USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 867 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 76 MET CE :methyl -121:sc= -0.181 (180deg=-2.05!) USER MOD Set 1.2: A 83 SER OG : rot 171:sc= -0.312 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -7.59! C(o=-13!,f=-15!) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.93! C(o=-13!,f=-22!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -50:sc= 0.262 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -2.98! USER MOD Single : A 42 THR OG1 : rot 71:sc= -0.131 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -6.17! C(o=-6.2!,f=-13!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.904 USER MOD Single : A 59 ASN : amide:sc= -0.677 K(o=-0.68,f=-1.3) USER MOD Single : A 60 GLN : amide:sc= -0.0734 X(o=-0.073,f=0.36) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 79:sc= -1.32 USER MOD Single : A 79 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.068) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= -0.0869 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.791 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 93 SER OG : rot 172:sc= 0.659 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0241 (180deg=-0.515) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 92:sc= 0.998 USER MOD Single : A 101 ASN : amide:sc= -0.58 K(o=-0.58,f=-5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0901 X(o=-0.09,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0539 USER MOD Single : A 118 ASN : amide:sc= 0.0176 X(o=0.018,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0076) USER MOD Single : A 124 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.3!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -58:sc= 0.174 USER MOD Single : A 130 SER OG : rot 180:sc= -0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -4.168 19.610 19.064 1.00 0.00 N ATOM 2 CA GLY A 18 -4.408 18.380 18.333 1.00 0.00 C ATOM 3 C GLY A 18 -5.840 18.261 17.853 1.00 0.00 C ATOM 4 O GLY A 18 -6.662 19.142 18.105 1.00 0.00 O ATOM 0 HA2 GLY A 18 -3.736 18.333 17.476 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.170 17.529 18.972 1.00 0.00 H new ATOM 8 N SER A 19 -6.141 17.170 17.155 1.00 0.00 N ATOM 9 CA SER A 19 -7.483 16.941 16.633 1.00 0.00 C ATOM 10 C SER A 19 -7.772 15.448 16.513 1.00 0.00 C ATOM 11 O SER A 19 -6.926 14.675 16.064 1.00 0.00 O ATOM 12 CB SER A 19 -7.644 17.616 15.268 1.00 0.00 C ATOM 13 OG SER A 19 -8.979 17.514 14.805 1.00 0.00 O ATOM 0 H SER A 19 -5.473 16.431 16.938 1.00 0.00 H new ATOM 0 HA SER A 19 -8.198 17.376 17.332 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.360 18.666 15.342 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.969 17.153 14.548 1.00 0.00 H new ATOM 0 HG SER A 19 -9.057 17.954 13.933 1.00 0.00 H new ATOM 19 N SER A 20 -8.975 15.051 16.917 1.00 0.00 N ATOM 20 CA SER A 20 -9.376 13.650 16.857 1.00 0.00 C ATOM 21 C SER A 20 -9.742 13.249 15.432 1.00 0.00 C ATOM 22 O SER A 20 -10.889 13.387 15.011 1.00 0.00 O ATOM 23 CB SER A 20 -10.562 13.398 17.791 1.00 0.00 C ATOM 24 OG SER A 20 -10.139 13.307 19.141 1.00 0.00 O ATOM 0 H SER A 20 -9.688 15.679 17.289 1.00 0.00 H new ATOM 0 HA SER A 20 -8.531 13.042 17.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.288 14.205 17.688 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.067 12.476 17.502 1.00 0.00 H new ATOM 0 HG SER A 20 -10.916 13.148 19.717 1.00 0.00 H new ATOM 30 N GLY A 21 -8.755 12.749 14.692 1.00 0.00 N ATOM 31 CA GLY A 21 -8.993 12.336 13.323 1.00 0.00 C ATOM 32 C GLY A 21 -8.118 11.168 12.909 1.00 0.00 C ATOM 33 O GLY A 21 -6.892 11.265 12.929 1.00 0.00 O ATOM 0 H GLY A 21 -7.797 12.623 15.017 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.041 12.060 13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.809 13.178 12.656 1.00 0.00 H new ATOM 37 N SER A 22 -8.751 10.060 12.536 1.00 0.00 N ATOM 38 CA SER A 22 -8.023 8.867 12.121 1.00 0.00 C ATOM 39 C SER A 22 -7.734 8.898 10.624 1.00 0.00 C ATOM 40 O SER A 22 -8.417 9.586 9.864 1.00 0.00 O ATOM 41 CB SER A 22 -8.820 7.609 12.473 1.00 0.00 C ATOM 42 OG SER A 22 -10.070 7.594 11.804 1.00 0.00 O ATOM 0 H SER A 22 -9.766 9.964 12.513 1.00 0.00 H new ATOM 0 HA SER A 22 -7.073 8.848 12.655 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.247 6.723 12.200 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.980 7.565 13.550 1.00 0.00 H new ATOM 0 HG SER A 22 -10.560 6.780 12.044 1.00 0.00 H new ATOM 48 N SER A 23 -6.719 8.148 10.207 1.00 0.00 N ATOM 49 CA SER A 23 -6.338 8.092 8.801 1.00 0.00 C ATOM 50 C SER A 23 -6.977 6.891 8.112 1.00 0.00 C ATOM 51 O SER A 23 -6.297 6.096 7.465 1.00 0.00 O ATOM 52 CB SER A 23 -4.816 8.020 8.666 1.00 0.00 C ATOM 53 OG SER A 23 -4.418 8.126 7.310 1.00 0.00 O ATOM 0 H SER A 23 -6.146 7.571 10.823 1.00 0.00 H new ATOM 0 HA SER A 23 -6.697 9.000 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.358 8.821 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.455 7.079 9.082 1.00 0.00 H new ATOM 0 HG SER A 23 -4.935 7.495 6.767 1.00 0.00 H new ATOM 59 N GLY A 24 -8.294 6.766 8.255 1.00 0.00 N ATOM 60 CA GLY A 24 -9.005 5.659 7.642 1.00 0.00 C ATOM 61 C GLY A 24 -8.221 4.363 7.697 1.00 0.00 C ATOM 62 O GLY A 24 -7.468 4.047 6.777 1.00 0.00 O ATOM 0 H GLY A 24 -8.880 7.411 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.962 5.523 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.224 5.903 6.603 1.00 0.00 H new ATOM 66 N ALA A 25 -8.395 3.613 8.780 1.00 0.00 N ATOM 67 CA ALA A 25 -7.697 2.345 8.952 1.00 0.00 C ATOM 68 C ALA A 25 -8.361 1.495 10.030 1.00 0.00 C ATOM 69 O ALA A 25 -9.371 1.889 10.612 1.00 0.00 O ATOM 70 CB ALA A 25 -6.236 2.589 9.294 1.00 0.00 C ATOM 0 H ALA A 25 -9.014 3.862 9.552 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.751 1.798 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.727 1.633 9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.762 3.149 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.170 3.160 10.220 1.00 0.00 H new ATOM 76 N LYS A 26 -7.787 0.325 10.292 1.00 0.00 N ATOM 77 CA LYS A 26 -8.321 -0.581 11.300 1.00 0.00 C ATOM 78 C LYS A 26 -7.741 -0.268 12.676 1.00 0.00 C ATOM 79 O LYS A 26 -8.474 0.061 13.609 1.00 0.00 O ATOM 80 CB LYS A 26 -8.015 -2.033 10.925 1.00 0.00 C ATOM 81 CG LYS A 26 -9.053 -2.656 10.009 1.00 0.00 C ATOM 82 CD LYS A 26 -10.173 -3.311 10.799 1.00 0.00 C ATOM 83 CE LYS A 26 -11.140 -4.052 9.888 1.00 0.00 C ATOM 84 NZ LYS A 26 -10.602 -5.375 9.468 1.00 0.00 N ATOM 0 H LYS A 26 -6.951 -0.017 9.819 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.401 -0.442 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.041 -2.076 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.943 -2.627 11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.468 -1.890 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.576 -3.398 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.750 -4.006 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.713 -2.551 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.090 -4.193 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.344 -3.446 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.290 -5.849 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.709 -5.239 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.431 -5.963 10.309 1.00 0.00 H new ATOM 98 N HIS A 27 -6.421 -0.370 12.793 1.00 0.00 N ATOM 99 CA HIS A 27 -5.742 -0.095 14.055 1.00 0.00 C ATOM 100 C HIS A 27 -5.164 1.317 14.064 1.00 0.00 C ATOM 101 O HIS A 27 -5.188 2.016 13.051 1.00 0.00 O ATOM 102 CB HIS A 27 -4.629 -1.115 14.294 1.00 0.00 C ATOM 103 CG HIS A 27 -3.917 -1.529 13.041 1.00 0.00 C ATOM 104 ND1 HIS A 27 -3.537 -0.634 12.063 1.00 0.00 N ATOM 105 CD2 HIS A 27 -3.516 -2.748 12.612 1.00 0.00 C ATOM 106 CE1 HIS A 27 -2.933 -1.287 11.085 1.00 0.00 C ATOM 107 NE2 HIS A 27 -2.908 -2.571 11.394 1.00 0.00 N ATOM 0 H HIS A 27 -5.800 -0.641 12.030 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.475 -0.175 14.858 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.905 -0.694 14.991 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.053 -1.999 14.770 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.649 -3.686 13.131 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.529 -0.846 10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.503 -3.311 10.821 1.00 0.00 H new ATOM 115 N THR A 28 -4.646 1.732 15.217 1.00 0.00 N ATOM 116 CA THR A 28 -4.064 3.060 15.358 1.00 0.00 C ATOM 117 C THR A 28 -2.590 3.060 14.968 1.00 0.00 C ATOM 118 O THR A 28 -1.833 3.947 15.363 1.00 0.00 O ATOM 119 CB THR A 28 -4.201 3.582 16.802 1.00 0.00 C ATOM 120 OG1 THR A 28 -5.510 3.296 17.304 1.00 0.00 O ATOM 121 CG2 THR A 28 -3.945 5.080 16.861 1.00 0.00 C ATOM 0 H THR A 28 -4.618 1.167 16.066 1.00 0.00 H new ATOM 0 HA THR A 28 -4.614 3.719 14.686 1.00 0.00 H new ATOM 0 HB THR A 28 -3.458 3.078 17.420 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.588 3.629 18.222 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.047 5.426 17.889 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.936 5.291 16.505 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.668 5.598 16.230 1.00 0.00 H new ATOM 129 N LEU A 29 -2.191 2.061 14.189 1.00 0.00 N ATOM 130 CA LEU A 29 -0.807 1.946 13.743 1.00 0.00 C ATOM 131 C LEU A 29 -0.529 2.889 12.578 1.00 0.00 C ATOM 132 O LEU A 29 0.611 3.300 12.354 1.00 0.00 O ATOM 133 CB LEU A 29 -0.501 0.504 13.331 1.00 0.00 C ATOM 134 CG LEU A 29 0.025 -0.412 14.436 1.00 0.00 C ATOM 135 CD1 LEU A 29 -1.113 -0.879 15.330 1.00 0.00 C ATOM 136 CD2 LEU A 29 0.759 -1.603 13.837 1.00 0.00 C ATOM 0 H LEU A 29 -2.806 1.319 13.853 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.160 2.226 14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.411 0.063 12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.232 0.525 12.525 1.00 0.00 H new ATOM 0 HG LEU A 29 0.729 0.154 15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.719 -1.530 16.110 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.595 -0.015 15.787 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.842 -1.428 14.734 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.127 -2.244 14.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.077 -2.169 13.203 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.600 -1.250 13.240 1.00 0.00 H new ATOM 148 N LEU A 30 -1.578 3.232 11.838 1.00 0.00 N ATOM 149 CA LEU A 30 -1.448 4.129 10.696 1.00 0.00 C ATOM 150 C LEU A 30 -1.276 5.573 11.155 1.00 0.00 C ATOM 151 O LEU A 30 -0.508 6.335 10.567 1.00 0.00 O ATOM 152 CB LEU A 30 -2.675 4.013 9.790 1.00 0.00 C ATOM 153 CG LEU A 30 -2.848 2.680 9.061 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.563 2.293 8.346 1.00 0.00 C ATOM 155 CD2 LEU A 30 -3.267 1.590 10.036 1.00 0.00 C ATOM 0 H LEU A 30 -2.528 2.902 12.009 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.560 3.837 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.565 4.193 10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.628 4.808 9.046 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.635 2.794 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.705 1.342 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.305 3.063 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.757 2.196 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.386 0.648 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.503 1.476 10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.213 1.863 10.503 1.00 0.00 H new ATOM 167 N ARG A 31 -1.996 5.943 12.211 1.00 0.00 N ATOM 168 CA ARG A 31 -1.921 7.296 12.750 1.00 0.00 C ATOM 169 C ARG A 31 -0.644 7.488 13.562 1.00 0.00 C ATOM 170 O ARG A 31 0.268 8.203 13.145 1.00 0.00 O ATOM 171 CB ARG A 31 -3.143 7.587 13.624 1.00 0.00 C ATOM 172 CG ARG A 31 -3.379 9.068 13.865 1.00 0.00 C ATOM 173 CD ARG A 31 -2.537 9.586 15.021 1.00 0.00 C ATOM 174 NE ARG A 31 -3.097 9.211 16.316 1.00 0.00 N ATOM 175 CZ ARG A 31 -2.835 9.860 17.446 1.00 0.00 C ATOM 176 NH1 ARG A 31 -2.026 10.911 17.438 1.00 0.00 N ATOM 177 NH2 ARG A 31 -3.382 9.457 18.586 1.00 0.00 N ATOM 0 H ARG A 31 -2.637 5.325 12.709 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.906 7.994 11.913 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.027 7.159 13.152 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.020 7.086 14.584 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.140 9.627 12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.434 9.240 14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.524 9.193 14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.464 10.672 14.958 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.724 8.407 16.356 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.604 11.223 16.564 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.826 11.408 18.306 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.004 8.649 18.595 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.180 9.956 19.453 1.00 0.00 H new ATOM 191 N HIS A 32 -0.586 6.845 14.724 1.00 0.00 N ATOM 192 CA HIS A 32 0.579 6.946 15.595 1.00 0.00 C ATOM 193 C HIS A 32 1.863 7.047 14.777 1.00 0.00 C ATOM 194 O HIS A 32 2.559 8.060 14.820 1.00 0.00 O ATOM 195 CB HIS A 32 0.650 5.737 16.529 1.00 0.00 C ATOM 196 CG HIS A 32 2.043 5.390 16.956 1.00 0.00 C ATOM 197 ND1 HIS A 32 2.683 4.232 16.568 1.00 0.00 N ATOM 198 CD2 HIS A 32 2.921 6.059 17.740 1.00 0.00 C ATOM 199 CE1 HIS A 32 3.893 4.202 17.097 1.00 0.00 C ATOM 200 NE2 HIS A 32 