USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 883 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 49 THR OG1 : rot 170:sc= 1.3 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.472 USER MOD Set 1.3: A 104 HEC O2D : rot 120:sc= 1.98 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 175:sc= 0.779 (180deg=0.758) USER MOD Set 2.2: A 63 ASN : amide:sc= -0.709! C(o=1.3!,f=0.28!) USER MOD Set 2.3: A 74 TYR OH : rot 31:sc= 1.2 USER MOD Set 3.1: A 19 THR OG1 : rot -140:sc= 0.591 USER MOD Set 3.2: A 31 ASN : amide:sc= 2.86 K(o=3.5,f=-9.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.21) USER MOD Single : A 8 THR OG1 : rot 8:sc= 0.234 USER MOD Single : A -2 LYS NZ :NH3+ 179:sc= 0.752 (180deg=0.701) USER MOD Single : A -5 THR N :NH3+ -141:sc= 0.263 (180deg=0.00252) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc=-2.92e-05 (180deg=-0.0651) USER MOD Single : A 12 THR OG1 : rot -55:sc= 0.113 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0319 (180deg=-0.0605) USER MOD Single : A 26 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.0892 K(o=0.089,f=-1.3) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -70:sc= 1.8 USER MOD Single : A 42 GLN : amide:sc= 0.927 K(o=0.93,f=-4.8!) USER MOD Single : A 46 TYR OH : rot -163:sc= 0.742 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 157:sc= 1.67 USER MOD Single : A 52 ASN : amide:sc= -0.579 K(o=-0.58,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0.727 (180deg=-0.436!) USER MOD Single : A 56 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.33) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -172:sc= 0 (180deg=-0.0216) USER MOD Single : A 65 SER OG : rot -70:sc= 1.27 USER MOD Single : A 67 TYR OH : rot -112:sc= 0.882 USER MOD Single : A 69 THR OG1 : rot 68:sc= 0.603 USER MOD Single : A 70 ASN : amide:sc= 0.398 K(o=0.4,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.158) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 146:sc= 0.659 (180deg=-0.424) USER MOD Single : A 80 MET CE :methyl 178:sc= -0.274 (180deg=-0.276) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.679) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 96 THR OG1 : rot 74:sc= 1.72 USER MOD Single : A 97 TYR OH : rot 150:sc= 0.108 USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0.0612 (180deg=-0.249!) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 1.76 (180deg=1.59) USER MOD Single : A 102 THR OG1 : rot 71:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -11.570 -8.401 14.184 1.00 0.00 N ATOM 2 CA THR A -5 -10.733 -8.694 13.007 1.00 0.00 C ATOM 3 C THR A -5 -11.307 -9.917 12.335 1.00 0.00 C ATOM 4 O THR A -5 -11.419 -10.950 12.978 1.00 0.00 O ATOM 5 CB THR A -5 -9.276 -8.957 13.414 1.00 0.00 C ATOM 6 OG1 THR A -5 -9.206 -9.469 14.727 1.00 0.00 O ATOM 7 CG2 THR A -5 -8.483 -7.657 13.432 1.00 0.00 C ATOM 0 H1 THR A -5 -11.688 -7.372 14.278 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.502 -8.847 14.067 1.00 0.00 H new ATOM 0 H3 THR A -5 -11.111 -8.776 15.038 1.00 0.00 H new ATOM 0 HA THR A -5 -10.734 -7.839 12.331 1.00 0.00 H new ATOM 0 HB THR A -5 -8.871 -9.665 12.690 1.00 0.00 H new ATOM 0 HG1 THR A -5 -8.269 -9.631 14.965 1.00 0.00 H new ATOM 0 HG21 THR A -5 -7.453 -7.863 13.723 1.00 0.00 H new ATOM 0 HG22 THR A -5 -8.497 -7.209 12.439 1.00 0.00 H new ATOM 0 HG23 THR A -5 -8.931 -6.968 14.148 1.00 0.00 H new ATOM 17 N GLU A -4 -11.755 -9.799 11.090 1.00 0.00 N ATOM 18 CA GLU A -4 -12.356 -10.888 10.318 1.00 0.00 C ATOM 19 C GLU A -4 -12.258 -10.470 8.855 1.00 0.00 C ATOM 20 O GLU A -4 -13.072 -9.682 8.377 1.00 0.00 O ATOM 21 CB GLU A -4 -13.812 -11.160 10.757 1.00 0.00 C ATOM 22 CG GLU A -4 -14.384 -12.465 10.175 1.00 0.00 C ATOM 23 CD GLU A -4 -15.263 -12.272 8.932 1.00 0.00 C ATOM 24 OE1 GLU A -4 -16.391 -11.729 9.045 1.00 0.00 O ATOM 25 OE2 GLU A -4 -14.917 -12.791 7.848 1.00 0.00 O ATOM 0 H GLU A -4 -11.710 -8.921 10.573 1.00 0.00 H new ATOM 0 HA GLU A -4 -11.833 -11.830 10.484 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -13.855 -11.205 11.845 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -14.441 -10.325 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -13.557 -13.129 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -14.970 -12.966 10.945 1.00 0.00 H new ATOM 32 N PHE A -3 -11.168 -10.863 8.193 1.00 0.00 N ATOM 33 CA PHE A -3 -10.951 -10.630 6.758 1.00 0.00 C ATOM 34 C PHE A -3 -11.996 -11.369 5.896 1.00 0.00 C ATOM 35 O PHE A -3 -11.726 -12.362 5.218 1.00 0.00 O ATOM 36 CB PHE A -3 -9.494 -10.918 6.349 1.00 0.00 C ATOM 37 CG PHE A -3 -9.185 -10.601 4.889 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.435 -9.315 4.364 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.660 -11.596 4.041 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.228 -9.050 2.997 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.435 -11.326 2.678 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.746 -10.061 2.149 1.00 0.00 C ATOM 0 H PHE A -3 -10.398 -11.359 8.642 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.107 -9.569 6.562 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.827 -10.336 6.985 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -9.276 -11.970 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.787 -8.529 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.429 -12.573 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.440 -8.068 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.023 -12.092 2.038 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.615 -9.867 1.095 1.00 0.00 H new ATOM 52 N LYS A -2 -13.214 -10.829 5.910 1.00 0.00 N ATOM 53 CA LYS A -2 -14.289 -11.125 4.975 1.00 0.00 C ATOM 54 C LYS A -2 -13.876 -10.570 3.619 1.00 0.00 C ATOM 55 O LYS A -2 -14.043 -9.373 3.373 1.00 0.00 O ATOM 56 CB LYS A -2 -15.609 -10.538 5.495 1.00 0.00 C ATOM 57 CG LYS A -2 -16.796 -10.964 4.616 1.00 0.00 C ATOM 58 CD LYS A -2 -18.108 -11.095 5.408 1.00 0.00 C ATOM 59 CE LYS A -2 -18.373 -12.531 5.892 1.00 0.00 C ATOM 60 NZ LYS A -2 -17.433 -12.978 6.947 1.00 0.00 N ATOM 0 H LYS A -2 -13.487 -10.139 6.610 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.459 -12.197 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -15.777 -10.867 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -15.542 -9.450 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -16.931 -10.235 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.567 -11.918 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -18.075 -10.427 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -18.939 -10.769 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -19.392 -12.596 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -18.305 -13.211 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -17.676 -13.946 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -16.462 -12.962 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -17.501 -12.340 7.766 1.00 0.00 H new ATOM 74 N ALA A -1 -13.268 -11.425 2.804 1.00 0.00 N ATOM 75 CA ALA A -1 -12.706 -11.063 1.504 1.00 0.00 C ATOM 76 C ALA A -1 -13.721 -10.328 0.605 1.00 0.00 C ATOM 77 O ALA A -1 -14.927 -10.583 0.664 1.00 0.00 O ATOM 78 CB ALA A -1 -12.175 -12.334 0.834 1.00 0.00 C ATOM 0 H ALA A -1 -13.149 -12.412 3.032 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.889 -10.358 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -11.751 -12.083 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -11.404 -12.781 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -12.992 -13.044 0.702 1.00 0.00 H new ATOM 84 N GLY A 1 -13.222 -9.421 -0.236 1.00 0.00 N ATOM 85 CA GLY A 1 -14.022 -8.577 -1.117 1.00 0.00 C ATOM 86 C GLY A 1 -13.990 -9.051 -2.567 1.00 0.00 C ATOM 87 O GLY A 1 -13.880 -10.237 -2.868 1.00 0.00 O ATOM 0 H GLY A 1 -12.220 -9.250 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.053 -8.564 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.655 -7.552 -1.065 1.00 0.00 H new ATOM 91 N SER A 2 -14.097 -8.103 -3.490 1.00 0.00 