USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 773 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 41 HIS : no HD1:sc= -3.63! C(o=-3.9!,f=-5.4!) USER MOD Set 1.2: A 45 HIS :FLIP no HE2:sc= -0.26 F(o=-6.5,f=-3.9) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc=-0.00552 F(o=-1.4,f=-0.0055) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.13 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0534 K(o=-0.053,f=-1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.026) USER MOD Single : A 50 HIS : no HD1:sc=-0.00377 X(o=-0.0038,f=-0.015) USER MOD Single : A 51 SER OG : rot 46:sc= 1.31 USER MOD Single : A 52 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-8.7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 140:sc= -3.52! (180deg=-7.09!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.05) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 83 LYS NZ :NH3+ -141:sc= 0.581 (180deg=-0.336) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 69.038 -5.901 -15.271 1.00 0.00 N ATOM 2 CA PRO A 1 68.529 -4.945 -14.238 1.00 0.00 C ATOM 3 C PRO A 1 68.878 -3.514 -14.643 1.00 0.00 C ATOM 4 O PRO A 1 68.061 -2.788 -15.171 1.00 0.00 O ATOM 5 CB PRO A 1 69.194 -5.285 -12.904 1.00 0.00 C ATOM 6 CG PRO A 1 70.121 -6.468 -13.148 1.00 0.00 C ATOM 7 CD PRO A 1 70.009 -6.836 -14.627 1.00 0.00 C ATOM 0 H2 PRO A 1 69.489 -5.392 -16.031 1.00 0.00 H new ATOM 0 H3 PRO A 1 68.264 -6.423 -15.680 1.00 0.00 H new ATOM 0 HA PRO A 1 67.446 -5.027 -14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 1 69.754 -4.430 -12.525 1.00 0.00 H new ATOM 0 HB3 PRO A 1 68.444 -5.533 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 1 71.149 -6.210 -12.893 1.00 0.00 H new ATOM 0 HG3 PRO A 1 69.839 -7.313 -12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 1 70.983 -6.764 -15.111 1.00 0.00 H new ATOM 0 HD3 PRO A 1 69.673 -7.867 -14.737 1.00 0.00 H new ATOM 17 N ILE A 2 70.087 -3.109 -14.396 1.00 0.00 N ATOM 18 CA ILE A 2 70.502 -1.725 -14.762 1.00 0.00 C ATOM 19 C ILE A 2 70.120 -1.445 -16.216 1.00 0.00 C ATOM 20 O ILE A 2 69.792 -2.343 -16.965 1.00 0.00 O ATOM 21 CB ILE A 2 72.016 -1.589 -14.600 1.00 0.00 C ATOM 22 CG1 ILE A 2 72.416 -1.981 -13.176 1.00 0.00 C ATOM 23 CG2 ILE A 2 72.432 -0.142 -14.865 1.00 0.00 C ATOM 24 CD1 ILE A 2 73.919 -1.769 -12.990 1.00 0.00 C ATOM 0 H ILE A 2 70.811 -3.676 -13.955 1.00 0.00 H new ATOM 0 HA ILE A 2 69.999 -1.011 -14.110 1.00 0.00 H new ATOM 0 HB ILE A 2 72.515 -2.246 -15.312 1.00 0.00 H new ATOM 0 HG12 ILE A 2 71.862 -1.382 -12.454 1.00 0.00 H new ATOM 0 HG13 ILE A 2 72.159 -3.024 -12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 2 73.512 -0.047 -14.749 1.00 0.00 H new ATOM 0 HG22 ILE A 2 72.150 0.138 -15.880 1.00 0.00 H new ATOM 0 HG23 ILE A 2 71.931 0.516 -14.155 1.00 0.00 H new ATOM 0 HD11 ILE A 2 74.203 -2.048 -11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 2 74.465 -2.387 -13.703 1.00 0.00 H new ATOM 0 HD13 ILE A 2 74.162 -0.720 -13.159 1.00 0.00 H new ATOM 36 N THR A 3 70.160 -0.205 -16.622 1.00 0.00 N ATOM 37 CA THR A 3 69.802 0.131 -18.021 1.00 0.00 C ATOM 38 C THR A 3 70.117 1.608 -18.298 1.00 0.00 C ATOM 39 O THR A 3 70.856 2.242 -17.572 1.00 0.00 O ATOM 40 CB THR A 3 68.310 -0.177 -18.262 1.00 0.00 C ATOM 41 OG1 THR A 3 68.152 -0.709 -19.569 1.00 0.00 O ATOM 42 CG2 THR A 3 67.450 1.086 -18.126 1.00 0.00 C ATOM 0 H THR A 3 70.427 0.589 -16.040 1.00 0.00 H new ATOM 0 HA THR A 3 70.392 -0.476 -18.708 1.00 0.00 H new ATOM 0 HB THR A 3 67.982 -0.897 -17.512 1.00 0.00 H new ATOM 0 HG1 THR A 3 67.206 -0.909 -19.729 1.00 0.00 H new ATOM 0 HG21 THR A 3 66.404 0.835 -18.302 1.00 0.00 H new ATOM 0 HG22 THR A 3 67.561 1.495 -17.122 1.00 0.00 H new ATOM 0 HG23 THR A 3 67.773 1.827 -18.858 1.00 0.00 H new ATOM 50 N LYS A 4 69.563 2.151 -19.347 1.00 0.00 N ATOM 51 CA LYS A 4 69.824 3.580 -19.685 1.00 0.00 C ATOM 52 C LYS A 4 69.821 4.432 -18.413 1.00 0.00 C ATOM 53 O LYS A 4 70.844 4.635 -17.789 1.00 0.00 O ATOM 54 CB LYS A 4 68.735 4.084 -20.635 1.00 0.00 C ATOM 55 CG LYS A 4 69.295 4.167 -22.056 1.00 0.00 C ATOM 56 CD LYS A 4 68.660 3.075 -22.921 1.00 0.00 C ATOM 57 CE LYS A 4 67.641 3.705 -23.871 1.00 0.00 C ATOM 58 NZ LYS A 4 67.631 2.955 -25.158 1.00 0.00 N ATOM 0 H LYS A 4 68.937 1.664 -19.988 1.00 0.00 H new ATOM 0 HA LYS A 4 70.800 3.659 -20.165 1.00 0.00 H new ATOM 0 HB2 LYS A 4 67.877 3.413 -20.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 68.383 5.064 -20.314 1.00 0.00 H new ATOM 0 HG2 LYS A 4 69.089 5.149 -22.482 1.00 0.00 H new ATOM 0 HG3 LYS A 4 70.378 4.048 -22.039 1.00 0.00 H new ATOM 0 HD2 LYS A 4 69.430 2.554 -23.490 1.00 0.00 H new ATOM 0 HD3 LYS A 4 68.173 2.333 -22.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 66.649 3.688 -23.420 1.00 0.00 H new ATOM 0 HE3 LYS A 4 67.892 4.751 -24.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 66.938 3.384 -25.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 68.576 2.993 -25.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 67.372 1.964 -24.980 1.00 0.00 H new ATOM 72 N GLU A 5 68.682 4.945 -18.029 1.00 0.00 N ATOM 73 CA GLU A 5 68.622 5.793 -16.810 1.00 0.00 C ATOM 74 C GLU A 5 68.351 4.932 -15.586 1.00 0.00 C ATOM 75 O GLU A 5 67.929 5.405 -14.549 1.00 0.00 O ATOM 76 CB GLU A 5 67.506 6.819 -16.961 1.00 0.00 C ATOM 77 CG GLU A 5 68.106 8.225 -17.034 1.00 0.00 C ATOM 78 CD GLU A 5 68.836 8.402 -18.365 1.00 0.00 C ATOM 79 OE1 GLU A 5 69.231 7.401 -18.940 1.00 0.00 O ATOM 80 OE2 GLU A 5 68.988 9.536 -18.789 1.00 0.00 O ATOM 0 H GLU A 5 67.792 4.811 -18.509 1.00 0.00 H new ATOM 0 HA GLU A 5 69.578 6.302 -16.684 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.928 6.612 -17.862 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.818 6.750 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 5 67.319 8.973 -16.937 1.00 0.00 H new ATOM 0 HG3 GLU A 5 68.797 8.380 -16.205 1.00 0.00 H new ATOM 87 N GLU A 6 68.606 3.674 -15.703 1.00 0.00 N ATOM 88 CA GLU A 6 68.388 2.750 -14.560 1.00 0.00 C ATOM 89 C GLU A 6 69.613 2.752 -13.661 1.00 0.00 C ATOM 90 O GLU A 6 69.722 1.994 -12.717 1.00 0.00 O ATOM 91 CB GLU A 6 68.157 1.347 -15.093 1.00 0.00 C ATOM 92 CG GLU A 6 66.673 1.149 -15.397 1.00 0.00 C ATOM 93 CD GLU A 6 65.880 1.130 -14.090 1.00 0.00 C ATOM 94 OE1 GLU A 6 65.575 2.200 -13.589 1.00 0.00 O ATOM 95 OE2 GLU A 6 65.593 0.045 -13.609 1.00 0.00 O ATOM 0 H GLU A 6 68.962 3.233 -16.551 1.00 0.00 H new ATOM 0 HA GLU A 6 67.520 3.076 -13.987 1.00 0.00 H new ATOM 0 HB2 GLU A 6 68.747 1.189 -15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 6 68.490 0.610 -14.362 1.00 0.00 H new ATOM 0 HG2 GLU A 6 66.313 1.951 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 6 66.524 0.215 -15.938 1.00 0.00 H new ATOM 102 N LYS A 7 70.527 3.604 -13.961 1.00 0.00 N ATOM 103 CA LYS A 7 71.772 3.698 -13.156 1.00 0.00 C ATOM 104 C LYS A 7 72.322 5.126 -13.212 1.00 0.00 C ATOM 105 O LYS A 7 72.890 5.616 -12.258 1.00 0.00 O ATOM 106 CB LYS A 7 72.815 2.729 -13.714 1.00 0.00 C ATOM 107 CG LYS A 7 72.875 2.863 -15.238 1.00 0.00 C ATOM 108 CD LYS A 7 73.880 3.953 -15.616 1.00 0.00 C ATOM 109 CE LYS A 7 75.121 3.310 -16.236 1.00 0.00 C ATOM 110 NZ LYS A 7 74.962 3.246 -17.716 1.00 0.00 N ATOM 0 H LYS A 7 70.472 4.256 -14.743 1.00 0.00 H new ATOM 0 HA LYS A 7 71.549 3.440 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.792 2.942 -13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.560 1.706 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.167 1.913 -15.686 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.889 3.111 -15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.428 4.650 -16.321 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.158 4.528 -14.733 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.009 3.888 -15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.265 2.308 -15.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.806 2.809 -18.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.124 2.677 -17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.845 4.208 -18.094 1.00 0.00 H new ATOM 124 N GLN A 8 72.163 5.797 -14.320 1.00 0.00 N ATOM 125 CA GLN A 8 72.683 7.187 -14.428 1.00 0.00 C ATOM 126 C GLN A 8 72.091 8.042 -13.307 1.00 0.00 C ATOM 127 O GLN A 8 72.789 8.779 -12.641 1.00 0.00 O ATOM 128 CB GLN A 8 72.286 7.775 -15.784 1.00 0.00 C ATOM 129 CG GLN A 8 73.376 7.469 -16.812 1.00 0.00 C ATOM 130 CD GLN A 8 74.545 8.438 -16.620 1.00 0.00 C ATOM 131 OE1 GLN A 8 75.346 8.272 -15.722 1.00 0.00 O ATOM 132 NE2 GLN A 8 74.678 9.450 -17.433 1.00 0.00 N ATOM 0 H GLN A 8 71.696 5.442 -15.154 1.00 0.00 H new ATOM 0 HA GLN A 8 73.769 7.177 -14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.335 7.354 -16.110 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.145 8.852 -15.698 1.00 0.00 H new ATOM 0 HG2 GLN A 8 73.720 6.441 -16.698 1.00 0.00 H new ATOM 0 HG3 GLN A 8 72.975 7.561 -17.821 1.00 0.00 H new ATOM 0 HE21 GLN A 8 74.006 9.590 -18.187 1.00 0.00 H new ATOM 0 HE22 GLN A 8 75.454 10.101 -17.314 1.00 0.00 H new ATOM 141 N LYS A 9 70.807 7.953 -13.097 1.00 0.00 N ATOM 142 CA LYS A 9 70.170 8.764 -12.024 1.00 0.00 C ATOM 143 C LYS A 9 70.508 8.168 -10.656 1.00 0.00 C ATOM 144 O LYS A 9 70.493 8.851 -9.651 1.00 0.00 O ATOM 145 CB LYS A 9 68.652 8.764 -12.218 1.00 0.00 C ATOM 146 CG LYS A 9 67.978 9.350 -10.976 1.00 0.00 C ATOM 147 CD LYS A 9 66.528 9.711 -11.303 1.00 0.00 C ATOM 148 CE LYS A 9 66.012 10.728 -10.284 1.00 0.00 C ATOM 149 NZ LYS A 9 64.538 10.570 -10.127 1.00 0.00 N ATOM 0 H LYS A 9 70.171 7.353 -13.623 1.00 0.00 H new ATOM 0 HA LYS A 9 70.545 9.786 -12.075 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.387 9.349 -13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.297 7.748 -12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.009 8.629 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.517 10.236 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.463 10.124 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.907 8.816 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.508 10.582 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.247 11.740 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.187 11.261 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.072 10.730 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.325 9.608 -9.794 1.00 0.00 H new ATOM 163 N VAL A 10 70.807 6.899 -10.606 1.00 0.00 N ATOM 164 CA VAL A 10 71.139 6.261 -9.303 1.00 0.00 C ATOM 165 C VAL A 10 72.430 6.863 -8.747 1.00 0.00 C ATOM 166 O VAL A 10 72.473 7.349 -7.635 1.00 0.00 O ATOM 167 CB VAL A 10 71.322 4.756 -9.506 1.00 0.00 C ATOM 168 CG1 VAL A 10 71.941 4.141 -8.249 1.00 0.00 C ATOM 169 CG2 VAL A 10 69.960 4.110 -9.770 1.00 0.00 C ATOM 0 H VAL A 10 70.835 6.276 -11.413 1.00 0.00 H new ATOM 0 HA VAL A 10 70.328 6.438 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 10 71.981 4.582 -10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.071 3.069 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 72.910 4.601 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.283 4.314 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 10 70.088 3.037 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 10 69.303 4.285 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 69.518 4.547 -10.665 1.00 0.00 H new ATOM 179 N ILE A 11 73.482 6.828 -9.512 1.00 0.00 N ATOM 180 CA ILE A 11 74.774 7.387 -9.034 1.00 0.00 C ATOM 181 C ILE A 11 74.724 8.904 -9.109 1.00 0.00 C