USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.0829 K(o=0.61,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 178:sc= 0.524 (180deg=-0.705) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 165:sc= 2.55 (180deg=1.12) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 1.06 USER MOD Set 3.1: A 5 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-3.3!) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -26:sc= 0.124 USER MOD Single : A 11 THR OG1 : rot -90:sc= -0.0226 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc=-0.00115 (180deg=-0.105) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 165:sc= 0.0184 USER MOD Single : A 34 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= 0.696 (180deg=-0.329) USER MOD Single : A 44 THR OG1 : rot -102:sc= 1.49 USER MOD Single : A 46 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-4.9) USER MOD Single : A 50 SER OG : rot -103:sc= 1.24 USER MOD Single : A 54 TYR OH : rot -113:sc= 1.23 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.66 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.19) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.15) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.05 F(o=-1.9,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.870 7.902 -8.715 1.00 0.00 N ATOM 2 CA GLU A 2 12.345 9.168 -8.238 1.00 0.00 C ATOM 3 C GLU A 2 12.025 9.030 -6.760 1.00 0.00 C ATOM 4 O GLU A 2 11.685 7.938 -6.294 1.00 0.00 O ATOM 5 CB GLU A 2 11.092 9.543 -9.032 1.00 0.00 C ATOM 6 CG GLU A 2 10.446 10.853 -8.622 1.00 0.00 C ATOM 7 CD GLU A 2 9.184 11.126 -9.395 1.00 0.00 C ATOM 8 OE1 GLU A 2 9.255 11.664 -10.517 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.091 10.812 -8.903 1.00 0.00 O ATOM 0 HA GLU A 2 13.081 9.960 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.352 9.598 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.359 8.744 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.220 10.828 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.151 11.669 -8.779 1.00 0.00 H new ATOM 16 N LEU A 3 12.165 10.099 -6.020 1.00 0.00 N ATOM 17 CA LEU A 3 11.853 10.097 -4.617 1.00 0.00 C ATOM 18 C LEU A 3 10.722 11.073 -4.363 1.00 0.00 C ATOM 19 O LEU A 3 10.590 12.069 -5.079 1.00 0.00 O ATOM 20 CB LEU A 3 13.088 10.433 -3.772 1.00 0.00 C ATOM 21 CG LEU A 3 14.282 9.467 -3.908 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.454 9.938 -3.070 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.885 8.049 -3.510 1.00 0.00 C ATOM 0 H LEU A 3 12.499 10.995 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 3 11.534 9.098 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.424 11.435 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.789 10.465 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 3 14.585 9.458 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.285 9.241 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.764 10.929 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.157 9.984 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.745 7.387 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.547 8.043 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.079 7.702 -4.157 1.00 0.00 H new ATOM 35 N LYS A 4 9.932 10.805 -3.353 1.00 0.00 N ATOM 36 CA LYS A 4 8.736 11.587 -3.090 1.00 0.00 C ATOM 37 C LYS A 4 8.819 12.303 -1.769 1.00 0.00 C ATOM 38 O LYS A 4 9.735 12.071 -0.978 1.00 0.00 O ATOM 39 CB LYS A 4 7.458 10.710 -3.077 1.00 0.00 C ATOM 40 CG LYS A 4 7.442 9.579 -2.041 1.00 0.00 C ATOM 41 CD LYS A 4 8.226 8.359 -2.505 1.00 0.00 C ATOM 42 CE LYS A 4 8.202 7.262 -1.464 1.00 0.00 C ATOM 43 NZ LYS A 4 8.769 6.007 -1.988 1.00 0.00 N ATOM 0 H LYS A 4 10.093 10.046 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 4 8.674 12.311 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.598 11.355 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.328 10.274 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.862 9.943 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.411 9.290 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.804 7.987 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.257 8.644 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.766 7.579 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.176 7.091 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.973 5.362 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.086 5.560 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.649 6.212 -2.503 1.00 0.00 H new ATOM 57 N HIS A 5 7.860 13.178 -1.537 1.00 0.00 N ATOM 58 CA HIS A 5 7.724 13.829 -0.257 1.00 0.00 C ATOM 59 C HIS A 5 6.954 12.894 0.686 1.00 0.00 C ATOM 60 O HIS A 5 7.350 12.692 1.827 1.00 0.00 O ATOM 61 CB HIS A 5 7.025 15.227 -0.384 1.00 0.00 C ATOM 62 CG HIS A 5 5.571 15.212 -0.832 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.161 15.240 -2.142 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.434 15.150 -0.094 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.828 15.191 -2.165 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.335 15.133 -0.941 1.00 0.00 N ATOM 0 H HIS A 5 7.161 13.453 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 5 8.714 14.025 0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.081 15.727 0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.595 15.832 -1.089 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.771 15.290 -2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.391 15.119 0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.231 15.198 -3.065 1.00 0.00 H new ATOM 74 N SER A 6 5.874 12.293 0.163 1.00 0.00 N ATOM 75 CA SER A 6 5.013 11.393 0.890 1.00 0.00 C ATOM 76 C SER A 6 4.189 10.589 -0.090 1.00 0.00 C ATOM 77 O SER A 6 4.361 10.705 -1.313 1.00 0.00 O ATOM 78 CB SER A 6 4.023 12.164 1.755 1.00 0.00 C ATOM 79 OG SER A 6 4.647 12.988 2.736 1.00 0.00 O ATOM 0 H SER A 6 5.582 12.434 -0.804 1.00 0.00 H new ATOM 0 HA SER A 6 5.647 10.759 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.399 12.786 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.361 11.456 2.254 1.00 0.00 H new ATOM 0 HG SER A 6 3.960 13.456 3.255 1.00 0.00 H new ATOM 85 N ILE A 7 3.252 9.836 0.458 1.00 0.00 N ATOM 86 CA ILE A 7 2.313 9.026 -0.290 1.00 0.00 C ATOM 87 C ILE A 7 1.405 9.899 -1.175 1.00 0.00 C ATOM 88 O ILE A 7 0.876 9.445 -2.175 1.00 0.00 O ATOM 89 CB ILE A 7 1.430 8.230 0.690 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.650 7.134 -0.039 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.496 9.168 1.476 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.243 6.317 0.850 1.00 0.00 C ATOM 0 H ILE A 7 3.121 9.771 1.467 1.00 0.00 H new ATOM 0 HA ILE A 7 2.882 8.351 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 7 2.082 7.739 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.044 7.593 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.357 6.469 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.117 8.581 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.092 9.883 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.149 9.705 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.759 5.564 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.357 5.826 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.977 6.968 1.326 1.00 0.00 H new ATOM 104 N SER A 8 1.277 11.167 -0.811 1.00 0.00 N ATOM 105 CA SER A 8 0.433 12.105 -1.512 1.00 0.00 C ATOM 106 C SER A 8 1.029 12.446 -2.890 1.00 0.00 C ATOM 107 O SER A 8 0.433 13.173 -3.679 1.00 0.00 O ATOM 108 CB SER A 8 0.228 13.360 -0.637 1.00 0.00 C ATOM 109 OG SER A 8 -0.708 14.268 -1.193 1.00 0.00 O ATOM 0 H SER A 8 1.764 11.571 -0.011 1.00 0.00 H new ATOM 0 HA SER A 8 -0.544 11.657 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.111 13.056 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.184 13.866 -0.505 1.00 0.00 H new ATOM 0 HG SER A 8 -0.730 14.160 -2.167 1.00 0.00 H new ATOM 115 N ASP A 9 2.219 11.929 -3.168 1.00 0.00 N ATOM 116 CA ASP A 9 2.799 12.106 -4.492 1.00 0.00 C ATOM 117 C ASP A 9 2.589 10.839 -5.336 1.00 0.00 C ATOM 118 O ASP A 9 3.004 10.743 -6.494 1.00 0.00 O ATOM 119 CB ASP A 9 4.268 12.498 -4.420 1.00 0.00 C ATOM 120 CG ASP A 9 4.805 12.946 -5.762 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.092 13.653 -6.497 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.967 12.641 -6.085 1.00 0.00 O ATOM 0 H ASP A 9 2.790 11.396 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 9 2.283 12.932 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.393 13.301 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.852 11.650 -4.061 1.00 0.00 H new ATOM 127 N TYR A 10 1.933 9.875 -4.754 1.00 0.00 N ATOM 128 CA TYR A 10 1.555 8.681 -5.464 1.00 0.00 C ATOM 129 C TYR A 10 0.128 8.826 -5.865 1.00 0.00 C ATOM 130 O TYR A 10 -0.696 9.247 -5.059 1.00 0.00 O ATOM 131 CB TYR A 10 1.680 7.421 -4.587 1.00 0.00 C ATOM 132 CG TYR A 10 3.075 6.888 -4.393 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.963 7.466 -3.500 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.499 5.773 -5.106 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.221 6.951 -3.331 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.763 5.256 -4.937 1.00 0.00 C ATOM 137 CZ TYR A 10 5.620 5.848 -4.050 1.00 0.00 C ATOM 138 OH TYR A 10 6.893 5.343 -3.882 1.00 0.00 O ATOM 0 H TYR A 10 1.645 9.892 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 10 2.219 8.564 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.257 7.641 -3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.069 6.633 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.660 8.332 -2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.824 5.303 -5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.902 7.412 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.076 4.389 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 10 7.015 4.563 -4.462 1.00 0.00 H new ATOM 148 N THR A 11 -0.177 8.544 -7.090 1.00 0.00 N ATOM 149 CA THR A 11 -1.552 8.525 -7.493 1.00 0.00 C ATOM 150 C THR A 11 -2.162 7.225 -6.980 1.00 0.00 C ATOM 151 O THR A 11 -1.412 6.305 -6.577 1.00 0.00 O ATOM 152 CB THR A 11 -1.697 8.627 -9.027 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.916 7.610 -9.645 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.238 9.986 -9.531 1.00 0.00 C ATOM 0 H THR A 11 0.496 8.325 -7.824 1.00 0.00 H new ATOM 0 HA THR A 11 -2.071 9.387 -7.074 1.00 0.00 H new ATOM 0 HB THR A 11 -2.749 8.501 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.014 7.951 