N ATOM 92 CA SER A 2 -14.051 -8.327 -4.935 1.00 0.00 C ATOM 93 C SER A 2 -12.879 -7.581 -5.553 1.00 0.00 C ATOM 94 O SER A 2 -12.827 -6.351 -5.518 1.00 0.00 O ATOM 95 CB SER A 2 -15.352 -7.877 -5.592 1.00 0.00 C ATOM 96 OG SER A 2 -15.268 -8.086 -6.992 1.00 0.00 O ATOM 0 H SER A 2 -14.223 -7.120 -3.247 1.00 0.00 H new ATOM 0 HA SER A 2 -13.922 -9.396 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.193 -8.435 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.534 -6.823 -5.380 1.00 0.00 H new ATOM 0 HG SER A 2 -16.103 -7.799 -7.416 1.00 0.00 H new ATOM 102 N ALA A 3 -11.955 -8.311 -6.186 1.00 0.00 N ATOM 103 CA ALA A 3 -10.775 -7.723 -6.824 1.00 0.00 C ATOM 104 C ALA A 3 -11.091 -6.599 -7.840 1.00 0.00 C ATOM 105 O ALA A 3 -10.223 -5.783 -8.124 1.00 0.00 O ATOM 106 CB ALA A 3 -9.946 -8.847 -7.458 1.00 0.00 C ATOM 0 H ALA A 3 -12.005 -9.326 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.199 -7.222 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.064 -8.423 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.636 -9.551 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.548 -9.367 -8.203 1.00 0.00 H new ATOM 112 N LYS A 4 -12.335 -6.487 -8.341 1.00 0.00 N ATOM 113 CA LYS A 4 -12.767 -5.371 -9.203 1.00 0.00 C ATOM 114 C LYS A 4 -13.414 -4.180 -8.486 1.00 0.00 C ATOM 115 O LYS A 4 -13.335 -3.068 -8.998 1.00 0.00 O ATOM 116 CB LYS A 4 -13.596 -5.907 -10.378 1.00 0.00 C ATOM 117 CG LYS A 4 -13.747 -4.850 -11.488 1.00 0.00 C ATOM 118 CD LYS A 4 -14.043 -5.452 -12.865 1.00 0.00 C ATOM 119 CE LYS A 4 -12.795 -6.149 -13.430 1.00 0.00 C ATOM 120 NZ LYS A 4 -13.029 -6.641 -14.807 1.00 0.00 N ATOM 0 H LYS A 4 -13.071 -7.170 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.854 -4.922 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.119 -6.799 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.582 -6.207 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.550 -4.164 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.831 -4.262 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.862 -6.167 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.369 -4.668 -13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.956 -5.454 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.519 -6.984 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.169 -7.106 -15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.815 -7.323 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.268 -5.840 -15.426 1.00 0.00 H new ATOM 134 N LYS A 5 -13.958 -4.385 -7.287 1.00 0.00 N ATOM 135 CA LYS A 5 -14.301 -3.294 -6.351 1.00 0.00 C ATOM 136 C LYS A 5 -13.034 -2.669 -5.781 1.00 0.00 C ATOM 137 O LYS A 5 -12.887 -1.453 -5.800 1.00 0.00 O ATOM 138 CB LYS A 5 -15.200 -3.769 -5.199 1.00 0.00 C ATOM 139 CG LYS A 5 -16.678 -3.914 -5.600 1.00 0.00 C ATOM 140 CD LYS A 5 -17.587 -4.012 -4.363 1.00 0.00 C ATOM 141 CE LYS A 5 -17.428 -5.353 -3.636 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.699 -5.220 -2.186 1.00 0.00 N ATOM 0 H LYS A 5 -14.178 -5.314 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.859 -2.552 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.834 -4.729 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.123 -3.063 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.978 -3.060 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.804 -4.803 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.354 -3.198 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.626 -3.885 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.109 -6.086 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.417 -5.731 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.501 -6.124 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.090 -4.478 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.697 -4.965 -2.041 1.00 0.00 H new ATOM 156 N GLY A 6 -12.088 -3.500 -5.335 1.00 0.00 N ATOM 157 CA GLY A 6 -10.779 -3.014 -4.904 1.00 0.00 C ATOM 158 C GLY A 6 -10.047 -2.239 -6.005 1.00 0.00 C ATOM 159 O GLY A 6 -9.423 -1.219 -5.719 1.00 0.00 O ATOM 0 H GLY A 6 -12.206 -4.511 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.903 -2.371 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.166 -3.860 -4.591 1.00 0.00 H new ATOM 163 N ALA A 7 -10.192 -2.665 -7.266 1.00 0.00 N ATOM 164 CA ALA A 7 -9.698 -1.926 -8.424 1.00 0.00 C ATOM 165 C ALA A 7 -10.345 -0.538 -8.557 1.00 0.00 C ATOM 166 O ALA A 7 -9.622 0.455 -8.638 1.00 0.00 O ATOM 167 CB ALA A 7 -9.895 -2.745 -9.705 1.00 0.00 C ATOM 0 H ALA A 7 -10.659 -3.539 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.632 -1.761 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.522 -2.180 -10.559 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.348 -3.684 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.956 -2.954 -9.844 1.00 0.00 H new ATOM 173 N THR A 8 -11.682 -0.431 -8.609 1.00 0.00 N ATOM 174 CA THR A 8 -12.353 0.882 -8.724 1.00 0.00 C ATOM 175 C THR A 8 -12.100 1.800 -7.524 1.00 0.00 C ATOM 176 O THR A 8 -12.021 3.014 -7.705 1.00 0.00 O ATOM 177 CB THR A 8 -13.865 0.762 -8.971 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.475 -0.107 -8.052 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.171 0.223 -10.367 1.00 0.00 C ATOM 0 H THR A 8 -12.318 -1.227 -8.574 1.00 0.00 H new ATOM 0 HA THR A 8 -11.896 1.341 -9.601 1.00 0.00 H new ATOM 0 HB THR A 8 -14.260 1.772 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.828 -0.358 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.250 0.153 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.755 0.896 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.727 -0.766 -10.481 1.00 0.00 H new ATOM 187 N LEU A 9 -11.874 1.239 -6.331 1.00 0.00 N ATOM 188 CA LEU A 9 -11.431 1.952 -5.132 1.00 0.00 C ATOM 189 C LEU A 9 -10.020 2.487 -5.338 1.00 0.00 C ATOM 190 O LEU A 9 -9.826 3.696 -5.386 1.00 0.00 O ATOM 191 CB LEU A 9 -11.491 1.037 -3.895 1.00 0.00 C ATOM 192 CG LEU A 9 -12.926 0.867 -3.385 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.016 -0.351 -2.471 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.400 2.086 -2.585 1.00 0.00 C ATOM 0 H LEU A 9 -12.000 0.240 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.104 2.792 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.075 0.061 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.870 1.455 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.560 0.747 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.040 -0.463 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.725 -1.244 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.348 -0.218 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.422 1.922 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.748 2.232 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.367 2.972 -3.219 1.00 0.00 H new ATOM 206 N PHE A 10 -9.040 1.598 -5.520 1.00 0.00 N ATOM 207 CA PHE A 10 -7.634 1.929 -5.791 1.00 0.00 C ATOM 208 C PHE A 10 -7.486 3.044 -6.837 1.00 0.00 C ATOM 209 O PHE A 10 -6.717 3.994 -6.638 1.00 0.00 O ATOM 210 CB PHE A 10 -6.896 0.652 -6.231 1.00 0.00 C ATOM 211 CG PHE A 10 -5.462 0.859 -6.689 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.427 0.935 -5.741 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.149 0.930 -8.062 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.102 1.158 -6.154 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.812 1.107 -8.474 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.792 1.256 -7.518 1.00 0.00 C ATOM 0 H PHE A 10 -9.207 0.592 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.188 2.314 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.897 -0.054 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.457 0.189 -7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.651 0.822 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.934 0.849 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.319 1.254 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.571 1.128 