190 1.00 0.00 N ATOM 1893 CA ASP A 129 7.778 -9.193 -6.485 1.00 0.00 C ATOM 1894 C ASP A 129 7.874 -10.364 -5.517 1.00 0.00 C ATOM 1895 O ASP A 129 8.966 -10.798 -5.155 1.00 0.00 O ATOM 1896 CB ASP A 129 7.909 -9.687 -7.927 1.00 0.00 C ATOM 1897 CG ASP A 129 7.168 -10.988 -8.165 1.00 0.00 C ATOM 1898 OD1 ASP A 129 5.927 -10.997 -8.028 1.00 0.00 O ATOM 1899 OD2 ASP A 129 7.828 -11.998 -8.487 1.00 0.00 O ATOM 0 H ASP A 129 9.166 -8.239 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 129 6.801 -8.725 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.525 -8.925 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.964 -9.824 -8.166 1.00 0.00 H new ATOM 1904 N CYS A 130 6.717 -10.860 -5.098 1.00 0.00 N ATOM 1905 CA CYS A 130 6.659 -11.974 -4.165 1.00 0.00 C ATOM 1906 C CYS A 130 7.558 -13.118 -4.621 1.00 0.00 C ATOM 1907 O CYS A 130 7.108 -14.042 -5.299 1.00 0.00 O ATOM 1908 CB CYS A 130 5.217 -12.469 -4.019 1.00 0.00 C ATOM 1909 SG CYS A 130 3.974 -11.138 -3.962 1.00 0.00 S ATOM 0 H CYS A 130 5.806 -10.507 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 130 7.016 -11.622 -3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 130 4.986 -13.132 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.139 -13.063 -3.109 1.00 0.00 H new ATOM 1914 N THR A 131 8.831 -13.048 -4.246 1.00 0.00 N ATOM 1915 CA THR A 131 9.794 -14.077 -4.618 1.00 0.00 C ATOM 1916 C THR A 131 9.593 -15.342 -3.791 1.00 0.00 C ATOM 1917 O THR A 131 9.262 -15.275 -2.607 1.00 0.00 O ATOM 1918 CB THR A 131 11.242 -13.584 -4.435 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.162 -14.628 -4.776 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.484 -13.136 -3.002 1.00 0.00 C ATOM 0 H THR A 131 9.219 -12.290 -3.685 1.00 0.00 H new ATOM 0 HA THR A 131 9.625 -14.303 -5.671 1.00 0.00 H new ATOM 0 HB THR A 131 11.399 -12.732 -5.096 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.080 -14.306 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.513 -12.792 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 131 10.803 -12.322 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.310 -13.972 -2.325 1.00 0.00 H new ATOM 1928 N SER A 132 9.793 -16.494 -4.423 1.00 0.00 N ATOM 1929 CA SER A 132 9.634 -17.775 -3.745 1.00 0.00 C ATOM 1930 C SER A 132 10.986 -18.449 -3.529 1.00 0.00 C ATOM 1931 O SER A 132 11.110 -19.666 -3.659 1.00 0.00 O ATOM 1932 CB SER A 132 8.717 -18.693 -4.555 1.00 0.00 C ATOM 1933 OG SER A 132 7.507 -18.038 -4.891 1.00 0.00 O ATOM 0 H SER A 132 10.065 -16.566 -5.403 1.00 0.00 H new ATOM 0 HA SER A 132 9.182 -17.589 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 132 9.227 -19.011 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.499 -19.593 -3.981 1.00 0.00 H new ATOM 0 HG SER A 132 6.939 -18.645 -5.410 1.00 0.00 H new ATOM 1939 N GLU A 133 11.994 -17.649 -3.199 1.00 0.00 N ATOM 1940 CA GLU A 133 13.336 -18.169 -2.965 1.00 0.00 C ATOM 1941 C GLU A 133 13.370 -19.049 -1.720 1.00 0.00 C ATOM 1942 O GLU A 133 12.732 -18.742 -0.713 1.00 0.00 O ATOM 1943 CB GLU A 133 14.333 -17.017 -2.816 1.00 0.00 C ATOM 1944 CG GLU A 133 15.538 -17.135 -3.735 1.00 0.00 C ATOM 1945 CD GLU A 133 16.316 -18.418 -3.517 1.00 0.00 C ATOM 1946 OE1 GLU A 133 16.279 -18.950 -2.388 1.00 0.00 O ATOM 1947 OE2 GLU A 133 16.961 -18.890 -4.476 1.00 0.00 O ATOM 0 H GLU A 133 11.907 -16.639 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 133 13.618 -18.777 