4.063 5.299 17.812 1.00 0.00 N ATOM 0 H HIS A 32 -1.332 6.249 15.084 1.00 0.00 H new ATOM 0 HA HIS A 32 0.477 7.852 16.192 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.047 5.937 17.415 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.207 4.876 16.029 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.755 7.012 18.219 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.620 3.414 16.967 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.905 5.542 18.333 1.00 0.00 H new ATOM 208 N GLU A 33 2.170 5.989 14.033 1.00 0.00 N ATOM 209 CA GLU A 33 3.370 5.959 13.205 1.00 0.00 C ATOM 210 C GLU A 33 3.663 7.339 12.622 1.00 0.00 C ATOM 211 O GLU A 33 4.704 7.933 12.899 1.00 0.00 O ATOM 212 CB GLU A 33 3.214 4.939 12.076 1.00 0.00 C ATOM 213 CG GLU A 33 3.198 3.497 12.557 1.00 0.00 C ATOM 214 CD GLU A 33 4.591 2.945 12.788 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.536 3.751 12.922 1.00 0.00 O ATOM 216 OE2 GLU A 33 4.737 1.705 12.835 1.00 0.00 O ATOM 0 H GLU A 33 1.604 5.141 13.987 1.00 0.00 H new ATOM 0 HA GLU A 33 4.208 5.664 13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.289 5.144 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.031 5.067 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.627 3.433 13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.683 2.878 11.822 1.00 0.00 H new ATOM 223 N GLY A 34 2.736 7.841 11.811 1.00 0.00 N ATOM 224 CA GLY A 34 2.913 9.146 11.201 1.00 0.00 C ATOM 225 C GLY A 34 2.801 9.098 9.690 1.00 0.00 C ATOM 226 O GLY A 34 3.699 9.549 8.980 1.00 0.00 O ATOM 0 H GLY A 34 1.866 7.367 11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.165 9.833 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.889 9.544 11.478 1.00 0.00 H new ATOM 230 N ILE A 35 1.694 8.551 9.199 1.00 0.00 N ATOM 231 CA ILE A 35 1.468 8.447 7.762 1.00 0.00 C ATOM 232 C ILE A 35 0.331 9.361 7.317 1.00 0.00 C ATOM 233 O ILE A 35 -0.791 9.258 7.812 1.00 0.00 O ATOM 234 CB ILE A 35 1.141 7.000 7.347 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.278 6.061 7.752 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.890 6.923 5.849 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.948 4.597 7.564 1.00 0.00 C ATOM 0 H ILE A 35 0.941 8.174 9.774 1.00 0.00 H new ATOM 0 HA ILE A 35 2.392 8.756 7.274 1.00 0.00 H new ATOM 0 HB ILE A 35 0.234 6.685 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.165 6.303 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.529 6.237 8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.660 5.894 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.050 7.566 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.780 7.253 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.799 3.990 7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.080 4.339 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.726 4.406 6.514 1.00 0.00 H new ATOM 249 N GLU A 36 0.630 10.253 6.378 1.00 0.00 N ATOM 250 CA GLU A 36 -0.368 11.185 5.865 1.00 0.00 C ATOM 251 C GLU A 36 -0.833 10.772 4.471 1.00 0.00 C ATOM 252 O GLU A 36 -0.039 10.709 3.533 1.00 0.00 O ATOM 253 CB GLU A 36 0.201 12.605 5.824 1.00 0.00 C ATOM 254 CG GLU A 36 0.492 13.184 7.199 1.00 0.00 C ATOM 255 CD GLU A 36 0.485 14.700 7.206 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.547 15.299 6.933 1.00 0.00 O ATOM 257 OE2 GLU A 36 -0.581 15.287 7.487 1.00 0.00 O ATOM 0 H GLU A 36 1.554 10.350 5.957 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.226 11.164 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.120 12.602 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.505 13.255 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.250 12.818 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.463 12.827 7.541 1.00 0.00 H new ATOM 264 N THR A 37 -2.126 10.490 4.345 1.00 0.00 N ATOM 265 CA THR A 37 -2.698 10.080 3.069 1.00 0.00 C ATOM 266 C THR A 37 -3.692 11.115 2.555 1.00 0.00 C ATOM 267 O THR A 37 -4.379 11.772 3.337 1.00 0.00 O ATOM 268 CB THR A 37 -3.406 8.717 3.181 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.688 8.881 3.797 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.569 7.739 3.991 1.00 0.00 C ATOM 0 H THR A 37 -2.797 10.538 5.112 1.00 0.00 H new ATOM 0 HA THR A 37 -1.870 9.993 2.365 1.00 0.00 H new ATOM 0 HB THR A 37 -3.535 8.315 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.133 8.010 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.089 6.783 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.605 7.595 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.413 8.137 4.994 1.00 0.00 H new ATOM 278 N VAL A 38 -3.764 11.256 1.234 1.00 0.00 N ATOM 279 CA VAL A 38 -4.676 12.211 0.616 1.00 0.00 C ATOM 280 C VAL A 38 -6.018 11.561 0.298 1.00 0.00 C ATOM 281 O VAL A 38 -6.204 10.362 0.504 1.00 0.00 O ATOM 282 CB VAL A 38 -4.081 12.796 -0.679 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.942 13.752 -0.359 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.611 11.682 -1.601 1.00 0.00 C ATOM 0 H VAL A 38 -3.202 10.721 0.572 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.827 13.017 1.334 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.860 13.357 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.534 14.155 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.315 14.569 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.159 13.218 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.194 12.114 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.847 11.090 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.455 11.042 -1.858 1.00 0.00 H new ATOM 294 N SER A 39 -6.952 12.362 -0.207 1.00 0.00 N ATOM 295 CA SER A 39 -8.279 11.865 -0.551 1.00 0.00 C ATOM 296 C SER A 39 -8.378 11.571 -2.045 1.00 0.00 C ATOM 297 O SER A 39 -9.098 10.664 -2.464 1.00 0.00 O ATOM 298 CB SER A 39 -9.347 12.884 -0.150 1.00 0.00 C ATOM 299 OG SER A 39 -10.634 12.292 -0.130 1.00 0.00 O ATOM 0 H SER A 39 -6.814 13.357 -0.387 1.00 0.00 H new ATOM 0 HA SER A 39 -8.446 10.938 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.115 13.291 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.338 13.719 -0.850 1.00 0.00 H new ATOM 0 HG SER A 39 -11.299 12.963 0.131 1.00 0.00 H new ATOM 305 N TYR A 40 -7.649 12.342 -2.844 1.00 0.00 N ATOM 306 CA TYR A 40 -7.655 12.166 -4.291 1.00 0.00 C ATOM 307 C TYR A 40 -6.825 10.953 -4.697 1.00 0.00 C ATOM 308 O TYR A 40 -6.173 10.326 -3.861 1.00 0.00 O ATOM 309 CB TYR A 40 -7.117 13.421 -4.981 1.00 0.00 C ATOM 310 CG TYR A 40 -5.825 13.932 -4.385 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.596 13.464 -4.834 1.00 0.00 C ATOM 312 CD2 TYR A 40 -5.833 14.884 -3.372 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.413 13.928 -4.292 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.654 15.355 -2.826 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.448 14.873 -3.288 1.00 0.00 C ATOM 316 OH TYR A 40 -2.271 15.338 -2.746 1.00 0.00 O ATOM 0 H TYR A 40 -7.046 13.095 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.685 11.999 -4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.960 13.205 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.870 14.207 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.565 12.725 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.776 15.262 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.466 13.553 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.677 16.097 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.470 16.000 -2.051 1.00 0.00 H new ATOM 326 N ALA A 41 -6.852 10.628 -5.985 1.00 0.00 N ATOM 327 CA ALA A 41 -6.099 9.493 -6.503 1.00 0.00 C ATOM 328 C ALA A 41 -4.634 9.857 -6.719 1.00 0.00 C ATOM 329 O ALA A 41 -4.318 10.946 -7.199 1.00 0.00 O ATOM 330 CB ALA A 41 -6.719 8.998 -7.802 1.00 0.00 C ATOM 0 H ALA A 41 -7.388 11.135 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.141 8.693 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.147 8.150 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.748 8.689 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.707 9.800 -8.540 1.00 0.00 H new ATOM 336 N THR A 42 -3.742 8.939 -6.360 1.00 0.00 N ATOM 337 CA THR A 42 -2.310 9.164 -6.513 1.00 0.00 C ATOM 338 C THR A 42 -1.605 7.906 -7.004 1.00 0.00 C ATOM 339 O THR A 42 -1.781 6.825 -6.442 1.00 0.00 O ATOM 340 CB THR A 42 -1.668 9.615 -5.186 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.904 8.633 -4.170 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.229 10.956 -4.742 1.00 0.00 C ATOM 0 H THR A 42 -3.986 8.033 -5.961 1.00 0.00 H new ATOM 0 HA THR A 42 -2.191 9.955 -7.253 1.00 0.00 H new ATOM 0 HB THR A 42 -0.595 9.723 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.364 7.836 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.761 11.253 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.023 11.707 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.306 10.870 -4.599 1.00 0.00 H new ATOM 350 N GLN A 43 -0.805 8.053 -8.054 1.00 0.00 N ATOM 351 CA GLN A 43 -0.073 6.926 -8.622 1.00 0.00 C ATOM 352 C GLN A 43 0.515 6.051 -7.520 1.00 0.00 C ATOM 353 O GLN A 43 0.607 4.832 -7.666 1.00 0.00 O ATOM 354 CB GLN A 43 1.042 7.427 -9.543 1.00 0.00 C ATOM 355 CG GLN A 43 0.540 7.937 -10.883 1.00 0.00 C ATOM 356 CD GLN A 43 1.622 8.634 -11.685 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.068 9.725 -11.332 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.052 8.002 -12.771 1.00 0.00 N ATOM 0 H GLN A 43 -0.647 8.941 -8.530 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.772 6.326 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.586 8.227 -9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.752 6.618 -9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.146 7.101 -11.461 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.287 8.628 -10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.654 7.098 -13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.780 8.420 -13.350 1.00 0.00 H new ATOM 367 N SER A 44 0.914 6.680 -6.420 1.00 0.00 N ATOM 368 CA SER A 44 1.497 5.959 -5.295 1.00 0.00 C ATOM 369 C SER A 44 0.416 5.516 -4.313 1.00 0.00 C ATOM 370 O SER A 44 -0.644 6.135 -4.218 1.00 0.00 O ATOM 371 CB SER A 44 2.525 6.836 -4.577 1.00 0.00 C ATOM 372 OG SER A 44 3.624 7.130 -5.422 1.00 0.00 O ATOM 0 H SER A 44 0.844 7.688 -6.284 1.00 0.00 H new ATOM 0 HA SER A 44 1.995 5.071 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.053 7.764 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.878 6.328 -3.680 1.00 0.00 H new ATOM 0 HG SER A 44 4.266 7.693 -4.940 1.00 0.00 H new ATOM 378 N LEU A 45 0.692 4.439 -3.587 1.00 0.00 N ATOM 379 CA LEU A 45 -0.257 3.910 -2.612 1.00 0.00 C ATOM 380 C LEU A 45 0.468 3.386 -1.376 1.00 0.00 C ATOM 381 O LEU A 45 1.665 3.097 -1.421 1.00 0.00 O ATOM 382 CB LEU A 45 -1.093 2.792 -3.238 1.00 0.00 C ATOM 383 CG LEU A 45 -2.054 3.217 -4.350 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.534 2.004 -5.132 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.235 3.980 -3.770 1.00 0.00 C ATOM 0 H LEU A 45 1.564 3.915 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.917 4.722 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.415 2.039 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.671 2.312 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.520 3.877 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.217 2.325 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.679 1.497 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.051 1.319 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.908 4.275 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.769 3.343 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.875 4.870 -3.254 1.00 0.00 H new ATOM 397 N VAL A 46 -0.264 3.264 -0.274 1.00 0.00 N ATOM 398 CA VAL A 46 0.307 2.772 0.974 1.00 0.00 C ATOM 399 C VAL A 46 -0.441 1.541 1.473 1.00 0.00 C ATOM 400 O VAL A 46 -1.636 1.603 1.760 1.00 0.00 O ATOM 401 CB VAL A 46 0.282 3.854 2.069 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.150 4.175 2.469 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.095 3.411 3.275 1.00 0.00 C ATOM 0 H VAL A 46 -1.255 3.499 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 46 1.342 2.504 0.764 1.00 0.00 H new ATOM 0 HB VAL A 46 0.734 4.761 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.148 4.942 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.698 4.539 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.632 3.275 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.066 4.188 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.675 2.490 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.128 3.237 2.973 1.00 0.00 H new ATOM 413 N VAL A 47 0.271 0.423 1.575 1.00 0.00 N ATOM 414 CA VAL A 47 -0.326 -0.823 2.042 1.00 0.00 C ATOM 415 C VAL A 47 -0.374 -0.872 3.564 1.00 0.00 C ATOM 416 O VAL A 47 0.661 -0.875 4.229 1.00 0.00 O ATOM 417 CB VAL A 47 0.454 -2.046 1.524 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.413 -3.295 1.580 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.956 -1.799 0.110 1.00 0.00 C ATOM 0 H VAL A 47 1.261 0.355 1.341 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.342 -0.855 1.649 1.00 0.00 H new ATOM 0 HB VAL A 47 1.318 -2.203 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.155 -4.149 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.718 -3.480 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.298 -3.152 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.505 -2.674 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.108 -1.615 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.615 -0.931 0.104 1.00 0.00 H new ATOM 429 N ALA A 48 -1.585 -0.911 4.111 1.00 0.00 N ATOM 430 CA ALA A 48 -1.770 -0.963 5.557 1.00 0.00 C ATOM 431 C ALA A 48 -1.871 -2.403 6.046 1.00 0.00 C ATOM 432 O ALA A 48 -2.191 -3.308 5.276 1.00 0.00 O ATOM 433 CB ALA A 48 -3.010 -0.178 5.959 1.00 0.00 C ATOM 0 H ALA A 48 -2.453 -0.908 3.575 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.898 -0.508 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.136 -0.225 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.898 0.862 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.886 -0.607 5.473 1.00 0.00 H new ATOM 439 N ASN A 49 -1.594 -2.608 7.330 1.00 0.00 N ATOM 440 CA ASN A 49 -1.653 -3.940 7.921 1.00 0.00 C ATOM 441 C ASN A 49 -0.798 -4.924 7.130 1.00 0.00 C ATOM 442 O ASN A 49 -1.057 -6.127 7.128 1.00 0.00 O ATOM 443 CB ASN A 49 -3.100 -4.433 7.976 1.00 0.00 C ATOM 444 CG ASN A 49 -4.030 -3.428 8.629 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.660 -2.274 8.846 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.244 -3.864 8.946 1.00 0.00 N ATOM 0 H ASN A 49 -1.327 -1.869 7.980 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.259 -3.878 8.935 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.448 -4.642 6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.140 -5.372 8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.913 -3.234 9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.507 -4.829 8.747 1.00 0.00 H new ATOM 453 N GLY A 50 0.224 -4.405 6.456 1.00 0.00 N ATOM 454 CA GLY A 50 1.103 -5.252 5.671 1.00 0.00 C ATOM 455 C GLY A 50 2.562 -5.069 6.035 1.00 0.00 C ATOM 456 O GLY A 50 2.936 -5.166 7.203 1.00 0.00 O ATOM 0 H GLY A 50 0.459 -3.413 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.823 -6.295 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.965 -5.031 4.613 1.00 0.00 H new ATOM 460 N GLY A 51 3.393 -4.805 5.031 1.00 0.00 N ATOM 461 CA GLY A 51 4.811 -4.614 5.270 1.00 0.00 C ATOM 462 C GLY A 51 5.478 -5.858 5.824 1.00 0.00 C ATOM 463 O GLY A 51 4.817 -6.717 6.410 1.00 0.00 O ATOM 0 H GLY A 51 3.108 -4.720 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.298 -4.329 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.951 -3.789 5.968 1.00 0.00 H new ATOM 467 N LEU A 52 6.789 -5.956 5.637 1.00 0.00 N ATOM 468 CA LEU A 52 7.547 -7.106 6.122 1.00 0.00 C ATOM 469 C LEU A 52 7.135 -7.469 7.544 1.00 0.00 C ATOM 470 O LEU A 52 6.823 -8.623 7.836 1.00 0.00 O ATOM 471 CB LEU A 52 9.046 -6.811 6.073 1.00 0.00 C ATOM 472 CG LEU A 52 9.612 -6.435 4.702 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.946 -5.721 4.853 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.763 -7.671 3.830 1.00 0.00 C ATOM 0 H LEU A 52 7.350 -5.254 5.154 1.00 0.00 H new ATOM 0 HA LEU A 52 7.329 -7.954 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.259 -5.998 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.581 -7.689 6.436 1.00 0.00 H new ATOM 0 HG LEU A 52 8.912 -5.755 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.333 -5.461 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.808 -4.813 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.654 -6.376 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.167 -7.384 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.441 -8.375 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.789 -8.141 3.693 1.00 0.00 H new ATOM 486 N GLY A 53 7.133 -6.475 8.427 1.00 0.00 N ATOM 487 CA GLY A 53 6.756 -6.710 9.809 1.00 0.00 C ATOM 488 C GLY A 53 5.564 -7.638 9.934 1.00 0.00 C ATOM 489 O GLY A 53 5.477 -8.422 10.878 1.00 0.00 O ATOM 0 H GLY A 53 7.386 -5.511 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.603 -7.137 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.523 -5.758 10.286 1.00 0.00 H new ATOM 493 N ASN A 54 4.643 -7.548 8.981 1.00 0.00 N ATOM 494 CA ASN A 54 3.448 -8.385 8.990 1.00 0.00 C ATOM 495 C ASN A 54 3.694 -9.691 8.240 1.00 0.00 C ATOM 496 O ASN A 54 2.787 -10.239 7.613 1.00 0.00 O ATOM 497 CB ASN A 54 2.271 -7.637 8.363 1.00 0.00 C ATOM 498 CG ASN A 54 1.875 -6.409 9.161 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.713 -5.776 9.802 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.592 -6.068 9.123 1.00 0.00 N ATOM 0 H ASN A 54 4.701 -6.904 8.192 1.00 0.00 H new ATOM 0 HA ASN A 54 3.208 -8.621 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.533 -7.338 7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.416 -8.309 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.266 -5.251 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.067 -6.623 8.578 1.00 0.00 H new ATOM 507 N GLY A 55 4.926 -10.185 8.309 1.00 0.00 N ATOM 508 CA GLY A 55 5.269 -11.422 7.633 1.00 0.00 C ATOM 509 C GLY A 55 4.836 -11.428 6.180 1.00 0.00 C ATOM 510 O GLY A 55 4.429 -12.461 5.650 1.00 0.00 O ATOM 0 H GLY A 55 5.693 -9.750 8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.347 -11.576 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.800 -12.258 8.152 1.00 0.00 H new ATOM 514 N VAL A 56 4.922 -10.269 5.534 1.00 0.00 N ATOM 515 CA VAL A 56 4.535 -10.144 4.133 1.00 0.00 C ATOM 516 C VAL A 56 5.748 -9.868 3.252 1.00 0.00 C ATOM 517 O VAL A 56 6.281 -8.759 3.240 1.00 0.00 O ATOM 518 CB VAL A 56 3.503 -9.018 3.934 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.256 -8.776 2.454 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.204 -9.355 4.652 1.00 0.00 C ATOM 0 H VAL A 56 5.256 -9.404 5.958 1.00 0.00 H new ATOM 0 HA VAL A 56 4.086 -11.094 3.842 1.00 0.00 H new ATOM 0 HB VAL A 56 3.903 -8.100 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.524 -7.977 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.190 -8.488 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.876 -9.689 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.485 -8.549 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.797 -10.284 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.398 -9.474 5.718 1.00 0.00 H new ATOM 530 N SER A 57 6.178 -10.885 2.512 1.00 0.00 N ATOM 531 CA SER A 57 7.331 -10.754 1.628 1.00 0.00 C ATOM 532 C SER A 57 6.962 -9.982 0.365 1.00 0.00 C ATOM 533 O SER A 57 5.784 -9.849 0.027 1.00 0.00 O ATOM 534 CB SER A 57 7.874 -12.134 1.256 1.00 0.00 C ATOM 535 OG SER A 57 7.002 -12.801 0.361 1.00 0.00 O ATOM 0 H SER A 57 5.746 -11.809 2.507 1.00 0.00 H new ATOM 0 HA SER A 57 8.104 -10.199 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.858 -12.030 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.002 -12.733 2.158 1.00 0.00 H new ATOM 0 HG SER A 57 7.373 -13.680 0.137 1.00 0.00 H new ATOM 541 N ARG A 58 7.975 -9.474 -0.328 1.00 0.00 N ATOM 542 CA ARG A 58 7.757 -8.715 -1.554 1.00 0.00 C ATOM 543 C ARG A 58 7.178 -9.605 -2.650 1.00 0.00 C ATOM 544 O ARG A 58 6.273 -9.201 -3.378 1.00 0.00 O ATOM 545 CB ARG A 58 9.069 -8.089 -2.031 1.00 0.00 C ATOM 546 CG ARG A 58 8.965 -7.417 -3.390 1.00 0.00 C ATOM 547 CD ARG A 58 10.235 -6.652 -3.732 1.00 0.00 C ATOM 548 NE ARG A 58 11.280 -7.532 -4.249 1.00 0.00 N ATOM 549 CZ ARG A 58 11.191 -8.178 -5.406 1.00 0.00 C ATOM 550 NH1 ARG A 58 10.111 -8.045 -6.162 1.00 0.00 N ATOM 551 NH2 ARG A 58 12.184 -8.960 -5.809 1.00 0.00 N ATOM 0 H ARG A 58 8.955 -9.574 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 58 7.041 -7.922 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.399 -7.355 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.836 -8.863 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.775 -8.169 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.115 -6.735 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.008 -5.885 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.600 -6.139 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 58 12.124 -7.657 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.345 -7.445 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.046 -8.542 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.017 -9.066 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.114 -9.456 -6.698 1.00 0.00 H new ATOM 565 N ASN A 59 7.709 -10.819 -2.761 1.00 0.00 N ATOM 566 CA ASN A 59 7.245 -11.766 -3.769 1.00 0.00 C ATOM 567 C ASN A 59 5.877 -12.329 -3.398 1.00 0.00 C ATOM 568 O ASN A 59 5.283 -13.093 -4.158 1.00 0.00 O ATOM 569 CB ASN A 59 8.253 -12.906 -3.928 1.00 0.00 C ATOM 570 CG ASN A 59 7.780 -13.963 -4.908 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.090 -14.911 -4.530 1.00 0.00 O ATOM 572 ND2 ASN A 59 8.149 -13.804 -6.173 1.00 0.00 N ATOM 0 H ASN A 59 8.460 -11.170 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 59 7.154 -11.235 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.206 -12.500 -4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.431 -13.368 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.860 -14.483 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.721 -13.003 -6.441 1.00 0.00 H new ATOM 579 N GLN A 60 5.385 -11.947 -2.223 1.00 0.00 N ATOM 580 CA GLN A 60 4.086 -12.415 -1.752 1.00 0.00 C ATOM 581 C GLN A 60 3.054 -11.293 -1.798 1.00 0.00 C ATOM 582 O GLN A 60 1.848 -11.544 -1.790 1.00 0.00 O ATOM 583 CB GLN A 60 4.204 -12.957 -0.326 1.00 0.00 C ATOM 584 CG GLN A 60 2.861 -13.242 0.328 1.00 0.00 C ATOM 585 CD GLN A 60 2.078 -14.321 -0.393 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.078 -14.041 -1.054 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.528 -15.564 -0.266 1.00 0.00 N ATOM 0 H GLN A 60 5.865 -11.316 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 60 3.754 -13.216 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.793 -13.874 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.751 -12.237 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.022 -13.545 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.271 -12.326 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.361 -15.750 0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.040 -16.332 -0.726 1.00 0.00 H new ATOM 596 N LEU A 61 3.534 -10.055 -1.847 1.00 0.00 N ATOM 597 CA LEU A 61 2.653 -8.894 -1.894 1.00 0.00 C ATOM 598 C LEU A 61 2.620 -8.293 -3.296 1.00 0.00 C ATOM 599 O LEU A 61 1.568 -7.868 -3.777 1.00 0.00 O ATOM 600 CB LEU A 61 3.111 -7.840 -0.885 1.00 0.00 C ATOM 601 CG LEU A 61 2.087 -6.761 -0.529 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.859 -7.384 0.117 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.706 -5.720 0.391 1.00 0.00 C ATOM 0 H LEU A 61 4.529 -9.830 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 61 1.646 -9.222 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.407 -8.349 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.002 -7.351 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 61 1.777 -6.264 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.141 -6.602 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.402 -8.090 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.153 -7.907 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.963 -4.961 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.046 -6.201 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.554 -5.251 -0.108 1.00 0.00 H new ATOM 615 N LEU A 62 3.777 -8.260 -3.947 1.00 0.00 N ATOM 616 CA LEU A 62 3.882 -7.712 -5.295 1.00 0.00 C ATOM 617 C LEU A 62 2.930 -8.428 -6.249 1.00 0.00 C ATOM 618 O LEU A 62 2.261 -7.811 -7.077 1.00 0.00 O ATOM 619 CB LEU A 62 5.319 -7.831 -5.806 1.00 0.00 C ATOM 620 CG LEU A 62 5.499 -7.774 -7.323 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.302 -6.354 -7.831 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.872 -8.298 -7.717 1.00 0.00 C ATOM 0 H LEU A 62 4.656 -8.606 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 62 3.604 -6.659 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.909 -7.031 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.735 -8.772 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 62 4.743 -8.411 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.434 -6.333 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.297 -6.014 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.034 -5.695 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.983 -8.250 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.643 -7.688 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.975 -9.332 -7.387 1.00 0.00 H new ATOM 634 N PRO A 63 2.866 -9.763 -6.130 1.00 0.00 N ATOM 635 CA PRO A 63 1.998 -10.592 -6.971 1.00 0.00 C ATOM 636 C PRO A 63 0.576 -10.047 -7.051 1.00 0.00 C ATOM 637 O PRO A 63 -0.064 -10.106 -8.101 1.00 0.00 O ATOM 638 CB PRO A 63 2.011 -11.949 -6.265 1.00 0.00 C ATOM 639 CG PRO A 63 3.304 -11.980 -5.527 1.00 0.00 C ATOM 640 CD PRO A 63 3.636 -10.565 -5.164 1.00 0.00 C ATOM 0 HA PRO A 63 2.346 -10.630 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.165 -12.050 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.944 -12.768 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.223 -12.598 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.090 -12.414 -6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.349 -10.338 -4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.706 -10.372 -5.246 1.00 0.00 H new ATOM 648 N VAL A 64 0.087 -9.514 -5.935 1.00 0.00 N ATOM 649 CA VAL A 64 -1.260 -8.957 -5.879 1.00 0.00 C ATOM 650 C VAL A 64 -1.306 -7.570 -6.510 1.00 0.00 C ATOM 651 O VAL A 64 -2.342 -7.141 -7.019 1.00 0.00 O ATOM 652 CB VAL A 64 -1.770 -8.867 -4.429 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.203 -8.357 -4.398 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.662 -10.220 -3.743 1.00 0.00 C ATOM 0 H VAL A 64 0.604 -9.456 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.906 -9.631 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.146 -8.158 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.547 -8.300 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.246 -7.366 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.844 -9.039 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.027 -10.139 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.262 -10.952 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.620 -10.541 -3.733 1.00 0.00 H new ATOM 664 N LEU A 65 -0.176 -6.871 -6.473 1.00 0.00 N ATOM 665 CA LEU A 65 -0.087 -5.530 -7.041 1.00 0.00 C ATOM 666 C LEU A 65 0.109 -5.592 -8.553 1.00 0.00 C ATOM 667 O LEU A 65 -0.129 -4.612 -9.259 1.00 0.00 O ATOM 668 CB LEU A 65 1.066 -4.758 -6.398 1.00 0.00 C ATOM 669 CG LEU A 65 1.026 -4.640 -4.873 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.326 -4.049 -4.349 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.162 -3.796 -4.434 1.00 0.00 C ATOM 0 H LEU A 65 0.691 -7.211 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.023 -5.011 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.002 -5.240 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.084 -3.753 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 65 0.910 -5.639 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.279 -3.973 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.159 -4.693 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.473 -3.057 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.174 -3.723 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.078 -2.798 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.086 -4.262 -4.777 1.00 0.00 H new ATOM 683 N GLU A 66 0.543 -6.750 -9.042 1.00 0.00 N ATOM 684 CA GLU A 66 0.770 -6.939 -10.470 1.00 0.00 C ATOM 685 C GLU A 66 -0.510 -7.387 -11.168 1.00 0.00 C ATOM 686 O GLU A 66 -0.875 -6.862 -12.221 1.00 0.00 O ATOM 687 CB GLU A 66 1.878 -7.967 -10.702 1.00 0.00 C ATOM 688 CG GLU A 66 3.275 -7.426 -10.445 1.00 0.00 C ATOM 689 CD GLU A 66 4.339 -8.154 -11.242 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.771 -9.240 -10.801 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.738 -7.639 -12.306 1.00 0.00 O ATOM 0 H GLU A 66 0.744 -7.571 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 66 1.079 -5.983 -10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.706 -8.827 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.820 -8.326 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.301 -6.365 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.503 -7.509 -9.382 1.00 0.00 H new ATOM 698 N LYS A 67 -1.189 -8.364 -10.576 1.00 0.00 N ATOM 699 CA LYS A 67 -2.429 -8.886 -11.140 1.00 0.00 C ATOM 700 C LYS A 67 -3.423 -7.760 -11.403 1.00 0.00 C ATOM 701 O LYS A 67 -4.230 -7.835 -12.332 1.00 0.00 O ATOM 702 CB LYS A 67 -3.050 -9.917 -10.195 1.00 0.00 C ATOM 703 CG LYS A 67 -3.233 -9.406 -8.776 1.00 0.00 C ATOM 704 CD LYS A 67 -3.797 -10.484 -7.864 1.00 0.00 C ATOM 705 CE LYS A 67 -5.104 -11.045 -8.405 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.942 -11.635 -7.326 1.00 0.00 N ATOM 0 H LYS A 67 -0.901 -8.811 -9.705 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.192 -9.368 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.019 -10.223 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.419 -10.805 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.275 -9.062 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.902 -8.546 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.070 -11.289 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.962 -10.071 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.660 -10.252 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.890 -11.806 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.823 -12.006 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.421 -12.409 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.168 -10.903 -6.623 1.00 0.00 H new ATOM 720 N CYS A 68 -3.358 -6.716 -10.585 1.00 0.00 N ATOM 721 CA CYS A 68 -4.253 -5.572 -10.730 1.00 0.00 C ATOM 722 C CYS A 68 -3.695 -4.570 -11.735 1.00 0.00 C ATOM 723 O CYS A 68 -4.331 -4.267 -12.743 1.00 0.00 O ATOM 724 CB CYS A 68 -4.467 -4.891 -9.378 1.00 0.00 C ATOM 725 SG CYS A 68 -5.769 -5.642 -8.372 1.00 0.00 S ATOM 0 H CYS A 68 -2.695 -6.637 -9.814 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.211 -5.936 -11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.531 -4.915 -8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.712 -3.842 -9.546 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.311 -6.717 -7.802 1.00 0.00 H new ATOM 731 N GLY A 69 -2.501 -4.058 -11.452 1.00 0.00 N ATOM 732 CA GLY A 69 -1.878 -3.094 -12.340 1.00 0.00 C ATOM 733 C GLY A 69 -0.376 -3.271 -12.427 1.00 0.00 C ATOM 734 O GLY A 69 0.199 -4.112 -11.733 1.00 0.00 O ATOM 0 H GLY A 69 -1.954 -4.294 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.310 -3.190 -13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.102 -2.086 -11.991 1.00 0.00 H new ATOM 738 N LEU A 70 0.265 -2.480 -13.280 1.00 0.00 N ATOM 739 CA LEU A 70 1.710 -2.554 -13.457 1.00 0.00 C ATOM 740 C LEU A 70 2.436 -1.877 -12.298 1.00 0.00 C ATOM 741 O LEU A 70 2.258 -0.684 -12.054 1.00 0.00 O ATOM 742 CB LEU A 70 2.117 -1.902 -14.780 1.00 0.00 C ATOM 743 CG LEU A 70 1.812 -2.704 -16.045 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.959 -1.829 -17.280 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.724 -3.919 -16.138 1.00 0.00 C ATOM 0 H LEU A 70 -0.195 -1.779 -13.861 1.00 0.00 H new ATOM 0 HA LEU A 70 1.995 -3.606 -13.476 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.616 -0.937 -14.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.188 -1.703 -14.750 1.00 0.00 H new ATOM 0 HG LEU A 70 0.780 -3.052 -15.992 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.738 -2.417 -18.171 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.265 -0.991 -17.217 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.980 -1.451 -17.339 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.493 -4.479 -17.044 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.763 -3.592 -16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.569 -4.557 -15.268 1.00 0.00 H new ATOM 757 N VAL A 71 3.256 -2.646 -11.590 1.00 0.00 N ATOM 758 CA VAL A 71 4.012 -2.121 -10.459 1.00 0.00 C ATOM 759 C VAL A 71 5.359 -1.567 -10.909 1.00 0.00 C ATOM 760 O VAL A 71 6.282 -2.324 -11.212 1.00 0.00 O ATOM 761 CB VAL A 71 4.245 -3.202 -9.388 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.093 -2.654 -8.250 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.916 -3.730 -8.867 1.00 0.00 C ATOM 0 H VAL A 71 3.414 -3.636 -11.780 1.00 0.00 H new ATOM 0 HA VAL A 71 3.417 -1.316 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 71 4.786 -4.031 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.247 -3.433 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.058 -2.329 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.583 -1.807 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.099 -4.493 -8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.347 -2.912 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.349 -4.164 -9.691 1.00 0.00 H new ATOM 773 N ASP A 72 5.465 -0.243 -10.949 1.00 0.00 N ATOM 774 CA ASP A 72 6.701 0.412 -11.360 1.00 0.00 C ATOM 775 C ASP A 72 7.783 0.246 -10.298 1.00 0.00 C ATOM 776 O ASP A 72 8.941 -0.026 -10.615 1.00 0.00 O ATOM 777 CB ASP A 72 6.452 1.898 -11.624 1.00 0.00 C ATOM 778 CG ASP A 72 7.384 2.464 -12.676 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.599 2.185 -12.603 1.00 0.00 O ATOM 780 OD2 ASP A 72 6.899 3.186 -13.573 1.00 0.00 O ATOM 0 H ASP A 72 4.710 0.397 -10.702 1.00 0.00 H new ATOM 0 HA ASP A 72 7.045 -0.060 -12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.420 2.039 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.577 2.455 -10.695 1.00 0.00 H new ATOM 785 N ALA A 73 7.399 0.413 -9.036 1.00 0.00 N ATOM 786 CA ALA A 73 8.336 0.281 -7.928 1.00 0.00 C ATOM 787 C ALA A 73 7.601 0.026 -6.616 1.00 0.00 C ATOM 788 O ALA A 73 6.734 0.805 -6.217 1.00 0.00 O ATOM 789 CB ALA A 73 9.201 1.527 -7.817 1.00 0.00 C ATOM 0 H ALA A 73 6.445 0.640 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 73 8.978 -0.577 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.896 1.414 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.761 1.665 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.566 2.396 -7.644 1.00 0.00 H new ATOM 795 N LEU A 74 7.953 -1.068 -5.950 1.00 0.00 N ATOM 796 CA LEU A 74 7.327 -1.426 -4.682 1.00 0.00 C ATOM 797 C LEU A 74 8.289 -1.208 -3.519 1.00 0.00 C ATOM 798 O LEU A 74 9.228 -1.980 -3.323 1.00 0.00 O ATOM 799 CB LEU A 74 6.866 -2.885 -4.712 1.00 0.00 C ATOM 800 CG LEU A 74 6.621 -3.539 -3.351 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.535 -2.796 -2.589 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.247 -5.004 -3.524 1.00 0.00 C ATOM 0 H LEU A 74 8.668 -1.722 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 74 6.460 -0.781 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.945 -2.942 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.615 -3.471 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 74 7.543 -3.485 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.375 -3.276 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.842 -1.762 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.609 -2.817 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.076 -5.454 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.339 -5.079 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.058 -5.529 -4.028 1.00 0.00 H new ATOM 814 N LEU A 75 8.047 -0.154 -2.747 1.00 0.00 N ATOM 815 CA LEU A 75 8.890 0.165 -1.601 1.00 0.00 C ATOM 816 C LEU A 75 8.411 -0.568 -0.352 1.00 0.00 C ATOM 817 O LEU A 75 7.262 -0.417 0.065 1.00 0.00 O ATOM 818 CB LEU A 75 8.896 1.674 -1.351 1.00 0.00 C ATOM 819 CG LEU A 75 9.736 2.155 -0.168 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.212 2.175 -0.534 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.280 3.534 0.286 1.00 0.00 C ATOM 0 H LEU A 75 7.273 0.494 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 75 9.905 -0.163 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.257 2.170 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.868 2.001 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 75 9.596 1.458 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.794 2.520 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.532 1.170 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.369 2.849 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.890 3.860 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.389 4.242 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.234 3.490 0.590 1.00 0.00 H new ATOM 833 N MET A 76 9.298 -1.357 0.242 1.00 0.00 N ATOM 834 CA MET A 76 8.966 -2.110 1.447 1.00 0.00 C ATOM 835 C MET A 76 9.956 -1.806 2.567 1.00 0.00 C ATOM 836 O MET A 76 11.044 -2.376 2.638 1.00 0.00 O ATOM 837 CB MET A 76 8.958 -3.610 1.151 1.00 0.00 C ATOM 838 CG MET A 76 7.839 -4.039 0.215 1.00 0.00 C ATOM 839 SD MET A 76 7.574 -5.822 0.221 1.00 0.00 S ATOM 840 CE MET A 76 6.742 -6.036 1.794 1.00 0.00 C ATOM 0 H MET A 76 10.253 -1.493 -0.090 1.00 0.00 H new ATOM 0 HA MET A 76 7.971 -1.807 1.773 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.915 -3.890 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.865 -4.157 2.089 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.916 -3.537 0.505 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.074 -3.714 -0.799 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.320 -6.715 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.651 -5.071 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.749 -6.453 1.627 1.00 0.00 H new ATOM 850 N PRO A 77 9.571 -0.888 3.466 1.00 0.00 N ATOM 851 CA PRO A 77 10.410 -0.488 4.600 1.00 0.00 C ATOM 852 C PRO A 77 10.541 -1.594 5.642 1.00 0.00 C ATOM 853 O PRO A 77 9.573 -2.273 5.986 1.00 0.00 O ATOM 854 CB PRO A 77 9.666 0.714 5.186 1.00 0.00 C ATOM 855 CG PRO A 77 8.246 0.513 4.785 1.00 0.00 C ATOM 856 CD PRO A 77 8.287 -0.167 3.443 1.00 0.00 C ATOM 0 HA PRO A 77 11.432 -0.265 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.769 0.753 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.059 1.652 4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.717 -0.098 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.719 1.465 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.446 -0.848 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.245 0.553 2.626 1.00 0.00 H new ATOM 864 N PRO A 78 11.766 -1.780 6.157 1.00 0.00 N ATOM 865 CA PRO A 78 12.051 -2.803 7.168 1.00 0.00 C ATOM 866 C PRO A 78 11.426 -2.472 8.519 1.00 0.00 C ATOM 867 O PRO A 78 11.361 -1.310 8.915 1.00 0.00 O ATOM 868 CB PRO A 78 13.579 -2.786 7.267 1.00 0.00 C ATOM 869 CG PRO A 78 13.972 -1.417 6.832 1.00 0.00 C ATOM 870 CD PRO A 78 12.965 -1.007 5.793 1.00 0.00 C ATOM 0 HA PRO A 78 11.638 -3.774 6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.912 -2.989 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.026 -3.548 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.968 -0.724 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.981 -1.413 6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.775 0.066 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.307 -1.246 4.786 1.00 0.00 H new ATOM 878 N ASN A 79 10.967 -3.503 9.222 1.00 0.00 N ATOM 879 CA ASN A 79 10.346 -3.322 10.528 1.00 0.00 C ATOM 880 C ASN A 79 9.192 -2.328 10.449 1.00 0.00 C ATOM 881 O ASN A 79 9.022 -1.484 11.330 1.00 0.00 O ATOM 882 CB ASN A 79 11.382 -2.837 11.546 1.00 0.00 C ATOM 883 CG ASN A 79 12.719 -3.537 11.388 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.891 -4.676 11.824 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.672 -2.858 10.762 1.00 0.00 N ATOM 0 H ASN A 79 11.014 -4.472 8.908 1.00 0.00 H new ATOM 0 HA ASN A 79 9.951 -4.285 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.522 -1.762 11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.003 -3.006 12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.592 -3.278 10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.485 -1.916 10.417 1.00 0.00 H new ATOM 892 N LYS A 80 8.400 -2.433 9.389 1.00 0.00 N ATOM 893 CA LYS A 80 7.260 -1.545 9.193 1.00 0.00 C ATOM 894 C LYS A 80 6.049 -2.319 8.679 1.00 0.00 C ATOM 895 O LYS A 80 6.099 -2.976 7.640 1.00 0.00 O ATOM 896 CB LYS A 80 7.618 -0.428 8.211 1.00 0.00 C ATOM 897 CG LYS A 80 8.585 0.595 8.781 1.00 0.00 C ATOM 898 CD LYS A 80 7.995 1.309 9.984 1.00 0.00 C ATOM 899 CE LYS A 80 8.691 2.637 10.241 1.00 0.00 C ATOM 900 NZ LYS A 80 9.901 2.474 11.093 1.00 0.00 N ATOM 0 H LYS A 80 8.526 -3.125 8.651 1.00 0.00 H new ATOM 0 HA LYS A 80 7.006 -1.104 10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.055 -0.869 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.704 0.080 7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.512 0.100 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.839 1.325 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.931 1.480 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.084 0.674 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.975 3.088 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.996 3.323 10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.346 3.402 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.628 2.067 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.576 1.839 10.620 1.00 0.00 H new ATOM 914 N PRO A 81 4.935 -2.240 9.423 1.00 0.00 N ATOM 915 CA PRO A 81 3.692 -2.925 9.060 1.00 0.00 C ATOM 916 C PRO A 81 3.031 -2.314 7.828 1.00 0.00 C ATOM 917 O PRO A 81 2.019 -2.819 7.341 1.00 0.00 O ATOM 918 CB PRO A 81 2.807 -2.730 10.293 1.00 0.00 C ATOM 919 CG PRO A 81 3.326 -1.492 10.939 1.00 0.00 C ATOM 920 CD PRO A 81 4.805 -1.474 10.673 1.00 0.00 C ATOM 0 HA PRO A 81 3.863 -3.970 8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.759 -2.622 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.872 -3.585 10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.845 -0.605 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.122 -1.496 12.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.181 -0.457 10.562 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.365 -1.934 11.487 1.00 0.00 H new ATOM 928 N TYR A 82 3.609 -1.227 7.331 1.00 0.00 N ATOM 929 CA TYR A 82 3.074 -0.547 6.157 1.00 0.00 C ATOM 930 C TYR A 82 4.121 -0.468 5.049 1.00 0.00 C ATOM 931 O TYR A 82 5.321 -0.570 5.305 1.00 0.00 O ATOM 932 CB TYR A 82 2.604 0.860 6.528 1.00 0.00 C ATOM 933 CG TYR A 82 3.704 1.746 7.067 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.591 2.385 6.210 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.858 1.943 8.434 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.599 3.194 6.698 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.862 2.751 8.931 1.00 0.00 C ATOM 938 CZ TYR A 82 5.730 3.374 8.059 1.00 0.00 C ATOM 939 OH TYR A 82 6.732 4.179 8.549 1.00 0.00 O ATOM 0 H TYR A 82 4.448 -0.798 7.722 1.00 0.00 H new ATOM 0 HA TYR A 82 2.225 -1.123 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.168 1.332 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.812 0.784 7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.491 2.247 5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.181 1.456 9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.281 3.683 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.967 2.894 9.996 1.00 0.00 H new ATOM 0 HH TYR A 82 6.549 4.395 9.487 1.00 0.00 H new ATOM 949 N SER A 83 3.657 -0.288 3.817 1.00 0.00 N ATOM 950 CA SER A 83 4.550 -0.200 2.668 1.00 0.00 C ATOM 951 C SER A 83 4.028 0.810 1.651 1.00 0.00 C ATOM 952 O SER A 83 2.969 1.409 1.840 1.00 0.00 O ATOM 953 CB SER A 83 4.706 -1.571 2.010 1.00 0.00 C ATOM 954 OG SER A 83 5.430 -2.459 2.844 1.00 0.00 O ATOM 0 H SER A 83 2.667 -0.200 3.589 1.00 0.00 H new ATOM 0 HA SER A 83 5.525 0.137 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.722 -1.989 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.221 -1.463 1.055 1.00 0.00 H new ATOM 0 HG SER A 83 5.392 -3.364 2.470 1.00 0.00 H new ATOM 960 N PHE A 84 4.779 0.993 0.570 1.00 0.00 N ATOM 961 CA PHE A 84 4.394 1.931 -0.479 1.00 0.00 C ATOM 962 C PHE A 84 4.652 1.337 -1.861 1.00 0.00 C ATOM 963 O PHE A 84 5.698 0.735 -2.105 1.00 0.00 O ATOM 964 CB PHE A 84 5.163 3.245 -0.325 1.00 0.00 C ATOM 965 CG PHE A 84 5.096 3.819 1.061 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.053 4.653 1.430 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.077 3.525 1.995 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.988 5.184 2.705 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.016 4.053 3.271 1.00 0.00 C ATOM 970 CZ PHE A 84 4.972 4.884 3.626 1.00 0.00 C ATOM 0 H PHE A 84 5.658 0.504 0.397 1.00 0.00 H new ATOM 0 HA PHE A 84 3.327 2.129 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.207 3.079 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.766 3.974 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.281 4.891 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.897 2.877 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.169 5.832 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.785 3.815 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.925 5.299 4.622 1.00 0.00 H new ATOM 980 N ALA A 85 3.690 1.509 -2.761 1.00 0.00 N ATOM 981 CA ALA A 85 3.812 0.992 -4.118 1.00 0.00 C ATOM 982 C ALA A 85 3.584 2.094 -5.148 1.00 0.00 C ATOM 983 O ALA A 85 2.868 3.061 -4.889 1.00 0.00 O ATOM 984 CB ALA A 85 2.832 -0.150 -4.339 1.00 0.00 C ATOM 0 H ALA A 85 2.817 2.003 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 85 4.827 0.615 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.935 -0.526 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.044 -0.953 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.814 0.209 -4.186 1.00 0.00 H new ATOM 990 N ARG A 86 4.199 1.942 -6.317 1.00 0.00 N ATOM 991 CA ARG A 86 4.063 2.925 -7.385 1.00 0.00 C ATOM 992 C ARG A 86 3.693 2.249 -8.702 1.00 0.00 C ATOM 993 O ARG A 86 4.488 1.506 -9.275 1.00 0.00 O ATOM 994 CB ARG A 86 5.366 3.710 -7.551 1.00 0.00 C ATOM 995 CG ARG A 86 5.170 5.097 -8.140 1.00 0.00 C ATOM 996 CD ARG A 86 6.230 6.068 -7.645 1.00 0.00 C ATOM 997 NE ARG A 86 6.456 7.160 -8.587 1.00 0.00 N ATOM 998 CZ ARG A 86 7.436 8.047 -8.464 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.279 7.971 -7.443 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.577 9.012 -9.364 1.00 0.00 N ATOM 0 H ARG A 86 4.796 1.148 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 86 3.263 3.613 -7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.851 3.802 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.042 3.144 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.207 5.040 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.181 5.470 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.925 6.478 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.165 5.532 -7.481 1.00 0.00 H new ATOM 0 HE ARG A 86 5.826 7.246 -9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.175 7.230 -6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.031 8.654 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.932 9.073 -10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.331 9.693 -9.268 1.00 0.00 H new ATOM 1014 N TYR A 87 2.480 2.514 -9.175 1.00 0.00 N ATOM 1015 CA TYR A 87 2.002 1.929 -10.422 1.00 0.00 C ATOM 1016 C TYR A 87 2.525 2.709 -11.625 1.00 0.00 C ATOM 1017 O TYR A 87 3.241 3.699 -11.473 1.00 0.00 O ATOM 1018 CB TYR A 87 0.473 1.902 -10.444 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.126 0.789 -9.614 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.331 0.948 -8.249 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.484 -0.421 -10.194 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.877 -0.067 -7.486 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.031 -1.440 -9.439 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.226 -1.259 -8.086 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.769 -2.272 -7.330 1.00 0.00 O ATOM 0 H TYR A 87 1.810 3.130 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 87 2.378 0.908 -10.482 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.096 2.858 -10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.135 1.797 -11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.059 1.880 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.332 -0.568 -11.253 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.030 0.072 -6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.305 -2.374 -9.906 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.960 -3.043 -7.904 1.00 0.00 H new ATOM 1035 N ARG A 88 2.163 2.254 -12.820 1.00 0.00 N ATOM 1036 CA ARG A 88 2.596 2.907 -14.050 1.00 0.00 C ATOM 1037 C ARG A 88 1.571 3.940 -14.506 1.00 0.00 C ATOM 1038 O ARG A 88 1.921 4.953 -15.112 1.00 0.00 O ATOM 1039 CB ARG A 88 2.817 1.870 -15.153 1.00 0.00 C ATOM 1040 CG ARG A 88 3.049 2.481 -16.525 1.00 0.00 C ATOM 1041 CD ARG A 88 4.493 2.925 -16.700 1.00 0.00 C ATOM 1042 NE ARG A 88 4.737 3.479 -18.030 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.967 2.734 -19.105 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.985 1.412 -19.008 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.182 3.312 -20.280 1.00 0.00 N ATOM 0 H ARG A 88 1.571 1.436 -12.963 1.00 0.00 H new ATOM 0 HA ARG A 88 3.537 3.419 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.674 1.250 -14.891 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.950 1.211 -15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.795 1.754 -17.296 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.386 3.335 -16.661 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.737 3.673 -15.945 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.156 2.076 -16.533 1.00 0.00 H new ATOM 0 HE ARG A 88 4.730 4.493 -18.139 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.822 0.965 -18.106 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.162 0.842 -19.835 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.171 4.329 -20.358 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.359 2.739 -21.105 1.00 0.00 H new ATOM 1059 N THR A 89 0.300 3.677 -14.211 1.00 0.00 N ATOM 1060 CA THR A 89 -0.776 4.583 -14.592 1.00 0.00 C ATOM 1061 C THR A 89 -1.768 4.769 -13.450 1.00 0.00 C ATOM 1062 O THR A 89 -2.163 3.806 -12.793 1.00 0.00 O ATOM 1063 CB THR A 89 -1.530 4.068 -15.833 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.959 2.718 -15.621 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.647 4.135 -17.070 1.00 0.00 C ATOM 0 H THR A 89 -0.008 2.844 -13.710 1.00 0.00 H new ATOM 0 HA THR A 89 -0.314 5.542 -14.828 1.00 0.00 H new ATOM 0 HB THR A 89 -2.400 4.705 -15.992 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.439 2.399 -16.414 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.201 3.766 -17.933 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.346 5.168 -17.246 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.240 3.519 -16.918 1.00 0.00 H new ATOM 1073 N THR A 90 -2.169 6.015 -13.218 1.00 0.00 N ATOM 1074 CA THR A 90 -3.115 6.328 -12.155 1.00 0.00 C ATOM 1075 C THR A 90 -4.266 5.329 -12.131 1.00 0.00 C ATOM 1076 O THR A 90 -4.516 4.681 -11.115 1.00 0.00 O ATOM 1077 CB THR A 90 -3.687 7.749 -12.312 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.665 8.640 -12.771 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.253 8.254 -10.993 1.00 0.00 C ATOM 0 H THR A 90 -1.853 6.824 -13.753 1.00 0.00 H new ATOM 0 HA THR A 90 -2.565 6.267 -11.216 1.00 0.00 H new ATOM 0 HB THR A 90 -4.493 7.713 -13.045 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.037 9.541 -12.870 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.651 9.260 -11.129 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.051 7.590 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.463 8.275 -10.242 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.963 5.209 -13.257 1.00 0.00 N ATOM 1088 CA GLU A 91 -6.088 4.287 -13.363 1.00 0.00 C ATOM 1089 C GLU A 91 -5.810 2.998 -12.595 1.00 0.00 C ATOM 1090 O GLU A 91 -6.623 2.563 -11.780 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.375 3.967 -14.831 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.538 5.200 -15.703 1.00 0.00 C ATOM 1093 CD GLU A 91 -7.572 6.167 -15.160 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -8.775 5.838 -15.205 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.176 7.253 -14.686 1.00 