USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1005 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 103 LYS NZ :NH3+ -163:sc= 1.22 (180deg=-0.00388) USER MOD Set 1.2: A 107 GLN : amide:sc= 1.09 K(o=2.3,f=-4.7!) USER MOD Set 2.1: A 46 THR OG1 : rot 87:sc= 2.05 USER MOD Set 2.2: A 81 TYR OH : rot -11:sc= 0.924 USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= 0.11 F(o=-0.027,f=0.82) USER MOD Set 3.2: A 77 SER OG : rot 53:sc= 0.705 USER MOD Set 4.1: A 4 ASN : amide:sc= 1.21 K(o=2,f=-1.5!) USER MOD Set 4.2: A 5 HIS : no HE2:sc= 0.774 K(o=2,f=-4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 87:sc= 1.34 USER MOD Single : A 13 THR OG1 : rot 75:sc= 1 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 102:sc= 1.19 USER MOD Single : A 23 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.36) USER MOD Single : A 28 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.57) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.683 F(o=-1.4,f=-0.68) USER MOD Single : A 42 SER OG : rot 68:sc= 1.19 USER MOD Single : A 44 SER OG : rot 72:sc= 0.853 USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.912) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= 2.04 (180deg=0.947) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00655 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 67 SER OG : rot -165:sc= 0.357 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 2.37 (180deg=2.16) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.63 K(o=1.6,f=-3.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -62:sc= 1.31 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= 1.21 (180deg=0.876) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 SER OG : rot 79:sc= 1.23 USER MOD Single : A 136 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.960 9.921 4.922 1.00 0.00 N ATOM 53 CA ASN A 4 5.461 9.200 6.088 1.00 0.00 C ATOM 54 C ASN A 4 6.656 8.869 6.986 1.00 0.00 C ATOM 55 O ASN A 4 7.792 9.163 6.616 1.00 0.00 O ATOM 56 CB ASN A 4 4.732 7.912 5.651 1.00 0.00 C ATOM 57 CG ASN A 4 5.691 6.791 5.260 1.00 0.00 C ATOM 58 OD1 ASN A 4 6.144 6.032 6.112 1.00 0.00 O ATOM 59 ND2 ASN A 4 6.047 6.683 3.993 1.00 0.00 N ATOM 0 HA ASN A 4 4.745 9.813 6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.092 7.569 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.081 8.138 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.708 5.960 3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.661 7.322 3.298 1.00 0.00 H new ATOM 66 N HIS A 5 6.417 8.227 8.132 1.00 0.00 N ATOM 67 CA HIS A 5 7.435 7.955 9.144 1.00 0.00 C ATOM 68 C HIS A 5 8.726 7.307 8.616 1.00 0.00 C ATOM 69 O HIS A 5 9.801 7.661 9.098 1.00 0.00 O ATOM 70 CB HIS A 5 6.826 7.145 10.302 1.00 0.00 C ATOM 71 CG HIS A 5 6.451 5.701 10.022 1.00 0.00 C ATOM 72 ND1 HIS A 5 5.987 5.147 8.843 1.00 0.00 N ATOM 73 CD2 HIS A 5 6.478 4.690 10.946 1.00 0.00 C ATOM 74 CE1 HIS A 5 5.757 3.841 9.056 1.00 0.00 C ATOM 75 NE2 HIS A 5 6.039 3.510 10.330 1.00 0.00 N ATOM 0 H HIS A 5 5.493 7.876 8.385 1.00 0.00 H new ATOM 0 HA HIS A 5 7.759 8.930 9.507 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.535 7.155 11.130 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.931 7.665 10.643 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.844 5.644 7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.786 4.786 11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.395 3.151 8.308 1.00 0.00 H new ATOM 83 N GLU A 6 8.661 6.409 7.622 1.00 0.00 N ATOM 84 CA GLU A 6 9.861 5.803 7.043 1.00 0.00 C ATOM 85 C GLU A 6 10.658 6.866 6.292 1.00 0.00 C ATOM 86 O GLU A 6 11.861 7.020 6.492 1.00 0.00 O ATOM 87 CB GLU A 6 9.497 4.675 6.064 1.00 0.00 C ATOM 88 CG GLU A 6 9.034 3.387 6.756 1.00 0.00 C ATOM 89 CD GLU A 6 8.718 2.270 5.743 1.00 0.00 C ATOM 90 OE1 GLU A 6 9.518 2.042 4.805 1.00 0.00 O ATOM 91 OE2 GLU A 6 7.674 1.594 5.889 1.00 0.00 O ATOM 0 H GLU A 6 7.787 6.088 7.204 1.00 0.00 H new ATOM 0 HA GLU A 6 10.454 5.385 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.708 5.024 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.363 4.452 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.809 3.045 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.147 3.595 7.354 1.00 0.00 H new ATOM 98 N ILE A 7 9.980 7.619 5.431 1.00 0.00 N ATOM 99 CA ILE A 7 10.601 8.607 4.569 1.00 0.00 C ATOM 100 C ILE A 7 11.159 9.757 5.412 1.00 0.00 C ATOM 101 O ILE A 7 12.242 10.250 5.108 1.00 0.00 O ATOM 102 CB ILE A 7 9.556 9.074 3.525 1.00 0.00 C ATOM 103 CG1 ILE A 7 9.057 7.920 2.617 1.00 0.00 C ATOM 104 CG2 ILE A 7 10.059 10.253 2.682 1.00 0.00 C ATOM 105 CD1 ILE A 7 10.056 7.407 1.570 1.00 0.00 C ATOM 0 H ILE A 7 8.969 7.555 5.314 1.00 0.00 H new ATOM 0 HA ILE A 7 11.447 8.181 4.029 1.00 0.00 H new ATOM 0 HB ILE A 7 8.701 9.422 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.766 7.084 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.158 8.254 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.290 10.542 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.283 11.097 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.961 9.958 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.599 6.602 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.331 8.221 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.948 7.033 2.071 1.00 0.00 H new ATOM 117 N ASP A 8 10.480 10.150 6.492 1.00 0.00 N ATOM 118 CA ASP A 8 10.987 11.153 7.426 1.00 0.00 C ATOM 119 C ASP A 8 12.275 10.673 8.102 1.00 0.00 C ATOM 120 O ASP A 8 13.217 11.452 8.262 1.00 0.00 O ATOM 121 CB ASP A 8 9.924 11.465 8.483 1.00 0.00 C ATOM 122 CG ASP A 8 10.462 12.460 9.523 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.539 13.672 9.222 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.771 12.042 10.661 1.00 0.00 O ATOM 0 H ASP A 8 9.563 9.780 6.742 1.00 0.00 H new ATOM 0 HA ASP A 8 11.215 12.059 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.038 11.879 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.617 10.544 8.979 1.00 0.00 H new ATOM 129 N THR A 9 12.342 9.382 8.436 1.00 0.00 N ATOM 130 CA THR A 9 13.546 8.745 8.950 1.00 0.00 C ATOM 131 C THR A 9 14.663 8.824 7.899 1.00 0.00 C ATOM 132 O THR A 9 15.788 9.215 8.228 1.00 0.00 O ATOM 133 CB THR A 9 13.172 7.306 9.391 1.00 0.00 C ATOM 134 OG1 THR A 9 13.102 7.237 10.804 1.00 0.00 O ATOM 135 CG2 THR A 9 14.070 6.177 8.875 1.00 0.00 C ATOM 0 H THR A 9 11.549 8.746 8.354 1.00 0.00 H new ATOM 0 HA THR A 9 13.943 9.256 9.827 1.00 0.00 H new ATOM 0 HB THR A 9 12.204 7.129 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.864 6.326 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.706 5.221 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.053 6.168 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.091 6.338 9.220 1.00 0.00 H new ATOM 143 N ILE A 10 14.364 8.483 6.642 1.00 0.00 N ATOM 144 CA ILE A 10 15.351 8.452 5.571 1.00 0.00 C ATOM 145 C ILE A 10 15.883 9.866 5.347 1.00 0.00 C ATOM 146 O ILE A 10 17.096 10.061 5.390 1.00 0.00 O ATOM 147 CB ILE A 10 14.736 7.809 4.303 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.541 6.295 4.543 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.599 8.046 3.051 1.00 0.00 C ATOM 150 CD1 ILE A 10 13.667 5.622 3.483 1.00 0.00 C ATOM 0 H ILE A 10 13.425 8.220 6.343 1.00 0.00 H new ATOM 0 HA ILE A 10 16.203 7.828 5.841 1.00 0.00 H new ATOM 0 HB ILE A 10 13.773 8.285 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.516 5.809 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.091 6.145 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.126 7.576 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.696 9.117 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.588 7.613 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.571 4.561 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.679 6.083 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.127 5.742 2.502 1.00 0.00 H new ATOM 162 N LEU A 11 15.005 10.857 5.162 1.00 0.00 N ATOM 163 CA LEU A 11 15.423 12.222 4.868 1.00 0.00 C ATOM 164 C LEU A 11 16.244 12.802 6.008 1.00 0.00 C ATOM 165 O LEU A 11 17.237 13.473 5.746 1.00 0.00 O ATOM 166 CB LEU A 11 14.220 13.137 4.563 1.00 0.00 C ATOM 167 CG LEU A 11 14.028 13.500 3.079 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.238 14.235 2.478 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.692 12.265 2.238 1.00 0.00 C ATOM 0 H LEU A 11 13.994 10.733 5.212 1.00 0.00 H new ATOM 0 HA LEU A 11 16.047 12.176 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.313 12.649 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.332 14.059 5.134 1.00 0.00 H new ATOM 0 HG LEU A 11 13.184 14.189 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.041 14.463 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.409 15.162 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.122 13.601 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.563 12.558 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.504 11.541 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.770 11.815 2.605 1.00 0.00 H new ATOM 181 N SER A 12 15.865 12.543 7.257 1.00 0.00 N ATOM 182 CA SER A 12 16.630 13.004 8.405 1.00 0.00 C ATOM 183 C SER A 12 17.984 12.323 8.446 1.00 0.00 C ATOM 184 O SER A 12 18.980 13.028 8.554 1.00 0.00 O ATOM 185 CB SER A 12 15.846 12.779 9.704 1.00 0.00 C ATOM 186 OG SER A 12 14.552 13.348 9.621 1.00 0.00 O ATOM 0 H SER A 12 15.027 12.013 7.497 1.00 0.00 H new ATOM 0 HA SER A 12 16.799 14.076 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.765 11.710 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.388 13.220 10.541 1.00 0.00 H new ATOM 0 HG SER A 12 13.935 12.701 9.220 1.00 0.00 H new ATOM 192 N THR A 13 18.067 11.002 8.293 1.00 0.00 N ATOM 193 CA THR A 13 19.359 10.334 8.338 1.00 0.00 C ATOM 194 C THR A 13 20.264 10.850 7.219 1.00 0.00 C ATOM 195 O THR A 13 21.419 11.186 7.472 1.00 0.00 O ATOM 196 CB THR A 13 19.192 8.813 8.267 1.00 0.00 C ATOM 197 OG1 THR A 13 18.270 8.357 9.240 1.00 0.00 O ATOM 198 CG2 THR A 13 20.564 8.185 8.522 1.00 0.00 C ATOM 0 H THR A 13 17.269 10.386 8.140 1.00 0.00 H new ATOM 0 HA THR A 13 19.836 10.565 9.291 1.00 0.00 H new ATOM 0 HB THR A 13 18.806 8.530 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.359 8.584 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.481 7.099 8.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.267 8.526 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.923 8.482 9.507 1.00 0.00 H new ATOM 206 N LEU A 14 19.727 10.977 6.006 1.00 0.00 N ATOM 207 CA LEU A 14 20.444 11.531 4.869 1.00 0.00 C ATOM 208 C LEU A 14 20.925 12.941 5.181 1.00 0.00 C ATOM 209 O LEU A 14 22.095 13.222 4.978 1.00 0.00 O ATOM 210 CB LEU A 14 19.536 11.549 3.634 1.00 0.00 C ATOM 211 CG LEU A 14 19.317 10.161 3.014 1.00 0.00 C ATOM 212 CD1 LEU A 14 18.136 10.224 2.050 1.00 0.00 C ATOM 213 CD2 LEU A 14 20.563 9.664 2.270 1.00 0.00 C ATOM 0 H LEU A 14 18.772 10.694 5.788 1.00 0.00 H new ATOM 0 HA LEU A 14 21.311 10.903 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.570 11.972 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.970 12.209 2.883 1.00 0.00 H new ATOM 0 HG LEU A 14 19.112 9.458 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.976 9.241 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.240 10.528 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.347 10.947 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.365 8.679 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.810 10.360 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.400 9.599 2.965 1.00 0.00 H new ATOM 225 N ARG A 15 20.061 13.816 5.709 1.00 0.00 N ATOM 226 CA ARG A 15 20.444 15.180 6.076 1.00 0.00 C ATOM 227 C ARG A 15 21.541 15.170 7.145 1.00 0.00 C ATOM 228 O ARG A 15 22.463 15.977 7.057 1.00 0.00 O ATOM 229 CB ARG A 15 19.215 15.983 6.535 1.00 0.00 C ATOM 230 CG ARG A 15 18.357 16.472 5.353 1.00 0.00 C ATOM 231 CD ARG A 15 17.011 17.003 5.862 1.00 0.00 C ATOM 232 NE ARG A 15 16.264 17.728 4.818 1.00 0.00 N ATOM 233 CZ ARG A 15 14.957 17.626 4.538 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.162 16.761 5.161 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.439 18.415 3.614 1.00 0.00 N ATOM 0 H ARG A 15 19.082 13.598 5.892 1.00 0.00 H new ATOM 0 HA ARG A 15 20.852 15.673 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.604 15.363 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.544 16.841 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.885 17.257 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.192 15.655 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.408 16.170 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.182 17.666 6.710 1.00 0.00 H new ATOM 0 HE ARG A 15 16.801 18.379 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.542 16.145 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.172 16.713 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.031 19.087 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.447 18.352 3.387 1.00 0.00 H new ATOM 249 N MET A 16 21.483 14.271 8.131 1.00 0.00 N ATOM 250 CA MET A 16 22.572 14.146 9.112 1.00 0.00 C ATOM 251 C MET A 16 23.889 13.690 8.477 1.00 0.00 C ATOM 252 O MET A 16 24.953 14.219 8.803 1.00 0.00 O ATOM 253 CB MET A 16 22.209 13.191 10.255 1.00 0.00 C ATOM 254 CG MET A 16 21.025 13.750 11.035 1.00 0.00 C ATOM 255 SD MET A 16 20.698 12.971 12.641 1.00 0.00 S ATOM 256 CE MET A 16 20.172 11.326 12.088 1.00 0.00 C ATOM 0 H MET A 16 20.706 13.626 8.273 1.00 0.00 H new ATOM 0 HA MET A 16 22.713 15.149 9.515 1.00 0.00 H new ATOM 0 HB2 MET A 16 21.962 12.207 9.855 1.00 0.00 H new ATOM 0 HB3 MET A 16 23.064 13.060 10.918 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.191 14.815 11.196 1.00 0.00 H new ATOM 0 HG3 MET A 16 20.131 13.656 10.418 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.930 10.711 12.955 1.00 0.00 H new ATOM 0 HE2 MET A 16 19.291 11.420 11.453 1.00 0.00 H new ATOM 0 HE3 MET A 16 20.978 10.857 11.523 1.00 0.00 H new ATOM 266 N GLU A 17 23.825 12.700 7.591 1.00 0.00 N ATOM 267 CA GLU A 17 24.988 12.104 6.939 1.00 0.00 C ATOM 268 C GLU A 17 25.601 13.061 5.904 1.00 0.00 C ATOM 269 O GLU A 17 26.804 13.015 5.639 1.00 0.00 O ATOM 270 CB GLU A 17 24.549 10.786 6.268 1.00 0.00 C ATOM 271 CG GLU A 17 24.444 9.645 7.278 1.00 0.00 C ATOM 272 CD GLU A 17 23.979 8.312 6.675 1.00 0.00 C ATOM 273 OE1 GLU A 17 23.110 8.282 5.779 1.00 0.00 O ATOM 274 OE2 GLU A 17 24.472 7.253 7.127 1.00 0.00 O ATOM 0 H GLU A 17 22.942 12.280 7.299 1.00 0.00 H new ATOM 0 HA GLU A 17 25.757 11.905 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.585 10.930 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.264 10.518 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 17 25.417 9.499 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.750 9.936 8.067 1.00 0.00 H new ATOM 281 N ALA A 18 24.764 13.912 5.314 1.00 0.00 N ATOM 282 CA ALA A 18 25.070 14.772 4.194 1.00 0.00 C ATOM 283 C ALA A 18 26.123 15.829 4.512 1.00 0.00 C ATOM 284 O ALA A 18 26.121 16.457 5.575 1.00 0.00 O ATOM 285 CB ALA A 18 23.766 15.439 3.751 1.00 0.00 C ATOM 0 H ALA A 18 23.800 14.019 5.630 1.00 0.00 H new ATOM 0 HA ALA A 18 25.498 14.161 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 18 23.963 16.097 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.048 14.674 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.357 16.022 4.576 1.00 0.00 H new ATOM 291 N