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 133 13.822 -16.076 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.677 -16.976 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.205 -17.088 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.198 -16.283 -3.573 1.00 0.00 H new ATOM 1954 N GLY A 134 14.118 -20.146 -1.797 1.00 0.00 N ATOM 1955 CA GLY A 134 14.221 -21.054 -0.670 1.00 0.00 C ATOM 1956 C GLY A 134 12.888 -21.681 -0.308 1.00 0.00 C ATOM 1957 O GLY A 134 12.699 -22.147 0.815 1.00 0.00 O ATOM 0 H GLY A 134 14.654 -20.422 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.937 -21.841 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.612 -20.515 0.193 1.00 0.00 H new ATOM 1961 N ARG A 135 11.963 -21.692 -1.261 1.00 0.00 N ATOM 1962 CA ARG A 135 10.641 -22.268 -1.038 1.00 0.00 C ATOM 1963 C ARG A 135 10.396 -23.448 -1.963 1.00 0.00 C ATOM 1964 O ARG A 135 9.717 -24.406 -1.596 1.00 0.00 O ATOM 1965 CB ARG A 135 9.554 -21.217 -1.266 1.00 0.00 C ATOM 1966 CG ARG A 135 9.721 -19.979 -0.410 1.00 0.00 C ATOM 1967 CD ARG A 135 8.847 -20.036 0.834 1.00 0.00 C ATOM 1968 NE ARG A 135 8.407 -21.397 1.132 1.00 0.00 N ATOM 1969 CZ ARG A 135 9.094 -22.245 1.892 1.00 0.00 C ATOM 1970 NH1 ARG A 135 10.251 -21.878 2.424 1.00 0.00 N ATOM 1971 NH2 ARG A 135 8.624 -23.464 2.118 1.00 0.00 N ATOM 0 H ARG A 135 12.104 -21.309 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 135 10.603 -22.614 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.556 -20.926 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.581 -21.662 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.766 -19.877 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.466 -19.095 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.401 -19.640 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.976 -19.396 0.695 1.00 0.00 H new ATOM 0 HE ARG A 135 7.523 -21.715 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 135 10.618 -20.942 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 135 10.775 -22.531 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.735 -23.752 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 135 9.151 -24.114 2.701 1.00 0.00 H new ATOM 1985 N ARG A 136 10.934 -23.362 -3.174 1.00 0.00 N ATOM 1986 CA ARG A 136 10.749 -24.415 -4.161 1.00 0.00 C ATOM 1987 C ARG A 136 9.325 -24.955 -4.094 1.00 0.00 C ATOM 1988 O ARG A 136 9.072 -26.116 -4.413 1.00 0.00 O ATOM 1989 CB ARG A 136 11.758 -25.552 -3.948 1.00 0.00 C ATOM 1990 CG ARG A 136 12.026 -25.881 -2.488 1.00 0.00 C ATOM 1991 CD ARG A 136 10.883 -26.673 -1.873 1.00 0.00 C ATOM 1992 NE ARG A 136 10.677 -26.337 -0.469 1.00 0.00 N ATOM 1993 CZ ARG A 136 9.672 -26.808 0.262 1.00 0.00 C ATOM 1994 NH1 ARG A 136 8.785 -27.632 -0.281 1.00 0.00 N ATOM 1995 NH2 ARG A 136 9.551 -26.456 1.534 1.00 0.00 N ATOM 0 H ARG A 136 11.500 -22.576 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 136 10.921 -23.989 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.391 -26.448 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.699 -25.282 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.950 -26.453 -2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.172 -24.958 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 136 9.967 -26.479 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.091 -27.739 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 136 11.342 -25.705 