0.00 O ATOM 0 H GLU A 91 -4.769 5.738 -14.107 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.962 4.768 -12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.562 3.358 -15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.283 3.367 -14.892 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.578 5.710 -15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.826 4.894 -16.709 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.657 2.393 -12.862 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.273 1.154 -12.197 1.00 0.00 C ATOM 1104 C GLU A 92 -4.297 1.321 -10.680 1.00 0.00 C ATOM 1105 O GLU A 92 -5.029 0.621 -9.980 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.879 0.715 -12.651 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.826 0.261 -14.099 1.00 0.00 C ATOM 1108 CD GLU A 92 -1.415 -0.050 -14.562 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -0.506 0.759 -14.282 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -1.222 -1.105 -15.203 1.00 0.00 O ATOM 0 H GLU A 92 -3.973 2.741 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.995 0.385 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.184 1.543 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.537 -0.099 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.448 -0.626 -14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.250 1.038 -14.735 1.00 0.00 H new ATOM 1117 N SER A 93 -3.492 2.252 -10.180 1.00 0.00 N ATOM 1118 CA SER A 93 -3.415 2.509 -8.747 1.00 0.00 C ATOM 1119 C SER A 93 -4.806 2.488 -8.118 1.00 0.00 C ATOM 1120 O SER A 93 -5.062 1.737 -7.176 1.00 0.00 O ATOM 1121 CB SER A 93 -2.744 3.857 -8.483 1.00 0.00 C ATOM 1122 OG SER A 93 -3.192 4.420 -7.261 1.00 0.00 O ATOM 0 H SER A 93 -2.883 2.842 -10.747 1.00 0.00 H new ATOM 0 HA SER A 93 -2.816 1.720 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.662 3.728 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.961 4.541 -9.303 1.00 0.00 H new ATOM 0 HG SER A 93 -2.656 5.213 -7.050 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.699 3.317 -8.644 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.064 3.395 -8.137 1.00 0.00 C ATOM 1130 C LYS A 94 -7.718 2.017 -8.120 1.00 0.00 C ATOM 1131 O LYS A 94 -8.296 1.607 -7.114 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.894 4.355 -8.993 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.425 5.797 -8.919 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.693 6.538 -10.219 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.184 6.665 -10.491 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.683 5.566 -11.364 1.00 0.00 N ATOM 0 H LYS A 94 -5.502 3.946 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.024 3.771 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.861 4.024 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.935 4.304 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.933 6.304 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.358 5.823 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.245 7.530 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.215 6.011 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.728 6.654 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.387 7.626 -10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.575 5.857 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.977 5.358 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.847 4.714 -10.790 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.619 1.306 -9.238 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.200 -0.026 -9.351 1.00 0.00 C ATOM 1152 C ARG A 95 -7.794 -0.898 -8.167 1.00 0.00 C ATOM 1153 O ARG A 95 -8.615 -1.626 -7.609 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.764 -0.687 -10.659 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.136 -2.158 -10.752 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.138 -2.932 -11.600 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.320 -4.376 -11.477 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.200 -5.070 -12.190 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -8.976 -4.456 -13.071 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.307 -6.382 -12.020 1.00 0.00 N ATOM 0 H ARG A 95 -7.142 1.630 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.285 0.077 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.217 -0.153 -11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.684 -0.587 -10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.176 -2.588 -9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.133 -2.256 -11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.247 -2.640 -12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.124 -2.667 -11.299 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.739 -4.879 -10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.899 -3.448 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.651 -4.992 -13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.713 -6.858 -11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.983 -6.914 -12.568 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.522 -0.821 -7.791 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.007 -1.601 -6.673 1.00 0.00 C ATOM 1176 C ALA A 96 -6.458 -1.016 -5.340 1.00 0.00 C ATOM 1177 O ALA A 96 -6.759 -1.749 -4.399 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.488 -1.671 -6.734 1.00 0.00 C ATOM 0 H ALA A 96 -5.829 -0.226 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.410 -2.611 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.117 -2.257 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.183 -2.143 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.075 -0.663 -6.685 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.502 0.310 -5.267 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.914 0.995 -4.046 1.00 0.00 C ATOM 1186 C TYR A 97 -8.348 0.631 -3.676 1.00 0.00 C ATOM 1187 O TYR A 97 -8.681 0.490 -2.498 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.788 2.509 -4.220 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.605 3.302 -3.224 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.121 3.560 -1.948 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.860 3.794 -3.561 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.864 4.283 -1.035 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.609 4.520 -2.655 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.107 4.761 -1.394 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.850 5.484 -0.488 1.00 0.00 O ATOM 0 H TYR A 97 -6.258 0.932 -6.038 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.257 0.673 -3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.740 2.791 -4.124 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.100 2.778 -5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.147 3.189 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.257 3.606 -4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.474 4.473 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.582 4.897 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.700 5.748 -0.898 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.195 0.481 -4.690 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.594 0.132 -4.472 1.00 0.00 C ATOM 1207 C VAL A 98 -10.788 -1.380 -4.465 1.00 0.00 C ATOM 1208 O VAL A 98 -11.781 -1.887 -3.941 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.501 0.750 -5.553 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.958 0.700 -5.120 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.073 2.178 -5.854 1.00 0.00 C ATOM 0 H VAL A 98 -8.937 0.596 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.874 0.536 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.399 0.165 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.584 1.141 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.255 -0.337 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.081 1.260 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.724 2.599 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.144 2.778 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.043 2.182 -6.212 1.00 0.00 H new ATOM 1221 N THR A 99 -9.834 -2.097 -5.049 1.00 0.00 N ATOM 1222 CA THR A 99 -9.900 -3.551 -5.110 1.00 0.00 C ATOM 1223 C THR A 99 -9.093 -4.187 -3.984 1.00 0.00 C ATOM 1224 O THR A 99 -9.643 -4.872 -3.121 1.00 0.00 O ATOM 1225 CB THR A 99 -9.381 -4.081 -6.461 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.271 -3.693 -7.514 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.250 -5.597 -6.434 1.00 0.00 C ATOM 0 H THR A 99 -9.006 -1.694 -5.487 1.00 0.00 H new ATOM 0 HA THR A 99 -10.949 -3.824 -4.999 1.00 0.00 H new ATOM 0 HB THR A 99 -8.396 -3.650 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.979 -2.837 -7.890 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.882 -5.948 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.550 -5.888 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.224 -6.043 -6.233 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.784 -3.955 -3.997 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.900 -4.505 -2.976 1.00 0.00 C ATOM 1237 C LEU A 100 -7.374 -4.116 -1.580 1.00 0.00 C ATOM 1238 O LEU A 100 -7.481 -4.961 -0.692 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.468 -4.014 -3.196 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.897 -4.214 -4.600 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.435 -3.802 -4.646 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.060 -5.662 -5.039 1.00 0.00 C ATOM 0 H LEU A 100 -7.312 -3.390 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.922 -5.592 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.429 -2.951 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.817 -4.524 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.452 -3.580 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.046 -3.952 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.345 -2.750 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.864 -4.408 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.648 -5.787 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.530 -6.314 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.118 -5.923 -5.046 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.657 -2.831 -1.392 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.123 -2.331 -0.103 1.00 0.00 C ATOM 1256 C ASN A 101 -9.305 -3.150 0.404 1.00 0.00 C ATOM 1257 O ASN A 101 -10.316 -3.291 -0.283 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.519 -0.857 -0.218 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.831 -0.236 1.130 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.405 -0.883 2.006 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.452 1.025 1.301 1.00 0.00 N ATOM 0 H ASN A 101 -7.572 -2.117 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.306 -2.426 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.710 -0.302 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.390 -0.767 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.634 1.497 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.979 1.522 0.546 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.171 -3.689 1.613 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.235 -4.487 2.191 1.00 0.00 C ATOM 1270 C GLY A 102 -10.151 -5.946 1.789 1.00 0.00 C ATOM 1271 O GLY A 102 -10.794 -6.803 2.395 1.00 0.00 O ATOM 0 H GLY A 102 -8.344 -3.587 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.193 -4.410 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.198 -4.083 1.880 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.356 -6.230 0.763 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.189 -7.595 0.280 1.00 0.00 C ATOM 1277 C LYS A 103 -8.342 -8.415 1.247 1.00 0.00 C ATOM 1278 O LYS A 103 -7.553 -7.865 2.015 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.539 -7.591 -1.106 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.806 -8.855 -1.906 1.00 0.00 C ATOM 1281 CD LYS A 103 -8.131 -8.805 -3.267 1.00 0.00 C ATOM 1282 CE LYS A 103 -8.237 -10.139 -3.990 1.00 0.00 C ATOM 1283 NZ LYS A 103 -9.609 -10.377 -4.518 1.00 0.00 N ATOM 0 H LYS A 103 -8.817 -5.532 0.250 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.176 -8.053 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.905 -6.731 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.462 -7.463 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.445 -9.721 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.880 -8.985 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.589 -8.024 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.081 -8.539 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.522 -10.164 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.966 -10.944 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.639 -11.296 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.289 -10.379 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.858 -9.623 -5.189 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.509 -9.734 1.202 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.758 -10.628 2.076 1.00 0.00 C ATOM 1299 C GLU A 104 -6.629 -11.313 1.312 1.00 0.00 C ATOM 1300 O GLU A 104 -6.818 -11.779 0.188 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.687 -11.680 2.685 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.390 -11.213 3.948 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.635 -12.023 4.257 