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.351 10.030 -10.614 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.843 10.768 -9.071 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.191 10.136 -9.269 1.00 0.00 H new ATOM 162 N GLU A 12 -3.478 7.121 -6.996 1.00 0.00 N ATOM 163 CA GLU A 12 -4.156 5.934 -6.493 1.00 0.00 C ATOM 164 C GLU A 12 -3.695 4.713 -7.295 1.00 0.00 C ATOM 165 O GLU A 12 -3.455 3.651 -6.743 1.00 0.00 O ATOM 166 CB GLU A 12 -5.674 6.107 -6.594 1.00 0.00 C ATOM 167 CG GLU A 12 -6.485 5.005 -5.931 1.00 0.00 C ATOM 168 CD GLU A 12 -7.965 5.172 -6.159 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.561 6.136 -5.622 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.570 4.331 -6.877 1.00 0.00 O ATOM 0 H GLU A 12 -4.103 7.844 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.903 5.787 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.948 7.061 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.951 6.160 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.166 4.038 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.282 5.001 -4.860 1.00 0.00 H new ATOM 177 N ALA A 13 -3.500 4.924 -8.584 1.00 0.00 N ATOM 178 CA ALA A 13 -3.047 3.879 -9.492 1.00 0.00 C ATOM 179 C ALA A 13 -1.612 3.445 -9.181 1.00 0.00 C ATOM 180 O ALA A 13 -1.341 2.258 -9.105 1.00 0.00 O ATOM 181 CB ALA A 13 -3.165 4.340 -10.933 1.00 0.00 C ATOM 0 H ALA A 13 -3.651 5.827 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.692 3.012 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.822 3.547 -11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.206 4.576 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.552 5.229 -11.082 1.00 0.00 H new ATOM 187 N GLU A 14 -0.709 4.409 -8.966 1.00 0.00 N ATOM 188 CA GLU A 14 0.704 4.095 -8.652 1.00 0.00 C ATOM 189 C GLU A 14 0.810 3.401 -7.329 1.00 0.00 C ATOM 190 O GLU A 14 1.629 2.521 -7.143 1.00 0.00 O ATOM 191 CB GLU A 14 1.549 5.339 -8.604 1.00 0.00 C ATOM 192 CG GLU A 14 1.688 6.051 -9.909 1.00 0.00 C ATOM 193 CD GLU A 14 2.328 7.376 -9.713 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.648 8.286 -9.213 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.524 7.537 -10.019 1.00 0.00 O ATOM 0 H GLU A 14 -0.921 5.406 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 14 1.068 3.444 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.119 6.026 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.543 5.073 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.285 5.451 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.707 6.179 -10.367 1.00 0.00 H new ATOM 202 N PHE A 15 -0.022 3.794 -6.413 1.00 0.00 N ATOM 203 CA PHE A 15 -0.042 3.164 -5.129 1.00 0.00 C ATOM 204 C PHE A 15 -0.618 1.791 -5.261 1.00 0.00 C ATOM 205 O PHE A 15 -0.227 0.891 -4.591 1.00 0.00 O ATOM 206 CB PHE A 15 -0.810 3.978 -4.124 1.00 0.00 C ATOM 207 CG PHE A 15 -0.738 3.408 -2.754 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.326 3.712 -1.937 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.732 2.564 -2.279 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.402 3.196 -0.677 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.659 2.048 -1.021 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.592 2.366 -0.220 1.00 0.00 C ATOM 0 H PHE A 15 -0.697 4.549 -6.531 1.00 0.00 H new ATOM 0 HA PHE A 15 0.981 3.091 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.420 4.996 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.853 4.041 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.108 4.365 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.570 2.314 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.240 3.439 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.436 1.393 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.533 1.960 0.779 1.00 0.00 H new ATOM 222 N LEU A 16 -1.522 1.631 -6.144 1.00 0.00 N ATOM 223 CA LEU A 16 -2.094 0.340 -6.383 1.00 0.00 C ATOM 224 C LEU A 16 -1.071 -0.549 -7.080 1.00 0.00 C ATOM 225 O LEU A 16 -1.156 -1.770 -7.072 1.00 0.00 O ATOM 226 CB LEU A 16 -3.415 0.517 -7.128 1.00 0.00 C ATOM 227 CG LEU A 16 -4.274 -0.689 -7.230 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.721 -0.300 -7.260 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.979 -1.449 -8.451 1.00 0.00 C ATOM 0 H LEU A 16 -1.896 2.379 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.339 -0.177 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.985 1.303 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.196 0.868 -8.136 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.067 -1.307 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.337 -1.196 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.972 0.238 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.907 0.342 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.624 -2.327 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.158 -0.820 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.936 -1.765 -8.440 1.00 0.00 H new ATOM 241 N GLU A 17 -0.111 0.072 -7.636 1.00 0.00 N ATOM 242 CA GLU A 17 1.016 -0.622 -8.163 1.00 0.00 C ATOM 243 C GLU A 17 1.983 -1.014 -7.035 1.00 0.00 C ATOM 244 O GLU A 17 2.757 -1.929 -7.218 1.00 0.00 O ATOM 245 CB GLU A 17 1.740 0.158 -9.253 1.00 0.00 C ATOM 246 CG GLU A 17 0.858 0.506 -10.419 1.00 0.00 C ATOM 247 CD GLU A 17 1.604 1.095 -11.572 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.992 2.278 -11.517 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.811 0.378 -12.583 1.00 0.00 O ATOM 0 H GLU A 17 -0.073 1.085 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 17 0.635 -1.527 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.145 1.075 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.587 -0.429 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.338 -0.392 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.095 1.212 -10.090 1.00 0.00 H new ATOM 256 N PHE A 18 1.902 -0.327 -5.844 1.00 0.00 N ATOM 257 CA PHE A 18 2.779 -0.639 -4.665 1.00 0.00 C ATOM 258 C PHE A 18 2.643 -2.085 -4.374 1.00 0.00 C ATOM 259 O PHE A 18 3.598 -2.835 -4.360 1.00 0.00 O ATOM 260 CB PHE A 18 2.411 0.221 -3.337 1.00 0.00 C ATOM 261 CG PHE A 18 1.581 -0.464 -2.150 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.184 -0.578 -2.185 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.219 -0.966 -1.008 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.527 -1.170 -1.133 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.499 -1.545 0.027 1.00 0.00 C ATOM 266 CZ PHE A 18 0.138 -1.647 -0.038 1.00 0.00 C ATOM 0 H PHE A 18 1.246 0.436 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 18 3.802 -0.368 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.348 0.581 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.851 1.098 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.356 -0.201 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.294 -0.901 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.603 -1.250 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.021 -1.920 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.411 -2.103 0.773 1.00 0.00 H new ATOM 276 N VAL A 19 1.425 -2.465 -4.269 1.00 0.00 N ATOM 277 CA VAL A 19 1.051 -3.779 -3.895 1.00 0.00 C ATOM 278 C VAL A 19 1.314 -4.780 -5.011 1.00 0.00 C ATOM 279 O VAL A 19 1.729 -5.912 -4.753 1.00 0.00 O ATOM 280 CB VAL A 19 -0.418 -3.801 -3.414 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.371 -3.287 -4.462 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.816 -5.150 -2.882 1.00 0.00 C ATOM 0 H VAL A 19 0.632 -1.849 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 19 1.677 -4.091 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.486 -3.106 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.390 -3.323 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.114 -2.258 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.299 -3.908 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.855 -5.120 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.704 -5.898 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.178 -5.411 -2.038 1.00 0.00 H new ATOM 292 N LYS A 20 1.111 -4.353 -6.240 1.00 0.00 N ATOM 293 CA LYS A 20 1.379 -5.208 -7.370 1.00 0.00 C ATOM 294 C LYS A 20 2.882 -5.520 -7.450 1.00 0.00 C ATOM 295 O LYS A 20 3.288 -6.653 -7.726 1.00 0.00 O ATOM 296 CB LYS A 20 0.900 -4.586 -8.668 1.00 0.00 C ATOM 297 CG LYS A 20 -0.599 -4.466 -8.732 1.00 0.00 C ATOM 298 CD LYS A 20 -1.054 -4.044 -10.092 1.00 0.00 C ATOM 299 CE LYS A 20 -2.563 -3.975 -10.196 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.028 -3.682 -11.570 1.00 0.00 N ATOM 0 H LYS A 20 0.763 -3.424 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 20 0.826 -6.136 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.345 -3.597 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.249 -5.189 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.054 -5.423 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.940 -3.742 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.631 -3.068 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.672 -4.745 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.989 -4.923 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.935 -3.206 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.067 -3.646 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.646 -2.765 -11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.698 -4.429 -12.215 1.00 0.00 H new ATOM 314 N LYS A 21 3.698 -4.495 -7.170 1.00 0.00 N ATOM 315 CA LYS A 21 5.151 -4.625 -7.117 1.00 0.00 C ATOM 316 C LYS A 21 5.553 -5.555 -6.004 1.00 0.00 C ATOM 317 O LYS A 21 6.395 -6.400 -6.189 1.00 0.00 O ATOM 318 CB LYS A 21 5.840 -3.265 -6.914 1.00 0.00 C ATOM 319 CG LYS A 21 5.701 -2.301 -8.077 1.00 0.00 C ATOM 320 CD LYS A 21 6.331 -0.950 -7.753 1.00 0.00 C ATOM 321 CE LYS A 21 7.832 -1.056 -7.507 1.00 0.00 C ATOM 322 NZ LYS A 21 8.570 -1.546 -8.687 1.00 0.00 N ATOM 0 H LYS A 21 3.363 -3.552 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 21 5.473 -5.033 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.429 -2.795 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.900 -3.435 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.177 -2.724 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.646 -2.165 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.148 -0.259 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.849 -0.529 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.219 -0.078 