ASP A 19 27.019 16.017 3.547 1.00 0.00 N ATOM 292 CA ASP A 19 27.956 17.141 3.530 1.00 0.00 C ATOM 293 C ASP A 19 27.123 18.424 3.345 1.00 0.00 C ATOM 294 O ASP A 19 26.157 18.382 2.575 1.00 0.00 O ATOM 295 CB ASP A 19 28.943 16.989 2.363 1.00 0.00 C ATOM 296 CG ASP A 19 29.899 18.188 2.274 1.00 0.00 C ATOM 297 OD1 ASP A 19 29.520 19.215 1.665 1.00 0.00 O ATOM 298 OD2 ASP A 19 31.028 18.099 2.807 1.00 0.00 O ATOM 0 H ASP A 19 27.118 15.390 2.748 1.00 0.00 H new ATOM 0 HA ASP A 19 28.530 17.178 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.519 16.072 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.391 16.893 1.428 1.00 0.00 H new ATOM 303 N PRO A 20 27.445 19.560 3.997 1.00 0.00 N ATOM 304 CA PRO A 20 26.686 20.803 3.868 1.00 0.00 C ATOM 305 C PRO A 20 26.364 21.243 2.433 1.00 0.00 C ATOM 306 O PRO A 20 25.313 21.845 2.203 1.00 0.00 O ATOM 307 CB PRO A 20 27.509 21.862 4.605 1.00 0.00 C ATOM 308 CG PRO A 20 28.212 21.052 5.690 1.00 0.00 C ATOM 309 CD PRO A 20 28.488 19.716 5.000 1.00 0.00 C ATOM 0 HA PRO A 20 25.695 20.653 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 20 28.221 22.354 3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 26.877 22.642 5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 20 29.133 21.533 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 20 27.583 20.928 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 20 29.476 19.711 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 20 28.466 18.895 5.717 1.00 0.00 H new ATOM 317 N SER A 21 27.225 20.928 1.461 1.00 0.00 N ATOM 318 CA SER A 21 27.031 21.274 0.054 1.00 0.00 C ATOM 319 C SER A 21 25.783 20.604 -0.549 1.00 0.00 C ATOM 320 O SER A 21 25.241 21.088 -1.543 1.00 0.00 O ATOM 321 CB SER A 21 28.272 20.854 -0.752 1.00 0.00 C ATOM 322 OG SER A 21 29.477 21.132 -0.064 1.00 0.00 O ATOM 0 H SER A 21 28.090 20.417 1.635 1.00 0.00 H new ATOM 0 HA SER A 21 26.884 22.353 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 21 28.218 19.787 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 21 28.274 21.375 -1.710 1.00 0.00 H new ATOM 0 HG SER A 21 29.824 20.307 0.335 1.00 0.00 H new ATOM 328 N LEU A 22 25.337 19.484 0.031 1.00 0.00 N ATOM 329 CA LEU A 22 24.309 18.614 -0.532 1.00 0.00 C ATOM 330 C LEU A 22 22.914 18.945 0.010 1.00 0.00 C ATOM 331 O LEU A 22 21.925 18.507 -0.581 1.00 0.00 O ATOM 332 CB LEU A 22 24.665 17.151 -0.205 1.00 0.00 C ATOM 333 CG LEU A 22 25.951 16.641 -0.894 1.00 0.00 C ATOM 334 CD1 LEU A 22 26.443 15.339 -0.251 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.752 16.435 -2.402 1.00 0.00 C ATOM 0 H LEU A 22 25.693 19.153 0.928 1.00 0.00 H new ATOM 0 HA LEU A 22 24.280 18.770 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 24.780 17.050 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.832 16.512 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 22 26.708 17.413 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 22 27.349 15.004 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 22 26.658 15.513 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.672 14.574 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.681 16.076 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.963 15.701 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.471 17.381 -2.864 1.00 0.00 H new ATOM 347 N HIS A 23 22.808 19.697 1.116 1.00 0.00 N ATOM 348 CA HIS A 23 21.524 19.954 1.770 1.00 0.00 C ATOM 349 C HIS A 23 20.475 20.602 0.846 1.00 0.00 C ATOM 350 O HIS A 23 19.353 20.092 0.832 1.00 0.00 O ATOM 351 CB HIS A 23 21.685 20.793 3.052 1.00 0.00 C ATOM 352 CG HIS A 23 22.532 20.196 4.150 1.00 0.00 C ATOM 353 ND1 HIS A 23 23.159 20.913 5.147 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.740 18.868 4.419 1.00 0.00 C ATOM 355 CE1 HIS A 23 23.735 20.041 5.990 1.00 0.00 C ATOM 356 NE2 HIS A 23 23.514 18.779 5.583 1.00 0.00 N ATOM 0 H HIS A 23 23.604 20.139 1.576 1.00 0.00 H new ATOM 0 HA HIS A 23 21.148 18.967 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 23 22.114 21.756 2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.692 20.990 3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.372 18.037 3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 23 24.297 20.315 6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 23 23.845 17.925 6.033 1.00 0.00 H new ATOM 364 N PRO A 24 20.766 21.684 0.086 1.00 0.00 N ATOM 365 CA PRO A 24 19.736 22.390 -0.677 1.00 0.00 C ATOM 366 C PRO A 24 19.007 21.477 -1.664 1.00 0.00 C ATOM 367 O PRO A 24 17.788 21.550 -1.803 1.00 0.00 O ATOM 368 CB PRO A 24 20.451 23.537 -1.405 1.00 0.00 C ATOM 369 CG PRO A 24 21.695 23.778 -0.557 1.00 0.00 C ATOM 370 CD PRO A 24 22.041 22.379 -0.055 1.00 0.00 C ATOM 0 HA PRO A 24 18.960 22.762 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.710 23.263 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.825 24.428 -1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 24 22.506 24.209 -1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.496 24.465 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.694 21.861 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 24 22.570 22.424 0.897 1.00 0.00 H new ATOM 378 N LEU A 25 19.750 20.603 -2.347 1.00 0.00 N ATOM 379 CA LEU A 25 19.198 19.710 -3.349 1.00 0.00 C ATOM 380 C LEU A 25 18.188 18.724 -2.758 1.00 0.00 C ATOM 381 O LEU A 25 17.188 18.412 -3.413 1.00 0.00 O ATOM 382 CB LEU A 25 20.372 18.993 -4.018 1.00 0.00 C ATOM 383 CG LEU A 25 19.978 18.102 -5.205 1.00 0.00 C ATOM 384 CD1 LEU A 25 19.138 18.824 -6.266 1.00 0.00 C ATOM 385 CD2 LEU A 25 21.279 17.643 -5.852 1.00 0.00 C ATOM 0 H LEU A 25 20.756 20.500 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 25 18.636 20.284 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.089 19.739 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 25 20.880 18.381 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 25 19.364 17.283 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.898 18.132 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.215 19.188 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.703 19.666 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.055 17.003 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.844 18.512 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.870 17.085 -5.125 1.00 0.00 H new ATOM 397 N PHE A 26 18.406 18.262 -1.522 1.00 0.00 N ATOM 398 CA PHE A 26 17.479 17.332 -0.887 1.00 0.00 C ATOM 399 C PHE A 26 16.122 17.979 -0.590 1.00 0.00 C ATOM 400 O PHE A 26 15.144 17.250 -0.439 1.00 0.00 O ATOM 401 CB PHE A 26 18.066 16.645 0.363 1.00 0.00 C ATOM 402 CG PHE A 26 18.822 15.334 0.143 1.00 0.00 C ATOM 403 CD1 PHE A 26 18.399 14.375 -0.808 1.00 0.00 C ATOM 404 CD2 PHE A 26 19.925 15.029 0.966 1.00 0.00 C ATOM 405 CE1 PHE A 26 19.081 13.158 -0.960 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.605 13.804 0.824 1.00 0.00 C ATOM 407 CZ PHE A 26 20.185 12.868 -0.141 1.00 0.00 C ATOM 0 H PHE A 26 19.211 18.517 -0.949 1.00 0.00 H new ATOM 0 HA PHE A 26 17.311 16.542 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.741 17.348 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.249 16.453 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.538 14.583 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.251 15.740 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.758 12.446 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.451 13.582 1.457 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.710 11.931 -0.251 1.00 0.00 H new ATOM 417 N GLU A 27 16.017 19.313 -0.554 1.00 0.00 N ATOM 418 CA GLU A 27 14.733 19.984 -0.370 1.00 0.00 C ATOM 419 C GLU A 27 13.809 19.666 -1.556 1.00 0.00 C ATOM 420 O GLU A 27 12.643 19.320 -1.357 1.00 0.00 O ATOM 421 CB GLU A 27 14.918 21.507 -0.231 1.00 0.00 C ATOM 422 CG GLU A 27 15.893 21.957 0.869 1.00 0.00 C ATOM 423 CD GLU A 27 15.463 21.503 2.269 1.00 0.00 C ATOM 424 OE1 GLU A 27 14.602 22.164 2.893 1.00 0.00 O ATOM 425 OE2 GLU A 27 15.989 20.478 2.758 1.00 0.00 O ATOM 0 H GLU A 27 16.810 19.947 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 27 14.279 19.617 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.267 21.902 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.945 21.958 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.885 21.561 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.974 23.044 0.854 1.00 0.00 H new ATOM 432 N GLN A 28 14.333 19.731 -2.787 1.00 0.00 N ATOM 433 CA GLN A 28 13.544 19.456 -3.990 1.00 0.00 C ATOM 434 C GLN A 28 13.223 17.965 -4.062 1.00 0.00 C ATOM 435 O GLN A 28 12.092 17.597 -4.367 1.00 0.00 O ATOM 436 CB GLN A 28 14.281 19.904 -5.268 1.00 0.00 C ATOM 437 CG GLN A 28 14.309 21.431 -5.474 1.00 0.00 C ATOM 438 CD GLN A 28 15.077 22.168 -4.379 1.00 0.00 C ATOM 439 OE1 GLN A 28 14.524 22.976 -3.639 1.00 0.00 O ATOM 440 NE2 GLN A 28 16.357 21.864 -4.225 1.00 0.00 N ATOM 0 H GLN A 28 15.306 19.973 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 28 12.618 20.028 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.306 19.534 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.804 19.440 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.762 21.653 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.286 21.806 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.800 21.190 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.900 22.304 -3.482 1.00 0.00 H new ATOM 449 N PHE A 29 14.198 17.113 -3.735 1.00 0.00 N ATOM 450 CA PHE A 29 14.024 15.666 -3.718 1.00 0.00 C ATOM 451 C PHE A 29 12.871 15.267 -2.781 1.00 0.00 C ATOM 452 O PHE A 29 11.976 14.522 -3.186 1.00 0.00 O ATOM 453 CB PHE A 29 15.361 15.065 -3.271 1.00 0.00 C ATOM 454 CG PHE A 29 15.347 13.588 -2.962 1.00 0.00 C ATOM 455 CD1 PHE A 29 15.035 13.150 -1.660 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.661 12.653 -3.963 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.987 11.778 -1.375 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.594 11.283 -3.676 1.00 0.00 C ATOM 459 CZ PHE A 29 15.237 10.846 -2.391 1.00 0.00 C ATOM 0 H PHE A 29 15.136 17.415 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 29 13.755 15.287 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 29 16.099 15.246 -4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.699 15.599 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.833 13.871 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.952 12.988 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.758 11.440 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.818 10.560 -4.447 1.00 0.00 H new ATOM 0 HZ PHE A 29 15.155 9.789 -2.185 1.00 0.00 H new ATOM 469 N GLU A 30 12.857 15.810 -1.558 1.00 0.00 N ATOM 470 CA GLU A 30 11.796 15.587 -0.580 1.00 0.00 C ATOM 471 C GLU A 30 10.455 16.042 -1.147 1.00 0.00 C ATOM 472 O GLU A 30 9.490 15.275 -1.180 1.00 0.00 O ATOM 473 CB GLU A 30 12.160 16.348 0.710 1.00 0.00 C ATOM 474 CG GLU A 30 10.975 16.617 1.649 1.00 0.00 C ATOM 475 CD GLU A 30 11.473 17.179 2.988 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.726 18.400 3.076 1.00 0.00 O ATOM 477 OE2 GLU A 30 11.682 16.408 3.951 1.00 0.00 O ATOM 0 H GLU A 30 13.596 16.426 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 30 11.702 14.526 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.914 15.778 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.615 17.301 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.287 17.323 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.420 15.695 1.818 1.00 0.00 H new ATOM 484 N LYS A 31 10.408 17.295 -1.602 1.00 0.00 N ATOM 485 CA LYS A 31 9.190 17.933 -2.066 1.00 0.00 C ATOM 486 C LYS A 31 8.574 17.129 -3.202 1.00 0.00 C ATOM 487 O LYS A 31 7.408 16.750 -3.126 1.00 0.00 O ATOM 488 CB LYS A 31 9.580 19.346 -2.508 1.00 0.00 C ATOM 489 CG LYS A 31 8.481 20.132 -3.231 1.00 0.00 C ATOM 490 CD LYS A 31 9.163 21.297 -3.949 1.00 0.00 C ATOM 491 CE LYS A 31 8.119 22.165 -4.662 1.00 0.00 C ATOM 492 NZ LYS A 31 8.731 23.315 -5.372 1.00 0.00 N ATOM 0 H LYS A 31 11.229 17.897 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 31 8.434 17.982 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.890 19.911 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.447 19.277 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.956 19.495 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.738 20.498 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.719 21.900 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.884 20.916 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.567 21.553 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.397 22.534 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.986 23.872 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.236 23.915 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.400 22.965 -6.087 1.00 0.00 H new ATOM 506 N PHE A 32 9.343 16.863 -4.255 1.00 0.00 N ATOM 507 CA PHE A 32 8.811 16.187 -5.421 1.00 0.00 C ATOM 508 C PHE A 32 8.392 14.749 -5.115 1.00 0.00 C ATOM 509 O PHE A 32 7.416 14.294 -5.708 1.00 0.00 O ATOM 510 CB PHE A 32 9.791 16.300 -6.595 1.00 0.00 C ATOM 511 CG PHE A 32 9.777 17.675 -7.246 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.602 18.124 -7.875 1.00 0.00 C ATOM 513 CD2 PHE A 32 10.913 18.506 -7.251 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.551 19.361 -8.531 1.00 0.00 C ATOM 515 CE2 PHE A 32 10.855 19.773 -7.862 1.00 0.00 C ATOM 516 CZ PHE A 32 9.681 20.197 -8.514 1.00 0.00 C ATOM 0 H PHE A 32 10.331 17.107 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 32 7.892 16.690 -5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.799 16.080 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.543 15.547 -7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.720 17.502 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.829 18.172 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.652 19.669 -9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.716 20.424 -7.830 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.649 21.161 -8.999 1.00 0.00 H new ATOM 526 N TYR A 33 9.027 14.035 -4.178 1.00 0.00 N ATOM 527 CA TYR A 33 8.500 12.738 -3.753 1.00 0.00 C ATOM 528 C TYR A 33 7.156 12.915 -3.039 1.00 0.00 C ATOM 529 O TYR A 33 6.202 12.203 -3.355 1.00 0.00 O ATOM 530 CB TYR A 33 9.517 11.997 -2.876 1.00 0.00 C ATOM 531 CG TYR A 33 8.975 10.728 -2.243 1.00 0.00 C ATOM 532 CD1 TYR A 33 9.035 9.504 -2.937 1.00 0.00 C ATOM 533 CD2 TYR A 33 8.375 10.780 -0.971 1.00 0.00 C ATOM 534 CE1 TYR A 33 8.480 8.340 -2.378 1.00 0.00 C ATOM 535 CE2 TYR A 33 7.820 9.620 -0.407 1.00 0.00 C ATOM 536 CZ TYR A 33 7.869 8.393 -1.105 1.00 0.00 C ATOM 537 OH TYR A 33 7.312 7.277 -0.553 1.00 0.00 O ATOM 0 H TYR A 33 9.886 14.326 -3.711 1.00 0.00 H new ATOM 0 HA TYR A 33 8.327 12.124 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.389 11.746 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.858 12.667 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.511 9.459 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.341 11.713 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.520 7.407 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.353 9.666 0.566 1.00 0.00 H new ATOM 0 HH TYR A 33 6.939 7.498 0.326 1.00 0.00 H new ATOM 547 N GLU A 34 7.049 13.881 -2.120 1.00 0.00 N ATOM 548 CA GLU A 34 5.821 14.139 -1.372 1.00 0.00 C ATOM 549 C GLU A 34 4.660 14.483 -2.320 1.00 0.00 C ATOM 550 O GLU A 34 3.532 14.040 -2.102 