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.499 -13.117 4.843 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.743 -11.564 3.913 1.00 0.00 O ATOM 0 H GLU A 104 -9.156 -10.206 0.571 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.322 -10.031 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.436 -11.963 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.109 -12.576 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.700 -11.280 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.662 -10.163 3.841 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.453 -11.368 1.929 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.292 -11.996 1.309 1.00 0.00 C ATOM 1314 C VAL A 105 -3.598 -12.947 2.277 1.00 0.00 C ATOM 1315 O VAL A 105 -3.411 -12.627 3.451 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.277 -10.943 0.824 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.840 -10.160 -0.353 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.895 -10.009 1.962 1.00 0.00 C ATOM 0 H VAL A 105 -5.279 -10.985 2.858 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.658 -12.560 0.451 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.377 -11.458 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.109 -9.421 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.059 -10.844 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.756 -9.654 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.177 -9.272 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.786 -9.499 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.447 -10.586 2.771 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.216 -14.117 1.776 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.540 -15.115 2.597 1.00 0.00 C ATOM 1330 C VAL A 106 -1.101 -14.705 2.888 1.00 0.00 C ATOM 1331 O VAL A 106 -0.243 -14.746 2.006 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.541 -16.496 1.914 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.502 -17.407 2.552 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -3.926 -17.122 1.982 1.00 0.00 C ATOM 0 H VAL A 106 -3.363 -14.397 0.806 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.092 -15.180 3.535 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.278 -16.365 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.517 -18.378 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.513 -16.961 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.731 -17.535 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.909 -18.097 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.220 -17.242 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.643 -16.476 1.475 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.845 -14.310 4.130 1.00 0.00 N ATOM 1345 CA ASP A 107 0.492 -13.893 4.539 1.00 0.00 C ATOM 1346 C ASP A 107 1.460 -15.071 4.516 1.00 0.00 C ATOM 1347 O ASP A 107 1.070 -16.203 4.225 1.00 0.00 O ATOM 1348 CB ASP A 107 0.451 -13.277 5.939 1.00 0.00 C ATOM 1349 CG ASP A 107 0.584 -14.318 7.032 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.381 -15.081 7.245 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.652 -14.369 7.678 1.00 0.00 O ATOM 0 H ASP A 107 -1.545 -14.270 4.871 1.00 0.00 H new ATOM 0 HA ASP A 107 0.845 -13.143 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.255 -12.548 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.487 -12.736 6.068 1.00 0.00 H new ATOM 1356 N ASP A 108 2.723 -14.799 4.822 1.00 0.00 N ATOM 1357 CA ASP A 108 3.747 -15.837 4.837 1.00 0.00 C ATOM 1358 C ASP A 108 3.330 -17.000 5.732 1.00 0.00 C ATOM 1359 O ASP A 108 3.453 -18.165 5.351 1.00 0.00 O ATOM 1360 CB ASP A 108 5.081 -15.261 5.317 1.00 0.00 C ATOM 1361 CG ASP A 108 6.211 -16.267 5.228 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.302 -16.967 4.197 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.007 -16.352 6.186 1.00 0.00 O ATOM 0 H ASP A 108 3.063 -13.868 5.063 1.00 0.00 H new ATOM 0 HA ASP A 108 3.866 -16.210 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.331 -14.384 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.978 -14.925 6.349 1.00 0.00 H new ATOM 1368 N LEU A 109 2.837 -16.677 6.922 1.00 0.00 N ATOM 1369 CA LEU A 109 2.402 -17.694 7.873 1.00 0.00 C ATOM 1370 C LEU A 109 1.308 -18.570 7.270 1.00 0.00 C ATOM 1371 O LEU A 109 1.167 -19.738 7.627 1.00 0.00 O ATOM 1372 CB LEU A 109 1.895 -17.037 9.157 1.00 0.00 C ATOM 1373 CG LEU A 109 2.849 -16.048 9.827 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.181 -15.386 11.022 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.131 -16.748 10.253 1.00 0.00 C ATOM 0 H LEU A 109 2.728 -15.718 7.252 1.00 0.00 H new ATOM 0 HA LEU A 109 3.259 -18.325 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.964 -16.517 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.656 -17.823 9.874 1.00 0.00 H new ATOM 0 HG LEU A 109 3.103 -15.274 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.876 -14.686 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.292 -14.849 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.896 -16.148 11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.798 -16.028 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.894 -17.544 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.621 -17.174 9.378 1.00 0.00 H new ATOM 1387 N GLY A 110 0.538 -17.997 6.350 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.533 -18.739 5.711 1.00 0.00 C ATOM 1389 C GLY A 110 -1.907 -18.259 6.135 1.00 0.00 C ATOM 1390 O GLY A 110 -2.919 -18.853 5.767 1.00 0.00 O ATOM 0 H GLY A 110 0.637 -17.032 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.438 -18.648 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.431 -19.797 5.952 1.00 0.00 H new ATOM 1394 N GLN A 111 -1.941 -17.181 6.912 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.201 -16.622 7.388 1.00 0.00 C ATOM 1396 C GLN A 111 -3.617 -15.422 6.545 1.00 0.00 C ATOM 1397 O GLN A 111 -2.776 -14.643 6.095 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.079 -16.213 8.856 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.660 -17.351 9.773 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.013 -17.092 11.224 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.135 -17.009 12.084 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.304 -16.961 11.506 1.00 0.00 N ATOM 0 H GLN A 111 -1.111 -16.678 7.225 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.969 -17.390 7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.353 -15.404 8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.037 -15.818 9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.141 -18.273 9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.584 -17.505 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -4.999 -17.037 10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.601 -16.784 12.466 1.00 0.00 H new ATOM 1411 N LYS A 112 -4.921 -15.277 6.334 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.451 -14.169 5.546 1.00 0.00 C ATOM 1413 C LYS A 112 -5.468 -12.881 6.362 1.00 0.00 C ATOM 1414 O LYS A 112 -5.898 -12.872 7.516 1.00 0.00 O ATOM 1415 CB LYS A 112 -6.863 -14.496 5.055 1.00 0.00 C ATOM 1416 CG LYS A 112 -6.917 -15.670 4.094 1.00 0.00 C ATOM 1417 CD LYS A 112 -6.720 -15.223 2.655 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.110 -16.316 1.673 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.005 -15.856 0.261 1.00 0.00 N ATOM 0 H LYS A 112 -5.631 -15.913 6.698 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.799 -14.023 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.496 -14.712 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.281 -13.617 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.147 -16.394 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.877 -16.176 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.318 -14.332 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.677 -14.947 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.467 -17.184 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.132 -16.638 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.279 -16.630 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.638 -15.044 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.025 -15.573 0.060 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.003 -11.795 5.754 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.968 -10.501 6.424 1.00 0.00 C ATOM 1435 C ILE A 113 -5.660 -9.430 5.587 1.00 0.00 C ATOM 1436 O ILE A 113 -5.638 -9.477 4.356 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.523 -10.055 6.715 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.739 -11.190 7.377 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.519 -8.815 7.596 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.401 -10.757 7.931 1.00 0.00 C ATOM 0 H ILE A 113 -4.645 -11.785 4.799 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.499 -10.621 7.368 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.037 -9.807 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.338 -11.612 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.581 -11.985 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.491 -8.512 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.045 -8.006 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.019 -9.037 8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.901 -11.613 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.784 -10.362 7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.552 -9.983 8.684 1.00 0.00 H new ATOM 1452 N THR A 114 -6.273 -8.463 6.262 1.00 0.00 N ATOM 1453 CA THR A 114 -6.971 -7.380 5.581 1.00 0.00 C ATOM 1454 C THR A 114 -6.098 -6.133 5.494 1.00 0.00 C ATOM 1455 O THR A 114 -5.941 -5.401 6.473 1.00 0.00 O ATOM 1456 CB THR A 114 -8.287 -7.021 6.297 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.022 -8.213 6.596 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.137 -6.098 5.437 1.00 0.00 C ATOM 0 H THR A 114 -6.300 -8.408 7.280 1.00 0.00 H new ATOM 0 HA THR A 114 -7.198 -7.734 4.575 1.00 0.00 H new ATOM 0 HB THR A 114 -8.041 -6.503 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.856 -7.977 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.061 -5.859 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.586 -5.180 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.374 -6.594 4.496 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.531 -5.895 4.316 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.673 -4.735 4.100 1.00 0.00 C ATOM 1468 C LEU A 115 -5.464 -3.577 3.501 1.00 0.00 C ATOM 1469 O LEU A 115 -6.225 -3.758 2.550 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.508 -5.101 3.180 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.849 -6.457 3.439 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.713 -6.695 2.457 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.343 -6.539 4.872 1.00 0.00 C ATOM 0 H LEU A 115 -5.650 -6.490 3.496 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.279 -4.421 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.865 -5.084 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.746 -4.327 3.266 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.597 -7.236 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.256 -7.664 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.103 -6.680 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.964 -5.911 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.877 -7.510 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.610 -5.751 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.179 -6.415 5.561 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.277 -2.387 4.061 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.973 -1.199 3.583 1.00 0.00 C ATOM 1487 C TYR A 116 -5.031 -0.297 2.790 1.00 0.00 C ATOM 1488 O TYR A 116 -4.012 0.163 3.309 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.571 -0.424 4.758 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.872 -1.003 5.266 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.884 -2.139 6.066 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.090 -0.415 4.946 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.070 -2.672 6.533 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.280 -0.940 5.409 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.265 -2.069 6.201 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.449 -2.596 6.664 1.00 0.00 O ATOM 0 H TYR A 116 -4.649 -2.220 4.847 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.778 -1.522 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.849 -0.404 5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.737 0.609 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.950 -2.614 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.106 0.468 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.061 -3.555 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.217 -0.469 5.152 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.198 -2.052 6.341 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.379 -0.047 1.534 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.565 0.800 0.669 1.00 0.00 C ATOM 1508 C LEU A 117 -5.090 2.232 0.660 1.00 0.00 C ATOM 1509 O LEU A 117 -6.273 2.469 0.419 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.549 0.242 -0.756 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.628 -0.954 -0.998 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.258 -2.230 -0.462 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.313 -1.093 -2.480 1.00 0.00 C ATOM 0 H LEU A 117 -6.219 -0.418 1.091 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.548 0.807 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.565 -0.048 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.257 1.043 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.694 -0.783 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.588 -3.071 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.431 -2.128 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.207 -2.407 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.656 -1.949 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.239 -1.241 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.818 -0.188 -2.833 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.201 3.184 0.924 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.574 4.594 0.944 1.00 0.00 C ATOM 1527 C ASN A 118 -3.785 5.382 -0.097 1.00 0.00 C ATOM 1528 O ASN A 118 -2.626 5.074 -0.377 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.336 5.185 2.335 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.514 4.972 3.265 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.562 5.598 3.111 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.347 4.082 4.238 1.00 0.00 N ATOM 0 H ASN A 118 -3.218 3.005 1.127 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.634 4.667 0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.446 4.732 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.138 6.253 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.105 3.895 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.461 3.586 4.328 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.422 6.399 -0.670 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.781 7.230 -1.681 1.00 0.00 C ATOM 1541 C PHE A 119 -2.742 8.151 -1.048 1.00 0.00 C ATOM 1542 O PHE A 119 -3.024 8.849 -0.075 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.827 8.060 -2.428 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.646 7.259 -3.398 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.040 6.577 -4.439 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.025 7.188 -3.269 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.791 5.838 -5.334 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.781 6.451 -4.160 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.163 5.776 -5.195 1.00 0.00 C ATOM 0 H PHE A 119 -5.382 6.667 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.276 6.573 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.493 8.529 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.325 8.864 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.967 6.623 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.514 7.715 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.305 5.310 -6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.854 6.403 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.752 5.201 -5.894 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.536 8.147 -1.609 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.454 8.982 -1.102 1.00 0.00 C ATOM 1561 C VAL A 120 0.136 9.849 -2.209 1.00 0.00 C ATOM 1562 O VAL A 120 0.450 9.360 -3.293 1.00 0.00 O ATOM 1563 CB VAL A 120 0.668 8.129 -0.481 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.116 7.248 0.630 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.352 7.289 -1.548 1.00 0.00 C ATOM 0 H VAL A 120 -1.284 7.574 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.883 9.623 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 120 1.411 8.798 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.923 6.652 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.323 7.874 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.648 6.585 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.142 6.693 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.622 6.627 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.784 7.944 -2.305 1.00 0.00 H new ATOM 1575 N GLU A 121 0.284 11.140 -1.926 1.00 0.00 N ATOM 1576 CA GLU A 121 0.836 12.075 -2.899 1.00 0.00 C ATOM 1577 C GLU A 121 2.360 12.004 -2.917 1.00 0.00 C ATOM 1578 O GLU A 121 2.988 12.165 -3.964 1.00 0.00 O ATOM 1579 CB GLU A 121 0.385 13.502 -2.580 1.00 0.00 C ATOM 1580 CG GLU A 121 0.551 13.881 -1.118 1.00 0.00 C ATOM 1581 CD GLU A 121 0.544 15.382 -0.899 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.823 16.123 -1.865 1.00 0.00 O ATOM 1583 OE2 GLU A 121 0.262 15.814 0.237 1.00 0.00 O ATOM 0 H GLU A 121 0.030 11.561 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 121 0.465 11.796 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.954 14.200 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.663 13.614 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.252 13.429 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.487 13.467 -0.744 1.00 0.00 H new ATOM 1590 N LYS A 122 2.949 11.763 -1.751 1.00 0.00 N ATOM 1591 CA LYS A 122 4.400 11.670 -1.631 1.00 0.00 C ATOM 1592 C LYS A 122 4.796 10.527 -0.700 1.00 0.00 C ATOM 1593 O LYS A 122 3.997 10.074 0.118 1.00 0.00 O ATOM 1594 CB LYS A 122 4.974 12.990 -1.109 1.00 0.00 C ATOM 1595 CG LYS A 122 4.318 13.474 0.172 1.00 0.00 C ATOM 1596 CD LYS A 122 5.231 14.411 0.946 1.00 0.00 C ATOM 1597 CE LYS A 122 4.437 15.350 1.841 1.00 0.00 C ATOM 1598 NZ LYS A 122 3.818 16.462 1.069 1.00 0.00 N ATOM 0 H LYS A 122 2.444 11.628 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 122 4.810 11.468 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.043 12.868 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.860 13.755 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.386 13.987 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.060 12.618 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.923 13.827 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.832 14.994 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.658 14.788 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.093 15.762 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.329 17.107 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.558 16.983 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.134 16.074 0.388 1.00 0.00 H new ATOM 1612 N VAL A 123 6.037 10.067 -0.832 1.00 0.00 N ATOM 1613 CA VAL A 123 6.539 8.980 -0.002 1.00 0.00 C ATOM 1614 C VAL A 123 8.058 9.031 0.111 1.00 0.00 C ATOM 1615 O VAL A 123 8.739 9.543 -0.779 1.00 0.00 O ATOM 1616 CB VAL A 123 6.123 7.607 -0.562 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.765 6.485 0.240 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.608 7.470 -0.567 1.00 0.00 C ATOM 0 H VAL A 123 6.712 10.430 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 123 6.099 9.109 0.987 1.00 0.00 H new ATOM 0 HB VAL A 123 6.475 7.533 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.459 5.523 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.850 6.574 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.447 6.553 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.332 6.494 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.231 7.566 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.174 8.252 -1.190 1.00 0.00 H new ATOM 1628 N GLN A 124 8.584 8.497 1.208 1.00 0.00 N ATOM 1629 CA GLN A 124 10.025 8.483 1.436 1.00 0.00 C ATOM 1630 C GLN A 124 10.685 7.339 0.673 1.00 0.00 C ATOM 1631 O GLN A 124 11.325 6.472 1.267 1.00 0.00 O ATOM 1632 CB GLN A 124 10.325 8.355 2.930 1.00 0.00 C ATOM 1633 CG GLN A 124 9.575 7.219 3.606 1.00 0.00 C ATOM 1634 CD GLN A 124 10.289 6.700 4.839 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.465 6.988 5.056 1.00 0.00 O ATOM 1636 NE2 GLN A 124 9.578 5.929 5.654 1.00 0.00 N ATOM 0 H GLN A 124 8.035 8.068 1.953 1.00 0.00 H new ATOM 0 HA GLN A 124 10.435 9.424 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.396 8.203 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.071 9.292 3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.579 7.562 3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.444 6.402 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.605 5.716 5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.005 5.550 6.499 1.00 0.00 H new ATOM 1645 N TRP A 125 10.526 7.345 -0.646 1.00 0.00 N ATOM 1646 CA TRP A 125 11.107 6.307 -1.491 1.00 0.00 C ATOM 1647 C TRP A 125 12.576 6.084 -1.146 1.00 0.00 C ATOM 1648 O TRP A 125 12.979 4.977 -0.791 1.00 0.00 O ATOM 1649 CB TRP A 125 10.967 6.684 -2.966 1.00 0.00 C ATOM 1650 CG TRP A 125 9.545 6.725 -3.437 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.804 7.839 -3.711 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.692 5.603 -3.686 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.543 7.476 -4.116 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.449 6.110 -4.110 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.859 4.218 -3.596 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.380 5.281 -4.439 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.797 3.397 -3.922 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.571 3.929 -4.342 1.00 0.00 C ATOM 0 H TRP A 125 10.000 8.057 -1.153 1.00 0.00 H new ATOM 0 HA TRP A 125 10.566 5.379 -1.309 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.424 7.660 -3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.522 5.967 -3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.158 8.856 -3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.797 8.120 -4.379 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.801 3.797 -3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.433 5.690 -4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.914 2.326 -3.852 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.761 3.260 -4.594 1.00 0.00 H new ATOM 1669 N SER A 126 13.371 7.144 -1.254 1.00 0.00 N ATOM 1670 CA SER A 126 14.797 7.061 -0.958 1.00 0.00 C ATOM 1671 C SER A 126 15.441 8.444 -1.002 1.00 0.00 C ATOM 1672 O SER A 126 15.560 9.051 -2.066 1.00 0.00 O ATOM 1673 CB SER A 126 15.493 6.129 -1.951 1.00 0.00 C ATOM 1674 OG SER A 126 16.788 5.776 -1.496 1.00 0.00 O ATOM 0 H SER A 126 13.053 8.069 -1.544 1.00 0.00 H new ATOM 0 HA SER A 126 14.912 6.657 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.895 5.228 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 126 15.566 6.617 -2.923 1.00 0.00 H new ATOM 0 HG SER A 126 17.212 5.178 -2.147 1.00 0.00 H new ATOM 1680 N GLY A 127 15.856 8.935 0.162 1.00 0.00 N ATOM 1681 CA GLY A 127 16.483 10.242 0.234 1.00 0.00 C ATOM 1682 C GLY A 127 17.394 10.382 1.437 1.00 0.00 C ATOM 1683 O GLY A 127 17.333 9.595 2.383 1.00 0.00 O ATOM 0 H GLY A 127 15.769 8.451 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 127 17.058 10.416 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.711 11.010 0.275 1.00 0.00 H new ATOM 1687 N PRO A 128 18.263 11.403 1.411 1.00 0.00 N ATOM 1688 CA PRO A 128 19.208 11.666 2.500 1.00 0.00 C ATOM 1689 C PRO A 128 18.513 12.163 3.763 1.00 0.00 C ATOM 1690 O PRO A 128 19.148 12.349 4.801 1.00 0.00 O ATOM 1691 CB PRO A 128 20.117 12.757 1.926 1.00 0.00 C ATOM 1692 CG PRO A 128 19.283 13.440 0.896 1.00 0.00 C ATOM 1693 CD PRO A 128 18.390 12.379 0.316 1.00 0.00 C ATOM 0 HA PRO A 128 19.740 10.765 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 128 20.438 13.453 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 128 21.019 12.331 1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 128 18.696 14.244 1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 128 19.907 13.890 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 128 17.421 12.785 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 128 18.828 11.929 -0.575 1.00 0.00 H new ATOM 1701 N SER A 129 17.205 12.375 3.668 1.00 0.00 N ATOM 1702 CA SER A 129 16.423 12.854 4.803 1.00 0.00 C ATOM 1703 C SER A 129 16.724 14.322 5.089 1.00 0.00 C ATOM 1704 O SER A 129 16.769 14.745 6.245 1.00 0.00 O ATOM 1705 CB SER A 129 16.718 12.010 6.044 1.00 0.00 C ATOM 1706 OG SER A 129 15.736 12.215 7.045 1.00 0.00 O ATOM 0 H SER A 129 16.664 12.223 2.817 1.00 0.00 H new ATOM 0 HA SER A 129 15.367 12.760 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 129 16.749 10.955 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 129 17.702 12.267 6.437 1.00 0.00 H new ATOM 0 HG SER A 129 15.703 13.165 7.281 1.00 0.00 H new ATOM 1712 N SER A 130 16.931 15.096 4.027 1.00 0.00 N ATOM 1713 CA SER A 130 17.232 16.515 4.164 1.00 0.00 C ATOM 1714 C SER A 130 15.949 17.335 4.265 1.00 0.00 C ATOM 1715 O SER A 130 14.851 16.819 4.062 1.00 0.00 O ATOM 1716 CB SER A 130 18.066 16.998 2.975 1.00 0.00 C ATOM 1717 OG SER A 130 17.659 16.363 1.776 1.00 0.00 O ATOM 0 H SER A 130 16.896 14.763 3.063 1.00 0.00 H new ATOM 0 HA SER A 130 17.805 16.653 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 130 17.965 18.078 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 130 19.121 16.793 3.159 1.00 0.00 H new ATOM 0 HG SER A 130 18.206 16.690 1.031 1.00 0.00 H new ATOM 1723 N GLY A 131 16.097 18.619 4.581 1.00 0.00 N ATOM 1724 CA GLY A 131 14.943 19.491 4.704 1.00 0.00 C ATOM 1725 C GLY A 131 13.785 18.823 5.418 1.00 0.00 C ATOM 1726 O GLY A 131 12.656 19.309 5.374 1.00 0.00 O ATOM 0 H GLY A 131 16.995 19.070 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 131 15.229 20.392 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 131 14.621 19.805 3.711 1.00 0.00 H new TER 1730 GLY A 131