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 136 8.874 -27.904 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.014 -27.993 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 136 10.230 -25.822 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 136 8.779 -26.819 2.092 1.00 0.00 H new ATOM 2009 N ASP A 137 8.394 -24.096 -3.676 1.00 0.00 N ATOM 2010 CA ASP A 137 6.992 -24.483 -3.568 1.00 0.00 C ATOM 2011 C ASP A 137 6.076 -23.297 -3.846 1.00 0.00 C ATOM 2012 O ASP A 137 6.317 -22.189 -3.367 1.00 0.00 O ATOM 2013 CB ASP A 137 6.701 -25.048 -2.176 1.00 0.00 C ATOM 2014 CG ASP A 137 7.212 -24.152 -1.065 1.00 0.00 C ATOM 2015 OD1 ASP A 137 6.925 -22.936 -1.102 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.899 -24.665 -0.156 1.00 0.00 O ATOM 0 H ASP A 137 8.588 -23.131 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 137 6.798 -25.253 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.626 -25.186 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.160 -26.032 -2.084 1.00 0.00 H new ATOM 2021 N ASN A 138 5.025 -23.537 -4.624 1.00 0.00 N ATOM 2022 CA ASN A 138 4.073 -22.489 -4.967 1.00 0.00 C ATOM 2023 C ASN A 138 3.615 -21.738 -3.721 1.00 0.00 C ATOM 2024 O ASN A 138 2.590 -22.071 -3.124 1.00 0.00 O ATOM 2025 CB ASN A 138 2.863 -23.087 -5.689 1.00 0.00 C ATOM 2026 CG ASN A 138 2.512 -22.330 -6.954 1.00 0.00 C ATOM 2027 OD1 ASN A 138 1.824 -21.310 -6.909 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.983 -22.827 -8.092 1.00 0.00 N ATOM 0 H ASN A 138 4.812 -24.449 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 138 4.573 -21.783 -5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 138 3.070 -24.128 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.005 -23.084 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.778 -22.360 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.549 -23.675 -8.082 1.00 0.00 H new ATOM 2035 N MET A 139 4.381 -20.723 -3.333 1.00 0.00 N ATOM 2036 CA MET A 139 4.055 -19.925 -2.157 1.00 0.00 C ATOM 2037 C MET A 139 4.710 -18.551 -2.236 1.00 0.00 C ATOM 2038 O MET A 139 5.433 -18.144 -1.326 1.00 0.00 O ATOM 2039 CB MET A 139 4.503 -20.646 -0.885 1.00 0.00 C ATOM 2040 CG MET A 139 3.368 -20.928 0.086 1.00 0.00 C ATOM 2041 SD MET A 139 3.809 -22.156 1.331 1.00 0.00 S ATOM 2042 CE MET A 139 2.631 -21.764 2.624 1.00 0.00 C ATOM 0 H MET A 139 5.232 -20.434 -3.816 1.00 0.00 H new ATOM 0 HA MET A 139 2.974 -19.791 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.978 -21.588 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.259 -20.043 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 139 3.080 -20.001 0.582 1.00 0.00 H new ATOM 0 HG3 MET A 139 2.497 -21.276 -0.470 1.00 0.00 H new ATOM 0 HE1 MET A 139 2.777 -22.440 3.467 1.00 0.00 H new ATOM 0 HE2 MET A 139 2.781 -20.736 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 139 1.617 -21.878 2.239 1.00 0.00 H new ATOM 2052 N LYS A 140 4.452 -17.840 -3.329 1.00 0.00 N ATOM 2053 CA LYS A 140 5.017 -16.510 -3.529 1.00 0.00 C ATOM 2054 C LYS A 140 5.101 -15.750 -2.208 1.00 0.00 C ATOM 2055 O LYS A 140 4.150 -15.739 -1.426 1.00 0.00 O ATOM 2056 CB LYS A 140 4.173 -15.722 -4.532 1.00 0.00 C ATOM 2057 CG LYS A 140 2.729 -16.190 -4.613 1.00 0.00 C ATOM 2058 CD LYS A 140 1.845 -15.156 -5.290 1.00 0.00 C ATOM 2059 CE LYS A 140 2.347 -14.820 -6.685 1.00 0.00 C ATOM 2060 NZ LYS A 140 2.636 -13.368 -6.837 1.00 0.00 N ATOM 0 H LYS A 