1.00 0.00 O ATOM 551 CB GLU A 34 6.086 15.247 -0.336 1.00 0.00 C ATOM 552 CG GLU A 34 4.890 15.504 0.590 1.00 0.00 C ATOM 553 CD GLU A 34 5.244 16.534 1.679 1.00 0.00 C ATOM 554 OE1 GLU A 34 5.736 16.132 2.757 1.00 0.00 O ATOM 555 OE2 GLU A 34 5.035 17.750 1.462 1.00 0.00 O ATOM 0 H GLU A 34 7.817 14.506 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 34 5.518 13.239 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.952 14.973 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.339 16.170 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.044 15.865 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.580 14.569 1.056 1.00 0.00 H new ATOM 562 N GLU A 35 4.940 15.219 -3.401 1.00 0.00 N ATOM 563 CA GLU A 35 3.953 15.622 -4.402 1.00 0.00 C ATOM 564 C GLU A 35 3.628 14.514 -5.424 1.00 0.00 C ATOM 565 O GLU A 35 2.827 14.754 -6.329 1.00 0.00 O ATOM 566 CB GLU A 35 4.427 16.904 -5.112 1.00 0.00 C ATOM 567 CG GLU A 35 4.395 18.118 -4.171 1.00 0.00 C ATOM 568 CD GLU A 35 4.583 19.441 -4.934 1.00 0.00 C ATOM 569 OE1 GLU A 35 5.670 19.678 -5.506 1.00 0.00 O ATOM 570 OE2 GLU A 35 3.640 20.266 -4.953 1.00 0.00 O ATOM 0 H GLU A 35 5.880 15.557 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 35 3.021 15.817 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.441 16.760 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.793 17.097 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.445 18.139 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.180 18.017 -3.421 1.00 0.00 H new ATOM 577 N LYS A 36 4.204 13.309 -5.294 1.00 0.00 N ATOM 578 CA LYS A 36 4.046 12.202 -6.252 1.00 0.00 C ATOM 579 C LYS A 36 4.590 12.584 -7.641 1.00 0.00 C ATOM 580 O LYS A 36 4.015 12.238 -8.673 1.00 0.00 O ATOM 581 CB LYS A 36 2.578 11.712 -6.275 1.00 0.00 C ATOM 582 CG LYS A 36 2.435 10.288 -6.832 1.00 0.00 C ATOM 583 CD LYS A 36 0.989 9.971 -7.232 1.00 0.00 C ATOM 584 CE LYS A 36 0.866 8.504 -7.666 1.00 0.00 C ATOM 585 NZ LYS A 36 -0.518 8.153 -8.070 1.00 0.00 N ATOM 0 H LYS A 36 4.805 13.071 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 36 4.650 11.356 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.173 11.744 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.981 12.395 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.085 10.171 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.770 9.570 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.321 10.166 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.678 10.626 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.544 8.315 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.179 7.857 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.554 7.153 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.163 8.308 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.809 8.751 -8.869 1.00 0.00 H new ATOM 599 N LEU A 37 5.699 13.327 -7.688 1.00 0.00 N ATOM 600 CA LEU A 37 6.292 13.881 -8.898 1.00 0.00 C ATOM 601 C LEU A 37 7.623 13.206 -9.143 1.00 0.00 C ATOM 602 O LEU A 37 8.696 13.805 -9.100 1.00 0.00 O ATOM 603 CB LEU A 37 6.339 15.408 -8.798 1.00 0.00 C ATOM 604 CG LEU A 37 4.948 16.054 -8.935 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.056 17.580 -8.903 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.255 15.613 -10.225 1.00 0.00 C ATOM 0 H LEU A 37 6.226 13.566 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 37 5.686 13.676 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.775 15.692 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.995 15.799 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 37 4.347 15.720 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.062 18.017 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.499 17.894 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.684 17.918 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.275 16.086 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.860 15.908 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.135 14.530 -10.221 1.00 0.00 H new ATOM 618 N TRP A 38 7.483 11.908 -9.387 1.00 0.00 N ATOM 619 CA TRP A 38 8.577 10.947 -9.469 1.00 0.00 C ATOM 620 C TRP A 38 9.703 11.386 -10.407 1.00 0.00 C ATOM 621 O TRP A 38 10.874 11.193 -10.090 1.00 0.00 O ATOM 622 CB TRP A 38 8.045 9.578 -9.915 1.00 0.00 C ATOM 623 CG TRP A 38 6.844 9.011 -9.213 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.856 8.326 -9.834 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.496 8.991 -7.789 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.946 7.867 -8.909 1.00 0.00 N ATOM 627 CE2 TRP A 38 5.321 8.193 -7.625 1.00 0.00 C ATOM 628 CE3 TRP A 38 7.048 9.552 -6.615 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.773 7.907 -6.366 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.473 9.313 -5.353 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.352 8.477 -5.223 1.00 0.00 C ATOM 0 H TRP A 38 6.570 11.480 -9.539 1.00 0.00 H new ATOM 0 HA TRP A 38 9.003 10.883 -8.468 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.807 9.645 -10.977 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.858 8.858 -9.815 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.791 8.163 -10.900 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.099 7.350 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.927 10.175 -6.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.916 7.256 -6.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.898 9.777 -4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 38 4.937 8.274 -4.247 1.00 0.00 H new ATOM 642 N PHE A 39 9.376 11.974 -11.558 1.00 0.00 N ATOM 643 CA PHE A 39 10.383 12.318 -12.559 1.00 0.00 C ATOM 644 C PHE A 39 11.182 13.548 -12.116 1.00 0.00 C ATOM 645 O PHE A 39 12.394 13.603 -12.323 1.00 0.00 O ATOM 646 CB PHE A 39 9.743 12.521 -13.946 1.00 0.00 C ATOM 647 CG PHE A 39 8.314 12.024 -14.084 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.027 10.641 -14.076 1.00 0.00 C ATOM 649 CD2 PHE A 39 7.260 12.958 -14.134 1.00 0.00 C ATOM 650 CE1 PHE A 39 6.693 10.202 -14.131 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.928 12.514 -14.191 1.00 0.00 C ATOM 652 CZ PHE A 39 5.643 11.137 -14.191 1.00 0.00 C ATOM 0 H PHE A 39 8.422 12.222 -11.819 1.00 0.00 H new ATOM 0 HA PHE A 39 11.079 11.484 -12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.764 13.584 -14.185 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.359 12.015 -14.689 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.831 9.922 -14.028 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.476 14.016 -14.129 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.473 9.145 -14.127 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.122 13.231 -14.235 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.619 10.797 -14.237 1.00 0.00 H new ATOM 662 N GLN A 40 10.541 14.520 -11.456 1.00 0.00 N ATOM 663 CA GLN A 40 11.222 15.701 -10.927 1.00 0.00 C ATOM 664 C GLN A 40 12.085 15.297 -9.721 1.00 0.00 C ATOM 665 O GLN A 40 13.217 15.760 -9.550 1.00 0.00 O ATOM 666 CB GLN A 40 10.177 16.756 -10.538 1.00 0.00 C ATOM 667 CG GLN A 40 9.476 17.458 -11.718 1.00 0.00 C ATOM 668 CD GLN A 40 8.673 16.546 -12.644 1.00 0.00 C ATOM 669 OE1 GLN A 40 7.485 16.137 -12.229 1.00 0.00 O flip ATOM 670 NE2 GLN A 40 9.108 16.198 -13.737 1.00 0.00 N flip ATOM 0 H GLN A 40 9.537 14.507 -11.275 1.00 0.00 H new ATOM 0 HA GLN A 40 11.877 16.130 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.418 16.280 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.662 17.514 -9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.807 18.221 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.231 17.975 -12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.025 16.519 -14.047 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.553 15.587 -14.336 1.00 0.00 H new ATOM 679 N LEU A 41 11.563 14.380 -8.905 1.00 0.00 N ATOM 680 CA LEU A 41 12.308 13.708 -7.847 1.00 0.00 C ATOM 681 C LEU A 41 13.561 13.060 -8.452 1.00 0.00 C ATOM 682 O LEU A 41 14.660 13.221 -7.919 1.00 0.00 O ATOM 683 CB LEU A 41 11.349 12.700 -7.179 1.00 0.00 C ATOM 684 CG LEU A 41 11.976 11.419 -6.601 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.850 11.732 -5.393 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.864 10.446 -6.211 1.00 0.00 C ATOM 0 H LEU A 41 10.590 14.080 -8.965 1.00 0.00 H new ATOM 0 HA LEU A 41 12.662 14.395 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.824 13.214 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.598 12.408 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 41 12.611 10.965 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.280 10.808 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.651 12.409 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.245 12.203 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.303 9.537 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.222 10.909 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.272 10.198 -7.092 1.00 0.00 H new ATOM 698 N SER A 42 13.410 12.377 -9.588 1.00 0.00 N ATOM 699 CA SER A 42 14.512 11.708 -10.256 1.00 0.00 C ATOM 700 C SER A 42 15.541 12.709 -10.770 1.00 0.00 C ATOM 701 O SER A 42 16.731 12.449 -10.611 1.00 0.00 O ATOM 702 CB SER A 42 14.004 10.817 -11.392 1.00 0.00 C ATOM 703 OG SER A 42 13.072 9.878 -10.898 1.00 0.00 O ATOM 0 H SER A 42 12.515 12.276 -10.067 1.00 0.00 H new ATOM 0 HA SER A 42 15.006 11.073 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.539 11.430 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.841 10.298 -11.859 1.00 0.00 H new ATOM 0 HG SER A 42 12.258 10.344 -10.612 1.00 0.00 H new ATOM 709 N GLU A 43 15.156 13.860 -11.338 1.00 0.00 N ATOM 710 CA GLU A 43 16.167 14.827 -11.767 1.00 0.00 C ATOM 711 C GLU A 43 16.927 15.383 -10.563 1.00 0.00 C ATOM 712 O GLU A 43 18.130 15.608 -10.651 1.00 0.00 O ATOM 713 CB GLU A 43 15.625 15.939 -12.680 1.00 0.00 C ATOM 714 CG GLU A 43 14.851 17.092 -12.024 1.00 0.00 C ATOM 715 CD GLU A 43 14.782 18.323 -12.943 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.933 18.366 -13.862 1.00 0.00 O ATOM 717 OE2 GLU A 43 15.581 19.265 -12.732 1.00 0.00 O ATOM 0 H GLU A 43 14.188 14.135 -11.505 1.00 0.00 H new ATOM 0 HA GLU A 43 16.870 14.278 -12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.468 16.368 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.972 15.476 -13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.841 16.761 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.331 17.365 -11.084 1.00 0.00 H new ATOM 724 N SER A 44 16.250 15.562 -9.428 1.00 0.00 N ATOM 725 CA SER A 44 16.885 16.025 -8.196 1.00 0.00 C ATOM 726 C SER A 44 17.953 15.014 -7.749 1.00 0.00 C ATOM 727 O SER A 44 19.106 15.381 -7.514 1.00 0.00 O ATOM 728 CB SER A 44 15.818 16.275 -7.118 1.00 0.00 C ATOM 729 OG SER A 44 14.794 17.133 -7.598 1.00 0.00 O ATOM 0 H SER A 44 15.249 15.390 -9.338 1.00 0.00 H new ATOM 0 HA SER A 44 17.392 16.974 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.384 15.325 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.284 16.718 -6.237 1.00 0.00 H new ATOM 0 HG SER A 44 14.238 16.649 -8.244 1.00 0.00 H new ATOM 735 N LEU A 45 17.589 13.729 -7.714 1.00 0.00 N ATOM 736 CA LEU A 45 18.503 12.634 -7.406 1.00 0.00 C ATOM 737 C LEU A 45 19.655 12.567 -8.426 1.00 0.00 C ATOM 738 O LEU A 45 20.816 12.405 -8.052 1.00 0.00 O ATOM 739 CB LEU A 45 17.675 11.335 -7.342 1.00 0.00 C ATOM 740 CG LEU A 45 18.422 10.093 -6.824 1.00 0.00 C ATOM 741 CD1 LEU A 45 19.101 10.335 -5.468 1.00 0.00 C ATOM 742 CD2 LEU A 45 17.437 8.931 -6.656 1.00 0.00 C ATOM 0 H LEU A 45 16.636 13.419 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 45 18.985 12.791 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.809 11.509 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.296 11.118 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 45 19.192 9.861 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.613 9.427 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.824 11.145 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.348 10.606 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.969 8.053 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.663 9.211 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.978 8.701 -7.618 1.00 0.00 H new ATOM 754 N THR A 46 19.367 12.765 -9.711 1.00 0.00 N ATOM 755 CA THR A 46 20.361 12.749 -10.781 1.00 0.00 C ATOM 756 C THR A 46 21.361 13.901 -10.619 1.00 0.00 C ATOM 757 O THR A 46 22.566 13.689 -10.740 1.00 0.00 O ATOM 758 CB THR A 46 19.643 12.811 -12.141 1.00 0.00 C ATOM 759 OG1 THR A 46 18.703 11.757 -12.244 1.00 0.00 O ATOM 760 CG2 THR A 46 20.609 12.698 -13.320 1.00 0.00 C ATOM 0 H THR A 46 18.419 12.944 -10.043 1.00 0.00 H new ATOM 0 HA THR A 46 20.933 11.823 -10.729 1.00 0.00 H new ATOM 0 HB THR A 46 19.151 13.783 -12.186 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.847 12.043 -11.861 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.050 12.747 -14.254 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.326 13.518 -13.282 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.141 11.748 -13.265 1.00 0.00 H new ATOM 768 N LYS A 47 20.893 15.111 -10.300 1.00 0.00 N ATOM 769 CA LYS A 47 21.774 16.257 -10.058 1.00 0.00 C ATOM 770 C LYS A 47 22.705 15.975 -8.876 1.00 0.00 C ATOM 771 O LYS A 47 23.855 16.411 -8.889 1.00 0.00 O ATOM 772 CB LYS A 47 20.948 17.542 -9.875 1.00 0.00 C ATOM 773 CG LYS A 47 20.383 18.015 -11.231 1.00 0.00 C ATOM 774 CD LYS A 47 19.439 19.225 -11.153 1.00 0.00 C ATOM 775 CE LYS A 47 18.187 18.936 -10.310 1.00 0.00 C ATOM 776 NZ LYS A 47 17.115 19.941 -10.518 1.00 0.00 N ATOM 0 H LYS A 47 19.900 15.323 -10.203 1.00 0.00 H new ATOM 0 HA LYS A 47 22.410 16.414 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.131 17.361 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.571 18.324 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.216 18.265 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.849 17.186 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.974 20.073 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.137 19.513 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.805 17.946 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.461 18.915 -9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.586 20.072 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.539 20.846 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.468 19.610 -11.262 1.00 0.00 H new ATOM 790 N PHE A 48 22.260 15.181 -7.900 1.00 0.00 N ATOM 791 CA PHE A 48 23.093 14.747 -6.784 1.00 0.00 C ATOM 792 C PHE A 48 24.269 13.913 -7.309 1.00 0.00 C ATOM 793 O PHE A 48 25.410 14.114 -6.893 1.00 0.00 O ATOM 794 CB PHE A 48 22.218 13.956 -5.797 1.00 0.00 C ATOM 795 CG PHE A 48 22.580 14.101 -4.336 1.00 0.00 C ATOM 796 CD1 PHE A 48 23.773 13.544 -3.845 1.00 0.00 C ATOM 797 CD2 PHE A 48 21.689 14.735 -3.451 1.00 0.00 C ATOM 798 CE1 PHE A 48 24.032 13.534 -2.464 1.00 0.00 C ATOM 799 CE2 PHE A 48 21.978 14.780 -2.080 1.00 0.00 C ATOM 800 CZ PHE A 48 23.126 14.141 -1.578 1.00 0.00 C ATOM 0 H PHE A 48 21.306 14.821 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 48 23.514 15.604 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.182 14.268 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 48 22.268 12.900 -6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 48 24.493 13.122 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.783 