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.776 1.445 -7.832 1.00 0.00 H new ATOM 226 N LYS A 11 -8.269 2.968 -7.926 1.00 0.00 N ATOM 227 CA LYS A 11 -8.227 3.927 -9.047 1.00 0.00 C ATOM 228 C LYS A 11 -8.574 5.377 -8.659 1.00 0.00 C ATOM 229 O LYS A 11 -8.153 6.290 -9.362 1.00 0.00 O ATOM 230 CB LYS A 11 -9.103 3.409 -10.205 1.00 0.00 C ATOM 231 CG LYS A 11 -8.552 3.863 -11.565 1.00 0.00 C ATOM 232 CD LYS A 11 -9.316 3.259 -12.751 1.00 0.00 C ATOM 233 CE LYS A 11 -8.703 3.668 -14.104 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.325 3.132 -14.304 1.00 0.00 N ATOM 0 H LYS A 11 -8.960 2.229 -8.056 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.189 3.983 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.147 2.320 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.123 3.773 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.598 4.950 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.501 3.584 -11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.315 2.172 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.357 3.581 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.346 3.314 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.677 4.756 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.010 3.337 -15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.676 3.581 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.327 2.103 -14.151 1.00 0.00 H new ATOM 248 N THR A 12 -9.260 5.590 -7.530 1.00 0.00 N ATOM 249 CA THR A 12 -9.553 6.901 -6.914 1.00 0.00 C ATOM 250 C THR A 12 -9.293 6.899 -5.389 1.00 0.00 C ATOM 251 O THR A 12 -10.065 7.405 -4.568 1.00 0.00 O ATOM 252 CB THR A 12 -10.942 7.403 -7.356 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.144 8.726 -6.930 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.128 6.561 -6.890 1.00 0.00 C ATOM 0 H THR A 12 -9.648 4.817 -6.989 1.00 0.00 H new ATOM 0 HA THR A 12 -8.847 7.644 -7.286 1.00 0.00 H new ATOM 0 HB THR A 12 -10.918 7.324 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.011 8.782 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.054 7.003 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.031 5.548 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.147 6.530 -5.801 1.00 0.00 H new ATOM 262 N ARG A 13 -8.171 6.283 -4.985 1.00 0.00 N ATOM 263 CA ARG A 13 -7.585 6.336 -3.627 1.00 0.00 C ATOM 264 C ARG A 13 -6.056 6.402 -3.642 1.00 0.00 C ATOM 265 O ARG A 13 -5.466 7.146 -2.868 1.00 0.00 O ATOM 266 CB ARG A 13 -8.005 5.099 -2.809 1.00 0.00 C ATOM 267 CG ARG A 13 -9.498 4.962 -2.490 1.00 0.00 C ATOM 268 CD ARG A 13 -10.040 6.030 -1.540 1.00 0.00 C ATOM 269 NE ARG A 13 -11.453 5.749 -1.214 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.497 6.017 -1.980 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.383 6.644 -3.119 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.694 5.644 -1.622 1.00 0.00 N ATOM 0 H ARG A 13 -7.619 5.707 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.965 7.250 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.689 4.208 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.455 5.110 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.062 5.002 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.675 3.980 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.445 6.051 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.954 7.015 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.641 5.307 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.465 6.945 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.212 6.833 -3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.831 5.141 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.494 5.855 -2.219 1.00 0.00 H new ATOM 286 N CYS A 14 -5.433 5.595 -4.501 1.00 0.00 N ATOM 287 CA CYS A 14 -4.002 5.289 -4.437 1.00 0.00 C ATOM 288 C CYS A 14 -3.290 5.511 -5.776 1.00 0.00 C ATOM 289 O CYS A 14 -2.119 5.888 -5.783 1.00 0.00 O ATOM 290 CB CYS A 14 -3.804 3.826 -4.027 1.00 0.00 C ATOM 291 SG CYS A 14 -4.981 3.084 -2.846 1.00 0.00 S ATOM 0 H CYS A 14 -5.913 5.129 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.569 5.968 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.821 3.223 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.805 3.734 -3.601 1.00 0.00 H new ATOM 296 N LEU A 15 -3.980 5.323 -6.916 1.00 0.00 N ATOM 297 CA LEU A 15 -3.399 5.455 -8.263 1.00 0.00 C ATOM 298 C LEU A 15 -2.750 6.833 -8.519 1.00 0.00 C ATOM 299 O LEU A 15 -1.735 6.920 -9.209 1.00 0.00 O ATOM 300 CB LEU A 15 -4.487 5.164 -9.313 1.00 0.00 C ATOM 301 CG LEU A 15 -3.919 5.017 -10.743 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.523 3.576 -11.048 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.937 5.469 -11.791 1.00 0.00 C ATOM 0 H LEU A 15 -4.969 5.072 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.591 4.727 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.012 4.249 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.222 5.969 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.034 5.651 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.128 3.514 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.760 3.251 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.398 2.932 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.509 5.354 -12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.837 4.860 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.191 6.516 -11.624 1.00 0.00 H new ATOM 315 N GLN A 16 -3.286 7.894 -7.900 1.00 0.00 N ATOM 316 CA GLN A 16 -2.719 9.250 -7.905 1.00 0.00 C ATOM 317 C GLN A 16 -1.259 9.341 -7.411 1.00 0.00 C ATOM 318 O GLN A 16 -0.577 10.316 -7.723 1.00 0.00 O ATOM 319 CB GLN A 16 -3.634 10.191 -7.098 1.00 0.00 C ATOM 320 CG GLN A 16 -3.761 9.826 -5.608 1.00 0.00 C ATOM 321 CD GLN A 16 -4.623 10.837 -4.859 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.837 10.871 -4.979 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.037 11.698 -4.056 1.00 0.00 N ATOM 0 H GLN A 16 -4.153 7.830 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.677 9.562 -8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.252 11.209 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.627 10.187 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.197 8.832 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.770 9.785 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.023 11.683 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.596 12.381 -3.545 1.00 0.00 H new ATOM 332 N CYS A 17 -0.768 8.337 -6.672 1.00 0.00 N ATOM 333 CA CYS A 17 0.603 8.282 -6.148 1.00 0.00 C ATOM 334 C CYS A 17 1.378 6.996 -6.477 1.00 0.00 C ATOM 335 O CYS A 17 2.612 7.037 -6.488 1.00 0.00 O ATOM 336 CB CYS A 17 0.590 8.450 -4.625 1.00 0.00 C ATOM 337 SG CYS A 17 -0.031 10.040 -3.995 1.00 0.00 S ATOM 0 H CYS A 17 -1.326 7.522 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 17 1.122 9.099 -6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.017 7.652 -4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.606 8.309 -4.257 1.00 0.00 H new ATOM 342 N HIS A 18 0.688 5.878 -6.739 1.00 0.00 N ATOM 343 CA HIS A 18 1.262 4.532 -6.838 1.00 0.00 C ATOM 344 C HIS A 18 0.935 3.803 -8.146 1.00 0.00 C ATOM 345 O HIS A 18 -0.049 4.075 -8.832 1.00 0.00 O ATOM 346 CB HIS A 18 0.737 3.675 -5.676 1.00 0.00 C ATOM 347 CG HIS A 18 1.391 3.965 -4.354 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.726 3.804 -4.067 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.754 4.316 -3.195 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.891 4.051 -2.761 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.713 4.360 -2.184 1.00 0.00 N ATOM 0 H HIS A 18 -0.320 5.888 -6.893 1.00 0.00 H new ATOM 0 HA HIS A 18 2.343 4.664 -6.804 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.337 3.832 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.885 2.623 -5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.458 3.544 -4.728 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.300 4.522 