ATOM 182 O ILE A 11 75.111 9.606 -8.200 1.00 0.00 O ATOM 183 CB ILE A 11 75.925 6.840 -9.896 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.275 7.763 -11.081 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.553 5.455 -10.426 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.276 7.566 -12.215 1.00 0.00 C ATOM 0 H ILE A 11 73.503 6.434 -10.453 1.00 0.00 H new ATOM 0 HA ILE A 11 74.945 7.091 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 11 76.806 6.785 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.267 8.803 -10.756 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.284 7.547 -11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.369 5.068 -11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.375 4.781 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.650 5.528 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.534 8.223 -13.045 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.306 6.529 -12.550 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.273 7.805 -11.862 1.00 0.00 H new ATOM 198 N GLN A 12 74.251 9.394 -10.205 1.00 0.00 N ATOM 199 CA GLN A 12 74.146 10.872 -10.407 1.00 0.00 C ATOM 200 C GLN A 12 73.744 11.512 -9.082 1.00 0.00 C ATOM 201 O GLN A 12 74.188 12.586 -8.730 1.00 0.00 O ATOM 202 CB GLN A 12 73.084 11.174 -11.466 1.00 0.00 C ATOM 203 CG GLN A 12 73.727 11.165 -12.854 1.00 0.00 C ATOM 204 CD GLN A 12 74.218 12.573 -13.200 1.00 0.00 C ATOM 205 OE1 GLN A 12 74.515 13.402 -12.236 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 74.330 12.923 -14.358 1.00 0.00 N flip ATOM 0 H GLN A 12 73.924 8.832 -10.991 1.00 0.00 H new ATOM 0 HA GLN A 12 75.103 11.272 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.287 10.432 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 12 72.628 12.145 -11.272 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.560 10.463 -12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 12 73.006 10.827 -13.598 1.00 0.00 H new ATOM 0 HE21 GLN A 12 74.098 12.275 -15.111 1.00 0.00 H new ATOM 0 HE22 GLN A 12 74.656 13.864 -14.577 1.00 0.00 H new ATOM 215 N GLU A 13 72.927 10.827 -8.335 1.00 0.00 N ATOM 216 CA GLU A 13 72.507 11.345 -7.013 1.00 0.00 C ATOM 217 C GLU A 13 73.490 10.825 -5.963 1.00 0.00 C ATOM 218 O GLU A 13 73.865 11.521 -5.041 1.00 0.00 O ATOM 219 CB GLU A 13 71.095 10.853 -6.688 1.00 0.00 C ATOM 220 CG GLU A 13 70.421 11.834 -5.728 1.00 0.00 C ATOM 221 CD GLU A 13 69.051 11.289 -5.319 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.520 10.469 -6.049 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.556 11.703 -4.283 1.00 0.00 O ATOM 0 H GLU A 13 72.530 9.922 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 13 72.503 12.435 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.510 10.764 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.139 9.861 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 13 71.044 11.981 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.309 12.807 -6.205 1.00 0.00 H new ATOM 230 N PHE A 14 73.911 9.597 -6.110 1.00 0.00 N ATOM 231 CA PHE A 14 74.869 9.004 -5.148 1.00 0.00 C ATOM 232 C PHE A 14 76.301 9.339 -5.569 1.00 0.00 C ATOM 233 O PHE A 14 76.988 10.096 -4.914 1.00 0.00 O ATOM 234 CB PHE A 14 74.688 7.487 -5.129 1.00 0.00 C ATOM 235 CG PHE A 14 73.427 7.136 -4.378 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.129 7.780 -3.171 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.558 6.165 -4.887 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.959 7.454 -2.476 1.00 0.00 C ATOM 239 CE2 PHE A 14 71.388 5.838 -4.191 1.00 0.00 C ATOM 240 CZ PHE A 14 71.088 6.483 -2.986 1.00 0.00 C ATOM 0 H PHE A 14 73.625 8.976 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 14 74.683 9.411 -4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.634 7.104 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.549 7.014 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 14 73.801 8.528 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 14 72.790 5.667 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 14 71.728 7.951 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 14 70.717 5.088 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 70.185 6.232 -2.449 1.00 0.00 H new ATOM 250 N ALA A 15 76.758 8.775 -6.656 1.00 0.00 N ATOM 251 CA ALA A 15 78.149 9.059 -7.116 1.00 0.00 C ATOM 252 C ALA A 15 78.444 10.549 -6.971 1.00 0.00 C ATOM 253 O ALA A 15 77.632 11.390 -7.303 1.00 0.00 O ATOM 254 CB ALA A 15 78.304 8.666 -8.587 1.00 0.00 C ATOM 0 H ALA A 15 76.229 8.131 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 15 78.845 8.481 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.322 8.877 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.098 7.602 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.602 9.239 -9.193 1.00 0.00 H new ATOM 260 N ARG A 16 79.608 10.884 -6.493 1.00 0.00 N ATOM 261 CA ARG A 16 79.965 12.319 -6.344 1.00 0.00 C ATOM 262 C ARG A 16 80.672 12.785 -7.614 1.00 0.00 C ATOM 263 O ARG A 16 81.381 13.770 -7.636 1.00 0.00 O ATOM 264 CB ARG A 16 80.881 12.489 -5.128 1.00 0.00 C ATOM 265 CG ARG A 16 81.464 13.899 -5.111 1.00 0.00 C ATOM 266 CD ARG A 16 81.664 14.352 -3.664 1.00 0.00 C ATOM 267 NE ARG A 16 81.030 15.686 -3.469 1.00 0.00 N ATOM 268 CZ ARG A 16 81.743 16.772 -3.590 1.00 0.00 C ATOM 269 NH1 ARG A 16 82.064 17.213 -4.775 1.00 0.00 N ATOM 270 NH2 ARG A 16 82.137 17.415 -2.525 1.00 0.00 N ATOM 0 H ARG A 16 80.328 10.224 -6.199 1.00 0.00 H new ATOM 0 HA ARG A 16 79.068 12.919 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 16 80.321 12.307 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 16 81.685 11.754 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 16 82.415 13.917 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.795 14.586 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 16 81.225 13.625 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 16 82.728 14.406 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 16 80.038 15.750 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.758 16.709 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 16 82.621 18.062 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 16 81.888 17.069 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 16 82.694 18.264 -2.619 1.00 0.00 H new ATOM 284 N PHE A 17 80.477 12.066 -8.674 1.00 0.00 N ATOM 285 CA PHE A 17 81.123 12.427 -9.964 1.00 0.00 C ATOM 286 C PHE A 17 80.606 11.482 -11.044 1.00 0.00 C ATOM 287 O PHE A 17 79.944 10.508 -10.742 1.00 0.00 O ATOM 288 CB PHE A 17 82.638 12.265 -9.819 1.00 0.00 C ATOM 289 CG PHE A 17 83.270 13.606 -9.525 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.852 14.748 -10.218 1.00 0.00 C ATOM 291 CD2 PHE A 17 84.273 13.704 -8.554 1.00 0.00 C ATOM 292 CE1 PHE A 17 83.439 15.989 -9.940 1.00 0.00 C ATOM 293 CE2 PHE A 17 84.859 14.944 -8.275 1.00 0.00 C ATOM 294 CZ PHE A 17 84.442 16.087 -8.968 1.00 0.00 C ATOM 0 H PHE A 17 79.891 11.232 -8.706 1.00 0.00 H new ATOM 0 HA PHE A 17 80.893 13.457 -10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.863 11.563 -9.016 1.00 0.00 H new ATOM 0 HB3 PHE A 17 83.058 11.848 -10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 17 82.077 14.672 -10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 17 84.595 12.822 -8.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 83.118 16.870 -10.475 1.00 0.00 H new ATOM 0 HE2 PHE A 17 85.633 15.019 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 17 84.894 17.044 -8.753 1.00 0.00 H new ATOM 304 N PRO A 18 80.942 11.776 -12.268 1.00 0.00 N ATOM 305 CA PRO A 18 80.540 10.939 -13.406 1.00 0.00 C ATOM 306 C PRO A 18 81.309 9.615 -13.357 1.00 0.00 C ATOM 307 O PRO A 18 81.062 8.708 -14.125 1.00 0.00 O ATOM 308 CB PRO A 18 80.905 11.788 -14.628 1.00 0.00 C ATOM 309 CG PRO A 18 81.963 12.807 -14.145 1.00 0.00 C ATOM 310 CD PRO A 18 81.759 12.952 -12.629 1.00 0.00 C ATOM 0 HA PRO A 18 79.484 10.669 -13.416 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.302 11.166 -15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.027 12.297 -15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.971 12.458 -14.370 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.838 13.766 -14.648 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.710 12.957 -12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.250 13.884 -12.381 1.00 0.00 H new ATOM 318 N GLY A 19 82.225 9.499 -12.431 1.00 0.00 N ATOM 319 CA GLY A 19 83.002 8.242 -12.287 1.00 0.00 C ATOM 320 C GLY A 19 83.066 7.865 -10.802 1.00 0.00 C ATOM 321 O GLY A 19 83.712 6.909 -10.423 1.00 0.00 O ATOM 0 H GLY A 19 82.467 10.232 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.533 7.441 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.008 8.373 -12.686 1.00 0.00 H new ATOM 325 N ASP A 20 82.397 8.611 -9.953 1.00 0.00 N ATOM 326 CA ASP A 20 82.421 8.294 -8.501 1.00 0.00 C ATOM 327 C ASP A 20 81.259 7.362 -8.164 1.00 0.00 C ATOM 328 O ASP A 20 80.690 7.412 -7.091 1.00 0.00 O ATOM 329 CB ASP A 20 82.307 9.579 -7.680 1.00 0.00 C ATOM 330 CG ASP A 20 83.707 10.132 -7.404 1.00 0.00 C ATOM 331 OD1 ASP A 20 84.663 9.509 -7.834 1.00 0.00 O ATOM 332 OD2 ASP A 20 83.798 11.168 -6.766 1.00 0.00 O ATOM 0 H ASP A 20 81.837 9.424 -10.210 1.00 0.00 H new ATOM 0 HA ASP A 20 83.364 7.803 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.713 10.317 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 81.791 9.379 -6.741 1.00 0.00 H new ATOM 337 N THR A 21 80.918 6.507 -9.076 1.00 0.00 N ATOM 338 CA THR A 21 79.805 5.545 -8.838 1.00 0.00 C ATOM 339 C THR A 21 80.385 4.299 -8.179 1.00 0.00 C ATOM 340 O THR A 21 79.693 3.544 -7.525 1.00 0.00 O ATOM 341 CB THR A 21 79.154 5.164 -10.171 1.00 0.00 C ATOM 342 OG1 THR A 21 79.814 4.027 -10.711 1.00 0.00 O ATOM 343 CG2 THR A 21 79.264 6.333 -11.153 1.00 0.00 C ATOM 0 H THR A 21 81.365 6.428 -9.989 1.00 0.00 H new ATOM 0 HA THR A 21 79.050 5.997 -8.195 1.00 0.00 H new ATOM 0 HB THR A 21 78.102 4.931 -10.