140 3.855 -18.163 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 140 6.026 -16.626 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.189 -14.667 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.628 -15.802 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.680 -17.129 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.354 -16.390 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 140 0.824 -15.533 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.815 -14.250 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 140 3.250 -15.394 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 140 1.601 -15.121 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.544 -13.099 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.962 -12.818 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 3.605 -13.171 -6.513 1.00 0.00 H new ATOM 2074 N TRP A 141 6.244 -15.117 -1.967 1.00 0.00 N ATOM 2075 CA TRP A 141 6.453 -14.356 -0.741 1.00 0.00 C ATOM 2076 C TRP A 141 7.415 -13.195 -0.978 1.00 0.00 C ATOM 2077 O TRP A 141 8.235 -13.232 -1.894 1.00 0.00 O ATOM 2078 CB TRP A 141 6.996 -15.267 0.361 1.00 0.00 C ATOM 2079 CG TRP A 141 8.409 -15.703 0.126 1.00 0.00 C ATOM 2080 CD1 TRP A 141 8.829 -16.925 -0.312 1.00 0.00 C ATOM 2081 CD2 TRP A 141 9.591 -14.917 0.317 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.200 -16.948 -0.406 1.00 0.00 N ATOM 2083 CE2 TRP A 141 10.690 -15.727 -0.025 1.00 0.00 C ATOM 2084 CE3 TRP A 141 9.825 -13.607 0.744 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.003 -15.268 0.047 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.128 -13.153 0.814 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.202 -13.982 0.467 1.00 0.00 C ATOM 0 H TRP A 141 7.040 -15.116 -2.605 1.00 0.00 H new ATOM 0 HA TRP A 141 5.492 -13.949 -0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 141 6.938 -14.745 1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.360 -16.148 0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.179 -17.754 -0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 141 10.761 -17.744 -0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.002 -12.961 1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 12.834 -15.905 -0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.321 -12.142 1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.209 -13.597 0.533 1.00 0.00 H new ATOM 2098 N CYS A 142 7.308 -12.167 -0.142 1.00 0.00 N ATOM 2099 CA CYS A 142 8.167 -10.993 -0.255 1.00 0.00 C ATOM 2100 C CYS A 142 8.572 -10.486 1.125 1.00 0.00 C ATOM 2101 O CYS A 142 8.335 -11.149 2.135 1.00 0.00 O ATOM 2102 CB CYS A 142 7.452 -9.885 -1.029 1.00 0.00 C ATOM 2103 SG CYS A 142 5.804 -9.469 -0.374 1.00 0.00 S ATOM 0 H CYS A 142 6.634 -12.123 0.622 1.00 0.00 H new ATOM 0 HA CYS A 142 9.068 -11.281 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 142 8.073 -8.989 -1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.351 -10.190 -2.071 1.00 0.00 H new ATOM 2108 N GLY A 143 9.185 -9.307 1.161 1.00 0.00 N ATOM 2109 CA GLY A 143 9.612 -8.733 2.424 1.00 0.00 C ATOM 2110 C GLY A 143 8.646 -7.687 2.945 1.00 0.00 C ATOM 2111 O GLY A 143 8.221 -6.797 2.207 1.00 0.00 O ATOM 0 H GLY A 143 9.393 -8.740 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.715 -9.527 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.597 -8.283 2.300 1.00 0.00 H new ATOM 2115 N THR A 144 8.297 -7.792 4.223 1.00 