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.837 4.008 -2.242 1.00 0.00 H new ATOM 359 N THR A 19 1.730 2.774 -8.418 1.00 0.00 N ATOM 360 CA THR A 19 1.585 1.834 -9.532 1.00 0.00 C ATOM 361 C THR A 19 1.647 0.386 -9.017 1.00 0.00 C ATOM 362 O THR A 19 2.175 0.135 -7.936 1.00 0.00 O ATOM 363 CB THR A 19 2.642 2.129 -10.599 1.00 0.00 C ATOM 364 OG1 THR A 19 3.938 2.226 -10.047 1.00 0.00 O ATOM 365 CG2 THR A 19 2.387 3.447 -11.329 1.00 0.00 C ATOM 0 H THR A 19 2.540 2.558 -7.836 1.00 0.00 H new ATOM 0 HA THR A 19 0.609 1.960 -10.000 1.00 0.00 H new ATOM 0 HB THR A 19 2.573 1.290 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.422 2.961 -10.477 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.166 3.607 -12.074 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.416 3.408 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.397 4.268 -10.612 1.00 0.00 H new ATOM 373 N VAL A 20 1.016 -0.562 -9.725 1.00 0.00 N ATOM 374 CA VAL A 20 0.860 -1.975 -9.277 1.00 0.00 C ATOM 375 C VAL A 20 0.894 -3.013 -10.412 1.00 0.00 C ATOM 376 O VAL A 20 0.946 -4.218 -10.190 1.00 0.00 O ATOM 377 CB VAL A 20 -0.416 -2.100 -8.421 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.711 -2.035 -9.236 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.428 -3.340 -7.517 1.00 0.00 C ATOM 0 H VAL A 20 0.592 -0.379 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 20 1.735 -2.215 -8.674 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.383 -1.219 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.567 -2.130 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.764 -1.081 -9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.726 -2.848 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.355 -3.363 -6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.358 -4.238 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.420 -3.300 -6.834 1.00 0.00 H new ATOM 389 N GLU A 21 0.926 -2.538 -11.648 1.00 0.00 N ATOM 390 CA GLU A 21 1.401 -3.271 -12.827 1.00 0.00 C ATOM 391 C GLU A 21 2.941 -3.265 -12.816 1.00 0.00 C ATOM 392 O GLU A 21 3.546 -2.259 -12.434 1.00 0.00 O ATOM 393 CB GLU A 21 0.901 -2.611 -14.134 1.00 0.00 C ATOM 394 CG GLU A 21 -0.182 -1.520 -13.959 1.00 0.00 C ATOM 395 CD GLU A 21 -0.521 -0.788 -15.260 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.426 -0.227 -15.847 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.728 -0.748 -15.608 1.00 0.00 O ATOM 0 H GLU A 21 0.611 -1.594 -11.873 1.00 0.00 H new ATOM 0 HA GLU A 21 1.014 -4.289 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.756 -2.171 -14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.505 -3.390 -14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.088 -1.978 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.159 -0.795 -13.221 1.00 0.00 H new ATOM 404 N LYS A 22 3.624 -4.331 -13.262 1.00 0.00 N ATOM 405 CA LYS A 22 5.086 -4.407 -13.130 1.00 0.00 C ATOM 406 C LYS A 22 5.884 -3.467 -14.049 1.00 0.00 C ATOM 407 O LYS A 22 7.055 -3.219 -13.788 1.00 0.00 O ATOM 408 CB LYS A 22 5.539 -5.863 -13.267 1.00 0.00 C ATOM 409 CG LYS A 22 6.845 -6.022 -12.482 1.00 0.00 C ATOM 410 CD LYS A 22 7.369 -7.445 -12.538 1.00 0.00 C ATOM 411 CE LYS A 22 8.671 -7.623 -11.716 1.00 0.00 C ATOM 412 NZ LYS A 22 9.612 -6.448 -11.720 1.00 0.00 N ATOM 0 H LYS A 22 3.195 -5.140 -13.710 1.00 0.00 H new ATOM 0 HA LYS A 22 5.317 -4.037 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.776 -6.539 -12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.690 -6.119 -14.316 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.596 -5.342 -12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.681 -5.736 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.607 -8.126 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.556 -7.721 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.400 -7.844 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.204 -8.493 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.571 -6.771 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.618 -6.012 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.297 -5.749 -11.017 1.00 0.00 H new ATOM 426 N GLY A 23 5.273 -2.911 -15.097 1.00 0.00 N ATOM 427 CA GLY A 23 5.894 -1.825 -15.869 1.00 0.00 C ATOM 428 C GLY A 23 5.742 -0.448 -15.209 1.00 0.00 C ATOM 429 O GLY A 23 6.354 0.515 -15.655 1.00 0.00 O ATOM 0 H GLY A 23 4.351 -3.192 -15.432 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.954 -2.042 -16.001 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.449 -1.795 -16.863 1.00 0.00 H new ATOM 433 N GLY A 24 4.923 -0.348 -14.159 1.00 0.00 N ATOM 434 CA GLY A 24 4.515 0.902 -13.537 1.00 0.00 C ATOM 435 C GLY A 24 5.694 1.697 -12.963 1.00 0.00 C ATOM 436 O GLY A 24 6.282 1.244 -11.976 1.00 0.00 O ATOM 0 H GLY A 24 4.515 -1.166 -13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.994 1.515 -14.273 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.804 0.689 -12.739 1.00 0.00 H new ATOM 440 N PRO A 25 6.039 2.878 -13.508 1.00 0.00 N ATOM 441 CA PRO A 25 7.108 3.687 -12.942 1.00 0.00 C ATOM 442 C PRO A 25 6.746 4.136 -11.522 1.00 0.00 C ATOM 443 O PRO A 25 5.579 4.393 -11.202 1.00 0.00 O ATOM 444 CB PRO A 25 7.292 4.861 -13.908 1.00 0.00 C ATOM 445 CG PRO A 25 5.921 4.999 -14.569 1.00 0.00 C ATOM 446 CD PRO A 25 5.419 3.558 -14.637 1.00 0.00 C ATOM 0 HA PRO A 25 8.042 3.134 -12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.577 5.772 -13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.072 4.658 -14.641 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.253 5.631 -13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.995 5.447 -15.560 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.332 3.517 -14.571 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.699 3.089 -15.580 1.00 0.00 H new ATOM 454 N HIS A 26 7.759 4.245 -10.666 1.00 0.00 N ATOM 455 CA HIS A 26 7.645 4.926 -9.381 1.00 0.00 C ATOM 456 C HIS A 26 7.333 6.413 -9.615 1.00 0.00 C ATOM 457 O HIS A 26 7.770 6.990 -10.612 1.00 0.00 O ATOM 458 CB HIS A 26 8.961 4.763 -8.615 1.00 0.00 C ATOM 459 CG HIS A 26 9.480 3.347 -8.493 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.727 2.198 -8.420 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.795 2.979 -8.390 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.570 1.168 -8.218 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.832 1.600 -8.179 1.00 0.00 N ATOM 0 H HIS A 26 8.687 3.861 -10.846 1.00 0.00 H new ATOM 0 HA HIS A 26 6.836 4.492 -8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.723 5.368 -9.106 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.829 5.169 -7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.649 3.637 -8.459 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.268 0.138 -8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.664 1.031 -8.025 1.00 0.00 H new ATOM 471 N LYS A 27 6.586 7.046 -8.709 1.00 0.00 N ATOM 472 CA LYS A 27 6.172 8.452 -8.817 1.00 0.00 C ATOM 473 C LYS A 27 6.197 9.134 -7.442 1.00 0.00 C ATOM 474 O LYS A 27 7.274 9.243 -6.855 1.00 0.00 O ATOM 475 CB LYS A 27 4.841 8.498 -9.602 1.00 0.00 C ATOM 476 CG LYS A 27 4.584 9.861 -10.265 1.00 0.00 C ATOM 477 CD LYS A 27 3.425 9.767 -11.270 1.00 0.00 C ATOM 478 CE LYS A 27 3.305 11.073 -12.065 1.00 0.00 C ATOM 479 NZ LYS A 27 2.336 10.945 -13.184 1.00 0.00 N ATOM 0 H LYS A 27 6.244 6.590 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 27 6.875 9.054 -9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.850 7.723 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.018 8.268 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.351 10.604 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.487 10.199 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.592 8.932 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.492 9.567 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.989 11.877 -11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.282 11.351 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.280 11.846 