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.397 3.781 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.800 6.058 -12.100 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.756 7.204 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.315 6.571 -11.320 1.00 0.00 H new ATOM 351 N GLY A 22 81.662 4.096 -8.329 1.00 0.00 N ATOM 352 CA GLY A 22 82.311 2.923 -7.690 1.00 0.00 C ATOM 353 C GLY A 22 82.995 3.395 -6.405 1.00 0.00 C ATOM 354 O GLY A 22 83.614 2.623 -5.698 1.00 0.00 O ATOM 0 H GLY A 22 82.286 4.695 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 81.571 2.154 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.040 2.477 -8.367 1.00 0.00 H new ATOM 358 N SER A 23 82.887 4.664 -6.098 1.00 0.00 N ATOM 359 CA SER A 23 83.529 5.193 -4.860 1.00 0.00 C ATOM 360 C SER A 23 82.871 4.555 -3.634 1.00 0.00 C ATOM 361 O SER A 23 82.101 3.623 -3.745 1.00 0.00 O ATOM 362 CB SER A 23 83.352 6.712 -4.802 1.00 0.00 C ATOM 363 OG SER A 23 84.295 7.259 -3.888 1.00 0.00 O ATOM 0 H SER A 23 82.381 5.355 -6.653 1.00 0.00 H new ATOM 0 HA SER A 23 84.592 4.952 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.494 7.145 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.338 6.960 -4.489 1.00 0.00 H new ATOM 0 HG SER A 23 84.186 8.232 -3.849 1.00 0.00 H new ATOM 369 N THR A 24 83.169 5.051 -2.464 1.00 0.00 N ATOM 370 CA THR A 24 82.559 4.472 -1.234 1.00 0.00 C ATOM 371 C THR A 24 81.160 5.057 -1.032 1.00 0.00 C ATOM 372 O THR A 24 80.387 4.578 -0.228 1.00 0.00 O ATOM 373 CB THR A 24 83.429 4.808 -0.020 1.00 0.00 C ATOM 374 OG1 THR A 24 84.616 4.026 -0.059 1.00 0.00 O ATOM 375 CG2 THR A 24 82.654 4.503 1.262 1.00 0.00 C ATOM 0 H THR A 24 83.807 5.831 -2.307 1.00 0.00 H new ATOM 0 HA THR A 24 82.490 3.390 -1.343 1.00 0.00 H new ATOM 0 HB THR A 24 83.692 5.866 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.175 4.241 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.273 4.742 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.745 5.104 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.391 3.445 1.285 1.00 0.00 H new ATOM 383 N GLU A 25 80.830 6.092 -1.752 1.00 0.00 N ATOM 384 CA GLU A 25 79.484 6.704 -1.598 1.00 0.00 C ATOM 385 C GLU A 25 78.442 5.801 -2.257 1.00 0.00 C ATOM 386 O GLU A 25 77.550 5.286 -1.613 1.00 0.00 O ATOM 387 CB GLU A 25 79.478 8.071 -2.280 1.00 0.00 C ATOM 388 CG GLU A 25 80.182 9.089 -1.383 1.00 0.00 C ATOM 389 CD GLU A 25 80.630 10.285 -2.223 1.00 0.00 C ATOM 390 OE1 GLU A 25 80.115 10.442 -3.317 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.482 11.025 -1.757 1.00 0.00 O ATOM 0 H GLU A 25 81.435 6.540 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 25 79.247 6.820 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.981 8.011 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.453 8.388 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.509 9.419 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.043 8.629 -0.898 1.00 0.00 H new ATOM 398 N VAL A 26 78.554 5.607 -3.540 1.00 0.00 N ATOM 399 CA VAL A 26 77.581 4.741 -4.256 1.00 0.00 C ATOM 400 C VAL A 26 77.610 3.333 -3.656 1.00 0.00 C ATOM 401 O VAL A 26 76.615 2.636 -3.643 1.00 0.00 O ATOM 402 CB VAL A 26 77.957 4.680 -5.741 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.255 3.495 -6.410 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.523 5.976 -6.429 1.00 0.00 C ATOM 0 H VAL A 26 79.283 6.014 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 26 76.577 5.153 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 26 79.036 4.557 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.527 3.459 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.562 2.569 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.175 3.613 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 26 77.790 5.934 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.444 6.096 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.026 6.822 -5.961 1.00 0.00 H new ATOM 414 N GLN A 27 78.740 2.903 -3.161 1.00 0.00 N ATOM 415 CA GLN A 27 78.812 1.542 -2.571 1.00 0.00 C ATOM 416 C GLN A 27 78.017 1.519 -1.272 1.00 0.00 C ATOM 417 O GLN A 27 77.194 0.655 -1.056 1.00 0.00 O ATOM 418 CB GLN A 27 80.270 1.173 -2.291 1.00 0.00 C ATOM 419 CG GLN A 27 80.974 0.841 -3.608 1.00 0.00 C ATOM 420 CD GLN A 27 82.278 0.095 -3.314 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.304 0.707 -3.088 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.281 -1.209 -3.304 1.00 0.00 N ATOM 0 H GLN A 27 79.610 3.435 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 27 78.393 0.819 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.777 2.000 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.317 0.319 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.326 0.229 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.183 1.756 -4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.420 -1.722 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.144 -1.716 -3.107 1.00 0.00 H new ATOM 431 N VAL A 28 78.238 2.468 -0.410 1.00 0.00 N ATOM 432 CA VAL A 28 77.471 2.497 0.862 1.00 0.00 C ATOM 433 C VAL A 28 75.998 2.286 0.526 1.00 0.00 C ATOM 434 O VAL A 28 75.265 1.654 1.258 1.00 0.00 O ATOM 435 CB VAL A 28 77.672 3.858 1.541 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.627 4.064 2.642 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.071 3.912 2.157 1.00 0.00 C ATOM 0 H VAL A 28 78.914 3.222 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 28 77.812 1.716 1.541 1.00 0.00 H new ATOM 0 HB VAL A 28 77.561 4.646 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.783 5.034 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.628 4.028 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.726 3.277 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.219 4.878 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.174 3.117 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.818 3.780 1.375 1.00 0.00 H new ATOM 447 N ALA A 29 75.555 2.795 -0.592 1.00 0.00 N ATOM 448 CA ALA A 29 74.135 2.597 -0.971 1.00 0.00 C ATOM 449 C ALA A 29 73.930 1.133 -1.345 1.00 0.00 C ATOM 450 O ALA A 29 72.960 0.512 -0.957 1.00 0.00 O ATOM 451 CB ALA A 29 73.783 3.488 -2.159 1.00 0.00 C ATOM 0 H ALA A 29 76.114 3.335 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 29 73.489 2.862 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.738 3.336 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.940 4.532 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.419 3.233 -3.006 1.00 0.00 H new ATOM 457 N LEU A 30 74.844 0.566 -2.086 1.00 0.00 N ATOM 458 CA LEU A 30 74.704 -0.857 -2.468 1.00 0.00 C ATOM 459 C LEU A 30 75.043 -1.732 -1.256 1.00 0.00 C ATOM 460 O LEU A 30 74.935 -2.943 -1.301 1.00 0.00 O ATOM 461 CB LEU A 30 75.643 -1.165 -3.645 1.00 0.00 C ATOM 462 CG LEU A 30 77.024 -1.599 -3.142 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.018 -3.103 -2.867 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.076 -1.281 -4.208 1.00 0.00 C ATOM 0 H LEU A 30 75.679 1.032 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 30 73.681 -1.067 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.212 -1.953 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.742 -0.283 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 30 77.261 -1.063 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.000 -3.411 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.268 -3.331 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.781 -3.640 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.059 -1.589 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.838 -1.818 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.081 -0.209 -4.406 1.00 0.00 H new ATOM 476 N LEU A 31 75.448 -1.126 -0.170 1.00 0.00 N ATOM 477 CA LEU A 31 75.792 -1.908 1.038 1.00 0.00 C ATOM 478 C LEU A 31 74.491 -2.237 1.775 1.00 0.00 C ATOM 479 O LEU A 31 74.365 -3.250 2.434 1.00 0.00 O ATOM 480 CB LEU A 31 76.728 -1.072 1.933 1.00 0.00 C ATOM 481 CG LEU A 31 75.916 -0.300 2.971 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.602 -1.218 4.153 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.716 0.904 3.465 1.00 0.00 C ATOM 0 H LEU A 31 75.553 -0.116 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 31 76.305 -2.832 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.444 -1.725 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.303 -0.377 1.321 1.00 0.00 H new ATOM 0 HG LEU A 31 74.988 0.047 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.022 -0.670 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.027 -2.076 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.533 -1.564 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.131 1.450 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.646 0.562 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.942 1.560 2.625 1.00 0.00 H new ATOM 495 N THR A 32 73.524 -1.367 1.662 1.00 0.00 N ATOM 496 CA THR A 32 72.224 -1.583 2.340 1.00 0.00 C ATOM 497 C THR A 32 71.394 -2.585 1.526 1.00 0.00 C ATOM 498 O THR A 32 70.882 -3.554 2.051 1.00 0.00 O ATOM 499 CB THR A 32 71.514 -0.214 2.460 1.00 0.00 C ATOM 500 OG1 THR A 32 71.325 0.095 3.833 1.00 0.00 O ATOM 501 CG2 THR A 32 70.155 -0.222 1.754 1.00 0.00 C ATOM 0 H THR A 32 73.586 -0.505 1.120 1.00 0.00 H new ATOM 0 HA THR A 32 72.359 -1.998 3.339 1.00 0.00 H new ATOM 0 HB THR A 32 72.142 0.538 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.877 0.963 3.914 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.685 0.756 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.296 -0.446 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.516 -0.982 2.204 1.00 0.00 H new ATOM 509 N LEU A 33 71.258 -2.355 0.249 1.00 0.00 N ATOM 510 CA LEU A 33 70.466 -3.288 -0.597 1.00 0.00 C ATOM 511 C LEU A 33 71.112 -4.676 -0.571 1.00 0.00 C ATOM 512 O LEU A 33 70.436 -5.682 -0.493 1.00 0.00 O ATOM 513 CB LEU A 33 70.429 -2.767 -2.035 1.00 0.00 C ATOM 514 CG LEU A 33 69.380 -1.661 -2.151 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.631 -0.851 -3.423 1.00 0.00 C ATOM 516 CD2 LEU A 33 67.986 -2.288 -2.215 1.00 0.00 C ATOM 0 H LEU A 33 71.662 -1.559 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 33 69.449 -3.355 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.409 -2.384 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.193 -3.580 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 33 69.446 -1.005 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.883 -0.062 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.625 -0.405 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.564 -1.507 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 33 67.236 -1.501 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 33 67.921 -2.943 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 67.806 -2.867 -1.309 1.00 0.00 H new ATOM 528 N ARG A 34 72.413 -4.737 -0.639 1.00 0.00 N ATOM 529 CA ARG A 34 73.097 -6.058 -0.622 1.00 0.00 C ATOM 530 C ARG A 34 72.883 -6.729 0.737 1.00 0.00 C ATOM 531 O ARG A 34 73.092 -7.915 0.894 1.00 0.00 O ATOM 532 CB ARG A 34 74.596 -5.859 -0.861 1.00 0.00 C ATOM 533 CG ARG A 34 74.860 -5.729 -2.362 1.00 0.00 C ATOM 534 CD ARG A 34 74.638 -7.082 -3.040 1.00 0.00 C ATOM 535 NE ARG A 34 75.454 -7.155 -4.285 1.00 0.00 N ATOM 536 CZ ARG A 34 76.745 -6.974 -4.230 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.531 -7.974 -3.935 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.250 -5.796 -4.471 1.00 0.00 N ATOM 0 H ARG A 34 73.031 -3.928 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 34 72.683 -6.690 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.943 -4.966 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.155 -6.702 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.196 -4.980 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.881 -5.388 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.916 -7.890 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.582 -7.213 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 34 75.003 -7.346 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.136 -8.895 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 78.540 -7.834 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.636 -5.015 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.259 -5.655 -4.428 1.00 0.00 H new ATOM 552 N ILE A 35 72.469 -5.978 1.722 1.00 0.00 N ATOM 553 CA ILE A 35 72.244 -6.557 3.064 1.00 0.00 C ATOM 554 C ILE A 35 70.834 -7.154 3.120 1.00 0.00 C ATOM 555 O ILE A 35 70.642 -8.304 3.463 1.00 0.00 O ATOM 556 CB ILE A 35 72.410 -5.430 4.100 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.685 -5.669 4.905 1.00 0.00 C ATOM 558 CG2 ILE A 35 71.213 -5.364 5.051 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.656 -4.518 4.652 1.00 0.00 C ATOM 0 H ILE A 35 72.277 -4.979 1.647 1.00 0.00 H new ATOM 0 HA ILE A 35 72.959 -7.351 3.278 