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.012 -1.727 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.592 -1.455 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.334 -2.545 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.305 -0.984 -9.521 1.00 0.00 H new ATOM 336 N ILE A 22 4.924 -5.400 -4.858 1.00 0.00 N ATOM 337 CA ILE A 22 5.213 -6.236 -3.700 1.00 0.00 C ATOM 338 C ILE A 22 4.842 -7.698 -3.977 1.00 0.00 C ATOM 339 O ILE A 22 5.552 -8.620 -3.595 1.00 0.00 O ATOM 340 CB ILE A 22 4.489 -5.720 -2.437 1.00 0.00 C ATOM 341 CG1 ILE A 22 4.917 -4.287 -2.155 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.815 -6.599 -1.255 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.266 -3.661 -0.962 1.00 0.00 C ATOM 0 H ILE A 22 4.202 -4.698 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 22 6.286 -6.182 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 22 3.412 -5.748 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.998 -4.266 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.698 -3.678 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.299 -6.225 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.491 -7.619 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.891 -6.588 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.632 -2.642 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.185 -3.644 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.505 -4.241 -0.071 1.00 0.00 H new ATOM 355 N CYS A 23 3.763 -7.897 -4.685 1.00 0.00 N ATOM 356 CA CYS A 23 3.337 -9.225 -5.056 1.00 0.00 C ATOM 357 C CYS A 23 4.407 -9.922 -5.920 1.00 0.00 C ATOM 358 O CYS A 23 4.639 -11.122 -5.794 1.00 0.00 O ATOM 359 CB CYS A 23 2.008 -9.149 -5.802 1.00 0.00 C ATOM 360 SG CYS A 23 1.344 -10.738 -6.341 1.00 0.00 S ATOM 0 H CYS A 23 3.155 -7.150 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 23 3.202 -9.817 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.274 -8.665 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.135 -8.510 -6.676 1.00 0.00 H new ATOM 0 HG CYS A 23 0.216 -10.550 -6.959 1.00 0.00 H new ATOM 366 N ARG A 24 5.078 -9.158 -6.758 1.00 0.00 N ATOM 367 CA ARG A 24 6.086 -9.705 -7.653 1.00 0.00 C ATOM 368 C ARG A 24 7.512 -9.487 -7.107 1.00 0.00 C ATOM 369 O ARG A 24 8.494 -9.803 -7.776 1.00 0.00 O ATOM 370 CB ARG A 24 5.950 -9.085 -9.044 1.00 0.00 C ATOM 371 CG ARG A 24 6.417 -7.647 -9.146 1.00 0.00 C ATOM 372 CD ARG A 24 6.150 -7.093 -10.516 1.00 0.00 C ATOM 373 NE ARG A 24 6.865 -5.833 -10.755 1.00 0.00 N ATOM 374 CZ ARG A 24 6.431 -4.841 -11.539 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.186 -4.843 -11.993 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.238 -3.841 -11.836 1.00 0.00 N ATOM 0 H ARG A 24 4.945 -8.150 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 24 5.920 -10.780 -7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.518 -9.688 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.905 -9.135 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.906 -7.041 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.483 -7.590 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.448 -7.825 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.079 -6.930 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 24 7.762 -5.705 -10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.554 -5.604 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.860 -4.084 -12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.189 -3.827 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.911 -3.082 -12.434 1.00 0.00 H new ATOM 390 N ALA A 25 7.607 -8.992 -5.880 1.00 0.00 N ATOM 391 CA ALA A 25 8.873 -8.536 -5.264 1.00 0.00 C ATOM 392 C ALA A 25 9.868 -9.638 -4.877 1.00 0.00 C ATOM 393 O ALA A 25 10.774 -9.401 -4.080 1.00 0.00 O ATOM 394 CB ALA A 25 8.591 -7.645 -4.076 1.00 0.00 C ATOM 0 H ALA A 25 6.800 -8.889 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 25 9.374 -7.980 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.533 -7.318 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.021 -6.774 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.015 -8.199 -3.334 1.00 0.00 H new ATOM 400 N GLU A 26 9.759 -10.806 -5.459 1.00 0.00 N ATOM 401 CA GLU A 26 10.719 -11.880 -5.199 1.00 0.00 C ATOM 402 C GLU A 26 11.978 -11.669 -6.067 1.00 0.00 C ATOM 403 O GLU A 26 12.483 -12.608 -6.681 1.00 0.00 O ATOM 404 CB GLU A 26 10.103 -13.240 -5.511 1.00 0.00 C ATOM 405 CG GLU A 26 8.863 -13.572 -4.705 1.00 0.00 C ATOM 406 CD GLU A 26 8.361 -14.958 -4.999 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.791 -15.176 -6.084 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.571 -15.866 -4.169 1.00 0.00 O ATOM 0 H GLU A 26 9.019 -11.049 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 26 10.992 -11.856 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.851 -13.275 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.852 -14.012 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.086 -13.484 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.080 -12.847 -4.927 1.00 0.00 H new ATOM 415 N GLY A 27 12.486 -10.431 -6.068 1.00 0.00 N ATOM 416 CA GLY A 27 13.623 -10.040 -6.885 1.00 0.00 C ATOM 417 C GLY A 27 14.843 -10.876 -6.621 1.00 0.00 C ATOM 418 O GLY A 27 15.439 -11.437 -7.544 1.00 0.00 O ATOM 0 H GLY A 27 12.112 -9.674 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.353 -10.121 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.858 -8.993 -6.696 1.00 0.00 H new ATOM 422 N ALA A 28 15.201 -10.984 -5.372 1.00 0.00 N ATOM 423 CA ALA A 28 16.327 -11.791 -4.988 1.00 0.00 C ATOM 424 C ALA A 28 15.949 -12.646 -3.804 1.00 0.00 C ATOM 425 O ALA A 28 15.881 -13.875 -3.902 1.00 0.00 O ATOM 426 CB ALA A 28 17.531 -10.917 -4.670 1.00 0.00 C ATOM 0 H ALA A 28 14.726 -10.520 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 28 16.604 -12.441 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.372 -11.547 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.800 -10.334 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.285 -10.243 -3.850 1.00 0.00 H new ATOM 432 N THR A 29 15.663 -11.994 -2.718 1.00 0.00 N ATOM 433 CA THR A 29 15.289 -12.629 -1.487 1.00 0.00 C ATOM 434 C THR A 29 14.020 -11.970 -0.941 1.00 0.00 C ATOM 435 O THR A 29 13.637 -10.885 -1.413 1.00 0.00 O ATOM 436 CB THR A 29 16.456 -12.516 -0.483 1.00 0.00 C ATOM 437 OG1 THR A 29 17.038 -11.208 -0.587 1.00 0.00 O ATOM 438 CG2 THR A 29 17.523 -13.568 -0.747 1.00 0.00 C ATOM 0 H THR A 29 15.684 -10.976 -2.660 1.00 0.00 H new ATOM 0 HA THR A 29 15.080 -13.686 -1.654 1.00 0.00 H new ATOM 0 HB THR A 29 16.063 -12.680 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.612 -11.043 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.329 -13.459 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.085 -14.562 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.921 -13.438 -1.754 1.00 0.00 H new ATOM 446 N GLU A 30 13.380 -12.598 0.050 1.00 0.00 N ATOM 447 CA GLU A 30 12.112 -12.104 0.615 1.00 0.00 C ATOM 448 C GLU A 30 12.294 -10.735 1.297 1.00 0.00 C ATOM 449 O GLU A 30 11.346 -9.967 1.461 1.00 0.00 O ATOM 450 CB GLU A 30 11.522 -13.126 1.601 1.00 0.00 C ATOM 451 CG GLU A 30 10.136 -12.750 2.123 1.00 0.00 C ATOM 452 CD GLU A 30 9.570 -13.737 3.106 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.025 -14.770 2.688 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.613 -13.483 4.318 1.00 0.00 O ATOM 0 H GLU A 30 13.720 -13.457 0.483 1.00 0.00 H new ATOM 0 HA GLU A 30 11.411 -11.973 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.464 -14.098 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.201 -13.235 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.190 -11.770 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.452 -12.659 1.279 1.00 0.00 H new ATOM 461 N GLU A 31 13.518 -10.423 1.664 1.00 0.00 N ATOM 462 CA GLU A 31 13.825 -9.149 2.283 1.00 0.00 C ATOM 463 C GLU A 31 13.562 -7.989 1.302 1.00 0.00 C ATOM 464 O GLU A 31 13.221 -6.890 1.721 1.00 0.00 O ATOM 465 CB GLU A 31 15.273 -9.140 2.771 1.00 0.00 C ATOM 466 CG GLU A 31 16.290 -9.203 1.655 1.00 0.00 C ATOM 467 CD GLU A 31 17.680 -9.454 2.141 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.188 -8.678 2.980 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.312 -10.422 1.677 1.00 0.00 O ATOM 0 H GLU A 31 14.323 -11.038 1.544 1.00 0.00 H new ATOM 0 HA GLU A 31 13.171 -9.009 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.444 -8.237 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.427 -9.987 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.007 -9.992 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.270 -8.265 1.100 1.00 0.00 H new ATOM 476 N ASP A 32 13.658 -8.277 -0.011 1.00 0.00 N ATOM 477 CA ASP A 32 13.448 -7.260 -1.061 1.00 0.00 C ATOM 478 C ASP A 32 11.970 -6.915 -1.132 1.00 0.00 C ATOM 479 O ASP A 32 11.577 -5.796 -1.459 1.00 0.00 O ATOM 480 CB ASP A 32 13.946 -7.773 -2.425 1.00 0.00 C ATOM 481 CG ASP A 32 13.963 -6.697 -3.496 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.797 -5.777 -3.404 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.189 -6.762 -4.468 1.00 0.00 O ATOM 0 H ASP A 32 13.880 -9.206 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 32 14.019 -6.366 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.951 -8.178 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.308 -8.594 -2.753 1.00 0.00 H new ATOM 488 N ASP A 33 11.182 -7.881 -0.751 1.00 0.00 N ATOM 489 CA ASP A 33 9.735 -7.785 -0.683 1.00 0.00 C ATOM 490 C ASP A 33 9.328 -6.975 0.547 1.00 0.00 C ATOM 491 O ASP A 33 8.673 -5.924 0.444 1.00 0.00 O ATOM 492 CB ASP A 33 9.176 -9.217 -0.621 1.00 0.00 C ATOM 493 CG ASP A 33 7.725 -9.330 -0.232 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.851 -9.147 -1.078 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.439 -9.709 0.911 1.00 0.00 O ATOM 0 H ASP A 33 11.535 -8.795 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 33 9.333 -7.274 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.310 -9.683 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.771 -9.790 0.090 1.00 0.00 H new ATOM 500 N ASN A 34 9.799 -7.428 1.689 1.00 0.00 N ATOM 501 CA ASN A 34 9.515 -6.824 2.989 1.00 0.00 C ATOM 502 C ASN A 34 9.962 -5.352 3.053 1.00 0.00 C ATOM 503 O ASN A 34 9.233 -4.504 3.577 1.00 0.00 O ATOM 504 CB ASN A 34 10.197 -7.674 4.071 1.00 0.00 C ATOM 505 CG ASN A 34 9.926 -7.295 5.526 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.644 -6.163 5.869 