0.00 N ATOM 2116 CA THR A 144 7.378 -6.847 4.844 1.00 0.00 C ATOM 2117 C THR A 144 8.062 -5.511 5.111 1.00 0.00 C ATOM 2118 O THR A 144 7.444 -4.578 5.624 1.00 0.00 O ATOM 2119 CB THR A 144 6.815 -7.397 6.166 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.834 -8.112 6.874 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.629 -8.315 5.909 1.00 0.00 C ATOM 0 H THR A 144 8.637 -8.522 4.848 1.00 0.00 H new ATOM 0 HA THR A 144 6.556 -6.698 4.144 1.00 0.00 H new ATOM 0 HB THR A 144 6.478 -6.554 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.486 -8.983 7.157 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.248 -8.692 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.843 -7.759 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 144 5.945 -9.152 5.287 1.00 0.00 H new ATOM 2129 N THR A 145 9.343 -5.423 4.760 1.00 0.00 N ATOM 2130 CA THR A 145 10.110 -4.202 4.962 1.00 0.00 C ATOM 2131 C THR A 145 10.912 -3.847 3.713 1.00 0.00 C ATOM 2132 O THR A 145 10.646 -4.361 2.627 1.00 0.00 O ATOM 2133 CB THR A 145 11.070 -4.333 6.159 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.133 -5.238 5.839 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.329 -4.828 7.393 1.00 0.00 C ATOM 0 H THR A 145 9.870 -6.185 4.334 1.00 0.00 H new ATOM 0 HA THR A 145 9.394 -3.407 5.169 1.00 0.00 H new ATOM 0 HB THR A 145 11.486 -3.348 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.819 -6.161 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.026 -4.913 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.540 -4.122 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.890 -5.804 7.186 1.00 0.00 H new ATOM 2143 N GLN A 146 11.894 -2.966 3.875 1.00 0.00 N ATOM 2144 CA GLN A 146 12.731 -2.542 2.758 1.00 0.00 C ATOM 2145 C GLN A 146 13.954 -3.446 2.613 1.00 0.00 C ATOM 2146 O GLN A 146 14.747 -3.284 1.685 1.00 0.00 O ATOM 2147 CB GLN A 146 13.175 -1.091 2.950 1.00 0.00 C ATOM 2148 CG GLN A 146 14.335 -0.932 3.920 1.00 0.00 C ATOM 2149 CD GLN A 146 14.123 0.203 4.903 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.913 1.350 4.508 1.00 0.00 O ATOM 2151 NE2 GLN A 146 14.175 -0.112 6.192 1.00 0.00 N ATOM 0 H GLN A 146 12.130 -2.532 4.768 1.00 0.00 H new ATOM 0 HA GLN A 146 12.139 -2.618 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.461 -0.677 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 146 12.329 -0.506 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.474 -1.863 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.252 -0.754 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.352 -1.076 6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.038 0.610 6.899 1.00 0.00 H new ATOM 2160 N ASN A 147 14.101 -4.393 3.533 1.00 0.00 N ATOM 2161 CA ASN A 147 15.228 -5.321 3.503 1.00 0.00 C ATOM 2162 C ASN A 147 14.879 -6.618 4.225 1.00 0.00 C ATOM 2163 O ASN A 147 15.231 -6.807 5.390 1.00 0.00 O ATOM 2164 CB ASN A 147 16.461 -4.681 4.146 1.00 0.00 C ATOM 2165 CG ASN A 147 16.370 -3.168 4.200 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.372 -2.497 3.168 1.00 0.00 O ATOM 2167 ND2 ASN A 147 16.291 -2.623 5.408 1.00 0.00 N ATOM 0 H ASN A 147 13.455 -4.539 4.309 1.00 0.00 H new ATOM 0 HA ASN A 147 15.450 -5.552 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.583 -5.071 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.350 -4.968 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 147 16.229 -1.610 