1.00 0.00 H new ATOM 0 HB ILE A 35 72.472 -4.482 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 73.452 -5.738 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 35 74.141 -6.616 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 35 71.363 -4.558 5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.304 -5.176 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 35 71.118 -6.311 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.570 -4.681 5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.896 -4.471 3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 35 74.196 -3.579 4.962 1.00 0.00 H new ATOM 571 N ASN A 36 69.851 -6.362 2.803 1.00 0.00 N ATOM 572 CA ASN A 36 68.444 -6.850 2.847 1.00 0.00 C ATOM 573 C ASN A 36 68.262 -8.036 1.894 1.00 0.00 C ATOM 574 O ASN A 36 67.604 -9.004 2.220 1.00 0.00 O ATOM 575 CB ASN A 36 67.501 -5.718 2.431 1.00 0.00 C ATOM 576 CG ASN A 36 67.337 -4.739 3.595 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.221 -5.145 4.735 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.320 -3.456 3.356 1.00 0.00 N ATOM 0 H ASN A 36 69.961 -5.390 2.513 1.00 0.00 H new ATOM 0 HA ASN A 36 68.213 -7.172 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.900 -5.200 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.531 -6.125 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.210 -2.795 4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.417 -3.114 2.400 1.00 0.00 H new ATOM 585 N ARG A 37 68.828 -7.973 0.718 1.00 0.00 N ATOM 586 CA ARG A 37 68.665 -9.101 -0.242 1.00 0.00 C ATOM 587 C ARG A 37 69.687 -10.193 0.047 1.00 0.00 C ATOM 588 O ARG A 37 69.855 -11.127 -0.711 1.00 0.00 O ATOM 589 CB ARG A 37 68.844 -8.592 -1.671 1.00 0.00 C ATOM 590 CG ARG A 37 67.545 -8.793 -2.454 1.00 0.00 C ATOM 591 CD ARG A 37 67.836 -9.576 -3.736 1.00 0.00 C ATOM 592 NE ARG A 37 68.825 -8.827 -4.561 1.00 0.00 N ATOM 593 CZ ARG A 37 68.431 -8.172 -5.619 1.00 0.00 C ATOM 594 NH1 ARG A 37 67.984 -6.952 -5.501 1.00 0.00 N ATOM 595 NH2 ARG A 37 68.485 -8.737 -6.794 1.00 0.00 N ATOM 0 H ARG A 37 69.393 -7.193 0.383 1.00 0.00 H new ATOM 0 HA ARG A 37 67.664 -9.517 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.114 -7.536 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.660 -9.125 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.820 -9.331 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.102 -7.827 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.225 -10.564 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.915 -9.726 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 37 69.811 -8.826 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.943 -6.511 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.676 -6.440 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 68.835 -9.691 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 37 68.177 -8.225 -7.621 1.00 0.00 H new ATOM 609 N LEU A 38 70.352 -10.082 1.145 1.00 0.00 N ATOM 610 CA LEU A 38 71.359 -11.102 1.529 1.00 0.00 C ATOM 611 C LEU A 38 70.684 -12.174 2.384 1.00 0.00 C ATOM 612 O LEU A 38 70.989 -13.346 2.291 1.00 0.00 O ATOM 613 CB LEU A 38 72.483 -10.443 2.329 1.00 0.00 C ATOM 614 CG LEU A 38 73.836 -10.896 1.778 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.907 -10.590 0.281 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.957 -10.152 2.505 1.00 0.00 C ATOM 0 H LEU A 38 70.243 -9.316 1.810 1.00 0.00 H new ATOM 0 HA LEU A 38 71.779 -11.556 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.399 -9.358 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.399 -10.711 3.382 1.00 0.00 H new ATOM 0 HG LEU A 38 73.951 -11.969 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.871 -10.913 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.108 -11.121 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.792 -9.518 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.922 -10.474 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 38 74.842 -9.079 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.907 -10.371 3.572 1.00 0.00 H new ATOM 628 N SER A 39 69.767 -11.771 3.220 1.00 0.00 N ATOM 629 CA SER A 39 69.063 -12.750 4.093 1.00 0.00 C ATOM 630 C SER A 39 68.193 -13.672 3.233 1.00 0.00 C ATOM 631 O SER A 39 68.142 -14.867 3.445 1.00 0.00 O ATOM 632 CB SER A 39 68.182 -11.994 5.087 1.00 0.00 C ATOM 633 OG SER A 39 67.346 -12.917 5.774 1.00 0.00 O ATOM 0 H SER A 39 69.474 -10.801 3.336 1.00 0.00 H new ATOM 0 HA SER A 39 69.794 -13.350 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 39 68.802 -11.449 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.574 -11.256 4.563 1.00 0.00 H new ATOM 0 HG SER A 39 66.781 -12.434 6.413 1.00 0.00 H new ATOM 639 N GLU A 40 67.505 -13.126 2.267 1.00 0.00 N ATOM 640 CA GLU A 40 66.639 -13.968 1.402 1.00 0.00 C ATOM 641 C GLU A 40 67.427 -14.435 0.187 1.00 0.00 C ATOM 642 O GLU A 40 66.876 -14.806 -0.831 1.00 0.00 O ATOM 643 CB GLU A 40 65.438 -13.154 0.941 1.00 0.00 C ATOM 644 CG GLU A 40 64.156 -13.744 1.532 1.00 0.00 C ATOM 645 CD GLU A 40 62.953 -12.919 1.070 1.00 0.00 C ATOM 646 OE1 GLU A 40 62.717 -12.874 -0.127 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.290 -12.347 1.919 1.00 0.00 O ATOM 0 H GLU A 40 67.507 -12.131 2.041 1.00 0.00 H new ATOM 0 HA GLU A 40 66.299 -14.835 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.549 -12.116 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.382 -13.155 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.042 -14.781 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.212 -13.746 2.621 1.00 0.00 H new ATOM 654 N HIS A 41 68.711 -14.411 0.296 1.00 0.00 N ATOM 655 CA HIS A 41 69.575 -14.845 -0.833 1.00 0.00 C ATOM 656 C HIS A 41 69.734 -16.365 -0.803 1.00 0.00 C ATOM 657 O HIS A 41 69.471 -17.048 -1.772 1.00 0.00 O ATOM 658 CB HIS A 41 70.950 -14.185 -0.708 1.00 0.00 C ATOM 659 CG HIS A 41 71.177 -13.275 -1.883 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.132 -12.677 -2.569 1.00 0.00 N ATOM 661 CD2 HIS A 41 72.327 -12.850 -2.505 1.00 0.00 C ATOM 662 CE1 HIS A 41 70.667 -11.932 -3.553 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.001 -12.002 -3.560 1.00 0.00 N ATOM 0 H HIS A 41 69.214 -14.106 1.129 1.00 0.00 H new ATOM 0 HA HIS A 41 69.114 -14.548 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 41 71.010 -13.619 0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.729 -14.947 -0.668 1.00 0.00 H new ATOM 0 HD2 HIS A 41 73.330 -13.131 -2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 41 70.088 -11.348 -4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.643 -11.535 -4.200 1.00 0.00 H new ATOM 671 N LEU A 42 70.169 -16.895 0.304 1.00 0.00 N ATOM 672 CA LEU A 42 70.357 -18.363 0.415 1.00 0.00 C ATOM 673 C LEU A 42 68.995 -19.065 0.439 1.00 0.00 C ATOM 674 O LEU A 42 68.913 -20.277 0.464 1.00 0.00 O ATOM 675 CB LEU A 42 71.105 -18.667 1.710 1.00 0.00 C ATOM 676 CG LEU A 42 72.360 -17.797 1.791 1.00 0.00 C ATOM 677 CD1 LEU A 42 72.151 -16.693 2.829 1.00 0.00 C ATOM 678 CD2 LEU A 42 73.552 -18.664 2.202 1.00 0.00 C ATOM 0 H LEU A 42 70.404 -16.367 1.144 1.00 0.00 H new ATOM 0 HA LEU A 42 70.927 -18.723 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 70.461 -18.475 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 71.378 -19.722 1.746 1.00 0.00 H new ATOM 0 HG LEU A 42 72.554 -17.347 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.046 -16.073 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.301 -16.076 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.957 -17.142 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 74.448 -18.046 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.357 -19.113 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.701 -19.451 1.463 1.00 0.00 H new ATOM 690 N LYS A 43 67.923 -18.315 0.432 1.00 0.00 N ATOM 691 CA LYS A 43 66.571 -18.943 0.455 1.00 0.00 C ATOM 692 C LYS A 43 66.141 -19.311 -0.962 1.00 0.00 C ATOM 693 O LYS A 43 64.981 -19.546 -1.240 1.00 0.00 O ATOM 694 CB LYS A 43 65.566 -17.963 1.050 1.00 0.00 C ATOM 695 CG LYS A 43 65.295 -18.327 2.512 1.00 0.00 C ATOM 696 CD LYS A 43 64.052 -19.216 2.596 1.00 0.00 C ATOM 697 CE LYS A 43 64.010 -19.906 3.960 1.00 0.00 C ATOM 698 NZ LYS A 43 63.587 -18.926 5.000 1.00 0.00 N ATOM 0 H LYS A 43 67.927 -17.295 0.411 1.00 0.00 H new ATOM 0 HA LYS A 43 66.609 -19.847 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.952 -16.946 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 43 64.637 -17.989 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 66.155 -18.846 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.148 -17.422 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.153 -18.617 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 43 64.070 -19.961 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.316 -20.746 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 43 64.992 -20.311 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 63.558 -19.395 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 64.265 -18.138 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 62.642 -18.560 4.768 1.00 0.00 H new ATOM 712 N VAL A 44 67.077 -19.365 -1.846 1.00 0.00 N ATOM 713 CA VAL A 44 66.789 -19.716 -3.257 1.00 0.00 C ATOM 714 C VAL A 44 68.099 -20.147 -3.919 1.00 0.00 C ATOM 715 O VAL A 44 68.142 -21.080 -4.697 1.00 0.00 O ATOM 716 CB VAL A 44 66.223 -18.492 -3.974 1.00 0.00 C ATOM 717 CG1 VAL A 44 66.283 -18.705 -5.488 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.769 -18.281 -3.547 1.00 0.00 C ATOM 0 H VAL A 44 68.060 -19.176 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 44 66.061 -20.526 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 44 66.814 -17.615 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.878 -17.829 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 44 67.319 -18.855 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 44 65.695 -19.583 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.363 -17.408 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.181 -19.161 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.725 -18.124 -2.469 1.00 0.00 H new ATOM 728 N HIS A 45 69.170 -19.474 -3.599 1.00 0.00 N ATOM 729 CA HIS A 45 70.490 -19.827 -4.181 1.00 0.00 C ATOM 730 C HIS A 45 70.666 -21.348 -4.177 1.00 0.00 C ATOM 731 O HIS A 45 70.839 -21.965 -5.208 1.00 0.00 O ATOM 732 CB HIS A 45 71.586 -19.179 -3.333 1.00 0.00 C ATOM 733 CG HIS A 45 71.912 -17.820 -3.888 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.759 -17.279 -5.140 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 72.478 -16.821 -3.110 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 72.222 -15.967 -5.143 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 72.643 -15.742 -3.896 1.00 0.00 N flip ATOM 0 H HIS A 45 69.184 -18.686 -2.951 1.00 0.00 H new ATOM 0 HA HIS A 45 70.552 -19.467 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 45 71.256 -19.091 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 45 72.478 -19.806 -3.331 1.00 0.00 H new ATOM 0 HD1 HIS A 45 71.366 -17.765 -5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 45 72.739 -16.896 -2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.238 -15.279 -5.975 1.00 0.00 H new ATOM 745 N LYS A 46 70.623 -21.957 -3.023 1.00 0.00 N ATOM 746 CA LYS A 46 70.789 -23.436 -2.955 1.00 0.00 C ATOM 747 C LYS A 46 72.162 -23.821 -3.510 1.00 0.00 C ATOM 748 O LYS A 46 72.295 -24.765 -4.264 1.00 0.00 O ATOM 749 CB LYS A 46 69.695 -24.110 -3.788 1.00 0.00 C ATOM 750 CG LYS A 46 68.370 -24.057 -3.027 1.00 0.00 C ATOM 751 CD LYS A 46 68.376 -25.110 -1.917 1.00 0.00 C ATOM 752 CE LYS A 46 67.103 -24.977 -1.079 1.00 0.00 C ATOM 753 NZ LYS A 46 67.447 -24.424 0.262 1.00 0.00 N ATOM 0 H LYS A 46 70.480 -21.494 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 46 70.711 -23.764 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.594 -23.608 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 46 69.967 -25.145 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.223 -23.065 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 67.539 -24.237 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 46 68.437 -26.109 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 69.255 -24.982 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.390 -24.323 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 66.623 -25.949 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 66.582 -24.333 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.112 -25.064 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.887 -23.488 0.149 1.00 0.00 H new ATOM 767 N LYS A 47 73.185 -23.099 -3.145 1.00 0.00 N ATOM 768 CA LYS A 47 74.547 -23.425 -3.652 1.00 0.00 C ATOM 769 C LYS A 47 75.530 -22.338 -3.210 1.00 0.00 C ATOM 770 O LYS A 47 76.258 -21.785 -4.010 1.00 0.00 O ATOM 771 CB LYS A 47 74.519 -23.495 -5.180 1.00 0.00 C ATOM 772 CG LYS A 47 73.834 -22.246 -5.737 1.00 0.00 C ATOM 773 CD LYS A 47 74.599 -21.745 -6.963 1.00 0.00 C ATOM 774 CE LYS A 47 73.608 -21.359 -8.061 1.00 0.00 C ATOM 775 NZ LYS A 47 74.314 -20.575 -9.114 1.00 0.00 N ATOM 0 H LYS A 47 73.136 -22.297 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 47 74.864 -24.387 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.534 -23.570 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.987 -24.389 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.803 -22.474 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 47 73.799 -21.468 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.214 -20.886 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.275 -22.520 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 47 73.163 -22.254 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 47 72.793 -20.771 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.640 -20.312 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 74.718 -19.714 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.077 -21.151 -9.523 1.00 0.00 H new ATOM 789 N ASP A 48 75.556 -22.030 -1.943 1.00 0.00 N ATOM 790 CA ASP A 48 76.492 -20.981 -1.451 1.00 0.00 C ATOM 791 C ASP A 48 76.211 -20.702 0.027 1.00 0.00 C ATOM 792 O ASP A 48 76.083 -19.567 0.441 1.00 0.00 O ATOM 793 CB ASP A 48 76.293 -19.698 -2.261 1.00 0.00 C ATOM 794 CG ASP A 48 77.656 -19.109 -2.628 1.00 0.00 C ATOM 795 OD1 ASP A 48 78.609 -19.867 -2.690 1.00 0.00 O ATOM 796 OD2 ASP A 48 77.723 -17.910 -2.841 1.00 0.00 O ATOM 0 H ASP A 48 74.970 -22.459 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 48 77.519 -21.326 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 48 75.722 -19.911 -3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 48 75.717 -18.976 -1.682 1.00 0.00 H new ATOM 801 N HIS A 49 76.112 -21.729 0.825 1.00 0.00 N ATOM 802 CA HIS A 49 75.839 -21.527 2.274 1.00 0.00 C ATOM 803 C HIS A 49 76.998 -20.757 2.912 1.00 0.00 C ATOM 804 O HIS A 49 76.851 -20.147 3.952 1.00 0.00 O ATOM 805 CB HIS A 49 75.691 -22.888 2.959 1.00 0.00 C ATOM 806 CG HIS A 49 75.284 -22.688 4.392 1.00 0.00 C ATOM 807 ND1 HIS A 49 76.058 -23.138 5.450 1.00 0.00 N ATOM 808 CD2 HIS A 49 74.186 -22.089 4.960 1.00 0.00 C ATOM 809 CE1 HIS A 49 75.421 -22.808 6.589 1.00 0.00 C ATOM 810 NE2 HIS A 49 74.275 -22.165 6.347 1.00 0.00 N ATOM 0 H HIS A 49 76.209 -22.702 0.534 1.00 0.00 H new ATOM 0 HA HIS A 49 74.917 -20.957 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 49 74.945 -23.489 2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.632 -23.435 2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 49 73.376 -21.629 4.413 1.00 0.00 H new ATOM 0 HE1 HIS A 49 75.791 -23.035 7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 49 73.609 -21.807 7.031 1.00 0.00 H new ATOM 818 N HIS A 50 78.148 -20.781 2.296 1.00 0.00 N ATOM 819 CA HIS A 50 79.316 -20.051 2.867 1.00 0.00 C ATOM 820 C HIS A 50 79.456 -18.702 2.176 1.00 0.00 C ATOM 821 O HIS A 50 80.513 -18.105 2.142 1.00 0.00 O ATOM 822 CB HIS A 50 80.582 -20.865 2.639 1.00 0.00 C ATOM 823 CG HIS A 50 81.148 -21.305 3.961 1.00 0.00 C ATOM 824 ND1 HIS A 50 81.227 -22.640 4.324 1.00 0.00 N ATOM 825 CD2 HIS A 50 81.669 -20.597 5.017 1.00 0.00 C ATOM 826 CE1 HIS A 50 81.777 -22.694 5.551 1.00 0.00 C ATOM 827 NE2 HIS A 50 82.065 -21.477 6.020 1.00 0.00 N ATOM 0 H HIS A 50 78.330 -21.274 1.422 1.00 0.00 H new ATOM 0 HA HIS A 50 79.164 -19.901 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 50 80.360 -21.734 2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 50 81.317 -20.268 2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 50 81.758 -19.522 5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 50 81.963 -23.611 6.091 1.00 0.00 H new ATOM 0 HE2 HIS A 50 82.485 -21.243 6.920 1.00 0.00 H new ATOM 835 N SER A 51 78.388 -18.233 1.629 1.00 0.00 N ATOM 836 CA SER A 51 78.411 -16.922 0.923 1.00 0.00 C ATOM 837 C SER A 51 78.979 -15.848 1.855 1.00 0.00 C ATOM 838 O SER A 51 80.124 -15.459 1.745 1.00 0.00 O ATOM 839 CB SER A 51 76.989 -16.539 0.512 1.00 0.00 C ATOM 840 OG SER A 51 76.959 -16.277 -0.885 1.00 0.00 O ATOM 0 H SER A 51 77.482 -18.702 1.636 1.00 0.00 H new ATOM 0 HA SER A 51 79.038 -17.000 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 51 76.297 -17.345 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.662 -15.659 1.066 1.00 0.00 H new ATOM 0 HG SER A 51 77.444 -16.983 -1.361 1.00 0.00 H new ATOM 846 N HIS A 52 78.185 -15.366 2.771 1.00 0.00 N ATOM 847 CA HIS A 52 78.678 -14.317 3.708 1.00 0.00 C ATOM 848 C HIS A 52 79.302 -13.172 2.908 1.00 0.00 C ATOM 849 O HIS A 52 80.107 -12.415 3.413 1.00 0.00 O ATOM 850 CB HIS A 52 79.729 -14.919 4.642 1.00 0.00 C ATOM 851 CG HIS A 52 79.074 -15.337 5.930 1.00 0.00 C ATOM 852 ND1 HIS A 52 78.563 -16.612 6.119 1.00 0.00 N ATOM 853 CD2 HIS A 52 78.838 -14.661 7.100 1.00 0.00 C ATOM 854 CE1 HIS A 52 78.050 -16.663 7.361 1.00 0.00 C ATOM 855 NE2 HIS A 52 78.190 -15.500 8.003 1.00 0.00 N ATOM 0 H HIS A 52 77.216 -15.653 2.911 1.00 0.00 H new ATOM 0 HA HIS A 52 77.844 -13.936 4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 52 80.204 -15.778 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 52 80.515 -14.190 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 52 79.113 -13.634 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 52 77.582 -17.538 7.788 1.00 0.00 H new ATOM 0 HE2 HIS A 52 77.887 -15.275 8.951 1.00 0.00 H new ATOM 863 N ARG A 53 78.936 -13.037 1.663 1.00 0.00 N ATOM 864 CA ARG A 53 79.506 -11.941 0.832 1.00 0.00 C ATOM 865 C ARG A 53 79.394 -10.616 1.590 1.00 0.00 C ATOM 866 O ARG A 53 80.181 -9.712 1.397 1.00 0.00 O ATOM 867 CB ARG A 53 78.732 -11.842 -0.484 1.00 0.00 C ATOM 868 CG ARG A 53 77.243 -11.661 -0.188 1.00 0.00 C ATOM 869 CD ARG A 53 76.430 -11.973 -1.447 1.00 0.00 C ATOM 870 NE ARG A 53 76.933 -13.234 -2.062 1.00 0.00 N ATOM 871 CZ ARG A 53 77.213 -13.272 -3.336 1.00 0.00 C ATOM 872 NH1 ARG A 53 76.249 -13.264 -4.216 1.00 0.00 N ATOM 873 NH2 ARG A 53 78.456 -13.320 -3.729 1.00 0.00 N ATOM 0 H ARG A 53 78.266 -13.640 1.185 1.00 0.00 H new ATOM 0 HA ARG A 53 80.554 -12.153 0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 53 79.101 -11.002 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 53 78.889 -12.742 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 53 76.940 -12.320 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 53 77.048 -10.640 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 53 75.374 -12.074 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 53 76.511 -11.151 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 53 77.058 -14.067 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 53 75.277 -13.228 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 53 76.467 -13.294 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 79.209 -13.328 -3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 53 78.675 -13.350 -4.725 1.00 0.00 H new ATOM 887 N GLY A 54 78.421 -10.496 2.453 1.00 0.00 N ATOM 888 CA GLY A 54 78.260 -9.229 3.222 1.00 0.00 C ATOM 889 C GLY A 54 77.172 -9.408 4.283 1.00 0.00 C ATOM 890 O GLY A 54 76.278 -8.595 4.411 1.00 0.00 O ATOM 0 H GLY A 54 77.732 -11.219 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.203 -8.957 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 77.995 -8.414 2.548 1.00 0.00 H new ATOM 894 N LEU A 55 77.241 -10.465 5.045 1.00 0.00 N ATOM 895 CA LEU A 55 76.213 -10.696 6.097 1.00 0.00 C ATOM 896 C LEU A 55 76.164 -9.489 7.036 1.00 0.00 C ATOM 897 O LEU A 55 76.636 -8.419 6.712 1.00 0.00 O ATOM 898 CB LEU A 55 76.573 -11.949 6.897 1.00 0.00 C ATOM 899 CG LEU A 55 75.411 -12.940 6.845 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.029 -13.204 5.387 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.833 -14.254 7.506 1.00 0.00 C ATOM 0 H LEU A 55 77.966 -11.179 4.984 1.00 0.00 H new ATOM 0 HA LEU A 55 75.239 -10.832 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.474 -12.407 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 55 76.791 -11.683 7.931 1.00 0.00 H new ATOM 0 HG LEU A 55 74.555 -12.523 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.200 -13.911 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.729 -12.269 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 55 75.885 -13.621 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 55 75.005 -14.962 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 55 76.689 -14.670 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.106 -14.068 8.545 1.00 0.00 H new ATOM 913 N LEU A 56 75.598 -9.658 8.199 1.00 0.00 N ATOM 914 CA LEU A 56 75.519 -8.528 9.163 1.00 0.00 C ATOM 915 C LEU A 56 76.854 -7.787 9.195 1.00 0.00 C ATOM 916 O LEU A 56 76.918 -6.607 9.474 1.00 0.00 O ATOM 917 CB LEU A 56 75.208 -9.076 10.554 1.00 0.00 C ATOM 918 CG LEU A 56 73.694 -9.116 10.762 1.00 0.00 C ATOM 919 CD1 LEU A 56 73.327 -10.333 11.614 1.00 0.00 C ATOM 920 CD2 LEU A 56 73.244 -7.840 11.478 1.00 0.00 C ATOM 0 H LEU A 56 75.186 -10.533 8.523 1.00 0.00 H new ATOM 0 HA LEU A 56 74.732 -7.839 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 56 75.627 -10.076 10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.674 -8.450 11.315 1.00 0.00 H new ATOM 0 HG LEU A 56 73.197 -9.186 9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 72.247 -10.361 11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 56 73.648 -11.243 11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 73.824 -10.263 12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 56 72.165 -7.868 11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 73.742 -7.771 12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.505 -6.972 10.873 1.00 0.00 H new ATOM 932 N MET A 57 77.920 -8.476 8.910 1.00 0.00 N ATOM 933 CA MET A 57 79.259 -7.823 8.920 1.00 0.00 C ATOM 934 C MET A 57 79.176 -6.475 8.200 1.00 0.00 C ATOM 935 O MET A 57 79.538 -5.448 8.739 1.00 0.00 O ATOM 936 CB MET A 57 80.269 -8.723 8.204 1.00 0.00 C ATOM 