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.032 -8.262 6.393 1.00 0.00 N ATOM 0 H ASN A 34 10.405 -8.246 1.749 1.00 0.00 H new ATOM 0 HA ASN A 34 8.438 -6.811 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.892 -8.711 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.274 -7.633 3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.877 -8.078 7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.270 -9.203 6.080 1.00 0.00 H new ATOM 514 N LYS A 35 11.129 -5.029 2.473 1.00 0.00 N ATOM 515 CA LYS A 35 11.621 -3.648 2.519 1.00 0.00 C ATOM 516 C LYS A 35 10.709 -2.671 1.790 1.00 0.00 C ATOM 517 O LYS A 35 10.660 -1.487 2.129 1.00 0.00 O ATOM 518 CB LYS A 35 13.095 -3.517 2.100 1.00 0.00 C ATOM 519 CG LYS A 35 13.461 -3.924 0.683 1.00 0.00 C ATOM 520 CD LYS A 35 13.134 -2.866 -0.367 1.00 0.00 C ATOM 521 CE LYS A 35 13.587 -3.305 -1.755 1.00 0.00 C ATOM 522 NZ LYS A 35 15.050 -3.560 -1.829 1.00 0.00 N ATOM 0 H LYS A 35 11.733 -5.687 1.980 1.00 0.00 H new ATOM 0 HA LYS A 35 11.589 -3.360 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.393 -2.478 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.694 -4.115 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.528 -4.145 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.935 -4.845 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.060 -2.678 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.620 -1.927 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.050 -4.210 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.320 -2.536 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.486 -2.892 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.473 -3.433 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.217 -4.533 -2.155 1.00 0.00 H new ATOM 536 N LEU A 36 9.982 -3.164 0.802 1.00 0.00 N ATOM 537 CA LEU A 36 9.002 -2.345 0.131 1.00 0.00 C ATOM 538 C LEU A 36 7.848 -2.130 1.069 1.00 0.00 C ATOM 539 O LEU A 36 7.483 -0.997 1.368 1.00 0.00 O ATOM 540 CB LEU A 36 8.509 -2.991 -1.172 1.00 0.00 C ATOM 541 CG LEU A 36 9.507 -3.054 -2.320 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.904 -3.802 -3.498 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.900 -1.647 -2.744 1.00 0.00 C ATOM 0 H LEU A 36 10.054 -4.120 0.453 1.00 0.00 H new ATOM 0 HA LEU A 36 9.463 -1.395 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.183 -4.007 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.631 -2.443 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 36 10.397 -3.586 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.627 -3.841 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.647 -4.816 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.005 -3.286 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.614 -1.701 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.013 -1.104 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.355 -1.127 -1.901 1.00 0.00 H new ATOM 555 N VAL A 37 7.345 -3.234 1.598 1.00 0.00 N ATOM 556 CA VAL A 37 6.210 -3.239 2.510 1.00 0.00 C ATOM 557 C VAL A 37 6.394 -2.227 3.650 1.00 0.00 C ATOM 558 O VAL A 37 5.500 -1.423 3.931 1.00 0.00 O ATOM 559 CB VAL A 37 5.973 -4.650 3.121 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.768 -4.603 4.026 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.752 -5.681 2.033 1.00 0.00 C ATOM 0 H VAL A 37 7.717 -4.164 1.404 1.00 0.00 H new ATOM 0 HA VAL A 37 5.340 -2.954 1.918 1.00 0.00 H new ATOM 0 HB VAL A 37 6.857 -4.937 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.598 -5.590 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.941 -3.883 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.892 -4.302 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.589 -6.659 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.879 -5.405 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.629 -5.722 1.387 1.00 0.00 H new ATOM 571 N ARG A 38 7.568 -2.235 4.241 1.00 0.00 N ATOM 572 CA ARG A 38 7.858 -1.381 5.377 1.00 0.00 C ATOM 573 C ARG A 38 7.782 0.106 5.065 1.00 0.00 C ATOM 574 O ARG A 38 7.279 0.875 5.901 1.00 0.00 O ATOM 575 CB ARG A 38 9.194 -1.702 6.005 1.00 0.00 C ATOM 576 CG ARG A 38 9.295 -3.101 6.537 1.00 0.00 C ATOM 577 CD ARG A 38 10.593 -3.309 7.274 1.00 0.00 C ATOM 578 NE ARG A 38 11.779 -2.978 6.460 1.00 0.00 N ATOM 579 CZ ARG A 38 12.933 -3.650 6.498 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.057 -4.716 7.282 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.964 -3.247 5.771 1.00 0.00 N ATOM 0 H ARG A 38 8.346 -2.829 3.952 1.00 0.00 H new ATOM 0 HA ARG A 38 7.065 -1.601 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.979 -1.548 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.380 -1.000 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.458 -3.300 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.222 -3.812 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.595 -2.695 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.659 -4.348 7.596 1.00 0.00 H new ATOM 0 HE ARG A 38 11.713 -2.182 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.271 -5.022 7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.938 -5.228 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.879 -2.421 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.843 -3.763 5.803 1.00 0.00 H new ATOM 595 N GLU A 39 8.247 0.531 3.881 1.00 0.00 N ATOM 596 CA GLU A 39 8.201 1.954 3.575 1.00 0.00 C ATOM 597 C GLU A 39 6.764 2.357 3.328 1.00 0.00 C ATOM 598 O GLU A 39 6.316 3.420 3.760 1.00 0.00 O ATOM 599 CB GLU A 39 9.080 2.379 2.373 1.00 0.00 C ATOM 600 CG GLU A 39 8.551 1.992 0.993 1.00 0.00 C ATOM 601 CD GLU A 39 9.212 2.780 -0.099 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.804 3.937 -0.339 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.166 2.292 -0.720 1.00 0.00 O ATOM 0 H GLU A 39 8.641 -0.065 3.153 1.00 0.00 H new ATOM 0 HA GLU A 39 8.617 2.471 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.205 3.461 2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.070 1.940 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.718 0.928 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.474 2.155 0.958 1.00 0.00 H new ATOM 610 N PHE A 40 6.026 1.466 2.686 1.00 0.00 N ATOM 611 CA PHE A 40 4.657 1.718 2.371 1.00 0.00 C ATOM 612 C PHE A 40 3.809 1.781 3.629 1.00 0.00 C ATOM 613 O PHE A 40 2.906 2.599 3.712 1.00 0.00 O ATOM 614 CB PHE A 40 4.119 0.731 1.341 1.00 0.00 C ATOM 615 CG PHE A 40 4.741 0.871 -0.047 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.543 2.014 -0.811 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.483 -0.159 -0.594 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.080 2.114 -2.092 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.025 -0.064 -1.860 1.00 0.00 C ATOM 620 CZ PHE A 40 5.825 1.066 -2.613 1.00 0.00 C ATOM 0 H PHE A 40 6.370 0.557 2.376 1.00 0.00 H new ATOM 0 HA PHE A 40 4.597 2.700 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.290 -0.283 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.040 0.862 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.967 2.833 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.642 -1.058 -0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.917 3.006 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.608 -0.881 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.245 1.139 -3.605 1.00 0.00 H new ATOM 630 N GLU A 41 4.127 0.941 4.627 1.00 0.00 N ATOM 631 CA GLU A 41 3.486 1.011 5.947 1.00 0.00 C ATOM 632 C GLU A 41 3.665 2.383 6.581 1.00 0.00 C ATOM 633 O GLU A 41 2.807 2.843 7.317 1.00 0.00 O ATOM 634 CB GLU A 41 4.057 -0.021 6.901 1.00 0.00 C ATOM 635 CG GLU A 41 3.582 -1.439 6.710 1.00 0.00 C ATOM 636 CD GLU A 41 4.212 -2.375 7.713 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.449 -2.534 7.701 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.479 -2.926 8.574 1.00 0.00 O ATOM 0 H GLU A 41 4.827 0.204 4.543 1.00 0.00 H new ATOM 0 HA GLU A 41 2.427 0.814 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.143 -0.008 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.819 0.286 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.497 -1.476 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.823 -1.771 5.700 1.00 0.00 H new ATOM 645 N ARG A 42 4.782 3.021 6.299 1.00 0.00 N ATOM 646 CA ARG A 42 5.064 4.333 6.835 1.00 0.00 C ATOM 647 C ARG A 42 4.344 5.394 6.041 1.00 0.00 C ATOM 648 O ARG A 42 3.743 6.298 6.609 1.00 0.00 O ATOM 649 CB ARG A 42 6.563 4.600 6.821 1.00 0.00 C ATOM 650 CG ARG A 42 6.949 5.978 7.334 1.00 0.00 C ATOM 651 CD ARG A 42 6.422 6.222 8.740 1.00 0.00 C ATOM 652 NE ARG A 42 6.566 7.610 9.150 1.00 0.00 N ATOM 653 CZ ARG A 42 5.839 8.201 10.104 1.00 0.00 C ATOM 654 NH1 ARG A 42 4.928 7.494 10.785 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.014 9.493 10.369 1.00 0.00 N ATOM 0 H ARG A 42 5.514 2.647 5.696 1.00 0.00 H new ATOM 0 HA ARG A 42 4.710 4.366 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.062 3.844 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.933 4.486 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.034 6.077 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.557 6.740 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.370 5.939 8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.955 5.581 9.442 1.00 0.00 H new ATOM 0 HE ARG A 42 7.272 8.173 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.789 6.505 10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.373 7.944 11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.703 10.032 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.460 9.944 11.097 1.00 0.00 H new ATOM 669 N LEU A 43 4.417 5.274 4.743 1.00 0.00 N ATOM 670 CA LEU A 43 3.753 6.208 3.819 1.00 0.00 C ATOM 671 C LEU A 43 2.243 6.283 4.084 1.00 0.00 C ATOM 672 O LEU A 43 1.617 7.330 3.953 1.00 0.00 O ATOM 673 CB LEU A 43 4.012 5.799 2.361 1.00 0.00 C ATOM 674 CG LEU A 43 5.470 5.839 1.883 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.571 5.346 0.454 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.040 7.248 1.993 1.00 0.00 C ATOM 0 H LEU A 43 4.936 4.530 4.276 1.00 0.00 H new ATOM 0 HA LEU A 43 4.176 7.198 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.635 4.786 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.424 6.451 1.715 1.00 0.00 H new ATOM 0 HG LEU A 43 6.055 5.181 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.611 5.381 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.207 4.320 