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.651 10.195 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.398 10.704 -12.805 1.00 0.00 H new ATOM 493 N VAL A 28 5.048 9.601 -6.944 1.00 0.00 N ATOM 494 CA VAL A 28 4.911 10.207 -5.610 1.00 0.00 C ATOM 495 C VAL A 28 5.312 9.199 -4.526 1.00 0.00 C ATOM 496 O VAL A 28 5.989 9.568 -3.572 1.00 0.00 O ATOM 497 CB VAL A 28 3.480 10.723 -5.372 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.406 11.586 -4.110 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.934 11.555 -6.545 1.00 0.00 C ATOM 0 H VAL A 28 4.170 9.569 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 28 5.582 11.064 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 28 2.868 9.828 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.384 11.936 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.710 10.995 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.071 12.443 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.922 11.889 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.574 12.422 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.918 10.944 -7.448 1.00 0.00 H new ATOM 509 N GLY A 29 4.979 7.917 -4.742 1.00 0.00 N ATOM 510 CA GLY A 29 5.536 6.763 -4.035 1.00 0.00 C ATOM 511 C GLY A 29 6.072 5.674 -4.984 1.00 0.00 C ATOM 512 O GLY A 29 6.067 5.852 -6.207 1.00 0.00 O ATOM 0 H GLY A 29 4.287 7.650 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.343 7.098 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.767 6.332 -3.394 1.00 0.00 H new ATOM 516 N PRO A 30 6.547 4.539 -4.442 1.00 0.00 N ATOM 517 CA PRO A 30 7.055 3.417 -5.235 1.00 0.00 C ATOM 518 C PRO A 30 5.956 2.674 -6.025 1.00 0.00 C ATOM 519 O PRO A 30 4.778 3.027 -6.001 1.00 0.00 O ATOM 520 CB PRO A 30 7.759 2.515 -4.212 1.00 0.00 C ATOM 521 CG PRO A 30 6.985 2.766 -2.921 1.00 0.00 C ATOM 522 CD PRO A 30 6.660 4.252 -3.016 1.00 0.00 C ATOM 0 HA PRO A 30 7.731 3.758 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.718 1.466 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.812 2.775 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.083 2.156 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.582 2.537 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.731 4.484 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.443 4.855 -2.556 1.00 0.00 H new ATOM 530 N ASN A 31 6.337 1.613 -6.740 1.00 0.00 N ATOM 531 CA ASN A 31 5.392 0.589 -7.197 1.00 0.00 C ATOM 532 C ASN A 31 4.992 -0.304 -5.990 1.00 0.00 C ATOM 533 O ASN A 31 5.680 -0.308 -4.968 1.00 0.00 O ATOM 534 CB ASN A 31 6.047 -0.168 -8.376 1.00 0.00 C ATOM 535 CG ASN A 31 5.072 -0.987 -9.209 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.340 -1.823 -8.719 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.037 -0.819 -10.504 1.00 0.00 N ATOM 0 H ASN A 31 7.303 1.439 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 31 4.459 1.010 -7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.545 0.553 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.819 -0.831 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.407 -1.382 -11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.640 -0.124 -10.945 1.00 0.00 H new ATOM 544 N LEU A 32 3.888 -1.046 -6.094 1.00 0.00 N ATOM 545 CA LEU A 32 3.327 -1.951 -5.083 1.00 0.00 C ATOM 546 C LEU A 32 3.348 -3.439 -5.516 1.00 0.00 C ATOM 547 O LEU A 32 3.080 -4.329 -4.708 1.00 0.00 O ATOM 548 CB LEU A 32 1.894 -1.488 -4.748 1.00 0.00 C ATOM 549 CG LEU A 32 1.770 -0.045 -4.212 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.298 0.330 -4.022 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.486 0.142 -2.873 1.00 0.00 C ATOM 0 H LEU A 32 3.323 -1.031 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 32 3.957 -1.899 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.283 -1.577 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.474 -2.169 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 32 2.240 0.600 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.228 1.350 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.221 0.261 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.163 -0.354 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.369 1.173 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.054 -0.531 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.546 -0.083 -2.993 1.00 0.00 H new ATOM 563 N HIS A 33 3.673 -3.731 -6.780 1.00 0.00 N ATOM 564 CA HIS A 33 3.757 -5.057 -7.395 1.00 0.00 C ATOM 565 C HIS A 33 4.896 -5.894 -6.793 1.00 0.00 C ATOM 566 O HIS A 33 6.045 -5.816 -7.229 1.00 0.00 O ATOM 567 CB HIS A 33 3.944 -4.886 -8.909 1.00 0.00 C ATOM 568 CG HIS A 33 3.767 -6.165 -9.678 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.576 -6.663 -10.149 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.749 -7.056 -10.003 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.839 -7.829 -10.762 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.156 -8.087 -10.734 1.00 0.00 N ATOM 0 H HIS A 33 3.900 -2.993 -7.446 1.00 0.00 H new ATOM 0 HA HIS A 33 2.833 -5.599 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.230 -4.148 -9.275 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.940 -4.489 -9.102 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.659 -6.227 -10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.794 -6.978 -9.742 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.095 -8.469 -11.214 1.00 0.00 H new ATOM 580 N GLY A 34 4.580 -6.687 -5.767 1.00 0.00 N ATOM 581 CA GLY A 34 5.551 -7.484 -5.011 1.00 0.00 C ATOM 582 C GLY A 34 5.844 -6.970 -3.599 1.00 0.00 C ATOM 583 O GLY A 34 6.802 -7.441 -2.986 1.00 0.00 O ATOM 0 H GLY A 34 3.623 -6.796 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.183 -8.508 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.486 -7.519 -5.571 1.00 0.00 H new ATOM 587 N ILE A 35 5.063 -6.018 -3.065 1.00 0.00 N ATOM 588 CA ILE A 35 5.199 -5.634 -1.648 1.00 0.00 C ATOM 589 C ILE A 35 4.820 -6.777 -0.703 1.00 0.00 C ATOM 590 O ILE A 35 5.509 -6.962 0.290 1.00 0.00 O ATOM 591 CB ILE A 35 4.461 -4.328 -1.274 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.931 -4.334 -1.517 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.152 -3.155 -1.988 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.116 -4.613 -0.247 1.00 0.00 C ATOM 0 H ILE A 35 4.344 -5.508 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 35 6.260 -5.423 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 35 4.537 -4.221 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.632 -3.370 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.692 -5.088 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.644 -2.225 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.193 -3.098 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.110 -3.310 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.053 -4.603 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.388 -5.590 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.327 -3.845 0.497 1.00 0.00 H new ATOM 606 N PHE A 36 3.773 -7.558 -0.997 1.00 0.00 N ATOM 607 CA PHE A 36 3.326 -8.682 -0.165 1.00 0.00 C ATOM 608 C PHE A 36 4.413 -9.754 -0.016 1.00 0.00 C ATOM 609 O PHE A 36 4.779 -10.421 -0.981 1.00 0.00 O ATOM 610 CB PHE A 36 2.012 -9.270 -0.698 1.00 0.00 C ATOM 611 CG PHE A 36 0.826 -8.356 -0.472 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.311 -8.193 0.829 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.250 -7.651 -1.544 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.765 -7.320 1.062 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.832 -6.785 -1.312 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.338 -6.614 -0.009 1.00 0.00 C ATOM 0 H PHE A 36 3.204 -7.425 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 36 3.134 -8.295 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.114 -9.468 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.825 -10.228 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.745 -8.742 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.639 -7.775 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.151 -7.192 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.277 -6.248 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.165 -5.942 0.167 1.00 0.00 H new ATOM 626 N GLY A 37 4.937 -9.883 1.203 1.00 0.00 N ATOM 627 CA GLY A 37 6.051 -10.758 1.569 1.00 0.00 C ATOM 628 C GLY A 37 7.409 -10.050 1.620 1.00 0.00 C ATOM 629 O GLY A 37 8.385 -10.646 2.076 1.00 0.00 O ATOM 0 H GLY A 37 4.580 -9.356 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.847 -11.201 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.107 -11.577 0.852 1.00 0.00 H new ATOM 633 N ARG A 38 7.501 -8.794 1.162 1.00 0.00 N ATOM 634 CA ARG A 38 8.667 -7.915 1.328 1.00 0.00 C ATOM 635 C ARG A 38 8.613 -7.218 2.689 1.00 0.00 C ATOM 636 O ARG A 38 7.590 -7.213 3.367 1.00 0.00 O ATOM 637 CB ARG A 38 8.695 -6.879 0.181 1.00 0.00 C ATOM 638 CG ARG A 38 10.105 -6.504 -0.288 1.00 0.00 C ATOM 639 CD ARG A 38 10.713 -7.608 -1.164 1.00 0.00 C ATOM 640 NE ARG A 38 12.179 -7.466 -1.268 1.00 0.00 N ATOM 641 CZ ARG A 38 12.989 -8.045 -2.129 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.531 -8.761 -3.117 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.279 -7.919 -1.987 1.00 0.00 N ATOM 0 H ARG A 38 6.741 -8.347 0.649 1.00 0.00 H new ATOM 0 HA ARG A 38 9.580 -8.509 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.135 -7.275 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.180 -5.976 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.068 -5.570 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.744 -6.330 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.469 -8.584 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.271 -7.570 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 38 12.618 -6.843 -0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.525 -8.882 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.178 -9.200 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.656 -7.374 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.911 -8.366 -2.651 1.00 0.00 H new ATOM 657 N HIS A 39 9.716 -6.586 3.058 1.00 0.00 N ATOM 658 CA HIS A 39 9.737 -5.622 4.158 1.00 0.00 C ATOM 659 C HIS A 39 9.449 -4.221 3.622 1.00 0.00 C ATOM 660 O HIS A 39 9.753 -3.952 2.458 1.00 0.00 O ATOM 661 CB HIS A 39 11.098 -5.665 4.861 1.00 0.00 C ATOM 662 CG HIS A 39 11.314 -6.978 5.563 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.056 -8.041 5.097 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.714 -7.360 6.731 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.905 -9.050 5.975 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.091 -8.682 6.975 1.00 0.00 N ATOM 0 H HIS A 39 10.621 -6.723 2.608 1.00 0.00 H new ATOM 0 HA HIS A 39 8.966 -5.881 4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.891 -5.507 4.130 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.162 -4.850 5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.069 -6.753 7.349 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.373 -10.019 5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.802 -9.259 7.765 1.00 0.00 H new ATOM 674 N SER A 40 8.947 -3.321 4.475 1.00 0.00 N ATOM 675 CA SER A 40 8.870 -1.889 4.169 1.00 0.00 C ATOM 676 C SER A 40 10.207 -1.375 3.655 1.00 0.00 C ATOM 677 O SER A 40 11.246 -1.672 4.252 1.00 0.00 O ATOM 678 CB SER A 40 8.429 -1.031 5.363 1.00 0.00 C ATOM 679 OG SER A 40 7.344 -1.585 6.089 1.00 0.00 O ATOM 0 H SER A 40 8.583 -3.565 5.396 1.00 0.00 H new ATOM 0 HA SER A 40 8.105 -1.794 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.276 -0.897 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.148 -0.041 5.004 1.00 0.00 H new ATOM 0 HG SER A 40 6.527 -1.527 5.551 1.00 0.00 H new ATOM 685 N GLY A 41 10.169 -0.625 2.556 1.00 0.00 N ATOM 686 CA GLY A 41 11.348 0.085 2.056 1.00 0.00 C ATOM 687 C GLY A 41 12.233 -0.660 1.044 1.00 0.00 C ATOM 688 O GLY A 41 13.454 -0.558 1.157 1.00 0.00 O ATOM 0 H GLY A 41 9.330 -0.492 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.014 1.014 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.967 0.358 2.911 1.00 0.00 H new ATOM 692 N GLN A 42 11.686 -1.442 0.095 1.00 0.00 N ATOM 693 CA GLN A 42 12.492 -2.283 -0.825 1.00 0.00 C ATOM 694 C GLN A 42 12.107 -2.275 -2.333 1.00 0.00 C ATOM 695 O GLN A 42 12.437 -3.224 -3.048 1.00 0.00 O ATOM 696 CB GLN A 42 12.614 -3.714 -0.256 1.00 0.00 C ATOM 697 CG GLN A 42 13.467 -3.783 1.024 1.00 0.00 C ATOM 698 CD GLN A 42 14.090 -5.160 1.262 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.660 -6.195 0.757 1.00 0.00 O ATOM 700 NE2 GLN A 42 15.186 -5.239 1.989 1.00 0.00 N ATOM 0 H GLN A 42 10.680 -1.512 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 42 13.467 -1.797 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.617 -4.100 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.052 -4.364 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.261 -3.038 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.847 -3.520 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.571 -4.400 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.649 -6.139 2.117 1.00 0.00 H new ATOM 709 N ALA A 43 11.443 -1.237 -2.855 1.00 0.00 N ATOM 710 CA ALA A 43 11.245 -1.055 -4.307 1.00 0.00 C ATOM 711 C ALA A 43 12.553 -0.826 -5.106 1.00 0.00 C ATOM 712 O ALA A 43 13.614 -0.558 -4.540 1.00 0.00 O ATOM 713 CB ALA A 43 10.245 0.078 -4.536 1.00 0.00 C ATOM 0 H ALA A 43 11.027 -0.498 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 43 10.848 -1.993 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.093 0.219 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.295 -0.174 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.633 0.999 -4.100 1.00 0.00 H new ATOM 719 N GLU A 44 12.478 -0.961 -6.436 1.00 0.00 N ATOM 720 CA GLU A 44 13.626 -1.172 -7.337 1.00 0.00 C ATOM 721 C GLU A 44 14.488 0.110 -7.509 1.00 0.00 C ATOM 722 O GLU A 44 14.403 0.820 -8.507 1.00 0.00 O ATOM 723 CB GLU A 44 13.150 -1.824 -8.672 1.00 0.00 C ATOM 724 CG GLU A 44 12.419 -3.179 -8.446 1.00 0.00 C ATOM 725 CD GLU A 44 12.091 -4.023 -9.711 1.00 0.00 C ATOM 726 OE1 GLU A 44 13.031 -4.618 -10.279 1.00 0.00 O ATOM 727 OE2 GLU A 44 10.891 -4.210 -10.057 1.00 0.00 O ATOM 0 H GLU A 44 11.589 -0.926 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 44 14.311 -1.884 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.482 -1.136 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.010 -1.983 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.032 -3.788 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.485 -2.977 -7.922 1.00 0.00 H new ATOM 734 N GLY A 45 15.314 0.433 -6.501 1.00 0.00 N ATOM 735 CA GLY A 45 16.228 1.590 -6.491 1.00 0.00 C ATOM 736 C GLY A 45 15.628 2.905 -5.966 1.00 0.00 C ATOM 737 O GLY A 45 16.190 3.972 -6.199 1.00 0.00 O ATOM 0 H GLY A 45 15.367 -0.119 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.097 1.339 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.588 1.755 -7.507 1.00 0.00 H new ATOM 741 N TYR A 46 14.487 2.858 -5.272 1.00 0.00 N ATOM 742 CA TYR A 46 13.704 4.030 -4.845 1.00 0.00 C ATOM 743 C TYR A 46 13.906 4.396 -3.364 1.00 0.00 C ATOM 744 O TYR A 46 13.836 3.546 -2.482 1.00 0.00 O ATOM 745 CB TYR A 46 12.242 3.798 -5.234 1.00 0.00 C ATOM 746 CG TYR A 46 11.344 5.008 -5.052 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.836 5.309 -3.780 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.019 5.831 -6.150 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.927 6.373 -3.614 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.111 6.896 -5.994 1.00 0.00 C ATOM 751 CZ TYR A 46 9.540 7.147 -4.727 1.00 0.00 C ATOM 752 OH TYR A 46 8.625 8.136 -4.571 1.00 0.00 O ATOM 0 H TYR A 46 14.066 1.976 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 46 14.069 4.915 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.202 3.485 -6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.847 