937 CG MET A 57 81.689 -8.252 8.523 1.00 0.00 C ATOM 938 SD MET A 57 82.168 -6.949 7.362 1.00 0.00 S ATOM 939 CE MET A 57 83.298 -6.066 8.466 1.00 0.00 C ATOM 0 H MET A 57 77.924 -9.467 8.669 1.00 0.00 H new ATOM 0 HA MET A 57 79.579 -7.664 9.950 1.00 0.00 H new ATOM 0 HB2 MET A 57 80.138 -9.758 8.520 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.098 -8.695 7.128 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.738 -7.879 9.546 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.385 -9.088 8.455 1.00 0.00 H new ATOM 0 HE1 MET A 57 83.718 -5.206 7.944 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.754 -5.726 9.347 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.103 -6.734 8.772 1.00 0.00 H new ATOM 949 N MET A 58 78.703 -6.470 6.984 1.00 0.00 N ATOM 950 CA MET A 58 78.597 -5.189 6.229 1.00 0.00 C ATOM 951 C MET A 58 77.819 -4.169 7.064 1.00 0.00 C ATOM 952 O MET A 58 78.145 -2.999 7.095 1.00 0.00 O ATOM 953 CB MET A 58 77.863 -5.433 4.909 1.00 0.00 C ATOM 954 CG MET A 58 78.878 -5.517 3.768 1.00 0.00 C ATOM 955 SD MET A 58 78.105 -4.956 2.230 1.00 0.00 S ATOM 956 CE MET A 58 76.676 -6.066 2.273 1.00 0.00 C ATOM 0 H MET A 58 78.385 -7.298 6.480 1.00 0.00 H new ATOM 0 HA MET A 58 79.596 -4.805 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.287 -6.357 4.966 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.154 -4.627 4.721 1.00 0.00 H new ATOM 0 HG2 MET A 58 79.749 -4.902 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.232 -6.542 3.657 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.787 -5.528 1.942 1.00 0.00 H new ATOM 0 HE2 MET A 58 76.854 -6.914 1.612 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.525 -6.425 3.291 1.00 0.00 H new ATOM 966 N VAL A 59 76.791 -4.604 7.739 1.00 0.00 N ATOM 967 CA VAL A 59 75.991 -3.664 8.570 1.00 0.00 C ATOM 968 C VAL A 59 76.868 -3.091 9.686 1.00 0.00 C ATOM 969 O VAL A 59 76.719 -1.953 10.083 1.00 0.00 O ATOM 970 CB VAL A 59 74.806 -4.410 9.185 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.120 -3.516 10.219 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.807 -4.774 8.083 1.00 0.00 C ATOM 0 H VAL A 59 76.471 -5.572 7.750 1.00 0.00 H new ATOM 0 HA VAL A 59 75.624 -2.850 7.944 1.00 0.00 H new ATOM 0 HB VAL A 59 75.161 -5.319 9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 59 73.276 -4.048 10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 59 74.831 -3.255 11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.764 -2.607 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.962 -5.306 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.452 -3.864 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.295 -5.411 7.346 1.00 0.00 H new ATOM 982 N GLY A 60 77.781 -3.872 10.196 1.00 0.00 N ATOM 983 CA GLY A 60 78.666 -3.374 11.288 1.00 0.00 C ATOM 984 C GLY A 60 79.494 -2.192 10.780 1.00 0.00 C ATOM 985 O GLY A 60 80.018 -1.412 11.550 1.00 0.00 O ATOM 0 H GLY A 60 77.953 -4.834 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 60 78.066 -3.069 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 60 79.325 -4.173 11.628 1.00 0.00 H new ATOM 989 N GLN A 61 79.619 -2.054 9.488 1.00 0.00 N ATOM 990 CA GLN A 61 80.412 -0.927 8.933 1.00 0.00 C ATOM 991 C GLN A 61 79.503 0.268 8.684 1.00 0.00 C ATOM 992 O GLN A 61 79.804 1.153 7.909 1.00 0.00 O ATOM 993 CB GLN A 61 81.052 -1.357 7.620 1.00 0.00 C ATOM 994 CG GLN A 61 82.568 -1.471 7.797 1.00 0.00 C ATOM 995 CD GLN A 61 83.220 -1.766 6.445 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.568 -1.722 5.420 1.00 0.00 O ATOM 997 NE2 GLN A 61 84.489 -2.066 6.398 1.00 0.00 N ATOM 0 H GLN A 61 79.204 -2.676 8.794 1.00 0.00 H new ATOM 0 HA GLN A 61 81.188 -0.648 9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 61 80.641 -2.314 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.821 -0.634 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.967 -0.545 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 61 82.803 -2.264 8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 61 85.036 -2.103 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 61 84.934 -2.263 5.501 1.00 0.00 H new ATOM 1006 N ARG A 62 78.394 0.288 9.346 1.00 0.00 N ATOM 1007 CA ARG A 62 77.433 1.415 9.177 1.00 0.00 C ATOM 1008 C ARG A 62 77.098 2.014 10.546 1.00 0.00 C ATOM 1009 O ARG A 62 76.450 3.037 10.643 1.00 0.00 O ATOM 1010 CB ARG A 62 76.149 0.896 8.523 1.00 0.00 C ATOM 1011 CG ARG A 62 75.900 1.647 7.212 1.00 0.00 C ATOM 1012 CD ARG A 62 74.559 1.212 6.612 1.00 0.00 C ATOM 1013 NE ARG A 62 74.266 -0.195 7.006 1.00 0.00 N ATOM 1014 CZ ARG A 62 73.045 -0.549 7.303 1.00 0.00 C ATOM 1015 NH1 ARG A 62 72.569 -0.311 8.495 1.00 0.00 N ATOM 1016 NH2 ARG A 62 72.301 -1.139 6.409 1.00 0.00 N ATOM 0 H ARG A 62 78.101 -0.432 10.006 1.00 0.00 H new ATOM 0 HA ARG A 62 77.882 2.181 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 62 76.234 -0.174 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.304 1.033 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 62 75.896 2.722 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 62 76.707 1.445 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.763 1.871 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.591 1.297 5.526 1.00 0.00 H new ATOM 0 HE ARG A 62 75.019 -0.881 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 62 73.151 0.151 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 62 71.615 -0.587 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.673 -1.324 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 62 71.347 -1.415 6.641 1.00 0.00 H new ATOM 1030 N ARG A 63 77.534 1.386 11.606 1.00 0.00 N ATOM 1031 CA ARG A 63 77.237 1.921 12.963 1.00 0.00 C ATOM 1032 C ARG A 63 77.738 3.363 13.067 1.00 0.00 C ATOM 1033 O ARG A 63 77.163 4.181 13.758 1.00 0.00 O ATOM 1034 CB ARG A 63 77.939 1.060 14.017 1.00 0.00 C ATOM 1035 CG ARG A 63 77.038 0.922 15.245 1.00 0.00 C ATOM 1036 CD ARG A 63 77.142 -0.501 15.798 1.00 0.00 C ATOM 1037 NE ARG A 63 76.353 -0.602 17.059 1.00 0.00 N ATOM 1038 CZ ARG A 63 76.688 -1.474 17.970 1.00 0.00 C ATOM 1039 NH1 ARG A 63 77.943 -1.637 18.286 1.00 0.00 N ATOM 1040 NH2 ARG A 63 75.767 -2.182 18.566 1.00 0.00 N ATOM 0 H ARG A 63 78.083 0.526 11.589 1.00 0.00 H new ATOM 0 HA ARG A 63 76.161 1.898 13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 63 78.165 0.076 13.606 1.00 0.00 H new ATOM 0 HB3 ARG A 63 78.889 1.514 14.299 1.00 0.00 H new ATOM 0 HG2 ARG A 63 77.333 1.642 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 63 76.005 1.145 14.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 76.769 -1.216 15.065 1.00 0.00 H new ATOM 0 HD3 ARG A 63 78.185 -0.754 15.988 1.00 0.00 H new ATOM 0 HE ARG A 63 75.551 0.011 17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 63 78.662 -1.083 17.821 1.00 0.00 H new ATOM 0 HH12 ARG A 63 78.205 -2.319 18.998 1.00 0.00 H new ATOM 0 HH21 ARG A 63 74.786 -2.053 18.319 1.00 0.00 H new ATOM 0 HH22 ARG A 63 76.029 -2.864 19.278 1.00 0.00 H new ATOM 1054 N ARG A 64 78.802 3.684 12.384 1.00 0.00 N ATOM 1055 CA ARG A 64 79.334 5.069 12.442 1.00 0.00 C ATOM 1056 C ARG A 64 80.128 5.369 11.169 1.00 0.00 C ATOM 1057 O ARG A 64 80.920 6.290 11.123 1.00 0.00 O ATOM 1058 CB ARG A 64 80.245 5.218 13.663 1.00 0.00 C ATOM 1059 CG ARG A 64 81.442 4.276 13.526 1.00 0.00 C ATOM 1060 CD ARG A 64 81.637 3.506 14.833 1.00 0.00 C ATOM 1061 NE ARG A 64 82.481 2.304 14.581 1.00 0.00 N ATOM 1062 CZ ARG A 64 82.110 1.139 15.037 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.277 0.405 14.352 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.572 0.709 16.179 1.00 0.00 N ATOM 0 H ARG A 64 79.325 3.043 11.787 1.00 0.00 H new ATOM 0 HA ARG A 64 78.504 5.771 12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.588 6.249 13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.691 4.989 14.573 1.00 0.00 H new ATOM 0 HG2 ARG A 64 81.279 3.581 12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 64 82.341 4.845 13.289 1.00 0.00 H new ATOM 0 HD2 ARG A 64 82.110 4.146 15.577 1.00 0.00 H new ATOM 0 HD3 ARG A 64 80.671 3.206 15.239 1.00 0.00 H new ATOM 0 HE ARG A 64 83.349 2.392 14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.915 0.742 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 64 80.987 -0.506 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 83.223 1.283 16.715 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.282 -0.202 16.536 1.00 0.00 H new ATOM 1078 N LEU A 65 79.920 4.604 10.132 1.00 0.00 N ATOM 1079 CA LEU A 65 80.655 4.846 8.866 1.00 0.00 C ATOM 1080 C LEU A 65 79.699 4.700 7.686 1.00 0.00 C ATOM 1081 O LEU A 65 80.082 4.235 6.630 1.00 0.00 O ATOM 1082 CB LEU A 65 81.798 3.840 8.716 1.00 0.00 C ATOM 1083 CG LEU A 65 82.303 3.410 10.094 1.00 0.00 C ATOM 1084 CD1 LEU A 65 81.584 2.131 10.526 1.00 0.00 C ATOM 1085 CD2 LEU A 65 83.808 3.148 10.024 1.00 0.00 C ATOM 0 H LEU A 65 79.269 3.819 10.111 1.00 0.00 H new ATOM 0 HA LEU A 65 81.068 5.855 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 65 81.455 2.969 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 65 82.612 4.285 8.144 1.00 0.00 H new ATOM 0 HG LEU A 65 82.103 4.201 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.944 1.825 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 80.511 2.316 10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 65 81.784 1.340 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 65 84.170 2.841 11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.006 2.357 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 65 84.322 4.059 9.716 1.00 0.00 H new ATOM 1097 N LEU A 66 78.461 5.102 7.842 1.00 0.00 N ATOM 1098 CA LEU A 66 77.501 4.995 6.705 1.00 0.00 C ATOM 1099 C LEU A 66 78.219 5.484 5.451 1.00 0.00 C ATOM 1100 O LEU A 66 78.288 4.804 4.448 1.00 0.00 O ATOM 1101 CB LEU A 66 76.275 5.870 6.976 1.00 0.00 C ATOM 1102 CG LEU A 66 75.396 5.921 5.725 1.00 0.00 C ATOM 1103 CD1 LEU A 66 74.119 5.114 5.965 1.00 0.00 C ATOM 1104 CD2 LEU A 66 75.028 7.377 5.422 1.00 0.00 C ATOM 0 H LEU A 66 78.078 5.496 8.701 1.00 0.00 H new ATOM 0 HA LEU A 66 77.167 3.965 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.707 5.469 7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 66 76.588 6.876 7.254 1.00 0.00 H new ATOM 0 HG LEU A 66 75.940 5.498 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.493 5.150 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 66 74.379 4.078 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 73.574 5.537 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 66 74.402 7.416 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 66 74.483 7.798 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 75.937 7.954 5.252 1.00 0.00 H new ATOM 1116 N ARG A 67 78.795 6.647 5.531 1.00 0.00 N ATOM 1117 CA ARG A 67 79.559 7.186 4.387 1.00 0.00 C ATOM 1118 C ARG A 67 81.041 6.939 4.668 1.00 0.00 C ATOM 1119 O ARG A 67 81.837 6.755 3.770 1.00 0.00 O ATOM 1120 CB ARG A 67 79.300 8.688 4.255 1.00 0.00 C ATOM 1121 CG ARG A 67 79.157 9.058 2.777 1.00 0.00 C ATOM 1122 CD ARG A 67 79.007 10.575 2.645 1.00 0.00 C ATOM 1123 NE ARG A 67 79.238 10.979 1.230 1.00 0.00 N ATOM 1124 CZ ARG A 67 80.225 11.779 0.932 1.00 0.00 C ATOM 1125 NH1 ARG A 67 81.441 11.314 0.850 1.00 0.00 N ATOM 1126 NH2 ARG A 67 79.994 13.045 0.715 1.00 0.00 N ATOM 0 H ARG A 67 78.766 7.251 6.352 1.00 0.00 H new ATOM 0 HA ARG A 67 79.257 6.701 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 78.394 