15.187 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 48 24.926 13.061 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.317 15.307 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.311 14.117 -0.514 1.00 0.00 H new ATOM 810 N PHE A 49 24.015 13.007 -8.260 1.00 0.00 N ATOM 811 CA PHE A 49 25.074 12.235 -8.913 1.00 0.00 C ATOM 812 C PHE A 49 25.917 13.055 -9.892 1.00 0.00 C ATOM 813 O PHE A 49 27.057 12.672 -10.149 1.00 0.00 O ATOM 814 CB PHE A 49 24.494 11.005 -9.615 1.00 0.00 C ATOM 815 CG PHE A 49 24.100 9.924 -8.637 1.00 0.00 C ATOM 816 CD1 PHE A 49 25.093 9.108 -8.062 1.00 0.00 C ATOM 817 CD2 PHE A 49 22.754 9.751 -8.276 1.00 0.00 C ATOM 818 CE1 PHE A 49 24.735 8.117 -7.134 1.00 0.00 C ATOM 819 CE2 PHE A 49 22.397 8.754 -7.357 1.00 0.00 C ATOM 820 CZ PHE A 49 23.388 7.927 -6.801 1.00 0.00 C ATOM 0 H PHE A 49 23.076 12.791 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 49 25.747 11.918 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.622 11.299 -10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 49 25.229 10.609 -10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 49 26.129 9.244 -8.335 1.00 0.00 H new ATOM 0 HD2 PHE A 49 21.994 10.386 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 49 25.497 7.502 -6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 49 21.362 8.622 -7.077 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.110 7.142 -6.114 1.00 0.00 H new ATOM 830 N ASP A 50 25.416 14.169 -10.428 1.00 0.00 N ATOM 831 CA ASP A 50 26.234 15.068 -11.241 1.00 0.00 C ATOM 832 C ASP A 50 27.243 15.807 -10.358 1.00 0.00 C ATOM 833 O ASP A 50 28.403 15.964 -10.742 1.00 0.00 O ATOM 834 CB ASP A 50 25.364 16.073 -12.003 1.00 0.00 C ATOM 835 CG ASP A 50 26.240 17.032 -12.826 1.00 0.00 C ATOM 836 OD1 ASP A 50 26.787 16.611 -13.870 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.364 18.220 -12.453 1.00 0.00 O ATOM 0 H ASP A 50 24.448 14.470 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 50 26.773 14.465 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.678 15.542 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.755 16.641 -11.300 1.00 0.00 H new ATOM 842 N ASP A 51 26.820 16.223 -9.158 1.00 0.00 N ATOM 843 CA ASP A 51 27.678 16.911 -8.190 1.00 0.00 C ATOM 844 C ASP A 51 28.655 15.935 -7.515 1.00 0.00 C ATOM 845 O ASP A 51 29.783 16.310 -7.199 1.00 0.00 O ATOM 846 CB ASP A 51 26.802 17.644 -7.162 1.00 0.00 C ATOM 847 CG ASP A 51 27.548 18.712 -6.335 1.00 0.00 C ATOM 848 OD1 ASP A 51 28.689 19.103 -6.673 1.00 0.00 O ATOM 849 OD2 ASP A 51 26.953 19.205 -5.352 1.00 0.00 O ATOM 0 H ASP A 51 25.863 16.089 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 51 28.288 17.647 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.972 18.120 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.371 16.910 -6.481 1.00 0.00 H new ATOM 854 N ALA A 52 28.262 14.662 -7.355 1.00 0.00 N ATOM 855 CA ALA A 52 29.105 13.535 -6.930 1.00 0.00 C ATOM 856 C ALA A 52 29.945 13.797 -5.659 1.00 0.00 C ATOM 857 O ALA A 52 31.047 13.262 -5.518 1.00 0.00 O ATOM 858 CB ALA A 52 29.969 13.074 -8.117 1.00 0.00 C ATOM 0 H ALA A 52 27.298 14.377 -7.528 1.00 0.00 H new ATOM 0 HA ALA A 52 28.434 12.731 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.596 12.238 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.323 12.759 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.600 13.898 -8.449 1.00 0.00 H new ATOM 864 N LYS A 53 29.457 14.635 -4.731 1.00 0.00 N ATOM 865 CA LYS A 53 30.203 14.991 -3.514 1.00 0.00 C ATOM 866 C LYS A 53 30.442 13.776 -2.613 1.00 0.00 C ATOM 867 O LYS A 53 31.507 13.673 -2.001 1.00 0.00 O ATOM 868 CB LYS A 53 29.467 16.067 -2.705 1.00 0.00 C ATOM 869 CG LYS A 53 29.137 17.383 -3.426 1.00 0.00 C ATOM 870 CD LYS A 53 30.232 18.459 -3.387 1.00 0.00 C ATOM 871 CE LYS A 53 31.459 18.227 -4.282 1.00 0.00 C ATOM 872 NZ LYS A 53 31.128 18.217 -5.728 1.00 0.00 N ATOM 0 H LYS A 53 28.543 15.081 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 53 31.166 15.378 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.533 15.637 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 30.071 16.304 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.912 17.158 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.230 17.798 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.783 19.412 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 30.576 18.558 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 53 32.195 19.007 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.923 17.278 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.931 18.593 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.931 17.242 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.289 18.808 -5.896 1.00 0.00 H new ATOM 886 N SER A 54 29.468 12.862 -2.556 1.00 0.00 N ATOM 887 CA SER A 54 29.419 11.777 -1.585 1.00 0.00 C ATOM 888 C SER A 54 28.693 10.571 -2.190 1.00 0.00 C ATOM 889 O SER A 54 27.579 10.244 -1.784 1.00 0.00 O ATOM 890 CB SER A 54 28.684 12.324 -0.347 1.00 0.00 C ATOM 891 OG SER A 54 29.375 13.411 0.251 1.00 0.00 O ATOM 0 H SER A 54 28.677 12.861 -3.200 1.00 0.00 H new ATOM 0 HA SER A 54 30.416 11.437 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 54 27.683 12.646 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 54 28.564 11.525 0.385 1.00 0.00 H new ATOM 0 HG SER A 54 28.874 13.728 1.031 1.00 0.00 H new ATOM 897 N THR A 55 29.235 9.958 -3.239 1.00 0.00 N ATOM 898 CA THR A 55 28.538 8.942 -4.034 1.00 0.00 C ATOM 899 C THR A 55 27.952 7.767 -3.212 1.00 0.00 C ATOM 900 O THR A 55 26.751 7.513 -3.345 1.00 0.00 O ATOM 901 CB THR A 55 29.424 8.525 -5.230 1.00 0.00 C ATOM 902 OG1 THR A 55 30.244 9.613 -5.632 1.00 0.00 O ATOM 903 CG2 THR A 55 28.574 8.121 -6.428 1.00 0.00 C ATOM 0 H THR A 55 30.181 10.153 -3.567 1.00 0.00 H new ATOM 0 HA THR A 55 27.633 9.395 -4.438 1.00 0.00 H new ATOM 0 HB THR A 55 30.031 7.680 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.803 9.339 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 55 29.224 7.833 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 27.938 7.279 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.951 8.962 -6.733 1.00 0.00 H new ATOM 911 N PRO A 56 28.695 7.075 -2.325 1.00 0.00 N ATOM 912 CA PRO A 56 28.160 5.996 -1.488 1.00 0.00 C ATOM 913 C PRO A 56 26.989 6.391 -0.577 1.00 0.00 C ATOM 914 O PRO A 56 26.222 5.517 -0.174 1.00 0.00 O ATOM 915 CB PRO A 56 29.338 5.484 -0.654 1.00 0.00 C ATOM 916 CG PRO A 56 30.540 5.806 -1.531 1.00 0.00 C ATOM 917 CD PRO A 56 30.138 7.129 -2.173 1.00 0.00 C ATOM 0 HA PRO A 56 27.732 5.236 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 56 29.397 5.985 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 56 29.258 4.415 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 56 31.455 5.901 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 56 30.717 5.031 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 56 30.434 7.972 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 56 30.628 7.260 -3.138 1.00 0.00 H new ATOM 925 N LEU A 57 26.814 7.684 -0.262 1.00 0.00 N ATOM 926 CA LEU A 57 25.737 8.175 0.610 1.00 0.00 C ATOM 927 C LEU A 57 24.358 7.810 0.034 1.00 0.00 C ATOM 928 O LEU A 57 23.382 7.742 0.773 1.00 0.00 O ATOM 929 CB LEU A 57 25.898 9.701 0.814 1.00 0.00 C ATOM 930 CG LEU A 57 25.604 10.278 2.218 1.00 0.00 C ATOM 931 CD1 LEU A 57 25.885 11.780 2.210 1.00 0.00 C ATOM 932 CD2 LEU A 57 24.181 10.084 2.745 1.00 0.00 C ATOM 0 H LEU A 57 27.423 8.425 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 57 25.807 7.692 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.922 9.967 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.244 10.204 0.102 1.00 0.00 H new ATOM 0 HG LEU A 57 26.255 9.712 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 57 25.680 12.194 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 26.930 11.953 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.246 12.266 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.096 10.530 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.474 10.565 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.958 9.019 2.806 1.00 0.00 H new ATOM 944 N ARG A 58 24.247 7.540 -1.276 1.00 0.00 N ATOM 945 CA ARG A 58 22.975 7.145 -1.881 1.00 0.00 C ATOM 946 C ARG A 58 22.597 5.677 -1.660 1.00 0.00 C ATOM 947 O ARG A 58 21.505 5.301 -2.077 1.00 0.00 O ATOM 948 CB ARG A 58 22.958 7.465 -3.389 1.00 0.00 C ATOM 949 CG ARG A 58 21.881 8.497 -3.766 1.00 0.00 C ATOM 950 CD ARG A 58 22.303 9.957 -3.607 1.00 0.00 C ATOM 951 NE ARG A 58 23.397 10.284 -4.537 1.00 0.00 N ATOM 952 CZ ARG A 58 24.680 10.455 -4.208 1.00 0.00 C ATOM 953 NH1 ARG A 58 25.055 10.390 -2.934 1.00 0.00 N ATOM 954 NH2 ARG A 58 25.563 10.711 -5.168 1.00 0.00 N ATOM 0 H ARG A 58 25.026 7.589 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 58 22.221 7.738 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 58 23.936 7.842 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.786 6.546 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 58 21.586 8.330 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 58 20.999 8.320 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.451 10.610 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 58 22.624 10.139 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 58 23.153 10.389 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.363 10.209 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 58 26.035 10.521 -2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 58 25.257 10.774 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 58 26.547 10.844 -4.934 1.00 0.00 H new ATOM 968 N LEU A 59 23.411 4.819 -1.033 1.00 0.00 N ATOM 969 CA LEU A 59 23.062 3.390 -0.955 1.00 0.00 C ATOM 970 C LEU A 59 21.737 3.167 -0.204 1.00 0.00 C ATOM 971 O LEU A 59 20.902 2.375 -0.638 1.00 0.00 O ATOM 972 CB LEU A 59 24.217 2.558 -0.352 1.00 0.00 C ATOM 973 CG LEU A 59 24.583 1.285 -1.145 1.00 0.00 C ATOM 974 CD1 LEU A 59 23.390 0.349 -1.373 1.00 0.00 C ATOM 975 CD2 LEU A 59 25.241 1.635 -2.489 1.00 0.00 C ATOM 0 H LEU A 59 24.290 5.075 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 59 22.910 3.035 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 59 25.102 3.190 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.947 2.271 0.664 1.00 0.00 H new ATOM 0 HG LEU A 59 25.299 0.746 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 59 23.716 -0.526 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 59 22.987 0.032 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 22.617 0.874 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 59 25.487 0.717 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 59 24.551 2.230 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.152 2.206 -2.310 1.00 0.00 H new ATOM 987 N ARG A 60 21.498 3.925 0.879 1.00 0.00 N ATOM 988 CA ARG A 60 20.210 3.886 1.593 1.00 0.00 C ATOM 989 C ARG A 60 19.059 4.423 0.740 1.00 0.00 C ATOM 990 O ARG A 60 17.930 3.965 0.912 1.00 0.00 O ATOM 991 CB ARG A 60 20.238 4.585 2.973 1.00 0.00 C ATOM 992 CG ARG A 60 20.800 6.016 3.032 1.00 0.00 C ATOM 993 CD ARG A 60 22.328 6.133 3.152 1.00 0.00 C ATOM 994 NE ARG A 60 22.850 5.836 4.494 1.00 0.00 N ATOM 995 CZ ARG A 60 23.410 4.710 4.948 1.00 0.00 C ATOM 996 NH1 ARG A 60 23.372 3.574 4.252 1.00 0.00 N ATOM 997 NH2 ARG A 60 24.025 4.738 6.121 1.00 0.00 N ATOM 0 H ARG A 60 22.178 4.571 1.279 1.00 0.00 H new ATOM 0 HA ARG A 60 20.031 2.828 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.219 4.607 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.823 3.965 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 20.484 6.547 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.348 6.528 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 60 22.791 5.454 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.627 7.143 2.873 1.00 0.00 H new ATOM 0 HE ARG A 60 22.774 6.594 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.906 3.547 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 60 23.809 2.732 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 60 24.063 5.606 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.460 3.892 6.489 1.00 0.00 H new ATOM 1011 N LEU A 61 19.339 5.366 -0.162 1.00 0.00 N ATOM 1012 CA LEU A 61 18.383 5.933 -1.110 1.00 0.00 C ATOM 1013 C LEU A 61 17.873 4.821 -2.019 1.00 0.00 C ATOM 1014 O LEU A 61 16.666 4.661 -2.183 1.00 0.00 O ATOM 1015 CB LEU A 61 19.083 7.041 -1.918 1.00 0.00 C ATOM 1016 CG LEU A 61 18.221 8.236 -2.340 1.00 0.00 C ATOM 1017 CD1 LEU A 61 17.049 7.806 -3.212 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.790 9.041 -1.117 1.00 0.00 C ATOM 0 H LEU A 61 20.272 5.769 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 61 17.531 6.371 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.919 7.416 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.505 6.592 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 61 18.825 8.896 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.462 8.681 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.425 7.320 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.420 7.109 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.179 9.886 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.210 8.405 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.673 9.408 -0.594 1.00 0.00 H new ATOM 1030 N TYR A 62 18.772 4.007 -2.573 1.00 0.00 N ATOM 1031 CA TYR A 62 18.347 2.860 -3.354 1.00 0.00 C ATOM 1032 C TYR A 62 17.570 1.877 -2.472 1.00 0.00 C ATOM 1033 O TYR A 62 16.414 1.566 -2.762 1.00 0.00 O ATOM 1034 CB TYR A 62 19.541 2.159 -4.021 1.00 0.00 C ATOM 1035 CG TYR A 62 19.147 0.768 -4.485 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.233 0.624 -5.545 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.526 -0.357 -3.723 1.00 0.00 C ATOM 1038 CE1 TYR A 62 17.660 -0.631 -5.812 1.00 0.00 C ATOM 1039 CE2 TYR A 62 18.972 -1.617 -3.998 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.028 -1.759 -5.040 1.00 0.00 C ATOM 1041 OH TYR A 62 17.465 -2.971 -5.297 1.00 0.00 O ATOM 0 H TYR A 62 19.782 4.123 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 62 17.691 3.218 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.888 2.748 -4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.371 2.093 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.972 1.478 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.245 -0.248 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.937 -0.735 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.267 -2.477 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 62 17.828 -3.638 -4.678 1.00 0.00 H new ATOM 1051 N ASP A 63 18.198 1.428 -1.382 1.00 0.00 N ATOM 1052 CA ASP A 63 17.700 0.310 -0.586 1.00 0.00 C ATOM 1053 C ASP A 63 16.347 0.540 0.092 1.00 0.00 C ATOM 1054 O ASP A 63 15.596 -0.422 0.263 1.00 0.00 O ATOM 1055 CB ASP A 63 18.758 -0.092 0.445 1.00 0.00 C ATOM 1056 CG ASP A 63 18.337 -1.347 1.229 1.00 0.00 C ATOM 1057 OD1 ASP A 63 18.238 -2.439 0.625 1.00 0.00 O ATOM 1058 OD2 ASP A 63 18.159 -1.260 2.464 1.00 0.00 O ATOM 0 H ASP A 63 19.066 1.831 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 63 17.516 -0.499 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.706 -0.279 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.923 0.733 1.138 1.00 0.00 H new ATOM 1063 N ASN A 64 15.991 1.784 0.438 1.00 0.00 N ATOM 1064 CA ASN