2.975 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.142 4.724 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.468 5.644 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.527 6.595 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.853 7.517 -6.839 1.00 0.00 H new ATOM 0 HH TYR A 46 8.267 8.392 -5.447 1.00 0.00 H new ATOM 762 N SER A 47 14.158 5.682 -3.085 1.00 0.00 N ATOM 763 CA SER A 47 14.500 6.205 -1.751 1.00 0.00 C ATOM 764 C SER A 47 13.281 6.568 -0.889 1.00 0.00 C ATOM 765 O SER A 47 12.652 7.611 -1.086 1.00 0.00 O ATOM 766 CB SER A 47 15.399 7.440 -1.871 1.00 0.00 C ATOM 767 OG SER A 47 16.628 7.096 -2.476 1.00 0.00 O ATOM 0 H SER A 47 14.129 6.409 -3.800 1.00 0.00 H new ATOM 0 HA SER A 47 15.021 5.389 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.898 8.207 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.579 7.865 -0.883 1.00 0.00 H new ATOM 0 HG SER A 47 17.192 7.894 -2.548 1.00 0.00 H new ATOM 773 N TYR A 48 12.989 5.731 0.105 1.00 0.00 N ATOM 774 CA TYR A 48 11.978 5.873 1.167 1.00 0.00 C ATOM 775 C TYR A 48 12.334 6.960 2.220 1.00 0.00 C ATOM 776 O TYR A 48 13.132 7.859 1.931 1.00 0.00 O ATOM 777 CB TYR A 48 11.803 4.477 1.788 1.00 0.00 C ATOM 778 CG TYR A 48 11.165 3.477 0.843 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.939 2.782 -0.110 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.786 3.219 0.940 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.335 1.833 -0.952 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.192 2.226 0.141 1.00 0.00 C ATOM 783 CZ TYR A 48 9.971 1.517 -0.796 1.00 0.00 C ATOM 784 OH TYR A 48 9.445 0.494 -1.515 1.00 0.00 O ATOM 0 H TYR A 48 13.498 4.852 0.202 1.00 0.00 H new ATOM 0 HA TYR A 48 11.039 6.230 0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.777 4.101 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.191 4.560 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.998 2.980 -0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.180 3.786 1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.917 1.345 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.140 2.007 0.245 1.00 0.00 H new ATOM 0 HH TYR A 48 8.640 0.160 -1.068 1.00 0.00 H new ATOM 794 N THR A 49 11.719 6.972 3.409 1.00 0.00 N ATOM 795 CA THR A 49 12.132 7.767 4.595 1.00 0.00 C ATOM 796 C THR A 49 12.892 6.949 5.637 1.00 0.00 C ATOM 797 O THR A 49 12.752 5.731 5.704 1.00 0.00 O ATOM 798 CB THR A 49 10.938 8.397 5.337 1.00 0.00 C ATOM 799 OG1 THR A 49 9.941 7.449 5.626 1.00 0.00 O ATOM 800 CG2 THR A 49 10.335 9.547 4.553 1.00 0.00 C ATOM 0 H THR A 49 10.887 6.410 3.589 1.00 0.00 H new ATOM 0 HA THR A 49 12.777 8.536 4.170 1.00 0.00 H new ATOM 0 HB THR A 49 11.331 8.783 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.280 7.844 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.496 9.965 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.090 10.318 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.986 9.185 3.586 1.00 0.00 H new ATOM 808 N ASP A 50 13.618 7.641 6.529 1.00 0.00 N ATOM 809 CA ASP A 50 14.226 7.056 7.732 1.00 0.00 C ATOM 810 C ASP A 50 13.203 6.265 8.575 1.00 0.00 C ATOM 811 O ASP A 50 13.458 5.122 8.951 1.00 0.00 O ATOM 812 CB ASP A 50 14.864 8.198 8.535 1.00 0.00 C ATOM 813 CG ASP A 50 15.613 7.693 9.765 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.717 7.122 9.618 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.122 7.866 10.899 1.00 0.00 O ATOM 0 H ASP A 50 13.801 8.640 6.432 1.00 0.00 H new ATOM 0 HA ASP A 50 14.987 6.331 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.552 8.749 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.088 8.898 8.846 1.00 0.00 H new ATOM 820 N ALA A 51 12.015 6.840 8.796 1.00 0.00 N ATOM 821 CA ALA A 51 10.897 6.199 9.488 1.00 0.00 C ATOM 822 C ALA A 51 10.355 4.940 8.771 1.00 0.00 C ATOM 823 O ALA A 51 10.096 3.941 9.441 1.00 0.00 O ATOM 824 CB ALA A 51 9.798 7.249 9.701 1.00 0.00 C ATOM 0 H ALA A 51 11.802 7.789 8.489 1.00 0.00 H new ATOM 0 HA ALA A 51 11.260 5.828 10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.953 6.792 10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.190 8.069 10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.469 7.633 8.735 1.00 0.00 H new ATOM 830 N ASN A 52 10.169 4.957 7.442 1.00 0.00 N ATOM 831 CA ASN A 52 9.722 3.775 6.686 1.00 0.00 C ATOM 832 C ASN A 52 10.762 2.636 6.744 1.00 0.00 C ATOM 833 O ASN A 52 10.408 1.474 6.934 1.00 0.00 O ATOM 834 CB ASN A 52 9.356 4.205 5.250 1.00 0.00 C ATOM 835 CG ASN A 52 8.825 3.060 4.391 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.502 2.093 4.118 1.00 0.00 O ATOM 837 ND2 ASN A 52 7.605 3.119 3.902 1.00 0.00 N ATOM 0 H ASN A 52 10.323 5.783 6.864 1.00 0.00 H new ATOM 0 HA ASN A 52 8.826 3.359 7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.605 4.994 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.237 4.631 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.255 2.364 3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.009 3.920 4.113 1.00 0.00 H new ATOM 844 N ILE A 53 12.051 2.977 6.691 1.00 0.00 N ATOM 845 CA ILE A 53 13.151 2.020 6.841 1.00 0.00 C ATOM 846 C ILE A 53 13.186 1.434 8.250 1.00 0.00 C ATOM 847 O ILE A 53 12.990 0.236 8.401 1.00 0.00 O ATOM 848 CB ILE A 53 14.484 2.678 6.446 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.487 3.032 4.938 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.692 1.775 6.771 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.565 4.052 4.550 1.00 0.00 C ATOM 0 H ILE A 53 12.365 3.936 6.541 1.00 0.00 H new ATOM 0 HA ILE A 53 12.984 1.183 6.163 1.00 0.00 H new ATOM 0 HB ILE A 53 14.579 3.590 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.636 2.120 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.509 3.427 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.613 2.279 6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.717 1.572 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.601 0.836 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.508 4.252 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.405 4.978 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.549 3.651 4.792 1.00 0.00 H new ATOM 863 N LYS A 54 13.352 2.246 9.300 1.00 0.00 N ATOM 864 CA LYS A 54 13.361 1.805 10.709 1.00 0.00 C ATOM 865 C LYS A 54 12.074 1.103 11.172 1.00 0.00 C ATOM 866 O LYS A 54 12.036 0.562 12.278 1.00 0.00 O ATOM 867 CB LYS A 54 13.690 3.005 11.608 1.00 0.00 C ATOM 868 CG LYS A 54 15.122 3.496 11.355 1.00 0.00 C ATOM 869 CD LYS A 54 15.441 4.720 12.213 1.00 0.00 C ATOM 870 CE LYS A 54 16.885 5.160 11.957 1.00 0.00 C ATOM 871 NZ LYS A 54 17.077 6.579 12.319 1.00 0.00 N ATOM 0 H LYS A 54 13.487 3.252 9.197 1.00 0.00 H new ATOM 0 HA LYS A 54 14.133 1.040 10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.984 3.813 11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.576 2.723 12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.829 2.697 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.244 3.745 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.754 5.533 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.303 4.484 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.567 4.538 12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.133 5.012 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.924 6.948 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.245 7.128 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.198 6.661 13.349 1.00 0.00 H new ATOM 885 N LYS A 55 11.033 1.097 10.331 1.00 0.00 N ATOM 886 CA LYS A 55 9.803 0.302 10.506 1.00 0.00 C ATOM 887 C LYS A 55 9.963 -1.158 10.044 1.00 0.00 C ATOM 888 O LYS A 55 9.372 -2.015 10.697 1.00 0.00 O ATOM 889 CB LYS A 55 8.644 1.034 9.798 1.00 0.00 C ATOM 890 CG LYS A 55 7.288 0.318 9.716 1.00 0.00 C ATOM 891 CD LYS A 55 6.442 0.331 10.999 1.00 0.00 C ATOM 892 CE LYS A 55 6.637 -0.933 11.845 1.00 0.00 C ATOM 893 NZ LYS A 55 5.463 -1.186 12.727 1.00 0.00 N ATOM 0 H LYS A 55 11.019 1.662 9.482 1.00 0.00 