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.968 5.982 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.074 7.250 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.451 7.928 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.003 7.575 3.032 1.00 0.00 H new ATOM 688 N THR A 44 1.688 5.176 4.474 1.00 0.00 N ATOM 689 CA THR A 44 0.279 5.074 4.747 1.00 0.00 C ATOM 690 C THR A 44 -0.022 5.321 6.208 1.00 0.00 C ATOM 691 O THR A 44 -1.150 5.688 6.567 1.00 0.00 O ATOM 692 CB THR A 44 -0.186 3.661 4.380 1.00 0.00 C ATOM 693 OG1 THR A 44 0.638 2.701 5.057 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.040 3.458 2.908 1.00 0.00 C ATOM 0 H THR A 44 2.202 4.306 4.614 1.00 0.00 H new ATOM 0 HA THR A 44 -0.244 5.828 4.158 1.00 0.00 H new ATOM 0 HB THR A 44 -1.228 3.536 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.299 2.338 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.370 2.453 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.648 4.191 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.005 3.582 2.626 1.00 0.00 H new ATOM 702 N GLU A 45 1.016 5.126 7.047 1.00 0.00 N ATOM 703 CA GLU A 45 0.890 5.086 8.501 1.00 0.00 C ATOM 704 C GLU A 45 -0.091 3.985 8.877 1.00 0.00 C ATOM 705 O GLU A 45 -0.686 3.992 9.961 1.00 0.00 O ATOM 706 CB GLU A 45 0.467 6.440 9.087 1.00 0.00 C ATOM 707 CG GLU A 45 1.535 7.512 9.014 1.00 0.00 C ATOM 708 CD GLU A 45 1.104 8.810 9.654 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.803 8.821 10.871 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.052 9.858 8.953 1.00 0.00 O ATOM 0 H GLU A 45 1.973 4.991 6.720 1.00 0.00 H new ATOM 0 HA GLU A 45 1.867 4.868 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.420 6.790 8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.182 6.298 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.439 7.152 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.790 7.694 7.970 1.00 0.00 H new ATOM 717 N HIS A 46 -0.197 2.995 7.992 1.00 0.00 N ATOM 718 CA HIS A 46 -1.160 1.969 8.140 1.00 0.00 C ATOM 719 C HIS A 46 -0.603 0.821 8.992 1.00 0.00 C ATOM 720 O HIS A 46 0.418 0.221 8.661 1.00 0.00 O ATOM 721 CB HIS A 46 -1.688 1.469 6.770 1.00 0.00 C ATOM 722 CG HIS A 46 -2.932 0.651 6.904 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.969 -0.558 7.530 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.212 0.986 6.673 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.239 -0.894 7.706 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.040 0.002 7.188 1.00 0.00 N ATOM 0 H HIS A 46 0.392 2.905 7.164 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.016 2.390 8.667 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.887 2.325 6.126 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.916 0.875 6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.543 1.880 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.569 -1.790 8.211 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.060 -0.020 7.168 1.00 0.00 H new ATOM 734 N PRO A 47 -1.330 0.484 10.061 1.00 0.00 N ATOM 735 CA PRO A 47 -0.940 -0.512 11.052 1.00 0.00 C ATOM 736 C PRO A 47 -0.757 -1.877 10.470 1.00 0.00 C ATOM 737 O PRO A 47 0.272 -2.507 10.629 1.00 0.00 O ATOM 738 CB PRO A 47 -2.140 -0.532 12.000 1.00 0.00 C ATOM 739 CG PRO A 47 -3.240 0.138 11.310 1.00 0.00 C ATOM 740 CD PRO A 47 -2.618 1.072 10.377 1.00 0.00 C ATOM 0 HA PRO A 47 0.015 -0.262 11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.412 -1.556 12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.903 -0.022 12.934 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.866 -0.582 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.883 0.662 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.225 1.198 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.502 2.059 10.825 1.00 0.00 H new ATOM 748 N ASP A 48 -1.731 -2.280 9.724 1.00 0.00 N ATOM 749 CA ASP A 48 -1.799 -3.588 9.196 1.00 0.00 C ATOM 750 C ASP A 48 -1.225 -3.583 7.827 1.00 0.00 C ATOM 751 O ASP A 48 -1.472 -4.488 7.069 1.00 0.00 O ATOM 752 CB ASP A 48 -3.246 -4.085 9.102 1.00 0.00 C ATOM 753 CG ASP A 48 -3.994 -4.038 10.400 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.929 -5.008 11.183 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.661 -3.029 10.663 1.00 0.00 O ATOM 0 H ASP A 48 -2.519 -1.688 9.462 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.243 -4.249 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.779 -3.483 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.243 -5.111 8.733 1.00 0.00 H new ATOM 760 N GLY A 49 -0.441 -2.537 7.508 1.00 0.00 N ATOM 761 CA GLY A 49 0.161 -2.405 6.160 1.00 0.00 C ATOM 762 C GLY A 49 0.886 -3.627 5.707 1.00 0.00 C ATOM 763 O GLY A 49 0.889 -3.944 4.532 1.00 0.00 O ATOM 0 H GLY A 49 -0.209 -1.780 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.625 -2.172 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.852 -1.562 6.161 1.00 0.00 H new ATOM 767 N SER A 50 1.450 -4.340 6.626 1.00 0.00 N ATOM 768 CA SER A 50 2.106 -5.570 6.268 1.00 0.00 C ATOM 769 C SER A 50 1.102 -6.725 6.175 1.00 0.00 C ATOM 770 O SER A 50 1.070 -7.456 5.178 1.00 0.00 O ATOM 771 CB SER A 50 3.294 -5.861 7.184 1.00 0.00 C ATOM 772 OG SER A 50 2.983 -5.553 8.531 1.00 0.00 O ATOM 0 H SER A 50 1.474 -4.104 7.618 1.00 0.00 H new ATOM 0 HA SER A 50 2.528 -5.457 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.572 -6.912 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.157 -5.277 6.863 1.00 0.00 H new ATOM 0 HG SER A 50 3.399 -4.700 8.776 1.00 0.00 H new ATOM 778 N ASP A 51 0.220 -6.826 7.170 1.00 0.00 N ATOM 779 CA ASP A 51 -0.799 -7.887 7.207 1.00 0.00 C ATOM 780 C ASP A 51 -1.707 -7.851 6.010 1.00 0.00 C ATOM 781 O ASP A 51 -2.120 -8.876 5.552 1.00 0.00 O ATOM 782 CB ASP A 51 -1.647 -7.880 8.488 1.00 0.00 C ATOM 783 CG ASP A 51 -0.941 -8.459 9.684 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.756 -9.689 9.745 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.547 -7.700 10.585 1.00 0.00 O ATOM 0 H ASP A 51 0.187 -6.187 7.964 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.226 -8.814 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.942 -6.855 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.563 -8.443 8.310 1.00 0.00 H new ATOM 790 N LEU A 52 -1.995 -6.661 5.498 1.00 0.00 N ATOM 791 CA LEU A 52 -2.867 -6.494 4.320 1.00 0.00 C ATOM 792 C LEU A 52 -2.330 -7.252 3.126 1.00 0.00 C ATOM 793 O LEU A 52 -3.075 -7.879 2.381 1.00 0.00 O ATOM 794 CB LEU A 52 -2.973 -5.020 3.902 1.00 0.00 C ATOM 795 CG LEU A 52 -3.522 -4.030 4.911 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.542 -2.661 4.287 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.915 -4.429 5.383 1.00 0.00 C ATOM 0 H LEU A 52 -1.638 -5.784 5.877 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.844 -6.879 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.978 -4.683 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.599 -4.970 3.011 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.877 -4.025 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.935 -1.940 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.529 -2.375 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.176 -2.674 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.278 -3.698 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.592 -4.463 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.873 -5.412 5.852 1.00 0.00 H new ATOM 809 N ILE A 53 -1.031 -7.209 2.989 1.00 0.00 N ATOM 810 CA ILE A 53 -0.357 -7.736 1.827 1.00 0.00 C ATOM 811 C ILE A 53 -0.157 -9.219 1.955 1.00 0.00 C ATOM 812 O ILE A 53 -0.336 -9.986 0.995 1.00 0.00 O ATOM 813 CB ILE A 53 1.005 -7.048 1.688 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.800 -5.545 1.554 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.798 -7.603 0.516 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.072 -4.771 1.567 1.00 0.00 C ATOM 0 H ILE A 53 -0.404 -6.805 3.685 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.969 -7.545 0.945 1.00 0.00 H new ATOM 0 HB ILE A 53 1.591 -7.250 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.268 -5.340 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.164 -5.198 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.757 -7.090 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.966 -8.670 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.240 -7.448 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.852 -3.708 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.595 -4.947 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.701 -5.091 0.736 1.00 0.00 H new ATOM 828 N TYR A 54 0.202 -9.614 3.128 1.00 0.00 N ATOM 829 CA TYR A 54 0.501 -10.977 3.401 1.00 0.00 C ATOM 830 C TYR A 54 -0.754 -11.810 3.630 1.00 0.00 C ATOM 831 O TYR A 54 -0.799 -12.985 3.270 1.00 0.00 O ATOM 832 CB TYR A 54 1.466 -11.060 4.575 1.00 0.00 C ATOM 833 CG TYR A 54 2.884 -10.610 4.246 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.252 -9.281 4.345 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.849 -11.520 3.837 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.525 -8.865 4.051 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.138 -11.111 3.543 1.00 0.00 C ATOM 838 CZ TYR A 54 5.467 -9.779 3.650 1.00 0.00 C ATOM 839 OH TYR A 54 6.758 -9.356 3.378 1.00 0.00 O ATOM 0 H TYR A 54 0.297 -8.994 3.932 1.00 0.00 H new ATOM 0 HA TYR A 54 0.982 -11.407 2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.082 -10.448 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.497 -12.089 4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.519 -8.553 4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.590 -12.565 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.786 -7.820 4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.880 -11.832 3.232 1.00 0.00 H new ATOM 0 HH TYR A 54 6.939 -9.454 2.420 1.00 0.00 H new ATOM 849 N TYR A 55 -1.772 -11.208 4.194 1.00 0.00 N ATOM 850 CA TYR A 55 -2.998 -11.912 4.495 1.00 0.00 C ATOM 851 C TYR A 55 -4.204 -11.053 4.126 1.00 0.00 C ATOM 852 O TYR A 55 -4.494 -10.081 4.816 1.00 0.00 O ATOM 853 CB TYR A 55 -3.104 -12.212 6.007 1.00 0.00 C ATOM 854 CG TYR A 55 -1.950 -12.963 6.623 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.915 -14.347 6.621 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.901 -12.280 7.224 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.865 -15.032 7.198 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.145 -12.954 7.803 1.00 0.00 C ATOM 859 CZ TYR A 55 0.161 -14.329 7.788 1.00 0.00 C ATOM 860 OH TYR A 55 1.203 -15.002 8.380 1.00 0.00 O ATOM 0 H TYR A 55 -1.777 -10.222 4.457 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.986 -12.839 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.218 -11.266 6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.015 -12.785 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.721 -14.899 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.908 -11.200 7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.848 -16.112 7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.952 -12.407 8.268 1.00 0.00 H new ATOM 0 HH TYR A 55 1.842 -14.357 8.748 1.00 0.00 H new ATOM 870 N PRO A 56 -4.908 -11.347 3.029 1.00 0.00 N ATOM 871 CA PRO A 56 -6.155 -10.667 2.742 1.00 0.00 C ATOM 872 C PRO A 56 -7.183 -11.149 3.768 1.00 0.00 C ATOM 873 O PRO A 56 -7.675 -12.285 3.652 1.00 0.00 O ATOM 874 CB PRO A 56 -6.515 -11.116 1.321 1.00 0.00 C ATOM 875 CG PRO A 56 -5.781 -12.408 1.129 1.00 0.00 C ATOM 876 CD PRO A 56 -4.552 -12.338 1.998 1.00 0.00 C ATOM 0 HA PRO A 56 -6.109 -9.580 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.591 -11.252 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.210 -10.374 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.407 -13.255 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.508 -12.547 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.317 -13.307 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.676 -12.026 1.429 1.00 0.00 H new ATOM 884 N ARG A 57 -7.501 -10.253 4.738 1.00 0.00 N ATOM 885 CA ARG A 57 -8.226 -10.541 6.016 1.00 0.00 C ATOM 886 C ARG A 57 -8.901 -11.898 6.082 1.00 0.00 C ATOM 887 O ARG A 57 -8.228 -12.916 6.258 1.00 0.00 O ATOM 888 CB ARG A 57 -9.210 -9.432 6.390 1.00 0.00 C ATOM 889 CG ARG A 57 -8.604 -8.061 6.520 1.00 0.00 C ATOM 890 CD ARG A 57 -9.620 -7.083 7.054 1.00 0.00 C ATOM 891 NE ARG A 57 -9.162 -5.713 6.939 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.800 -4.923 7.948 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.756 -5.387 9.195 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.466 -3.673 7.701 1.00 0.00 N ATOM 0 H ARG A 57 -7.252 -9.268 4.653 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.430 -10.571 6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.996 -9.395 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.686 -9.693 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.742 -8.100 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.241 -7.724 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.557 -7.200 6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.828 -7.310 8.100 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.112 -5.318 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.001 -6.358 9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.477 -4.771 9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.486 -3.319 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.187 -3.059 8.466 1.00 0.00 H new ATOM 908 N ASP A 58 -10.185 -11.931 5.996 1.00 0.00 N ATOM 909 CA ASP A 58 -10.872 -13.201 5.929 1.00 0.00 C ATOM 910 C ASP A 58 -11.669 -13.289 4.659 1.00 0.00 C ATOM 911 O ASP A 58 -11.352 -14.064 3.758 1.00 0.00 O ATOM 912 CB ASP A 58 -11.751 -13.441 7.145 1.00 0.00 C ATOM 913 CG ASP A 58 -12.418 -14.792 7.100 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.749 -15.810 7.397 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.629 -14.861 6.788 1.00 0.00 O ATOM 0 H ASP A 58 -10.788 -11.109 5.970 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.118 -13.988 5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.148 -13.364 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.512 -12.662 7.202 1.00 0.00 H new ATOM 920 N ASP A 59 -12.664 -12.438 4.574 1.00 0.00 N ATOM 921 CA ASP A 59 -13.564 -12.360 3.426 1.00 0.00 C ATOM 922 C ASP A 59 -13.073 -11.280 2.464 1.00 0.00 C ATOM 923 O ASP A 59 -13.624 -11.071 1.387 1.00 0.00 O ATOM 924 CB ASP A 59 -14.991 -12.060 3.933 1.00 0.00 C ATOM 925 CG ASP A 59 -16.030 -11.872 2.842 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.364 -12.840 2.127 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.583 -10.755 2.729 1.00 0.00 O ATOM 0 H ASP A 59 -12.883 -11.765 5.308 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.579 -13.306 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.310 -12.876 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.961 -11.159 4.546 1.00 0.00 H new ATOM 932 N ARG A 60 -12.010 -10.602 2.870 1.00 0.00 N ATOM 933 CA ARG A 60 -11.407 -9.586 2.090 1.00 0.00 C ATOM 934 C ARG A 60 -10.814 -10.163 0.825 1.00 0.00 C ATOM 935 O ARG A 60 -10.052 -11.140 0.850 1.00 0.00 O ATOM 936 CB ARG A 60 -10.364 -8.864 2.908 1.00 0.00 C ATOM 937 CG ARG A 60 -9.480 -7.908 2.140 1.00 0.00 C ATOM 938 CD ARG A 60 -10.255 -6.769 1.466 1.00 0.00 C ATOM 939 NE ARG A 60 -10.885 -5.858 2.427 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.079 -5.243 2.294 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.945 -5.608 1.354 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.394 -4.265 3.124 1.00 0.00 N ATOM 0 H ARG A 60 -11.552 -10.761 3.767 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.169 -8.866 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.868 -8.309 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.731 -9.606 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.741 -7.483 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.931 -8.464 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.576 -6.203 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.023 -7.193 0.818 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.367 -5.670 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.713 -6.368 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.842 -5.128 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.738 -3.984 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.293 -3.791 3.036 1.00 0.00 H new ATOM 956 N GLU A 61 -11.196 -9.547 -0.238 1.00 0.00 N ATOM 957 CA GLU A 61 -10.806 -9.884 -1.585 1.00 0.00 C ATOM 958 C GLU A 61 -9.296 -9.814 -1.738 1.00 0.00 C ATOM 959 O GLU A 61 -8.661 -8.811 -1.366 1.00 0.00 O ATOM 960 CB GLU A 61 -11.463 -8.899 -2.554 1.00 0.00 C ATOM 961 CG GLU A 61 -11.269 -9.222 -4.026 1.00 0.00 C ATOM 962 CD GLU A 61 -11.944 -10.506 -4.430 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.137 -10.478 -4.794 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.304 -11.562 -4.392 1.00 0.00 O ATOM 0 H GLU A 61 -11.826 -8.746 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.130 -10.901 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.532 -8.863 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.066 -7.902 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.662 -8.404 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.203 -9.293 -4.241 1.00 0.00 H new ATOM 971 N ASP A 62 -8.741 -10.860 -2.273 1.00 0.00 N ATOM 972 CA ASP A 62 -7.325 -10.935 -2.525 1.00 0.00 C ATOM 973 C ASP A 62 -7.026 -10.296 -3.860 1.00 0.00 C ATOM 974 O ASP A 62 -7.009 -10.960 -4.891 1.00 0.00 O ATOM 975 CB ASP A 62 -6.843 -12.403 -2.486 1.00 0.00 C ATOM 976 CG ASP A 62 -5.379 -12.611 -2.866 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.495 -12.458 -2.006 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.098 -13.026 -4.027 1.00 0.00 O ATOM 0 H ASP A 62 -9.258 -11.694 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.786 -10.395 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.001 -12.795 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.465 -12.992 -3.160 1.00 0.00 H new ATOM 983 N SER A 63 -6.929 -8.995 -3.873 1.00 0.00 N ATOM 984 CA SER A 63 -6.582 -8.318 -5.069 1.00 0.00 C ATOM 985 C SER A 63 -5.667 -7.156 -4.733 1.00 0.00 C ATOM 986 O SER A 63 -5.688 -6.672 -3.587 1.00 0.00 O ATOM 987 CB SER A 63 -7.864 -7.839 -5.771 1.00 0.00 C ATOM 988 OG SER A 63 -8.628 -6.986 -4.928 1.00 0.00 O ATOM 0 H SER A 63 -7.087 -8.393 -3.065 1.00 0.00 H new ATOM 0 HA SER A 63 -6.053 -8.987 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.603 -7.309 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.466 -8.700 -6.061 1.00 0.00 H new ATOM 0 HG SER A 63 -9.436 -6.696 -5.401 1.00 0.00 H new ATOM 994 N PRO A 64 -4.828 -6.690 -5.696 1.00 0.00 N ATOM 995 CA PRO A 64 -3.986 -5.509 -5.489 1.00 0.00 C ATOM 996 C PRO A 64 -4.891 -4.290 -5.181 1.00 0.00 C ATOM 997 O PRO A 64 -4.539 -3.409 -4.407 1.00 0.00 O ATOM 998 CB PRO A 64 -3.221 -5.365 -6.851 1.00 0.00 C ATOM 999 CG PRO A 64 -3.304 -6.716 -7.467 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.619 -7.291 -7.035 1.00 0.00 C ATOM 0 HA PRO A 64 -3.292 -5.584 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.682 -4.609 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.186 -5.062 -6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.245 -6.653 -8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.477 -7.345 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.420 -7.026 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.586 -8.379 -6.987 1.00 0.00 H new ATOM 1008 N GLU A 65 -6.097 -4.324 -5.743 1.00 0.00 N ATOM 1009 CA GLU A 65 -7.120 -3.313 -5.521 1.00 0.00 C ATOM 1010 C GLU A 65 -7.624 -3.378 -4.080 1.00 0.00 C ATOM 1011 O GLU A 65 -7.747 -2.358 -3.414 1.00 0.00 O ATOM 1012 CB GLU A 65 -8.298 -3.559 -6.455 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.940 -3.575 -7.922 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.117 -3.910 -8.789 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.911 -3.010 -9.101 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.273 -5.093 -9.171 1.00 0.00 O ATOM 0 H GLU A 65 -6.393 -5.068 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.684 -2.333 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.758 -4.512 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.048 -2.786 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.546 -2.600 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.146 -4.303 -8.093 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.903 -4.594 -3.614 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.437 -4.814 -2.283 1.00 0.00 C ATOM 1025 C GLY A 66 -7.520 -4.342 -1.189 1.00 0.00 C ATOM 1026 O GLY A 66 -7.961 -3.738 -0.211 1.00 0.00 O ATOM 0 H GLY A 66 -7.763 -5.449 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.394 -4.299 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.634 -5.878 -2.149 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.251 -4.597 -1.364 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.244 -4.189 -0.406 1.00 0.00 C ATOM 1032 C ILE A 67 -5.129 -2.657 -0.371 1.00 0.00 C ATOM 1033 O ILE A 67 -5.014 -2.047 0.703 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.899 -4.870 -0.736 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.072 -6.394 -0.584 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.769 -4.349 0.161 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.886 -7.217 -1.020 1.00 0.00 C ATOM 0 H ILE A 67 -5.880 -5.094 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.538 -4.510 0.593 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.617 -4.632 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.286 -6.618 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.943 -6.705 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.837 -4.851 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.656 -3.275 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.010 -4.551 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.104 -8.275 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.681 -7.030 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.014 -6.942 -0.427 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.215 -2.040 -1.542 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.231 -0.588 -1.641 1.00 0.00 C ATOM 1051 C VAL A 68 -6.474 -0.029 -0.978 1.00 0.00 C ATOM 1052 O VAL A 68 -6.398 0.934 -0.219 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.153 -0.110 -3.113 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.409 1.394 -3.240 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.799 -0.409 -3.640 1.00 0.00 C ATOM 0 H VAL A 68 -5.275 -2.524 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.347 -0.215 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.923 -0.633 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.345 1.687 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.403 1.627 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.662 1.940 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.730 -0.077 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.052 0.113 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.618 -1.483 -3.590 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.596 -0.682 -1.228 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.897 -0.284 -0.721 1.00 0.00 C ATOM 1067 C LYS A 69 -8.886 -0.147 0.793 1.00 0.00 C ATOM 1068 O LYS A 69 -9.493 0.775 1.346 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.913 -1.319 -1.115 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.322 -0.844 -0.936 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.048 -0.794 -2.267 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.477 0.304 -3.177 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.235 0.436 -4.433 1.00 0.00 N ATOM 0 H LYS A 69 -7.628 -1.524 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.150 0.686 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.757 -1.597 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.759 -2.219 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.851 -1.509 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.321 0.146 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.965 -1.760 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.109 -0.613 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.488 1.256 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.435 0.079 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.814 1.188 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.203 -0.464 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.224 0.677 -4.218 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.196 -1.053 1.449 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.068 -1.041 2.895 1.00 0.00 C ATOM 1089 C GLU A 70 -7.414 0.234 3.370 1.00 0.00 C ATOM 1090 O GLU A 70 -7.981 0.962 4.178 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.287 -2.259 3.356 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.994 -3.559 3.082 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.239 -3.746 3.919 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.088 -2.838 3.994 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.424 -4.831 4.475 1.00 0.00 O ATOM 0 H GLU A 70 -7.705 -1.823 0.996 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.065 -1.081 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.317 -2.269 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.096 -2.176 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.263 -3.604 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.309 -4.385 3.272 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.263 0.518 2.814 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.493 1.704 3.131 1.00 0.00 C ATOM 1104 C ILE A 71 -6.238 2.976 2.748 1.00 0.00 C ATOM 1105 O ILE A 71 -6.256 3.965 3.492 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.147 1.624 2.399 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.306 0.596 3.109 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.439 2.975 2.358 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.151 0.099 2.332 1.00 0.00 C ATOM 0 H ILE A 71 -5.822 -0.078 2.113 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.330 1.744 4.208 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.311 1.337 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.941 1.026 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.939 -0.251 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.490 2.873 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.067 3.699 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.253 3.320 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.605 -0.636 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.504 -0.365 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.491 0.932 2.088 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.857 2.926 1.609 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.570 4.011 1.048 1.00 0.00 C ATOM 1123 C LYS A 72 -8.744 4.412 1.964 1.00 0.00 C ATOM 1124 O LYS A 72 -8.780 5.549 2.456 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.002 3.563 -0.365 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.662 4.564 -1.291 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.005 4.964 -0.821 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.815 5.454 -1.951 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.158 5.872 -1.517 1.00 0.00 N ATOM 0 H LYS A 72 -6.874 2.088 1.027 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.963 4.912 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.116 3.182 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.688 2.724 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.031 5.449 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.742 4.134 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.501 4.115 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.916 5.742 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.308 6.294 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.903 4.670 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.693 6.226 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.657 5.059 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.074 6.626 -0.806 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.649 3.472 2.243 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.836 3.777 3.044 1.00 0.00 C ATOM 1145 C GLU A 73 -10.473 4.156 4.470 1.00 0.00 C ATOM 1146 O GLU A 73 -11.111 5.020 5.075 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.809 2.606 3.054 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.373 2.259 1.690 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.101 3.411 1.055 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.948 4.039 1.713 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.825 3.727 -0.113 1.00 0.00 O ATOM 0 H GLU A 73 -9.585 2.503 1.930 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.319 4.634 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.303 1.730 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.634 2.838 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.561 1.942 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.053 1.413 1.787 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.436 3.530 4.976 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.970 3.746 6.326 1.00 0.00 C ATOM 1160 C TRP A 74 -8.457 5.170 6.486 1.00 0.00 C ATOM 1161 O TRP A 74 -8.951 5.921 7.322 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.862 2.754 6.602 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.349 2.680 7.996 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.912 2.016 9.039 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.137 3.240 8.484 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.102 2.100 10.136 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.012 2.851 9.827 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.142 4.027 7.911 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.928 3.211 10.601 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.068 4.395 8.674 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.963 3.983 10.006 1.00 0.00 C ATOM 0 H TRP A 74 -8.885 2.848 4.455 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.787 3.604 7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.217 1.763 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.025 2.991 5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.859 1.498 9.006 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.286 1.668 11.042 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.217 4.342 6.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.843 2.898 11.