A 64 14.817 2.053 1.283 1.00 0.00 C ATOM 1065 C ASN A 64 13.829 3.035 0.663 1.00 0.00 C ATOM 1066 O ASN A 64 12.754 3.231 1.236 1.00 0.00 O ATOM 1067 CB ASN A 64 15.231 2.620 2.652 1.00 0.00 C ATOM 1068 CG ASN A 64 16.279 1.805 3.385 1.00 0.00 C ATOM 1069 OD1 ASN A 64 15.970 0.902 4.159 1.00 0.00 O ATOM 1070 ND2 ASN A 64 17.536 2.140 3.158 1.00 0.00 N ATOM 0 H ASN A 64 16.498 2.620 0.147 1.00 0.00 H new ATOM 0 HA ASN A 64 14.328 1.085 1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.611 3.632 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.344 2.697 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.290 1.643 3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.753 2.896 2.508 1.00 0.00 H new ATOM 1077 N PHE A 65 14.169 3.677 -0.458 1.00 0.00 N ATOM 1078 CA PHE A 65 13.387 4.784 -0.991 1.00 0.00 C ATOM 1079 C PHE A 65 13.074 4.507 -2.463 1.00 0.00 C ATOM 1080 O PHE A 65 11.914 4.242 -2.766 1.00 0.00 O ATOM 1081 CB PHE A 65 14.142 6.092 -0.687 1.00 0.00 C ATOM 1082 CG PHE A 65 13.412 7.397 -0.941 1.00 0.00 C ATOM 1083 CD1 PHE A 65 13.108 7.795 -2.255 1.00 0.00 C ATOM 1084 CD2 PHE A 65 13.134 8.273 0.126 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.493 9.037 -2.496 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.568 9.534 -0.124 1.00 0.00 C ATOM 1087 CZ PHE A 65 12.230 9.910 -1.431 1.00 0.00 C ATOM 0 H PHE A 65 14.990 3.442 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 65 12.411 4.893 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.441 6.072 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.057 6.098 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.348 7.144 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.357 7.974 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 65 12.223 9.318 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.393 10.217 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.769 10.869 -1.617 1.00 0.00 H new ATOM 1097 N VAL A 66 14.063 4.452 -3.366 1.00 0.00 N ATOM 1098 CA VAL A 66 13.819 4.104 -4.775 1.00 0.00 C ATOM 1099 C VAL A 66 13.257 2.680 -4.881 1.00 0.00 C ATOM 1100 O VAL A 66 12.438 2.426 -5.762 1.00 0.00 O ATOM 1101 CB VAL A 66 15.084 4.346 -5.637 1.00 0.00 C ATOM 1102 CG1 VAL A 66 15.026 3.798 -7.079 1.00 0.00 C ATOM 1103 CG2 VAL A 66 15.355 5.860 -5.728 1.00 0.00 C ATOM 0 H VAL A 66 15.040 4.644 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 66 13.057 4.766 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 66 15.875 3.796 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.962 4.022 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.877 2.719 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.199 4.266 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 16.244 6.035 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.500 6.356 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.513 6.262 -4.727 1.00 0.00 H new ATOM 1113 N SER A 67 13.583 1.775 -3.953 1.00 0.00 N ATOM 1114 CA SER A 67 12.990 0.445 -3.872 1.00 0.00 C ATOM 1115 C SER A 67 11.451 0.460 -3.825 1.00 0.00 C ATOM 1116 O SER A 67 10.822 -0.502 -4.268 1.00 0.00 O ATOM 1117 CB SER A 67 13.584 -0.278 -2.655 1.00 0.00 C ATOM 1118 OG SER A 67 13.542 0.540 -1.498 1.00 0.00 O ATOM 0 H SER A 67 14.278 1.953 -3.228 1.00 0.00 H new ATOM 0 HA SER A 67 13.236 -0.093 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.031 -1.200 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.615 -0.561 -2.865 1.00 0.00 H new ATOM 0 HG SER A 67 14.126 0.161 -0.808 1.00 0.00 H new ATOM 1124 N LYS A 68 10.823 1.538 -3.336 1.00 0.00 N ATOM 1125 CA LYS A 68 9.364 1.653 -3.262 1.00 0.00 C ATOM 1126 C LYS A 68 8.726 1.937 -4.629 1.00 0.00 C ATOM 1127 O LYS A 68 7.520 1.733 -4.770 1.00 0.00 O ATOM 1128 CB LYS A 68 8.979 2.748 -2.251 1.00 0.00 C ATOM 1129 CG LYS A 68 9.327 2.371 -0.800 1.00 0.00 C ATOM 1130 CD LYS A 68 9.160 3.577 0.138 1.00 0.00 C ATOM 1131 CE LYS A 68 9.051 3.195 1.623 1.00 0.00 C ATOM 1132 NZ LYS A 68 10.207 2.420 2.134 1.00 0.00 N ATOM 0 H LYS A 68 11.316 2.357 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 68 8.976 0.691 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.491 3.674 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.909 2.943 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.684 1.556 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.353 2.007 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.008 4.249 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.267 4.131 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.947 4.105 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.142 2.612 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.136 2.332 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.207 1.473 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.090 2.911 1.889 1.00 0.00 H new ATOM 1146 N PHE A 69 9.486 2.405 -5.627 1.00 0.00 N ATOM 1147 CA PHE A 69 8.958 2.865 -6.917 1.00 0.00 C ATOM 1148 C PHE A 69 9.936 2.564 -8.063 1.00 0.00 C ATOM 1149 O PHE A 69 9.949 3.262 -9.077 1.00 0.00 O ATOM 1150 CB PHE A 69 8.574 4.357 -6.817 1.00 0.00 C ATOM 1151 CG PHE A 69 9.668 5.297 -6.339 1.00 0.00 C ATOM 1152 CD1 PHE A 69 10.593 5.857 -7.245 1.00 0.00 C ATOM 1153 CD2 PHE A 69 9.744 5.633 -4.975 1.00 0.00 C ATOM 1154 CE1 PHE A 69 11.601 6.720 -6.781 1.00 0.00 C ATOM 1155 CE2 PHE A 69 10.746 6.499 -4.515 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.681 7.033 -5.415 1.00 0.00 C ATOM 0 H PHE A 69 10.501 2.476 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 69 8.051 2.310 -7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.238 4.692 -7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.724 4.448 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.527 5.622 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.027 5.222 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.313 7.142 -7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.798 6.755 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.463 7.686 -5.056 1.00 0.00 H new ATOM 1166 N TYR A 70 10.744 1.510 -7.918 1.00 0.00 N ATOM 1167 CA TYR A 70 11.879 1.179 -8.780 1.00 0.00 C ATOM 1168 C TYR A 70 11.561 1.049 -10.279 1.00 0.00 C ATOM 1169 O TYR A 70 12.472 1.169 -11.096 1.00 0.00 O ATOM 1170 CB TYR A 70 12.596 -0.067 -8.241 1.00 0.00 C ATOM 1171 CG TYR A 70 11.820 -1.357 -8.411 1.00 0.00 C ATOM 1172 CD1 TYR A 70 10.753 -1.668 -7.547 1.00 0.00 C ATOM 1173 CD2 TYR A 70 12.145 -2.235 -9.459 1.00 0.00 C ATOM 1174 CE1 TYR A 70 10.007 -2.840 -7.737 1.00 0.00 C ATOM 1175 CE2 TYR A 70 11.403 -3.408 -9.659 1.00 0.00 C ATOM 1176 CZ TYR A 70 10.332 -3.724 -8.793 1.00 0.00 C ATOM 1177 OH TYR A 70 9.638 -4.884 -8.969 1.00 0.00 O ATOM 0 H TYR A 70 10.618 0.836 -7.163 1.00 0.00 H new ATOM 0 HA TYR A 70 12.543 2.042 -8.736 1.00 0.00 H new ATOM 0 HB2 TYR A 70 13.557 -0.166 -8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.807 0.079 -7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.508 -1.001 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.972 -2.005 -10.115 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.183 -3.068 -7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.650 -4.070 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 70 9.997 -5.366 -9.743 1.00 0.00 H new ATOM 1187 N ASP A 71 10.296 0.839 -10.659 1.00 0.00 N ATOM 1188 CA ASP A 71 9.870 0.707 -12.058 1.00 0.00 C ATOM 1189 C ASP A 71 8.931 1.847 -12.495 1.00 0.00 C ATOM 1190 O ASP A 71 8.588 1.958 -13.672 1.00 0.00 O ATOM 1191 CB ASP A 71 9.236 -0.676 -12.251 1.00 0.00 C ATOM 1192 CG ASP A 71 8.886 -0.946 -13.718 1.00 0.00 C ATOM 1193 OD1 ASP A 71 9.807 -1.187 -14.534 1.00 0.00 O ATOM 1194 OD2 ASP A 71 7.679 -0.954 -14.042 1.00 0.00 O ATOM 0 H ASP A 71 9.527 0.755 -9.994 1.00 0.00 H new ATOM 0 HA ASP A 71 10.743 0.792 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.924 -1.443 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.334 -0.750 -11.643 1.00 0.00 H new ATOM 1199 N LYS A 72 8.545 2.749 -11.578 1.00 0.00 N ATOM 1200 CA LYS A 72 7.791 3.967 -11.915 1.00 0.00 C ATOM 1201 C LYS A 72 8.662 4.976 -12.666 1.00 0.00 C ATOM 1202 O LYS A 72 8.123 5.911 -13.261 1.00 0.00 O ATOM 1203 CB LYS A 72 7.229 4.634 -10.646 1.00 0.00 C ATOM 1204 CG LYS A 72 6.262 3.772 -9.817 1.00 0.00 C ATOM 1205 CD LYS A 72 4.992 3.388 -10.595 1.00 0.00 C ATOM 1206 CE LYS A 72 3.910 2.764 -9.697 1.00 0.00 C ATOM 1207 NZ LYS A 72 4.266 1.411 -9.196 1.00 0.00 N ATOM 0 H LYS A 72 8.747 2.654 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 72 6.968 3.663 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.065 4.926 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.714 5.550 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.774 2.865 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.980 4.315 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.587 4.275 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.254 2.683 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.730 3.422 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.976 2.702 -10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.496 1.048 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.411 0.769 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.141 1.467 -8.637 1.00 0.00 H new ATOM 1221 N ILE A 73 9.983 4.801 -12.644 1.00 0.00 N ATOM 1222 CA ILE A 73 10.955 5.665 -13.296 1.00 0.00 C ATOM 1223 C ILE A 73 11.919 4.800 -14.106 1.00 0.00 C ATOM 1224 O ILE A 73 11.891 3.569 -14.018 1.00 0.00 O ATOM 1225 CB ILE A 73 11.662 6.581 -12.268 1.00 0.00 C ATOM 1226 CG1 ILE A 73 12.434 5.796 -11.181 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.616 7.530 -11.662 1.00 0.00 C ATOM 1228 CD1 ILE A 73 13.359 6.682 -10.334 1.00 0.00 C ATOM 0 H ILE A 73 10.418 4.021 -12.151 1.00 0.00 H new ATOM 0 HA ILE A 73 10.455 6.342 -13.989 1.00 0.00 H new ATOM 0 HB ILE A 73 12.427 7.158 -12.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.719 5.298 -10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.027 5.016 -11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.096 8.184 -10.934 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.170 8.133 -12.453 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.839 6.947 -11.168 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.870 6.069 -9.591 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.096 7.160 -10.979 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.768 7.447 -9.829 1.00 0.00 H new ATOM 1240 N ASN A 74 12.743 5.464 -14.921 1.00 0.00 N ATOM 1241 CA ASN A 74 13.644 4.815 -15.863 1.00 0.00 C ATOM 1242 C ASN A 74 14.521 3.781 -15.156 1.00 0.00 C ATOM 1243 O ASN A 74 15.227 4.100 -14.197 1.00 0.00 O ATOM 1244 CB ASN A 74 14.500 5.870 -16.573 1.00 0.00 C ATOM 1245 CG ASN A 74 15.644 5.256 -17.375 1.00 0.00 C ATOM 1246 OD1 ASN A 74 16.820 5.851 -17.322 1.00 0.00 O flip ATOM 1247 ND2 ASN A 74 15.498 4.221 -18.016 1.00 0.00 N flip ATOM 0 H ASN A 74 12.800 6.482 -14.941 1.00 0.00 H new ATOM 0 HA ASN A 74 13.051 4.286 -16.609 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.868 6.457 -17.240 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.909 6.559 -15.833 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.585 3.768 -18.051 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.290 3.813 -18.514 1.00 0.00 H new ATOM 1254 N GLN A 75 14.498 2.546 -15.650 1.00 0.00 N ATOM 1255 CA GLN A 75 15.172 1.418 -15.027 1.00 0.00 C ATOM 1256 C GLN A 75 16.696 1.589 -15.066 1.00 0.00 C ATOM 1257 O GLN A 75 17.382 1.174 -14.132 1.00 0.00 O ATOM 1258 CB GLN A 75 14.738 0.110 -15.714 1.00 0.00 C ATOM 1259 CG GLN A 75 13.224 -0.176 -15.610 1.00 0.00 C ATOM 1260 CD GLN A 75 12.322 0.551 -16.617 1.00 0.00 C ATOM 1261 OE1 GLN A 75 12.775 1.271 -17.505 1.00 0.00 O ATOM 1262 NE2 GLN A 75 11.016 0.392 -16.498 1.00 0.00 N ATOM 0 H GLN A 75 14.002 2.301 -16.507 1.00 0.00 H new ATOM 0 HA GLN A 75 14.883 1.374 -13.977 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.019 0.153 -16.766 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.287 -0.721 -15.271 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.070 -1.249 -15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.895 0.087 -14.605 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.640 -0.205 -15.762 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.384 0.866 -17.143 1.00 0.00 H new ATOM 1271 N LEU A 76 17.230 2.252 -16.102 1.00 0.00 N ATOM 1272 CA LEU A 76 18.656 2.585 -16.142 1.00 0.00 C ATOM 1273 C LEU A 76 18.981 3.666 -15.111 1.00 0.00 C ATOM 1274 O LEU A 76 20.098 3.660 -14.612 1.00 0.00 O ATOM 1275 CB LEU A 76 19.107 3.017 -17.546 1.00 0.00 C ATOM 1276 CG LEU A 76 19.032 1.917 -18.624 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.525 2.501 -19.952 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.863 0.671 -18.282 1.00 0.00 C ATOM 0 H LEU A 76 16.699 2.565 -16.915 1.00 0.00 H new ATOM 0 HA LEU A 76 19.211 1.681 -15.890 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.493 3.859 -17.865 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.134 3.376 -17.486 1.00 0.00 H new ATOM 0 HG LEU A 76 17.993 1.594 -18.687 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.478 1.735 -20.726 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.893 3.343 -20.236 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.554 2.841 -19.840 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.765 -0.062 -19.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.911 0.951 -18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.504 0.239 -17.348 1.00 0.00 H new ATOM 1290 N SER A 77 18.056 4.555 -14.737 1.00 0.00 N ATOM 1291 CA SER A 77 18.310 5.521 -13.674 1.00 0.00 C ATOM 1292 C SER A 77 18.476 4.809 -12.338 1.00 0.00 C ATOM 1293 O SER A 77 19.484 5.039 -11.671 1.00 0.00 O ATOM 1294 CB SER A 77 17.229 6.604 -13.620 1.00 0.00 C ATOM 1295 OG SER A 77 17.152 7.285 -14.863 1.00 0.00 O ATOM 0 H SER A 77 17.128 4.623 -15.156 1.00 0.00 H new ATOM 0 HA SER A 77 19.246 6.034 -13.897 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.265 6.154 -13.384 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.454 7.312 -12.823 1.00 0.00 H new ATOM 0 HG SER A 77 17.041 6.633 -15.587 1.00 0.00 H new ATOM 1301 N VAL A 78 17.558 3.906 -11.963 1.00 0.00 N ATOM 1302 CA VAL A 78 17.642 3.284 -10.641 1.00 0.00 C ATOM 1303 C VAL A 78 18.939 2.489 -10.497 1.00 0.00 C ATOM 1304 O VAL A 78 19.592 2.579 -9.454 1.00 0.00 O ATOM 1305 CB VAL A 78 16.387 2.475 -10.263 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.122 3.313 -10.491 1.00 0.00 C ATOM 1307 CG2 VAL A 78 16.226 1.125 -10.969 1.00 0.00 C ATOM 0 H VAL A 78 16.773 3.600 -12.538 1.00 0.00 H new ATOM 0 HA VAL A 78 17.672 4.090 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 78 16.529 2.240 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.244 2.727 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.164 4.211 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.058 3.597 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL A 78 15.310 0.643 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.174 1.282 -12.046 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.080 0.488 -10.736 1.00 0.00 H new ATOM 1317 N VAL A 79 19.363 1.767 -11.544 1.00 0.00 N ATOM 1318 CA VAL A 79 20.637 1.088 -11.500 1.00 0.00 C ATOM 1319 C VAL A 79 21.776 2.104 -11.546 1.00 0.00 C ATOM 1320 O VAL A 79 22.673 1.961 -10.736 1.00 0.00 O ATOM 1321 CB VAL A 79 20.737 -0.021 -12.559 1.00 0.00 C ATOM 1322 CG1 VAL A 79 19.644 -1.078 -12.357 1.00 0.00 C ATOM 1323 CG2 VAL A 79 20.715 0.495 -13.991 1.00 0.00 C ATOM 0 H VAL A 79 18.842 1.647 -12.413 1.00 0.00 H new ATOM 0 HA VAL A 79 20.727 0.563 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 79 21.715 -0.480 -12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.739 -1.850 -13.120 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.751 -1.528 -11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.664 -0.608 -12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.789 -0.345 -14.