8.960 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.120 9.249 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.030 8.718 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 67 78.289 8.557 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.010 10.881 2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.719 11.079 3.299 1.00 0.00 H new ATOM 0 HE ARG A 67 78.624 10.630 0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 67 81.621 10.324 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 67 82.212 11.940 0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.043 13.408 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 67 80.765 13.671 0.482 1.00 0.00 H new ATOM 1140 N TYR A 68 81.404 6.934 5.930 1.00 0.00 N ATOM 1141 CA TYR A 68 82.825 6.698 6.325 1.00 0.00 C ATOM 1142 C TYR A 68 83.635 7.989 6.167 1.00 0.00 C ATOM 1143 O TYR A 68 84.723 8.117 6.692 1.00 0.00 O ATOM 1144 CB TYR A 68 83.426 5.596 5.455 1.00 0.00 C ATOM 1145 CG TYR A 68 84.715 5.111 6.073 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.878 5.883 5.962 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.748 3.888 6.755 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.074 5.433 6.535 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.944 3.438 7.326 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.107 4.209 7.217 1.00 0.00 C ATOM 1151 OH TYR A 68 88.286 3.766 7.781 1.00 0.00 O ATOM 0 H TYR A 68 80.765 7.086 6.711 1.00 0.00 H new ATOM 0 HA TYR A 68 82.858 6.387 7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.722 4.769 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.612 5.973 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.853 6.825 5.435 1.00 0.00 H new ATOM 0 HD2 TYR A 68 83.851 3.293 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.971 6.029 6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 68 85.969 2.495 7.851 1.00 0.00 H new ATOM 0 HH TYR A 68 88.135 2.901 8.217 1.00 0.00 H new ATOM 1161 N LEU A 69 83.111 8.948 5.457 1.00 0.00 N ATOM 1162 CA LEU A 69 83.838 10.229 5.273 1.00 0.00 C ATOM 1163 C LEU A 69 83.443 11.190 6.394 1.00 0.00 C ATOM 1164 O LEU A 69 84.183 12.085 6.751 1.00 0.00 O ATOM 1165 CB LEU A 69 83.465 10.833 3.917 1.00 0.00 C ATOM 1166 CG LEU A 69 83.900 12.299 3.864 1.00 0.00 C ATOM 1167 CD1 LEU A 69 84.088 12.721 2.407 1.00 0.00 C ATOM 1168 CD2 LEU A 69 82.823 13.172 4.512 1.00 0.00 C ATOM 0 H LEU A 69 82.204 8.897 4.994 1.00 0.00 H new ATOM 0 HA LEU A 69 84.914 10.055 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 83.945 10.273 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 69 82.389 10.758 3.759 1.00 0.00 H new ATOM 0 HG LEU A 69 84.840 12.420 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 69 84.398 13.765 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 69 84.853 12.098 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 69 83.147 12.601 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 69 83.131 14.217 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 81.884 13.051 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.686 12.870 5.550 1.00 0.00 H new ATOM 1180 N GLN A 70 82.279 11.007 6.953 1.00 0.00 N ATOM 1181 CA GLN A 70 81.830 11.903 8.053 1.00 0.00 C ATOM 1182 C GLN A 70 82.972 12.083 9.055 1.00 0.00 C ATOM 1183 O GLN A 70 83.052 13.072 9.756 1.00 0.00 O ATOM 1184 CB GLN A 70 80.632 11.268 8.762 1.00 0.00 C ATOM 1185 CG GLN A 70 81.058 9.941 9.393 1.00 0.00 C ATOM 1186 CD GLN A 70 80.025 9.519 10.440 1.00 0.00 C ATOM 1187 OE1 GLN A 70 79.310 8.555 10.249 1.00 0.00 O ATOM 1188 NE2 GLN A 70 79.915 10.205 11.544 1.00 0.00 N ATOM 0 H GLN A 70 81.619 10.274 6.694 1.00 0.00 H new ATOM 0 HA GLN A 70 81.544 12.872 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.251 11.942 9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.822 11.102 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.148 9.173 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.039 10.045 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.515 11.014 11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 70 79.229 9.932 12.248 1.00 0.00 H new ATOM 1197 N ARG A 71 83.848 11.122 9.131 1.00 0.00 N ATOM 1198 CA ARG A 71 84.985 11.212 10.087 1.00 0.00 C ATOM 1199 C ARG A 71 85.955 12.308 9.642 1.00 0.00 C ATOM 1200 O ARG A 71 86.378 13.132 10.429 1.00 0.00 O ATOM 1201 CB ARG A 71 85.720 9.871 10.133 1.00 0.00 C ATOM 1202 CG ARG A 71 84.739 8.763 10.523 1.00 0.00 C ATOM 1203 CD ARG A 71 84.299 8.959 11.975 1.00 0.00 C ATOM 1204 NE ARG A 71 85.151 8.127 12.870 1.00 0.00 N ATOM 1205 CZ ARG A 71 84.900 8.075 14.149 1.00 0.00 C ATOM 1206 NH1 ARG A 71 83.669 8.137 14.574 1.00 0.00 N ATOM 1207 NH2 ARG A 71 85.881 7.962 15.003 1.00 0.00 N ATOM 0 H ARG A 71 83.825 10.272 8.568 1.00 0.00 H new ATOM 0 HA ARG A 71 84.600 11.454 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.163 9.654 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.538 9.917 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 71 83.872 8.782 9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.210 7.787 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 71 84.380 10.010 12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 71 83.252 8.679 12.089 1.00 0.00 H new ATOM 0 HE ARG A 71 85.932 7.597 12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 71 82.903 8.226 13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 71 83.472 8.096 15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 71 86.844 7.914 14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 71 85.684 7.921 16.003 1.00 0.00 H new ATOM 1221 N GLU A 72 86.317 12.324 8.388 1.00 0.00 N ATOM 1222 CA GLU A 72 87.260 13.364 7.898 1.00 0.00 C ATOM 1223 C GLU A 72 86.490 14.594 7.446 1.00 0.00 C ATOM 1224 O GLU A 72 86.990 15.436 6.726 1.00 0.00 O ATOM 1225 CB GLU A 72 88.059 12.809 6.729 1.00 0.00 C ATOM 1226 CG GLU A 72 89.068 11.785 7.246 1.00 0.00 C ATOM 1227 CD GLU A 72 90.126 11.520 6.173 1.00 0.00 C ATOM 1228 OE1 GLU A 72 90.105 12.209 5.167 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.939 10.634 6.378 1.00 0.00 O ATOM 0 H GLU A 72 85.999 11.660 7.682 1.00 0.00 H new ATOM 0 HA GLU A 72 87.935 13.644 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 72 87.390 12.344 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.576 13.617 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.542 12.154 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.559 10.857 7.506 1.00 0.00 H new ATOM 1236 N ASP A 73 85.280 14.693 7.872 1.00 0.00 N ATOM 1237 CA ASP A 73 84.432 15.858 7.495 1.00 0.00 C ATOM 1238 C ASP A 73 83.032 15.675 8.090 1.00 0.00 C ATOM 1239 O ASP A 73 82.257 14.877 7.601 1.00 0.00 O ATOM 1240 CB ASP A 73 84.330 15.939 5.970 1.00 0.00 C ATOM 1241 CG ASP A 73 85.269 17.031 5.454 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.584 17.926 6.221 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.659 16.954 4.300 1.00 0.00 O ATOM 0 H ASP A 73 84.824 14.010 8.477 1.00 0.00 H new ATOM 0 HA ASP A 73 84.877 16.776 7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.592 14.979 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.304 16.157 5.674 1.00 0.00 H new ATOM 1248 N PRO A 74 82.746 16.420 9.130 1.00 0.00 N ATOM 1249 CA PRO A 74 81.441 16.355 9.808 1.00 0.00 C ATOM 1250 C PRO A 74 80.384 17.082 8.981 1.00 0.00 C ATOM 1251 O PRO A 74 79.219 16.739 8.999 1.00 0.00 O ATOM 1252 CB PRO A 74 81.689 17.062 11.143 1.00 0.00 C ATOM 1253 CG PRO A 74 82.925 17.969 10.930 1.00 0.00 C ATOM 1254 CD PRO A 74 83.686 17.395 9.720 1.00 0.00 C ATOM 0 HA PRO A 74 81.072 15.338 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 74 80.821 17.651 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 74 81.869 16.339 11.938 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.622 19.000 10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 74 83.558 17.977 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.948 18.177 9.007 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.617 16.917 10.025 1.00 0.00 H new ATOM 1262 N GLU A 75 80.788 18.072 8.243 1.00 0.00 N ATOM 1263 CA GLU A 75 79.818 18.814 7.397 1.00 0.00 C ATOM 1264 C GLU A 75 79.369 17.898 6.262 1.00 0.00 C ATOM 1265 O GLU A 75 78.194 17.674 6.057 1.00 0.00 O ATOM 1266 CB GLU A 75 80.485 20.064 6.821 1.00 0.00 C ATOM 1267 CG GLU A 75 79.588 20.670 5.740 1.00 0.00 C ATOM 1268 CD GLU A 75 80.042 22.101 5.442 1.00 0.00 C ATOM 1269 OE1 GLU A 75 80.799 22.638 6.234 1.00 0.00 O ATOM 1270 OE2 GLU A 75 79.625 22.634 4.427 1.00 0.00 O ATOM 0 H GLU A 75 81.752 18.401 8.188 1.00 0.00 H new ATOM 0 HA GLU A 75 78.958 19.120 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.661 20.792 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.458 19.809 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.634 20.066 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 75 78.550 20.668 6.071 1.00 0.00 H new ATOM 1277 N ARG A 76 80.300 17.346 5.533 1.00 0.00 N ATOM 1278 CA ARG A 76 79.924 16.427 4.428 1.00 0.00 C ATOM 1279 C ARG A 76 79.067 15.299 5.004 1.00 0.00 C ATOM 1280 O ARG A 76 78.373 14.605 4.286 1.00 0.00 O ATOM 1281 CB ARG A 76 81.187 15.842 3.792 1.00 0.00 C ATOM 1282 CG ARG A 76 81.753 16.834 2.775 1.00 0.00 C ATOM 1283 CD ARG A 76 82.531 17.928 3.507 1.00 0.00 C ATOM 1284 NE ARG A 76 83.492 18.570 2.566 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.986 19.747 2.839 1.00 0.00 C ATOM 1286 NH1 ARG A 76 83.215 20.681 3.324 1.00 0.00 N ATOM 1287 NH2 ARG A 76 85.250 19.989 2.627 1.00 0.00 N ATOM 0 H ARG A 76 81.302 17.493 5.656 1.00 0.00 H new ATOM 0 HA ARG A 76 79.364 16.969 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.930 15.630 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.956 14.896 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.406 16.317 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 76 80.944 17.276 2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 76 81.843 18.674 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.066 17.502 4.356 1.00 0.00 H new ATOM 0 HE ARG A 76 83.764 18.089 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 76 82.227 20.491 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 76 83.601 21.601 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 76 85.853 19.259 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.636 20.909 2.840 1.00 0.00 H new ATOM 1301 N TYR A 77 79.113 15.112 6.299 1.00 0.00 N ATOM 1302 CA TYR A 77 78.307 14.041 6.935 1.00 0.00 C ATOM 1303 C TYR A 77 76.869 14.526 7.144 1.00 0.00 C ATOM 1304 O TYR A 77 76.281 14.306 8.184 1.00 0.00 O ATOM 1305 CB TYR A 77 78.902 13.698 8.299 1.00 0.00 C ATOM 1306 CG TYR A 77 78.109 12.579 8.930 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.560 11.568 8.129 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.920 12.552 10.316 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.824 10.532 8.717 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.184 11.516 10.903 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.636 10.506 10.104 1.00 0.00 C ATOM 1312 OH TYR A 77 75.911 9.485 10.682 1.00 0.00 O ATOM 0 H TYR A 77 79.681 15.663 6.943 1.00 0.00 H new ATOM 0 HA TYR A 77 78.313 13.164 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.945 13.401 8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.888 14.576 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.705 11.588 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.342 