5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.293 -3.218 6.237 1.00 0.00 H new ATOM 2174 N TYR A 148 14.182 -7.506 3.526 1.00 0.00 N ATOM 2175 CA TYR A 148 13.780 -8.786 4.097 1.00 0.00 C ATOM 2176 C TYR A 148 14.923 -9.419 4.885 1.00 0.00 C ATOM 2177 O TYR A 148 14.809 -9.644 6.089 1.00 0.00 O ATOM 2178 CB TYR A 148 13.318 -9.737 2.989 1.00 0.00 C ATOM 2179 CG TYR A 148 13.358 -11.196 3.381 1.00 0.00 C ATOM 2180 CD1 TYR A 148 13.032 -11.601 4.668 1.00 0.00 C ATOM 2181 CD2 TYR A 148 13.723 -12.170 2.460 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.068 -12.935 5.027 1.00 0.00 C ATOM 2183 CE2 TYR A 148 13.761 -13.505 2.810 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.433 -13.883 4.095 1.00 0.00 C ATOM 2185 OH TYR A 148 13.470 -15.213 4.448 1.00 0.00 O ATOM 0 H TYR A 148 13.883 -7.363 2.561 1.00 0.00 H new ATOM 0 HA TYR A 148 12.952 -8.605 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.300 -9.476 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.946 -9.589 2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.745 -10.861 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 148 13.981 -11.878 1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.811 -13.233 6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.046 -14.249 2.081 1.00 0.00 H new ATOM 0 HH TYR A 148 13.745 -15.749 3.675 1.00 0.00 H new ATOM 2195 N ASP A 149 16.023 -9.706 4.198 1.00 0.00 N ATOM 2196 CA ASP A 149 17.185 -10.316 4.835 1.00 0.00 C ATOM 2197 C ASP A 149 17.832 -9.353 5.826 1.00 0.00 C ATOM 2198 O ASP A 149 18.491 -9.776 6.777 1.00 0.00 O ATOM 2199 CB ASP A 149 18.208 -10.742 3.782 1.00 0.00 C ATOM 2200 CG ASP A 149 19.201 -11.755 4.316 1.00 0.00 C ATOM 2201 OD1 ASP A 149 20.244 -11.334 4.859 1.00 0.00 O ATOM 2202 OD2 ASP A 149 18.937 -12.969 4.190 1.00 0.00 O ATOM 0 H ASP A 149 16.135 -9.526 3.200 1.00 0.00 H new ATOM 0 HA ASP A 149 16.846 -11.197 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.687 -11.166 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.746 -9.863 3.426 1.00 0.00 H new ATOM 2207 N ALA A 150 17.639 -8.058 5.599 1.00 0.00 N ATOM 2208 CA ALA A 150 18.204 -7.038 6.471 1.00 0.00 C ATOM 2209 C ALA A 150 17.181 -6.570 7.502 1.00 0.00 C ATOM 2210 O ALA A 150 17.366 -5.542 8.153 1.00 0.00 O ATOM 2211 CB ALA A 150 18.705 -5.860 5.649 1.00 0.00 C ATOM 0 H ALA A 150 17.095 -7.691 4.818 1.00 0.00 H new ATOM 0 HA ALA A 150 19.046 -7.477 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 150 19.125 -5.105 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 150 19.474 -6.201 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.876 -5.429 5.088 1.00 0.00 H new ATOM 2217 N ASP A 151 16.102 -7.332 7.642 1.00 0.00 N ATOM 2218 CA ASP A 151 15.048 -6.997 8.594 1.00 0.00 C ATOM 2219 C ASP A 151 14.568 -8.241 9.335 1.00 0.00 C ATOM 2220 O ASP A 151 14.305 -8.196 10.537 1.00 0.00 O ATOM 2221 CB ASP A 151 13.874 -6.333 7.874 1.00 0.00 C ATOM 2222 CG ASP A 151 13.182 -5.292 8.732 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.963 -5.564 9.932 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.859 -4.208 8.205 1.00 0.00 O ATOM 0 H ASP A 151 15.934 -8.185 7.109 1.00 0.00 H new ATOM 0 HA ASP A 151 15.460 -6.299 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 151 14.232 -5.864 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 151 13.153 -7.096 7.581 1.00 0.00 H new ATOM 2229 N GLN A 152 14.454 -9.350 8.610 