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.783 1.031 -14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.557 1.169 -14.148 1.00 0.00 H new ATOM 1333 N LYS A 80 21.776 3.146 -12.391 1.00 0.00 N ATOM 1334 CA LYS A 80 22.895 4.101 -12.450 1.00 0.00 C ATOM 1335 C LYS A 80 23.148 4.758 -11.096 1.00 0.00 C ATOM 1336 O LYS A 80 24.312 4.947 -10.736 1.00 0.00 O ATOM 1337 CB LYS A 80 22.675 5.164 -13.537 1.00 0.00 C ATOM 1338 CG LYS A 80 23.069 4.633 -14.926 1.00 0.00 C ATOM 1339 CD LYS A 80 22.691 5.633 -16.026 1.00 0.00 C ATOM 1340 CE LYS A 80 23.125 5.095 -17.397 1.00 0.00 C ATOM 1341 NZ LYS A 80 22.842 6.057 -18.494 1.00 0.00 N ATOM 0 H LYS A 80 21.017 3.349 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 80 23.785 3.529 -12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.628 5.468 -13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 80 23.263 6.052 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 80 24.142 4.443 -14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.572 3.681 -15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 80 21.615 5.805 -16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 80 23.169 6.594 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 80 24.192 4.873 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.608 4.156 -17.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 23.152 5.651 -19.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.821 6.250 -18.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.355 6.944 -18.319 1.00 0.00 H new ATOM 1355 N TYR A 81 22.093 5.065 -10.340 1.00 0.00 N ATOM 1356 CA TYR A 81 22.225 5.583 -8.987 1.00 0.00 C ATOM 1357 C TYR A 81 22.987 4.570 -8.125 1.00 0.00 C ATOM 1358 O TYR A 81 24.037 4.886 -7.565 1.00 0.00 O ATOM 1359 CB TYR A 81 20.832 5.880 -8.397 1.00 0.00 C ATOM 1360 CG TYR A 81 19.938 6.844 -9.170 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.475 7.883 -9.960 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.539 6.687 -9.097 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.628 8.754 -10.666 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.685 7.538 -9.821 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.227 8.585 -10.597 1.00 0.00 C ATOM 1366 OH TYR A 81 17.398 9.414 -11.286 1.00 0.00 O ATOM 0 H TYR A 81 21.127 4.960 -10.652 1.00 0.00 H new ATOM 0 HA TYR A 81 22.788 6.516 -9.004 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.300 4.934 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.969 6.279 -7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.546 8.010 -10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.119 5.906 -8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.048 9.552 -11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.616 7.391 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 81 17.909 10.176 -11.630 1.00 0.00 H new ATOM 1376 N LEU A 82 22.480 3.335 -8.057 1.00 0.00 N ATOM 1377 CA LEU A 82 23.070 2.282 -7.240 1.00 0.00 C ATOM 1378 C LEU A 82 24.515 1.995 -7.667 1.00 0.00 C ATOM 1379 O LEU A 82 25.407 1.985 -6.820 1.00 0.00 O ATOM 1380 CB LEU A 82 22.175 1.037 -7.335 1.00 0.00 C ATOM 1381 CG LEU A 82 22.650 -0.152 -6.485 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.823 0.209 -5.006 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.626 -1.280 -6.628 1.00 0.00 C ATOM 0 H LEU A 82 21.648 3.042 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 82 23.122 2.600 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 82 21.164 1.307 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.119 0.723 -8.377 1.00 0.00 H new ATOM 0 HG LEU A 82 23.631 -0.460 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.160 -0.669 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.562 1.004 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.870 0.549 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.942 -2.136 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.653 -0.935 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.552 -1.574 -7.675 1.00 0.00 H new ATOM 1395 N LEU A 83 24.734 1.821 -8.975 1.00 0.00 N ATOM 1396 CA LEU A 83 26.018 1.581 -9.632 1.00 0.00 C ATOM 1397 C LEU A 83 27.044 2.575 -9.107 1.00 0.00 C ATOM 1398 O LEU A 83 28.064 2.155 -8.570 1.00 0.00 O ATOM 1399 CB LEU A 83 25.880 1.736 -11.171 1.00 0.00 C ATOM 1400 CG LEU A 83 25.555 0.495 -12.037 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.729 -0.582 -11.337 1.00 0.00 C ATOM 1402 CD2 LEU A 83 24.836 0.891 -13.344 1.00 0.00 C ATOM 0 H LEU A 83 23.965 1.846 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 83 26.343 0.564 -9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 83 25.101 2.476 -11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.815 2.157 -11.542 1.00 0.00 H new ATOM 0 HG LEU A 83 26.533 0.062 -12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.553 -1.410 -12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 25.270 -0.945 -10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.773 -0.161 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.623 -0.005 -13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.902 1.400 -13.106 1.00 0.00 H new ATOM 0 HD23 LEU A 83 25.475 1.558 -13.923 1.00 0.00 H new ATOM 1414 N ALA A 84 26.774 3.877 -9.228 1.00 0.00 N ATOM 1415 CA ALA A 84 27.733 4.901 -8.844 1.00 0.00 C ATOM 1416 C ALA A 84 28.096 4.794 -7.359 1.00 0.00 C ATOM 1417 O ALA A 84 29.270 4.913 -7.002 1.00 0.00 O ATOM 1418 CB ALA A 84 27.169 6.283 -9.184 1.00 0.00 C ATOM 0 H ALA A 84 25.894 4.242 -9.591 1.00 0.00 H new ATOM 0 HA ALA A 84 28.654 4.751 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 84 27.888 7.050 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 84 26.981 6.346 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.236 6.439 -8.642 1.00 0.00 H new ATOM 1424 N SER A 85 27.111 4.545 -6.497 1.00 0.00 N ATOM 1425 CA SER A 85 27.334 4.453 -5.065 1.00 0.00 C ATOM 1426 C SER A 85 28.203 3.241 -4.710 1.00 0.00 C ATOM 1427 O SER A 85 29.284 3.421 -4.148 1.00 0.00 O ATOM 1428 CB SER A 85 25.977 4.435 -4.355 1.00 0.00 C ATOM 1429 OG SER A 85 25.277 5.634 -4.619 1.00 0.00 O ATOM 0 H SER A 85 26.140 4.403 -6.776 1.00 0.00 H new ATOM 0 HA SER A 85 27.891 5.325 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.391 3.580 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.121 4.317 -3.281 1.00 0.00 H new ATOM 0 HG SER A 85 25.782 6.393 -4.259 1.00 0.00 H new ATOM 1435 N LEU A 86 27.788 2.011 -5.045 1.00 0.00 N ATOM 1436 CA LEU A 86 28.539 0.820 -4.622 1.00 0.00 C ATOM 1437 C LEU A 86 29.798 0.567 -5.460 1.00 0.00 C ATOM 1438 O LEU A 86 30.675 -0.144 -4.971 1.00 0.00 O ATOM 1439 CB LEU A 86 27.684 -0.457 -4.422 1.00 0.00 C ATOM 1440 CG LEU A 86 26.476 -0.692 -5.342 1.00 0.00 C ATOM 1441 CD1 LEU A 86 26.881 -0.787 -6.808 1.00 0.00 C ATOM 1442 CD2 LEU A 86 25.719 -1.954 -4.925 1.00 0.00 C ATOM 0 H LEU A 86 26.953 1.816 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 86 28.882 1.074 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 86 28.347 -1.317 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 86 27.320 -0.453 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 86 25.820 0.172 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 86 25.995 -0.953 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 86 27.364 0.141 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 27.575 -1.617 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 86 24.867 -2.103 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 86 26.384 -2.815 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.366 -1.844 -3.900 1.00 0.00 H new ATOM 1454 N LYS A 87 29.956 1.155 -6.656 1.00 0.00 N ATOM 1455 CA LYS A 87 31.237 1.069 -7.368 1.00 0.00 C ATOM 1456 C LYS A 87 32.276 1.979 -6.720 1.00 0.00 C ATOM 1457 O LYS A 87 33.449 1.612 -6.686 1.00 0.00 O ATOM 1458 CB LYS A 87 31.097 1.281 -8.890 1.00 0.00 C ATOM 1459 CG LYS A 87 30.955 2.735 -9.385 1.00 0.00 C ATOM 1460 CD LYS A 87 32.266 3.466 -9.724 1.00 0.00 C ATOM 1461 CE LYS A 87 32.964 2.861 -10.953 1.00 0.00 C ATOM 1462 NZ LYS A 87 34.191 3.608 -11.327 1.00 0.00 N ATOM 0 H LYS A 87 29.230 1.683 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 87 31.601 0.046 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 87 31.969 0.842 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 30.227 0.721 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 87 30.323 2.735 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 87 30.431 3.308 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 87 32.056 4.519 -9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 87 32.938 3.421 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 87 33.222 1.822 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 87 32.273 2.857 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 34.627 3.164 -12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 33.943 4.593 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 34.863 3.591 -10.534 1.00 0.00 H new ATOM 1476 N ASP A 88 31.874 3.151 -6.208 1.00 0.00 N ATOM 1477 CA ASP A 88 32.806 4.057 -5.530 1.00 0.00 C ATOM 1478 C ASP A 88 33.109 3.579 -4.105 1.00 0.00 C ATOM 1479 O ASP A 88 34.197 3.838 -3.587 1.00 0.00 O ATOM 1480 CB ASP A 88 32.245 5.482 -5.492 1.00 0.00 C ATOM 1481 CG ASP A 88 33.298 6.458 -4.936 1.00 0.00 C ATOM 1482 OD1 ASP A 88 34.269 6.771 -5.660 1.00 0.00 O ATOM 1483 OD2 ASP A 88 33.151 6.936 -3.790 1.00 0.00 O ATOM 0 H ASP A 88 30.913 3.491 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 88 33.736 4.056 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.948 5.790 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.349 5.511 -4.871 1.00 0.00 H new ATOM 1488 N SER A 89 32.156 2.874 -3.485 1.00 0.00 N ATOM 1489 CA SER A 89 32.293 2.302 -2.150 1.00 0.00 C ATOM 1490 C SER A 89 33.460 1.301 -2.046 1.00 0.00 C ATOM 1491 O SER A 89 34.064 0.880 -3.036 1.00 0.00 O ATOM 1492 CB SER A 89 30.953 1.680 -1.731 1.00 0.00 C ATOM 1493 OG SER A 89 30.913 1.469 -0.332 1.00 0.00 O ATOM 0 H SER A 89 31.249 2.684 -3.911 1.00 0.00 H new ATOM 0 HA SER A 89 32.546 3.103 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.134 2.335 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.808 0.733 -2.251 1.00 0.00 H new ATOM 0 HG SER A 89 30.051 1.074 -0.085 1.00 0.00 H new ATOM 1499 N LYS A 90 33.762 0.910 -0.805 1.00 0.00 N ATOM 1500 CA LYS A 90 34.936 0.139 -0.383 1.00 0.00 C ATOM 1501 C LYS A 90 34.985 -1.324 -0.855 1.00 0.00 C ATOM 1502 O LYS A 90 35.828 -2.082 -0.371 1.00 0.00 O ATOM 1503 CB LYS A 90 35.092 0.259 1.151 1.00 0.00 C ATOM 1504 CG LYS A 90 34.221 -0.670 2.023 1.00 0.00 C ATOM 1505 CD LYS A 90 32.729 -0.677 1.664 1.00 0.00 C ATOM 1506 CE LYS A 90 31.957 -1.565 2.651 1.00 0.00 C ATOM 1507 NZ LYS A 90 30.533 -1.737 2.275 1.00 0.00 N ATOM 0 H LYS A 90 33.155 1.138 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 90 35.791 0.584 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.137 0.074 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 90 34.875 1.289 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 34.605 -1.687 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 90 34.328 -0.372 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 90 32.335 0.339 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 90 32.593 -1.045 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 90 32.435 -2.543 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 90 32.015 -1.128 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 29.943 -1.720 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 30.246 -0.964 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 30.410 -2.648 1.788 1.00 0.00 H new ATOM 1521 N ASP A 91 34.092 -1.756 -1.745 1.00 0.00 N ATOM 1522 CA ASP A 91 33.900 -3.164 -2.099 1.00 0.00 C ATOM 1523 C ASP A 91 33.615 -3.295 -3.605 1.00 0.00 C ATOM 1524 O ASP A 91 33.409 -2.285 -4.282 1.00 0.00 O ATOM 1525 CB ASP A 91 32.762 -3.725 -1.231 1.00 0.00 C ATOM 1526 CG ASP A 91 32.759 -5.255 -1.217 1.00 0.00 C ATOM 1527 OD1 ASP A 91 32.172 -5.846 -2.147 1.00 0.00 O ATOM 1528 OD2 ASP A 91 33.384 -5.858 -0.315 1.00 0.00 O ATOM 0 H ASP A 91 33.469 -1.126 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 91 34.802 -3.744 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 91 32.865 -3.352 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.805 -3.363 -1.608 1.00 0.00 H new ATOM 1533 N PHE A 92 33.628 -4.520 -4.139 1.00 0.00 N ATOM 1534 CA PHE A 92 33.464 -4.821 -5.566 1.00 0.00 C ATOM 1535 C PHE A 92 32.715 -6.142 -5.809 1.00 0.00 C ATOM 1536 O PHE A 92 32.716 -6.658 -6.928 1.00 0.00 O ATOM 1537 CB PHE A 92 34.839 -4.799 -6.271 1.00 0.00 C ATOM 1538 CG PHE A 92 35.719 -6.046 -6.200 1.00 0.00 C ATOM 1539 CD1 PHE A 92 35.721 -6.913 -5.085 1.00 0.00 C ATOM 1540 CD2 PHE A 92 36.569 -6.334 -7.287 1.00 0.00 C ATOM 1541 CE1 PHE A 92 36.541 -8.055 -5.073 1.00 0.00 C ATOM 1542 CE2 PHE A 92 37.391 -7.474 -7.276 1.00 0.00 C ATOM 1543 CZ PHE A 92 37.378 -8.336 -6.166 1.00 0.00 C ATOM 0 H PHE A 92 33.757 -5.358 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 92 32.838 -4.043 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 92 34.667 -4.575 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.410 -3.968 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 92 35.089 -6.697 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 92 36.589 -5.670 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 92 36.527 -8.718 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 92 38.032 -7.687 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 92 38.010 -9.212 -6.153 1.00 0.00 H new ATOM 1553 N ASP A 93 32.111 -6.722 -4.771 1.00 0.00 N ATOM 1554 CA ASP A 93 31.396 -7.996 -4.795 1.00 0.00 C ATOM 1555 C ASP A 93 29.988 -7.815 -4.227 1.00 0.00 C ATOM 1556 O ASP A 93 29.055 -8.487 -4.667 1.00 0.00 O ATOM 1557 CB ASP A 93 32.177 -9.042 -3.999 1.00 0.00 C ATOM 1558 CG ASP A 93 31.388 -10.352 -3.900 1.00 0.00 C ATOM 1559 OD1 ASP A 93 31.314 -11.099 -4.900 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.866 -10.658 -2.804 1.00 0.00 O ATOM 0 H ASP A 93 32.108 -6.294 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 93 31.306 -8.343 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 93 33.138 -9.227 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 93 32.387 -8.662 -2.999 1.00 0.00 H new ATOM 1565 N GLU A 94 29.781 -6.849 -3.327 1.00 0.00 N ATOM 1566 CA GLU A 94 28.439 -6.452 -2.914 1.00 0.00 C ATOM 1567 C GLU A 94 27.645 -6.009 -4.153 1.00 0.00 C ATOM 1568 O GLU A 94 26.453 -6.279 -4.246 1.00 0.00 O ATOM 1569 CB GLU A 94 28.500 -5.310 -1.884 1.00 0.00 C ATOM 1570 CG GLU A 94 28.994 -5.768 -0.505 1.00 0.00 C ATOM 1571 CD GLU A 94 28.962 -4.618 0.517 1.00 0.00 C ATOM 1572 OE1 GLU A 94 29.855 -3.740 0.491 1.00 0.00 O ATOM 1573 OE2 GLU A 94 28.048 -4.591 1.374 1.00 0.00 O ATOM 0 H GLU A 