13.331 10.933 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.401 9.753 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.039 11.496 11.973 1.00 0.00 H new ATOM 0 HH TYR A 77 75.877 9.617 11.653 1.00 0.00 H new ATOM 1322 N ARG A 78 76.299 15.194 6.180 1.00 0.00 N ATOM 1323 CA ARG A 78 74.912 15.693 6.354 1.00 0.00 C ATOM 1324 C ARG A 78 74.148 15.604 5.027 1.00 0.00 C ATOM 1325 O ARG A 78 73.244 16.375 4.774 1.00 0.00 O ATOM 1326 CB ARG A 78 74.960 17.149 6.842 1.00 0.00 C ATOM 1327 CG ARG A 78 75.147 18.099 5.653 1.00 0.00 C ATOM 1328 CD ARG A 78 76.135 19.202 6.031 1.00 0.00 C ATOM 1329 NE ARG A 78 75.445 20.523 5.993 1.00 0.00 N ATOM 1330 CZ ARG A 78 75.104 21.114 7.105 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.052 20.711 7.764 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.817 22.108 7.560 1.00 0.00 N ATOM 0 H ARG A 78 76.734 15.414 5.284 1.00 0.00 H new ATOM 0 HA ARG A 78 74.394 15.079 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.039 17.394 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.778 17.276 7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.515 17.548 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 78 74.190 18.536 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 78 76.537 19.019 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 78 76.979 19.201 5.341 1.00 0.00 H new ATOM 0 HE ARG A 78 75.239 20.965 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 78 73.495 19.933 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 78 73.786 21.174 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.640 22.422 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 78 75.551 22.571 8.429 1.00 0.00 H new ATOM 1346 N ALA A 79 74.499 14.678 4.176 1.00 0.00 N ATOM 1347 CA ALA A 79 73.783 14.562 2.882 1.00 0.00 C ATOM 1348 C ALA A 79 73.469 13.104 2.586 1.00 0.00 C ATOM 1349 O ALA A 79 72.325 12.710 2.487 1.00 0.00 O ATOM 1350 CB ALA A 79 74.648 15.143 1.766 1.00 0.00 C ATOM 0 H ALA A 79 75.248 14.001 4.323 1.00 0.00 H new ATOM 0 HA ALA A 79 72.847 15.118 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.121 15.057 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.853 16.193 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.588 14.594 1.711 1.00 0.00 H new ATOM 1356 N LEU A 80 74.473 12.297 2.456 1.00 0.00 N ATOM 1357 CA LEU A 80 74.231 10.857 2.179 1.00 0.00 C ATOM 1358 C LEU A 80 73.624 10.205 3.418 1.00 0.00 C ATOM 1359 O LEU A 80 73.257 9.049 3.406 1.00 0.00 O ATOM 1360 CB LEU A 80 75.552 10.173 1.819 1.00 0.00 C ATOM 1361 CG LEU A 80 75.553 9.818 0.331 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.600 11.101 -0.501 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.779 8.960 0.013 1.00 0.00 C ATOM 0 H LEU A 80 75.454 12.568 2.529 1.00 0.00 H new ATOM 0 HA LEU A 80 73.541 10.753 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.389 10.832 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.683 9.272 2.419 1.00 0.00 H new ATOM 0 HG LEU A 80 74.647 9.262 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.601 10.847 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.727 11.713 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.506 11.658 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.781 8.706 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.685 9.516 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.746 8.045 0.605 1.00 0.00 H new ATOM 1375 N ILE A 81 73.489 10.942 4.486 1.00 0.00 N ATOM 1376 CA ILE A 81 72.877 10.358 5.701 1.00 0.00 C ATOM 1377 C ILE A 81 71.365 10.308 5.461 1.00 0.00 C ATOM 1378 O ILE A 81 70.669 9.414 5.895 1.00 0.00 O ATOM 1379 CB ILE A 81 73.239 11.209 6.944 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.043 12.049 7.409 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.409 12.129 6.639 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.146 11.187 8.296 1.00 0.00 C ATOM 0 H ILE A 81 73.776 11.918 4.565 1.00 0.00 H new ATOM 0 HA ILE A 81 73.252 9.353 5.894 1.00 0.00 H new ATOM 0 HB ILE A 81 73.517 10.520 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.389 12.924 7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.482 12.415 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.649 12.719 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.276 11.533 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.143 12.797 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.292 11.776 8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.792 10.326 7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.712 10.843 9.161 1.00 0.00 H new ATOM 1394 N GLU A 82 70.857 11.265 4.751 1.00 0.00 N ATOM 1395 CA GLU A 82 69.404 11.277 4.468 1.00 0.00 C ATOM 1396 C GLU A 82 69.108 10.508 3.174 1.00 0.00 C ATOM 1397 O GLU A 82 67.965 10.343 2.799 1.00 0.00 O ATOM 1398 CB GLU A 82 68.922 12.722 4.326 1.00 0.00 C ATOM 1399 CG GLU A 82 68.341 13.201 5.658 1.00 0.00 C ATOM 1400 CD GLU A 82 68.815 14.628 5.938 1.00 0.00 C ATOM 1401 OE1 GLU A 82 70.016 14.845 5.929 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.970 15.480 6.156 1.00 0.00 O ATOM 0 H GLU A 82 71.386 12.041 4.353 1.00 0.00 H new ATOM 0 HA GLU A 82 68.880 10.795 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.750 13.365 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.167 12.789 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.252 13.168 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.655 12.537 6.464 1.00 0.00 H new ATOM 1409 N LYS A 83 70.115 10.041 2.478 1.00 0.00 N ATOM 1410 CA LYS A 83 69.844 9.303 1.216 1.00 0.00 C ATOM 1411 C LYS A 83 70.442 7.890 1.266 1.00 0.00 C ATOM 1412 O LYS A 83 70.831 7.346 0.253 1.00 0.00 O ATOM 1413 CB LYS A 83 70.454 10.069 0.041 1.00 0.00 C ATOM 1414 CG LYS A 83 70.333 11.573 0.294 1.00 0.00 C ATOM 1415 CD LYS A 83 69.907 12.276 -0.995 1.00 0.00 C ATOM 1416 CE LYS A 83 68.559 11.722 -1.459 1.00 0.00 C ATOM 1417 NZ LYS A 83 67.703 12.840 -1.949 1.00 0.00 N ATOM 0 H LYS A 83 71.099 10.139 2.728 1.00 0.00 H new ATOM 0 HA LYS A 83 68.765 9.218 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.501 9.793 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.943 9.803 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.604 11.762 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 83 71.287 11.972 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 83 69.832 13.350 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.659 12.126 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.709 10.990 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 83 68.064 11.205 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 66.720 12.681 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.044 13.738 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.747 12.882 -2.987 1.00 0.00 H new ATOM 1431 N LEU A 84 70.524 7.287 2.423 1.00 0.00 N ATOM 1432 CA LEU A 84 71.103 5.919 2.494 1.00 0.00 C ATOM 1433 C LEU A 84 70.423 5.082 3.582 1.00 0.00 C ATOM 1434 O LEU A 84 69.788 4.083 3.306 1.00 0.00 O ATOM 1435 CB LEU A 84 72.594 6.023 2.801 1.00 0.00 C ATOM 1436 CG LEU A 84 73.250 6.938 1.773 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.718 7.153 2.146 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.169 6.290 0.389 1.00 0.00 C ATOM 0 H LEU A 84 70.217 7.681 3.313 1.00 0.00 H new ATOM 0 HA LEU A 84 70.943 5.428 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.745 6.417 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.054 5.035 2.773 1.00 0.00 H new ATOM 0 HG LEU A 84 72.733 7.897 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.188 7.807 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.779 7.612 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.234 6.193 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.638 6.944 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.687 5.331 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.124 6.133 0.121 1.00 0.00 H new ATOM 1450 N GLY A 85 70.573 5.468 4.814 1.00 0.00 N ATOM 1451 CA GLY A 85 69.964 4.684 5.930 1.00 0.00 C ATOM 1452 C GLY A 85 70.930 4.708 7.116 1.00 0.00 C ATOM 1453 O GLY A 85 71.295 3.691 7.668 1.00 0.00 O ATOM 0 H GLY A 85 71.093 6.297 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.003 5.112 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.775 3.658 5.615 1.00 0.00 H new ATOM 1457 N ILE A 86 71.364 5.879 7.471 1.00 0.00 N ATOM 1458 CA ILE A 86 72.331 6.054 8.574 1.00 0.00 C ATOM 1459 C ILE A 86 71.594 6.179 9.918 1.00 0.00 C ATOM 1460 O ILE A 86 71.401 5.202 10.614 1.00 0.00 O ATOM 1461 CB ILE A 86 73.112 7.330 8.248 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.764 7.931 9.476 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.165 8.361 7.660 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.333 6.824 10.366 1.00 0.00 C ATOM 0 H ILE A 86 71.076 6.750 7.024 1.00 0.00 H new ATOM 0 HA ILE A 86 73.001 5.199 8.666 1.00 0.00 H new ATOM 0 HB ILE A 86 73.895 7.060 7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.560 8.613 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.034 8.518 10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.717 9.271 7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.716 7.965 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.380 8.588 8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.799 7.268 11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.528 6.159 10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.078 6.256 9.809 1.00 0.00 H new ATOM 1476 N ARG A 87 71.180 7.358 10.290 1.00 0.00 N ATOM 1477 CA ARG A 87 70.470 7.535 11.562 1.00 0.00 C ATOM 1478 C ARG A 87 68.972 7.622 11.285 1.00 0.00 C ATOM 1479 O ARG A 87 68.390 6.752 10.668 1.00 0.00 O ATOM 1480 CB ARG A 87 70.987 8.815 12.224 1.00 0.00 C ATOM 1481 CG ARG A 87 72.466 8.645 12.576 1.00 0.00 C ATOM 1482 CD ARG A 87 72.722 9.196 13.980 1.00 0.00 C ATOM 1483 NE ARG A 87 74.082 8.789 14.434 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.255 7.642 15.030 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.338 6.718 14.947 1.00 0.00 N ATOM 1486 NH2 ARG A 87 75.346 7.420 15.713 1.00 0.00 N ATOM 0 H ARG A 87 71.311 8.213 9.749 1.00 0.00 H new ATOM 0 HA ARG A 87 70.644 6.694 12.233 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.857 9.663 11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.410 9.030 13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.743 7.592 12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.087 9.169 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.638 10.283 13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.968 8.821 14.672 1.00 0.00 H new ATOM 0 HE ARG A 87 74.878 9.408 14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.485 6.892 14.416 1.00 0.00 H new ATOM 0 HH12 ARG A 87 73.474 5.821 15.413 1.00 0.00 H new ATOM 0 HH21 ARG A 87 76.062 8.143 15.780 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.482 6.523 16.179 1.00 0.00 H new ATOM 1500 N GLY A 88 68.353 8.656 11.736 1.00 0.00 N ATOM 1501 CA GLY A 88 66.889 8.818 11.511 1.00 0.00 C ATOM 1502 C GLY A 88 66.437 10.177 12.049 1.00 0.00 C ATOM 1503 O GLY A 88 67.257 10.863 12.636 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.277 10.509 11.865 1.00 0.00 O ATOM 0 H GLY A 88 68.795 9.412 12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.663 8.743 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.343 8.018 12.010 1.00 0.00 H new TER 1508 GLY A 88