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.292 5.011 8.243 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.099 4.281 10.582 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.523 5.572 5.629 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.913 6.889 5.753 1.00 0.00 C ATOM 1184 C ARG A 75 -7.920 7.986 5.523 1.00 0.00 C ATOM 1185 O ARG A 75 -7.886 9.018 6.195 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.760 7.058 4.803 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.617 6.106 5.041 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.523 6.372 4.058 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.061 6.421 2.693 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.697 7.311 1.758 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.660 8.116 1.957 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.389 7.418 0.643 1.00 0.00 N ATOM 0 H ARG A 75 -7.176 5.011 4.851 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.537 6.964 6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.122 6.925 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.388 8.080 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.241 6.222 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.963 5.077 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.033 7.316 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.765 5.592 4.129 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.763 5.727 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.132 8.061 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.392 8.789 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.203 6.823 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.111 8.095 -0.067 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.840 7.732 4.615 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.882 8.677 4.272 1.00 0.00 C ATOM 1208 C ALA A 76 -10.833 8.911 5.455 1.00 0.00 C ATOM 1209 O ALA A 76 -11.367 10.002 5.630 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.648 8.187 3.047 1.00 0.00 C ATOM 0 H ALA A 76 -8.886 6.858 4.091 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.415 9.633 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.430 8.904 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.963 8.088 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.099 7.219 3.263 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.013 7.889 6.282 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.900 7.974 7.430 1.00 0.00 C ATOM 1218 C ALA A 77 -11.158 8.608 8.578 1.00 0.00 C ATOM 1219 O ALA A 77 -11.708 9.356 9.385 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.398 6.587 7.819 1.00 0.00 C ATOM 0 H ALA A 77 -10.551 6.986 6.176 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.766 8.585 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.061 6.667 8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.941 6.148 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.548 5.953 8.073 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.880 8.314 8.613 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.980 8.758 9.649 1.00 0.00 C ATOM 1228 C ASN A 78 -8.589 10.215 9.511 1.00 0.00 C ATOM 1229 O ASN A 78 -7.996 10.789 10.427 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.722 7.895 9.655 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.875 6.514 10.292 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.903 5.959 10.791 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.059 5.971 10.300 1.00 0.00 N ATOM 0 H ASN A 78 -9.425 7.743 7.901 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.517 8.655 10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.386 7.766 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.935 8.434 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.198 5.057 10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.847 6.460 9.876 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.895 10.809 8.382 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.528 12.189 8.167 1.00 0.00 C ATOM 1242 C GLY A 79 -7.062 12.306 7.845 1.00 0.00 C ATOM 1243 O GLY A 79 -6.410 13.306 8.154 1.00 0.00 O ATOM 0 H GLY A 79 -9.390 10.366 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.119 12.605 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.758 12.774 9.057 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.549 11.281 7.233 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.183 11.205 6.860 1.00 0.00 C ATOM 1249 C LYS A 80 -5.012 11.666 5.434 1.00 0.00 C ATOM 1250 O LYS A 80 -5.991 12.092 4.797 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.707 9.785 7.037 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.550 9.393 8.487 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.019 7.994 8.619 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.608 7.669 10.059 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.726 7.685 11.033 1.00 0.00 N ATOM 0 H LYS A 80 -7.091 10.456 6.976 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.584 11.858 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.414 9.108 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.752 9.661 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.874 10.089 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.513 9.468 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.779 7.285 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.160 7.869 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.140 6.685 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.853 8.387 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.370 7.423 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.139 8.639 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.455 7.005 10.736 1.00 0.00 H new ATOM 1269 N SER A 81 -3.800 11.596 4.936 1.00 0.00 N ATOM 1270 CA SER A 81 -3.489 11.985 3.612 1.00 0.00 C ATOM 1271 C SER A 81 -4.200 11.088 2.591 1.00 0.00 C ATOM 1272 O SER A 81 -4.706 10.010 2.934 1.00 0.00 O ATOM 1273 CB SER A 81 -1.999 11.872 3.461 1.00 0.00 C ATOM 1274 OG SER A 81 -1.338 12.649 4.452 1.00 0.00 O ATOM 0 H SER A 81 -2.996 11.257 5.465 1.00 0.00 H new ATOM 0 HA SER A 81 -3.826 13.005 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.697 10.828 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.702 12.209 2.468 1.00 0.00 H new ATOM 0 HG SER A 81 -0.368 12.564 4.341 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.243 11.537 1.370 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.855 10.774 0.330 1.00 0.00 C ATOM 1282 C GLY A 82 -3.814 10.349 -0.656 1.00 0.00 C ATOM 1283 O GLY A 82 -2.672 10.047 -0.269 1.00 0.00 O ATOM 0 H GLY A 82 -3.858 12.434 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.352 9.899 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.622 11.367 -0.168 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.196 10.253 -1.879 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.306 10.008 -2.951 1.00 0.00 C ATOM 1289 C PHE A 83 -3.286 11.256 -3.807 1.00 0.00 C ATOM 1290 O PHE A 83 -3.992 12.229 -3.506 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.789 8.822 -3.788 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.920 7.528 -3.027 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.798 6.914 -2.514 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.161 6.925 -2.822 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.897 5.735 -1.817 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.260 5.735 -2.123 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.123 5.140 -1.621 1.00 0.00 C ATOM 0 H PHE A 83 -5.170 10.346 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.312 9.771 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.757 9.072 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.096 8.673 -4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.828 7.366 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.053 7.392 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.006 5.271 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.225 5.274 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.193 4.210 -1.076 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.490 11.260 -4.822 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.459 12.344 -5.738 1.00 0.00 C ATOM 1309 C LYS A 84 -3.469 12.100 -6.822 1.00 0.00 C ATOM 1310 O LYS A 84 -3.490 11.035 -7.436 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.064 12.485 -6.310 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.886 13.599 -7.328 1.00 0.00 C ATOM 1313 CD LYS A 84 0.586 13.827 -7.645 1.00 0.00 C ATOM 1314 CE LYS A 84 1.237 12.624 -8.317 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.667 12.865 -8.626 1.00 0.00 N ATOM 0 H LYS A 84 -1.839 10.505 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.712 13.275 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.368 12.652 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.784 11.541 -6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.423 13.348 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.325 14.520 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.683 14.697 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.121 14.056 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.149 11.754 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.702 12.390 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.117 11.971 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.743 13.551 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.145 13.243 -7.783 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.306 13.054 -7.037 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.317 12.939 -8.051 1.00 0.00 C ATOM 1331 C GLN A 85 -4.921 13.703 -9.295 1.00 0.00 C ATOM 1332 O GLN A 85 -4.962 14.934 -9.342 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.747 13.301 -7.554 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.946 14.687 -6.925 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.282 14.876 -5.566 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.181 13.829 -4.788 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -5.877 15.976 -5.222 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.317 13.935 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.378 11.883 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.430 13.213 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.049 12.552 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.558 15.440 -7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.015 14.872 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.970 16.773 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.446 16.097 -4.306 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.478 12.970 -10.266 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.059 13.517 -11.505 1.00 0.00 C ATOM 1348 C GLY A 86 -3.213 12.510 -12.200 1.00 0.00 C ATOM 1349 O GLY A 86 -2.329 12.888 -12.995 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.393 11.310 -11.919 1.00 0.00 O ATOM 0 H GLY A 86 -4.398 11.955 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.923 13.774 -12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.498 14.437 -11.343 1.00 0.00 H new TER 1354 GLY A 86