94 30.531 -6.328 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 94 27.943 -7.301 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.159 -4.527 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 94 27.509 -4.869 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 94 28.372 -6.590 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 94 30.011 -6.152 -0.591 1.00 0.00 H new ATOM 1580 N SER A 95 28.314 -5.400 -5.137 1.00 0.00 N ATOM 1581 CA SER A 95 27.742 -5.050 -6.430 1.00 0.00 C ATOM 1582 C SER A 95 27.166 -6.268 -7.159 1.00 0.00 C ATOM 1583 O SER A 95 26.076 -6.171 -7.726 1.00 0.00 O ATOM 1584 CB SER A 95 28.832 -4.363 -7.264 1.00 0.00 C ATOM 1585 OG SER A 95 30.095 -4.977 -7.056 1.00 0.00 O ATOM 0 H SER A 95 29.294 -5.132 -5.048 1.00 0.00 H new ATOM 0 HA SER A 95 26.903 -4.371 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 95 28.570 -4.411 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 95 28.888 -3.308 -6.997 1.00 0.00 H new ATOM 0 HG SER A 95 30.773 -4.523 -7.599 1.00 0.00 H new ATOM 1591 N LEU A 96 27.852 -7.418 -7.118 1.00 0.00 N ATOM 1592 CA LEU A 96 27.388 -8.658 -7.709 1.00 0.00 C ATOM 1593 C LEU A 96 26.054 -9.051 -7.078 1.00 0.00 C ATOM 1594 O LEU A 96 25.085 -9.289 -7.799 1.00 0.00 O ATOM 1595 CB LEU A 96 28.480 -9.730 -7.555 1.00 0.00 C ATOM 1596 CG LEU A 96 28.261 -11.037 -8.330 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.322 -12.007 -7.608 1.00 0.00 C ATOM 1598 CD2 LEU A 96 27.792 -10.801 -9.762 1.00 0.00 C ATOM 0 H LEU A 96 28.761 -7.503 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 96 27.206 -8.543 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.430 -9.299 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 96 28.576 -9.971 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 96 29.243 -11.507 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.206 -12.912 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 96 27.742 -12.264 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.349 -11.536 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 96 27.653 -11.760 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 96 26.847 -10.258 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.540 -10.217 -10.298 1.00 0.00 H new ATOM 1610 N LYS A 97 25.985 -9.059 -5.740 1.00 0.00 N ATOM 1611 CA LYS A 97 24.746 -9.394 -5.032 1.00 0.00 C ATOM 1612 C LYS A 97 23.649 -8.396 -5.400 1.00 0.00 C ATOM 1613 O LYS A 97 22.563 -8.800 -5.820 1.00 0.00 O ATOM 1614 CB LYS A 97 24.954 -9.401 -3.503 1.00 0.00 C ATOM 1615 CG LYS A 97 25.570 -10.687 -2.931 1.00 0.00 C ATOM 1616 CD LYS A 97 27.028 -10.936 -3.339 1.00 0.00 C ATOM 1617 CE LYS A 97 27.551 -12.161 -2.576 1.00 0.00 C ATOM 1618 NZ LYS A 97 28.900 -12.578 -3.022 1.00 0.00 N ATOM 0 H LYS A 97 26.771 -8.838 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 97 24.446 -10.397 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.595 -8.561 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.991 -9.233 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.513 -10.648 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.967 -11.536 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.096 -11.103 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.638 -10.061 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.579 -11.936 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 97 26.856 -12.990 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.205 -13.408 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.872 -12.821 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 29.572 -11.798 -2.872 1.00 0.00 H new ATOM 1632 N TYR A 98 23.929 -7.103 -5.237 1.00 0.00 N ATOM 1633 CA TYR A 98 22.939 -6.049 -5.370 1.00 0.00 C ATOM 1634 C TYR A 98 22.332 -6.019 -6.767 1.00 0.00 C ATOM 1635 O TYR A 98 21.108 -5.929 -6.878 1.00 0.00 O ATOM 1636 CB TYR A 98 23.545 -4.685 -5.000 1.00 0.00 C ATOM 1637 CG TYR A 98 23.320 -4.255 -3.560 1.00 0.00 C ATOM 1638 CD1 TYR A 98 22.044 -3.810 -3.164 1.00 0.00 C ATOM 1639 CD2 TYR A 98 24.374 -4.255 -2.628 1.00 0.00 C ATOM 1640 CE1 TYR A 98 21.819 -3.373 -1.846 1.00 0.00 C ATOM 1641 CE2 TYR A 98 24.160 -3.823 -1.307 1.00 0.00 C ATOM 1642 CZ TYR A 98 22.877 -3.379 -0.908 1.00 0.00 C ATOM 1643 OH TYR A 98 22.649 -2.956 0.367 1.00 0.00 O ATOM 0 H TYR A 98 24.862 -6.760 -5.006 1.00 0.00 H new ATOM 0 HA TYR A 98 22.130 -6.265 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.618 -4.716 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.125 -3.926 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 98 21.233 -3.804 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 98 25.356 -4.590 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 98 20.838 -3.033 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 98 24.974 -3.830 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 98 23.477 -3.023 0.887 1.00 0.00 H new ATOM 1653 N LEU A 99 23.135 -6.090 -7.836 1.00 0.00 N ATOM 1654 CA LEU A 99 22.594 -5.840 -9.165 1.00 0.00 C ATOM 1655 C LEU A 99 22.020 -7.111 -9.763 1.00 0.00 C ATOM 1656 O LEU A 99 21.111 -7.002 -10.581 1.00 0.00 O ATOM 1657 CB LEU A 99 23.601 -5.134 -10.087 1.00 0.00 C ATOM 1658 CG LEU A 99 23.643 -3.601 -9.966 1.00 0.00 C ATOM 1659 CD1 LEU A 99 22.295 -2.938 -10.284 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.117 -3.137 -8.584 1.00 0.00 C ATOM 0 H LEU A 99 24.130 -6.312 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 99 21.767 -5.138 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.596 -5.526 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.367 -5.394 -11.119 1.00 0.00 H new ATOM 0 HG LEU A 99 24.368 -3.282 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.388 -1.857 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.002 -3.182 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.537 -3.304 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.129 -2.048 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.438 -3.516 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.122 -3.517 -8.397 1.00 0.00 H new ATOM 1672 N ASP A 100 22.457 -8.299 -9.334 1.00 0.00 N ATOM 1673 CA ASP A 100 21.779 -9.534 -9.714 1.00 0.00 C ATOM 1674 C ASP A 100 20.368 -9.545 -9.120 1.00 0.00 C ATOM 1675 O ASP A 100 19.411 -9.880 -9.814 1.00 0.00 O ATOM 1676 CB ASP A 100 22.559 -10.760 -9.234 1.00 0.00 C ATOM 1677 CG ASP A 100 21.791 -12.049 -9.563 1.00 0.00 C ATOM 1678 OD1 ASP A 100 21.742 -12.439 -10.752 1.00 0.00 O ATOM 1679 OD2 ASP A 100 21.264 -12.699 -8.633 1.00 0.00 O ATOM 0 H ASP A 100 23.269 -8.428 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 100 21.719 -9.577 -10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.540 -10.783 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 100 22.727 -10.694 -8.159 1.00 0.00 H new ATOM 1684 N ASP A 101 20.218 -9.116 -7.861 1.00 0.00 N ATOM 1685 CA ASP A 101 18.914 -9.047 -7.203 1.00 0.00 C ATOM 1686 C ASP A 101 18.020 -7.973 -7.828 1.00 0.00 C ATOM 1687 O ASP A 101 16.842 -8.222 -8.084 1.00 0.00 O ATOM 1688 CB ASP A 101 19.088 -8.779 -5.706 1.00 0.00 C ATOM 1689 CG ASP A 101 17.723 -8.696 -5.004 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.053 -9.743 -4.857 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.337 -7.595 -4.554 1.00 0.00 O ATOM 0 H ASP A 101 20.994 -8.809 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 101 18.424 -10.011 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.685 -9.573 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.634 -7.847 -5.560 1.00 0.00 H new ATOM 1696 N LEU A 102 18.565 -6.791 -8.130 1.00 0.00 N ATOM 1697 CA LEU A 102 17.794 -5.717 -8.756 1.00 0.00 C ATOM 1698 C LEU A 102 17.381 -6.103 -10.181 1.00 0.00 C ATOM 1699 O LEU A 102 16.227 -5.909 -10.566 1.00 0.00 O ATOM 1700 CB LEU A 102 18.597 -4.409 -8.700 1.00 0.00 C ATOM 1701 CG LEU A 102 17.871 -3.174 -9.273 1.00 0.00 C ATOM 1702 CD1 LEU A 102 16.426 -2.989 -8.785 1.00 0.00 C ATOM 1703 CD2 LEU A 102 18.678 -1.932 -8.878 1.00 0.00 C ATOM 0 H LEU A 102 19.541 -6.555 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 102 16.868 -5.558 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 102 18.862 -4.207 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.530 -4.549 -9.246 1.00 0.00 H new ATOM 0 HG LEU A 102 17.807 -3.322 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.999 -2.096 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.833 -3.859 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.419 -2.881 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 102 18.189 -1.040 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 102 18.736 -1.866 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 102 19.684 -2.005 -9.291 1.00 0.00 H new ATOM 1715 N LYS A 103 18.278 -6.729 -10.954 1.00 0.00 N ATOM 1716 CA LYS A 103 17.925 -7.319 -12.243 1.00 0.00 C ATOM 1717 C LYS A 103 16.802 -8.338 -12.055 1.00 0.00 C ATOM 1718 O LYS A 103 15.856 -8.334 -12.840 1.00 0.00 O ATOM 1719 CB LYS A 103 19.175 -7.961 -12.871 1.00 0.00 C ATOM 1720 CG LYS A 103 18.885 -8.858 -14.083 1.00 0.00 C ATOM 1721 CD LYS A 103 20.190 -9.277 -14.779 1.00 0.00 C ATOM 1722 CE LYS A 103 19.974 -10.417 -15.786 1.00 0.00 C ATOM 1723 NZ LYS A 103 19.742 -11.732 -15.134 1.00 0.00 N ATOM 0 H LYS A 103 19.260 -6.838 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 103 17.563 -6.547 -12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.861 -7.170 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.686 -8.552 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.338 -9.745 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.246 -8.327 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.617 -8.416 -15.294 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.915 -9.591 -14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.121 -10.177 -16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.845 -10.489 -16.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.889 -12.494 -15.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.408 -11.850 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.767 -11.774 -14.775 1.00 0.00 H new ATOM 1737 N ALA A 104 16.876 -9.188 -11.026 1.00 0.00 N ATOM 1738 CA ALA A 104 15.860 -10.200 -10.782 1.00 0.00 C ATOM 1739 C ALA A 104 14.494 -9.561 -10.516 1.00 0.00 C ATOM 1740 O ALA A 104 13.499 -10.078 -11.016 1.00 0.00 O ATOM 1741 CB ALA A 104 16.267 -11.146 -9.647 1.00 0.00 C ATOM 0 H ALA A 104 17.638 -9.189 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 104 15.773 -10.801 -11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.484 -11.888 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.198 -11.649 -9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.410 -10.574 -8.730 1.00 0.00 H new ATOM 1747 N GLN A 105 14.413 -8.430 -9.804 1.00 0.00 N ATOM 1748 CA GLN A 105 13.137 -7.733 -9.622 1.00 0.00 C ATOM 1749 C GLN A 105 12.538 -7.330 -10.974 1.00 0.00 C ATOM 1750 O GLN A 105 11.347 -7.540 -11.209 1.00 0.00 O ATOM 1751 CB GLN A 105 13.286 -6.490 -8.732 1.00 0.00 C ATOM 1752 CG GLN A 105 13.548 -6.822 -7.259 1.00 0.00 C ATOM 1753 CD GLN A 105 13.503 -5.559 -6.396 1.00 0.00 C ATOM 1754 OE1 GLN A 105 14.517 -5.094 -5.883 1.00 0.00 O ATOM 1755 NE2 GLN A 105 12.330 -4.969 -6.220 1.00 0.00 N ATOM 0 H GLN A 105 15.209 -7.983 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 105 12.463 -8.430 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.105 -5.878 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.379 -5.889 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 105 12.804 -7.535 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.522 -7.301 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.492 -5.361 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 105 12.265 -4.122 -5.655 1.00 0.00 H new ATOM 1764 N PHE A 106 13.350 -6.793 -11.887 1.00 0.00 N ATOM 1765 CA PHE A 106 12.884 -6.454 -13.229 1.00 0.00 C ATOM 1766 C PHE A 106 12.494 -7.710 -14.021 1.00 0.00 C ATOM 1767 O PHE A 106 11.489 -7.683 -14.732 1.00 0.00 O ATOM 1768 CB PHE A 106 13.925 -5.576 -13.935 1.00 0.00 C ATOM 1769 CG PHE A 106 14.016 -4.161 -13.380 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.882 -3.324 -13.421 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.218 -3.672 -12.821 1.00 0.00 C ATOM 1772 CE1 PHE A 106 12.949 -2.020 -12.906 1.00 0.00 C ATOM 1773 CE2 PHE A 106 15.285 -2.355 -12.322 1.00 0.00 C ATOM 1774 CZ PHE A 106 14.153 -1.529 -12.384 1.00 0.00 C ATOM 0 H PHE A 106 14.334 -6.584 -11.719 1.00 0.00 H new ATOM 0 HA PHE A 106 11.969 -5.866 -13.159 1.00 0.00 H new ATOM 0 HB2 PHE A 106 14.902 -6.051 -13.853 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.683 -5.525 -14.997 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.960 -3.687 -13.850 1.00 0.00 H new ATOM 0 HD2 PHE A 106 16.089 -4.309 -12.776 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.070 -1.393 -12.912 1.00 0.00 H new ATOM 0 HE2 PHE A 106 16.204 -1.984 -11.894 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.210 -0.511 -12.028 1.00 0.00 H new ATOM 1784 N GLN A 107 13.214 -8.822 -13.848 1.00 0.00 N ATOM 1785 CA GLN A 107 12.821 -10.107 -14.426 1.00 0.00 C ATOM 1786 C GLN A 107 11.467 -10.585 -13.884 1.00 0.00 C ATOM 1787 O GLN A 107 10.697 -11.168 -14.645 1.00 0.00 O ATOM 1788 CB GLN A 107 13.885 -11.195 -14.213 1.00 0.00 C ATOM 1789 CG GLN A 107 15.133 -10.983 -15.076 1.00 0.00 C ATOM 1790 CD GLN A 107 16.131 -12.122 -14.883 1.00 0.00 C ATOM 1791 OE1 GLN A 107 17.120 -11.986 -14.169 1.00 0.00 O ATOM 1792 NE2 GLN A 107 15.910 -13.265 -15.510 1.00 0.00 N ATOM 0 H GLN A 107 14.078 -8.856 -13.308 1.00 0.00 H new ATOM 0 HA GLN A 107 12.726 -9.936 -15.498 1.00 0.00 H new ATOM 0 HB2 GLN A 107 14.174 -11.213 -13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.452 -12.169 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.847 -10.919 -16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 107 15.603 -10.035 -14.815 1.00 0.00 H new ATOM 0 HE21 GLN A 107 15.086 -13.371 -16.102 1.00 0.00 H new ATOM 0 HE22 GLN A 107 16.563 -14.041 -15.402 1.00 0.00 H new ATOM 1801 N GLU A 108 11.118 -10.333 -12.618 1.00 0.00 N ATOM 1802 CA GLU A 108 9.811 -10.726 -12.085 1.00 0.00 C ATOM 1803 C GLU A 108 8.680 -9.924 -12.739 1.00 0.00 C ATOM 1804 O GLU A 108 7.559 -10.423 -12.822 1.00 0.00 O ATOM 1805 CB GLU A 108 9.754 -10.575 -10.555 1.00 0.00 C ATOM 1806 CG GLU A 108 10.615 -11.616 -9.826 1.00 0.00 C ATOM 1807 CD GLU A 108 10.441 -11.520 -8.300 1.00 0.00 C ATOM 1808 OE1 GLU A 108 11.128 -10.701 -7.649 1.00 0.00 O ATOM 1809 OE2 GLU A 108 9.625 -12.279 -7.729 1.00 0.00 O ATOM 0 H GLU A 108 11.721 -9.860 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 108 9.672 -11.780 -12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.089 -9.575 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.720 -10.667 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.342 -12.616 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.664 -11.468 -10.084 1.00 0.00 H new ATOM 1816 N LEU A 109 8.959 -8.709 -13.232 1.00 0.00 N ATOM 1817 CA LEU A 109 7.993 -7.870 -13.944 1.00 0.00 C ATOM 1818 C LEU A 109 7.920 -8.213 -15.437 1.00 0.00 C ATOM 1819 O LEU A 109 7.127 -7.595 -16.153 1.00 0.00 O ATOM 1820 CB LEU A 109 8.357 -6.380 -13.781 1.00 0.00 C ATOM 1821 CG LEU A 109 8.269 -5.814 -12.350 1.00 0.00 C ATOM 1822 CD1 LEU A 109 8.671 -4.334 -12.379 1.00 0.00 C ATOM 1823 CD2 LEU A 109 6.858 -5.946 -11.761 1.00 0.00 C ATOM 0 H LEU A 109 9.879 -8.277 -13.144 1.00 0.00 H new ATOM 0 HA LEU A 109 7.015 -8.065 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.373 -6.233 -14.146 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.700 -5.794 -14.423 1.00 0.00 H new ATOM 0 HG LEU A 109 8.944 -6.389 -11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.613 -3.921 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.691 -4.241 -12.751 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.995 -3.786 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.845 -5.534 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.151 -5.400 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.575 -6.998 -11.727 1.00 0.00 H new ATOM 1835 N ASP A 110 8.738 -9.150 -15.929 1.00 0.00 N ATOM 1836 CA ASP A 110 8.912 -9.412 -17.358 1.00 0.00 C ATOM 1837 C ASP A 110 7.576 -9.635 -18.059 1.00 0.00 C ATOM 1838 O ASP A 110 7.169 -8.830 -18.899 1.00 0.00 O ATOM 1839 CB ASP A 110 9.851 -10.604 -17.581 1.00 0.00 C ATOM 1840 CG ASP A 110 9.892 -11.017 -19.058 1.00 0.00 C ATOM 1841 OD1 ASP A 110 10.438 -10.257 -19.886 1.00 0.00 O ATOM 1842 OD2 ASP A 110 9.374 -12.109 -19.384 1.00 0.00 O ATOM 0 H ASP A 110 9.305 -9.755 -15.335 1.00 0.00 H new ATOM 0 HA ASP A 110 9.367 -8.526 -17.800 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.855 -10.345 -17.246 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.521 -11.448 -16.975 1.00 0.00 H new ATOM 2059 N GLY A 125 18.128 -2.296 -21.219 1.00 0.00 N ATOM 2060 CA GLY A 125 17.419 -2.522 -19.965 1.00 0.00 C ATOM 2061 C GLY A 125 18.181 -3.541 -19.131 1.00 0.00 C ATOM 2062 O GLY A 125 19.375 -3.366 -18.893 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.322 -1.586 -19.416 1.00 0.00 H new ATOM 0 HA3 GLY A 125 16.409 -2.881 -20.165 1.00 0.00 H new ATOM 2066 N ILE A 126 17.526 -4.625 -18.707 1.00 0.00 N ATOM 2067 CA ILE A 126 18.209 -5.701 -17.990 1.00 0.00 C ATOM 2068 C ILE A 126 19.351 -6.340 -18.792 1.00 0.00 C ATOM 2069 O ILE A 126 20.211 -6.953 -18.167 1.00 0.00 O ATOM 2070 CB ILE A 126 17.236 -6.729 -17.356 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.046 -7.130 -18.257 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.756 -6.187 -15.998 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.112 -8.157 -17.599 1.00 0.00 C ATOM 0 H ILE A 126 16.528 -4.779 -18.848 1.00 0.00 H new ATOM 0 HA ILE A 126 18.700 -5.220 -17.144 1.00 0.00 H new ATOM 0 HB ILE A 126 17.794 -7.656 -17.222 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.474 -6.238 -18.511 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.428 -7.541 -19.192 1.00 0.00 H new ATOM 0 HG21 ILE A 126 16.071 -6.902 -15.543 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.614 -6.038 -15.342 1.00 0.00 H new ATOM 0 HG23 ILE A 126 16.243 -5.237 -16.146 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.297 -8.397 -18.282 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.672 -9.063 -17.369 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.703 -7.740 -16.679 1.00 0.00 H new ATOM 2085 N LEU A 127 19.452 -6.160 -20.116 1.00 0.00 N ATOM 2086 CA LEU A 127 20.647 -6.565 -20.866 1.00 0.00 C ATOM 2087 C LEU A 127 21.866 -5.747 -20.417 1.00 0.00 C ATOM 2088 O LEU A 127 22.943 -6.305 -20.200 1.00 0.00 O ATOM 2089 CB LEU A 127 20.369 -6.393 -22.370 1.00 0.00 C ATOM 2090 CG LEU A 127 21.461 -6.837 -23.367 1.00 0.00 C ATOM 2091 CD1 LEU A 127 22.600 -5.823 -23.543 1.00 0.00 C ATOM 2092 CD2 LEU A 127 22.026 -8.227 -23.058 1.00 0.00 C ATOM 0 H LEU A 127 18.721 -5.737 -20.688 1.00 0.00 H new ATOM 0 HA LEU A 127 20.875 -7.612 -20.668 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.458 -6.944 -22.606 1.00 0.00 H new ATOM 0 HB3 LEU A 127 20.160 -5.339 -22.552 1.00 0.00 H new ATOM 0 HG LEU A 127 20.936 -6.890 -24.321 1.00 0.00 H new ATOM 0 HD11 LEU A 127 23.325 -6.211 -24.259 1.00 0.00 H new ATOM 0 HD12 LEU A 127 22.194 -4.881 -23.911 1.00 0.00 H new ATOM 0 HD13 LEU A 127 23.091 -5.657 -22.584 1.00 0.00 H new ATOM 0 HD21 LEU A 127 22.789 -8.482 -23.794 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.469 -8.227 -22.062 1.00 0.00 H new ATOM 0 HD23 LEU A 127 21.223 -8.963 -23.098 1.00 0.00 H new ATOM 2104 N LEU A 128 21.699 -4.432 -20.238 1.00 0.00 N ATOM 2105 CA LEU A 128 22.758 -3.571 -19.709 1.00 0.00 C ATOM 2106 C LEU A 128 23.118 -4.034 -18.302 1.00 0.00 C ATOM 2107 O LEU A 128 24.296 -4.183 -17.992 1.00 0.00 O ATOM 2108 CB LEU A 128 22.336 -2.088 -19.740 1.00 0.00 C ATOM 2109 CG LEU A 128 23.367 -1.047 -19.236 1.00 0.00 C ATOM 2110 CD1 LEU A 128 23.455 -0.933 -17.706 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.772 -1.257 -19.818 1.00 0.00 C ATOM 0 H LEU A 128 20.832 -3.939 -20.454 1.00 0.00 H new ATOM 0 HA LEU A 128 23.644 -3.652 -20.339 1.00 0.00 H new ATOM 0 HB2 LEU A 128 22.073 -1.833 -20.767 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.430 -1.982 -19.143 1.00 0.00 H new ATOM 0 HG LEU A 128 22.972 -0.103 -19.610 1.00 0.00 H new ATOM 0 HD11 LEU A 128 24.200 -0.183 -17.439 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.484 -0.639 -17.307 1.00 0.00 H new ATOM 0 HD13 LEU A 128 23.744 -1.896 -17.285 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.446 -0.496 -19.425 1.00 0.00 H new ATOM 0 HD22 LEU A 128 25.138 -2.245 -19.538 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.731 -1.180 -20.905 1.00 0.00 H new ATOM 2123 N ILE A 129 22.120 -4.312 -17.462 1.00 0.00 N ATOM 2124 CA ILE A 129 22.355 -4.701 -16.073 1.00 0.00 C ATOM 2125 C ILE A 129 23.067 -6.067 -16.035 1.00 0.00 C ATOM 2126 O ILE A 129 23.986 -6.262 -15.240 1.00 0.00 O ATOM 2127 CB ILE A 129 21.034 -4.661 -15.263 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.329 -3.285 -15.402 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.346 -4.915 -13.775 1.00 0.00 C ATOM 2130 CD1 ILE A 129 18.869 -3.238 -14.926 1.00 0.00 C ATOM 0 H ILE A 129 21.135 -4.274 -17.723 1.00 0.00 H new ATOM 0 HA ILE A 129 23.018 -3.985 -15.588 1.00 0.00 H new ATOM 0 HB ILE A 129 20.369 -5.431 -15.654 1.00 0.00 H new ATOM 0 HG12 ILE A 129 20.900 -2.546 -14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.361 -2.984 -16.449 1.00 0.00 H new ATOM 0 HG21 ILE A 129 20.421 -4.888 -13.199 1.00 0.00 H new ATOM 0 HG22 ILE A 129 21.815 -5.893 -13.663 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.024 -4.144 -13.409 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.472 -2.233 -15.067 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.275 -3.947 -15.503 1.00 0.00 H new ATOM 0 HD13 ILE A 129 18.822 -3.501 -13.869 1.00 0.00 H new ATOM 2142 N ASP A 130 22.713 -6.994 -16.928 1.00 0.00 N ATOM 2143 CA ASP A 130 23.399 -8.275 -17.078 1.00 0.00 C ATOM 2144 C ASP A 130 24.850 -8.073 -17.507 1.00 0.00 C ATOM 2145 O ASP A 130 25.734 -8.766 -17.011 1.00 0.00 O ATOM 2146 CB ASP A 130 22.689 -9.150 -18.115 1.00 0.00 C ATOM 2147 CG ASP A 130 23.388 -10.513 -18.242 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.250 -11.347 -17.321 1.00 0.00 O ATOM 2149 OD2 ASP A 130 24.039 -10.771 -19.280 1.00 0.00 O ATOM 0 H ASP A 130 21.933 -6.873 -17.574 1.00 0.00 H new ATOM 0 HA ASP A 130 23.379 -8.772 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.648 -9.295 -17.825 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.684 -8.646 -19.082 1.00 0.00 H new ATOM 2154 N SER A 131 25.107 -7.103 -18.387 1.00 0.00 N ATOM 2155 CA SER A 131 26.453 -6.771 -18.841 1.00 0.00 C ATOM 2156 C SER A 131 27.265 -6.106 -17.718 1.00 0.00 C ATOM 2157 O SER A 131 28.466 -6.352 -17.598 1.00 0.00 O ATOM 2158 CB SER A 131 26.367 -5.861 -20.075 1.00 0.00 C ATOM 2159 OG SER A 131 25.548 -6.437 -21.080 1.00 0.00 O ATOM 0 H SER A 131 24.380 -6.523 -18.806 1.00 0.00 H new ATOM 0 HA SER A 131 26.972 -7.690 -19.115 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.965 -4.890 -19.787 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.367 -5.687 -20.472 1.00 0.00 H new ATOM 0 HG SER A 131 24.605 -6.293 -20.856 1.00 0.00 H new ATOM 2165 N GLU A 132 26.618 -5.305 -16.868 1.00 0.00 N ATOM 2166 CA GLU A 132 27.239 -4.700 -15.697 1.00 0.00 C ATOM 2167 C GLU A 132 27.673 -5.814 -14.739 1.00 0.00 C ATOM 2168 O GLU A 132 28.818 -5.838 -14.283 1.00 0.00 O ATOM 2169 CB GLU A 132 26.251 -3.718 -15.039 1.00 0.00 C ATOM 2170 CG GLU A 132 26.897 -2.809 -13.984 1.00 0.00 C ATOM 2171 CD GLU A 132 27.936 -1.853 -14.592 1.00 0.00 C ATOM 2172 OE1 GLU A 132 27.611 -1.106 -15.540 1.00 0.00 O ATOM 2173 OE2 GLU A 132 29.115 -1.878 -14.177 1.00 0.00 O ATOM 0 H GLU A 132 25.635 -5.058 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 132 28.125 -4.130 -15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.799 -3.098 -15.813 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.445 -4.285 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 132 26.121 -2.228 -13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.375 -3.424 -13.222 1.00 0.00 H new ATOM 2180 N ILE A 133 26.783 -6.774 -14.477 1.00 0.00 N ATOM 2181 CA ILE A 133 27.086 -7.938 -13.657 1.00 0.00 C ATOM 2182 C ILE A 133 28.180 -8.793 -14.305 1.00 0.00 C ATOM 2183 O ILE A 133 29.094 -9.217 -13.597 1.00 0.00 O ATOM 2184 CB ILE A 133 25.774 -8.700 -13.333 1.00 0.00 C ATOM 2185 CG1 ILE A 133 24.955 -7.976 -12.239 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.003 -10.152 -12.882 1.00 0.00 C ATOM 2187 CD1 ILE A 133 25.736 -7.691 -10.951 1.00 0.00 C ATOM 0 H ILE A 133 25.827 -6.761 -14.832 1.00 0.00 H new ATOM 0 HA ILE A 133 27.505 -7.630 -12.699 1.00 0.00 H new ATOM 0 HB ILE A 133 25.222 -8.718 -14.273 1.00 0.00 H new ATOM 0 HG12 ILE A 133 24.586 -7.033 -12.642 1.00 0.00 H new ATOM 0 HG13 ILE A 133 24.082 -8.582 -11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.043 -10.624 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.513 -10.702 -13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 133 26.616 -10.161 -11.981 1.00 0.00 H new ATOM 0 HD11 ILE A 133 25.088 -7.182 -10.238 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.082 -8.630 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 133 26.594 -7.058 -11.178 1.00 0.00 H new ATOM 2199 N ALA A 134 28.155 -9.006 -15.625 1.00 0.00 N ATOM 2200 CA ALA A 134 29.189 -9.765 -16.313 1.00 0.00 C ATOM 2201 C ALA A 134 30.556 -9.113 -16.109 1.00 0.00 C ATOM 2202 O ALA A 134 31.501 -9.797 -15.726 1.00 0.00 O ATOM 2203 CB ALA A 134 28.855 -9.901 -17.803 1.00 0.00 C ATOM 0 H ALA A 134 27.419 -8.657 -16.238 1.00 0.00 H new ATOM 0 HA ALA A 134 29.228 -10.767 -15.886 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.639 -10.471 -18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 134 27.902 -10.418 -17.917 1.00 0.00 H new ATOM 0 HB3 ALA A 134 28.786 -8.910 -18.252 1.00 0.00 H new ATOM 2209 N ARG A 135 30.667 -7.792 -16.294 1.00 0.00 N ATOM 2210 CA ARG A 135 31.916 -7.075 -16.028 1.00 0.00 C ATOM 2211 C ARG A 135 32.307 -7.183 -14.554 1.00 0.00 C ATOM 2212 O ARG A 135 33.476 -7.431 -14.265 1.00 0.00 O ATOM 2213 CB ARG A 135 31.805 -5.610 -16.479 1.00 0.00 C ATOM 2214 CG ARG A 135 31.929 -5.480 -18.008 1.00 0.00 C ATOM 2215 CD ARG A 135 31.960 -4.023 -18.498 1.00 0.00 C ATOM 2216 NE ARG A 135 30.621 -3.404 -18.538 1.00 0.00 N ATOM 2217 CZ ARG A 135 30.029 -2.691 -17.570 1.00 0.00 C ATOM 2218 NH1 ARG A 135 30.640 -2.467 -16.410 1.00 0.00 N ATOM 2219 NH2 ARG A 135 28.806 -2.211 -17.762 1.00 0.00 N ATOM 0 H ARG A 135 29.906 -7.200 -16.627 1.00 0.00 H new ATOM 0 HA ARG A 135 32.711 -7.542 -16.609 1.00 0.00 H new ATOM 0 HB2 ARG A 135 30.849 -5.200 -16.154 1.00 0.00 H new ATOM 0 HB3 ARG A 135 32.585 -5.020 -15.998 1.00 0.00 H new ATOM 0 HG2 ARG A 135 32.838 -5.985 -18.335 1.00 0.00 H new ATOM 0 HG3 ARG A 135 31.091 -5.996 -18.478 1.00 0.00 H new ATOM 0 HD2 ARG A 135 32.606 -3.438 -17.843 1.00 0.00 H new ATOM 0 HD3 ARG A 135 32.401 -3.989 -19.494 1.00 0.00 H new ATOM 0 HE ARG A 135 30.087 -3.533 -19.397 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.575 -2.840 -16.246 1.00 0.00 H new ATOM 0 HH12 ARG A 135 30.174 -1.922 -15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 135 28.322 -2.386 -18.643 1.00 0.00 H new ATOM 0 HH22 ARG A 135 28.350 -1.668 -17.029 1.00 0.00 H new ATOM 2233 N THR A 136 31.357 -7.069 -13.626 1.00 0.00 N ATOM 2234 CA THR A 136 31.616 -7.213 -12.194 1.00 0.00 C ATOM 2235 C THR A 136 32.196 -8.603 -11.877 1.00 0.00 C ATOM 2236 O THR A 136 33.093 -8.723 -11.038 1.00 0.00 O ATOM 2237 CB THR A 136 30.319 -6.920 -11.411 1.00 0.00 C ATOM 2238 OG1 THR A 136 29.802 -5.648 -11.763 1.00 0.00 O ATOM 2239 CG2 THR A 136 30.523 -6.923 -9.892 1.00 0.00 C ATOM 0 H THR A 136 30.381 -6.873 -13.848 1.00 0.00 H new ATOM 0 HA THR A 136 32.370 -6.490 -11.881 1.00 0.00 H new ATOM 0 HB THR A 136 29.629 -7.720 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 136 29.313 -5.717 -12.609 1.00 0.00 H new ATOM 0 HG21 THR A 136 29.575 -6.711 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 136 30.887 -7.901 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 136 31.252 -6.160 -9.621 1.00 0.00 H new ATOM 2247 N TYR A 137 31.722 -9.654 -12.551 1.00 0.00 N ATOM 2248 CA TYR A 137 32.217 -11.012 -12.362 1.00 0.00 C ATOM 2249 C TYR A 137 33.575 -11.202 -13.049 1.00 0.00 C ATOM 2250 O TYR A 137 34.484 -11.793 -12.471 1.00 0.00 O ATOM 2251 CB TYR A 137 31.173 -11.998 -12.902 1.00 0.00 C ATOM 2252 CG TYR A 137 31.429 -13.435 -12.492 1.00 0.00 C ATOM 2253 CD1 TYR A 137 30.962 -13.898 -11.246 1.00 0.00 C ATOM 2254 CD2 TYR A 137 32.141 -14.306 -13.341 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.198 -15.225 -10.850 1.00 0.00 C ATOM 2256 CE2 TYR A 137 32.384 -15.634 -12.949 1.00 0.00 C ATOM 2257 CZ TYR A 137 31.913 -16.101 -11.700 1.00 0.00 C ATOM 2258 OH TYR A 137 32.138 -17.387 -11.303 1.00 0.00 O ATOM 0 H TYR A 137 30.979 -9.582 -13.247 1.00 0.00 H new ATOM 0 HA TYR A 137 32.371 -11.201 -11.300 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.186 -11.698 -12.550 1.00 0.00 H new ATOM 0 HB3 TYR A 137 31.156 -11.937 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 137 30.420 -13.230 -10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 137 32.501 -13.952 -14.296 1.00 0.00 H new ATOM 0 HE1 TYR A 137 30.833 -15.577 -9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 137 32.931 -16.298 -13.602 1.00 0.00 H new ATOM 0 HH TYR A 137 32.641 -17.861 -11.998 1.00 0.00 H new ATOM 2268 N LEU A 138 33.751 -10.652 -14.255 1.00 0.00 N ATOM 2269 CA LEU A 138 35.006 -10.730 -15.006 1.00 0.00 C ATOM 2270 C LEU A 138 36.140 -10.040 -14.243 1.00 0.00 C ATOM 2271 O LEU A 138 37.275 -10.513 -14.257 1.00 0.00 O ATOM 2272 CB LEU A 138 34.807 -10.096 -16.394 1.00 0.00 C ATOM 2273 CG LEU A 138 36.035 -10.179 -17.322 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.449 -11.629 -17.613 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.709 -9.473 -18.643 1.00 0.00 C ATOM 0 H LEU A 138 33.018 -10.135 -14.741 1.00 0.00 H new ATOM 0 HA LEU A 138 35.286 -11.776 -15.131 1.00 0.00 H new ATOM 0 HB2 LEU A 138 33.965 -10.584 -16.884 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.537 -9.048 -16.264 1.00 0.00 H new ATOM 0 HG LEU A 138 36.869 -9.694 -16.815 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.318 -11.634 -18.271 1.00 0.00 H new ATOM 0 HD12 LEU A 138 36.698 -12.131 -16.678 1.00 0.00 H new ATOM 0 HD13 LEU A 138 35.625 -12.153 -18.097 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.572 -9.526 -19.307 1.00 0.00 H new ATOM 0 HD22 LEU A 138 34.857 -9.961 -19.116 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.466 -8.429 -18.447 1.00 0.00 H new