1.00 0.00 N ATOM 2230 CA GLN A 152 14.004 -10.607 9.199 1.00 0.00 C ATOM 2231 C GLN A 152 12.481 -10.687 9.214 1.00 0.00 C ATOM 2232 O GLN A 152 11.903 -11.564 9.855 1.00 0.00 O ATOM 2233 CB GLN A 152 14.549 -10.754 10.620 1.00 0.00 C ATOM 2234 CG GLN A 152 14.665 -12.199 11.080 1.00 0.00 C ATOM 2235 CD GLN A 152 16.002 -12.818 10.727 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.012 -12.559 11.383 1.00 0.00 O ATOM 2237 NE2 GLN A 152 16.017 -13.642 9.686 1.00 0.00 N ATOM 0 H GLN A 152 14.667 -9.404 7.614 1.00 0.00 H new ATOM 0 HA GLN A 152 14.386 -11.423 8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.531 -10.284 10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 152 13.899 -10.213 11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.521 -12.245 12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 152 13.866 -12.786 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 152 15.157 -13.828 9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 152 16.889 -14.089 9.402 1.00 0.00 H new ATOM 2246 N LYS A 153 11.837 -9.768 8.504 1.00 0.00 N ATOM 2247 CA LYS A 153 10.381 -9.736 8.435 1.00 0.00 C ATOM 2248 C LYS A 153 9.895 -10.111 7.040 1.00 0.00 C ATOM 2249 O LYS A 153 9.960 -9.305 6.112 1.00 0.00 O ATOM 2250 CB LYS A 153 9.861 -8.347 8.813 1.00 0.00 C ATOM 2251 CG LYS A 153 10.634 -7.697 9.947 1.00 0.00 C ATOM 2252 CD LYS A 153 9.709 -7.251 11.068 1.00 0.00 C ATOM 2253 CE LYS A 153 9.853 -8.138 12.295 1.00 0.00 C ATOM 2254 NZ LYS A 153 10.252 -9.526 11.933 1.00 0.00 N ATOM 0 H LYS A 153 12.301 -9.035 7.968 1.00 0.00 H new ATOM 0 HA LYS A 153 9.993 -10.467 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.906 -7.701 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.812 -8.426 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 153 11.369 -8.401 10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.187 -6.838 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 153 9.932 -6.218 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.676 -7.274 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.597 -7.710 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.909 -8.162 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 9.986 -10.175 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 9.768 -9.809 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.281 -9.565 11.788 1.00 0.00 H new ATOM 2268 N PHE A 154 9.409 -11.340 6.898 1.00 0.00 N ATOM 2269 CA PHE A 154 8.914 -11.822 5.614 1.00 0.00 C ATOM 2270 C PHE A 154 7.457 -12.260 5.722 1.00 0.00 C ATOM 2271 O PHE A 154 6.898 -12.328 6.816 1.00 0.00 O ATOM 2272 CB PHE A 154 9.785 -12.980 5.112 1.00 0.00 C ATOM 2273 CG PHE A 154 9.301 -14.339 5.534 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.264 -14.960 4.855 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.881 -14.993 6.607 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.816 -16.209 5.240 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.437 -16.242 6.998 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.404 -16.852 6.312 1.00 0.00 C ATOM 0 H PHE A 154 9.348 -12.020 7.656 1.00 0.00 H new ATOM 0 HA PHE A 154 8.969 -11.003 4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.828 -12.943 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.803 -12.839 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.801 -14.462 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.690 -14.522 7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.007 -16.682 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 154 9.897 -16.741 7.839 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.057 -17.829 6.613 1.00 0.00 H new ATOM 2288 N GLY A 155 6.847 -12.557 4.579 1.00 0.00 N ATOM 2289 CA GLY A 155 5.461 -12.986 4.568 1.00 0.00 C ATOM 2290 C GLY A 155 5.034 -13.539 3.225 1.00 0.00 C ATOM 2291 O GLY A 155 5.502 -13.081 2.181 1.00 0.00 O ATOM 0 H GLY A 155 7.288 -12.508 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.314 -13.748 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.821 -12.143 4.830 1.00 0.00 H new ATOM 2295 N PHE A 156 4.141 -14.522 3.248 1.00 0.00 N ATOM 2296 CA PHE A 156 3.648 -15.131 2.019 1.00 0.00 C ATOM 2297 C PHE A 156 2.667 -14.197 1.323 1.00 0.00 C ATOM 2298 O PHE A 156 1.931 -13.461 1.976 1.00 0.00 O ATOM 2299 CB PHE A 156 2.972 -16.471 2.321 1.00 0.00 C ATOM 2300 CG PHE A 156 3.838 -17.418 3.102 1.00 0.00 C ATOM 2301 CD1 PHE A 156 5.033 -17.880 2.576 1.00 0.00 C ATOM 2302 CD2 PHE A 156 3.455 -17.845 4.364 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.831 -18.751 3.293 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.249 -18.716 5.086 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.437 -19.170 4.549 1.00 0.00 C ATOM 0 H PHE A 156 3.745 -14.913 4.102 1.00 0.00 H new ATOM 0 HA PHE A 156 4.496 -15.308 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.053 -16.288 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.686 -16.944 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.345 -17.556 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.526 -17.493 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.761 -19.104 2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.941 -19.041 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.058 -19.852 5.110 1.00 0.00 H new ATOM 2315 N CYS A 157 2.668 -14.223 -0.005 1.00 0.00 N ATOM 2316 CA CYS A 157 1.781 -13.365 -0.781 1.00 0.00 C ATOM 2317 C CYS A 157 0.447 -14.048 -1.051 1.00 0.00 C ATOM 2318 O CYS A 157 0.291 -15.248 -0.821 1.00 0.00 O ATOM 2319 CB CYS A 157 2.444 -12.977 -2.104 1.00 0.00 C ATOM 2320 SG CYS A 157 3.168 -11.307 -2.108 1.00 0.00 S ATOM 0 H CYS A 157 3.271 -14.826 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 157 1.591 -12.465 -0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 157 3.226 -13.701 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.705 -13.043 -2.902 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.537 -13.282 -1.542 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.871 -13.801 -1.847 1.00 0.00 C ATOM 2327 C PRO A 158 -1.908 -14.571 -3.162 1.00 0.00 C ATOM 2328 O PRO A 158 -0.867 -14.915 -3.722 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.718 -12.533 -1.944 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.768 -11.482 -2.410 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.420 -11.841 -1.839 1.00 0.00 C ATOM 0 HA PRO A 158 -2.219 -14.511 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.544 -12.660 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.155 -12.273 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.731 -11.447 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.083 -10.496 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.382 -11.643 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.199 -11.264 -0.941 1.00 0.00 H new