H new ATOM 0 HA LYS A 55 9.577 0.223 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.490 1.986 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.964 1.263 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.706 0.775 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.464 -0.719 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.704 1.206 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.389 0.428 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.793 -1.790 11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.535 -0.830 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.590 -2.092 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.381 -0.419 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.598 -1.225 12.151 1.00 0.00 H new ATOM 907 N ASN A 56 10.674 -1.396 8.926 1.00 0.00 N ATOM 908 CA ASN A 56 10.823 -2.640 8.137 1.00 0.00 C ATOM 909 C ASN A 56 9.727 -3.690 8.424 1.00 0.00 C ATOM 910 O ASN A 56 10.008 -4.809 8.848 1.00 0.00 O ATOM 911 CB ASN A 56 12.251 -3.230 8.281 1.00 0.00 C ATOM 912 CG ASN A 56 13.383 -2.532 7.534 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.514 -2.493 7.985 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.183 -2.032 6.335 1.00 0.00 N ATOM 0 H ASN A 56 11.218 -0.642 8.506 1.00 0.00 H new ATOM 0 HA ASN A 56 10.681 -2.357 7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.505 -3.241 9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.220 -4.268 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.962 -1.629 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.249 -2.047 5.925 1.00 0.00 H new ATOM 921 N VAL A 57 8.460 -3.339 8.193 1.00 0.00 N ATOM 922 CA VAL A 57 7.338 -4.251 8.441 1.00 0.00 C ATOM 923 C VAL A 57 7.222 -5.249 7.306 1.00 0.00 C ATOM 924 O VAL A 57 7.254 -4.856 6.143 1.00 0.00 O ATOM 925 CB VAL A 57 6.030 -3.469 8.692 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.891 -3.677 7.691 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.535 -3.837 10.092 1.00 0.00 C ATOM 0 H VAL A 57 8.183 -2.426 7.833 1.00 0.00 H new ATOM 0 HA VAL A 57 7.529 -4.818 9.352 1.00 0.00 H new ATOM 0 HB VAL A 57 6.293 -2.418 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.034 -3.071 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.222 -3.380 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.605 -4.729 7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.610 -3.301 10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.352 -4.910 10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.290 -3.562 10.829 1.00 0.00 H new ATOM 937 N LEU A 58 7.104 -6.538 7.624 1.00 0.00 N ATOM 938 CA LEU A 58 6.768 -7.553 6.630 1.00 0.00 C ATOM 939 C LEU A 58 5.324 -7.326 6.157 1.00 0.00 C ATOM 940 O LEU A 58 4.371 -7.556 6.895 1.00 0.00 O ATOM 941 CB LEU A 58 7.046 -8.959 7.188 1.00 0.00 C ATOM 942 CG LEU A 58 7.073 -10.044 6.089 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.968 -11.205 6.527 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.685 -10.613 5.781 1.00 0.00 C ATOM 0 H LEU A 58 7.237 -6.904 8.567 1.00 0.00 H new ATOM 0 HA LEU A 58 7.402 -7.468 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.002 -8.955 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.281 -9.211 7.923 1.00 0.00 H new ATOM 0 HG LEU A 58 7.455 -9.561 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.983 -11.967 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.981 -10.840 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.579 -11.637 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.767 -11.371 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.268 -11.063 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.030 -9.811 5.440 1.00 0.00 H new ATOM 956 N TRP A 59 5.171 -6.800 4.947 1.00 0.00 N ATOM 957 CA TRP A 59 3.873 -6.510 4.350 1.00 0.00 C ATOM 958 C TRP A 59 3.075 -7.797 4.099 1.00 0.00 C ATOM 959 O TRP A 59 3.424 -8.611 3.247 1.00 0.00 O ATOM 960 CB TRP A 59 4.066 -5.735 3.046 1.00 0.00 C ATOM 961 CG TRP A 59 4.630 -4.356 3.173 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.701 -3.868 2.507 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.136 -3.262 3.993 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.896 -2.547 2.871 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.991 -2.140 3.816 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.049 -3.104 4.870 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.820 -0.932 4.502 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.837 -1.895 5.546 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.726 -0.811 5.380 1.00 0.00 C ATOM 0 H TRP A 59 5.958 -6.559 4.344 1.00 0.00 H new ATOM 0 HA TRP A 59 3.301 -5.899 5.049 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.722 -6.315 2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.101 -5.665 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.307 -4.420 1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.625 -1.949 2.483 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.367 -3.927 5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.510 -0.113 4.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.985 -1.791 6.201 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.567 0.108 5.925 1.00 0.00 H new ATOM 980 N ASP A 60 1.994 -7.957 4.847 1.00 0.00 N ATOM 981 CA ASP A 60 1.081 -9.101 4.870 1.00 0.00 C ATOM 982 C ASP A 60 -0.373 -8.616 4.730 1.00 0.00 C ATOM 983 O ASP A 60 -0.645 -7.418 4.838 1.00 0.00 O ATOM 984 CB ASP A 60 1.376 -9.904 6.155 1.00 0.00 C ATOM 985 CG ASP A 60 0.153 -10.491 6.848 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.438 -11.432 6.292 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.258 -9.914 7.877 1.00 0.00 O ATOM 0 H ASP A 60 1.705 -7.236 5.508 1.00 0.00 H new ATOM 0 HA ASP A 60 1.232 -9.772 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.059 -10.717 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.896 -9.254 6.859 1.00 0.00 H new ATOM 992 N GLU A 61 -1.300 -9.541 4.485 1.00 0.00 N ATOM 993 CA GLU A 61 -2.740 -9.267 4.381 1.00 0.00 C ATOM 994 C GLU A 61 -3.216 -8.470 5.606 1.00 0.00 C ATOM 995 O GLU A 61 -3.687 -7.336 5.479 1.00 0.00 O ATOM 996 CB GLU A 61 -3.546 -10.572 4.196 1.00 0.00 C ATOM 997 CG GLU A 61 -3.304 -11.236 2.831 1.00 0.00 C ATOM 998 CD GLU A 61 -4.149 -12.513 2.664 1.00 0.00 C ATOM 999 OE1 GLU A 61 -3.693 -13.578 3.133 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.237 -12.419 2.045 1.00 0.00 O ATOM 0 H GLU A 61 -1.070 -10.525 4.350 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.916 -8.659 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.280 -11.273 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.609 -10.355 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.547 -10.532 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.247 -11.482 2.728 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.019 -9.020 6.811 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.341 -8.347 8.067 1.00 0.00 C ATOM 1009 C ASN A 62 -2.420 -7.128 8.305 1.00 0.00 C ATOM 1010 O ASN A 62 -2.920 -6.018 8.500 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.315 -9.404 9.186 1.00 0.00 C ATOM 1012 CG ASN A 62 -3.490 -8.820 10.573 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.587 -8.579 11.054 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.408 -8.597 11.281 1.00 0.00 N ATOM 0 H ASN A 62 -2.628 -9.953 6.938 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.342 -7.916 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.105 -10.133 9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.368 -9.943 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.486 -8.225 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.489 -8.796 10.885 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.094 -7.283 8.253 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.129 -6.218 8.561 1.00 0.00 C ATOM 1023 C ASN A 63 -0.282 -4.948 7.686 1.00 0.00 C ATOM 1024 O ASN A 63 -0.143 -3.838 8.198 1.00 0.00 O ATOM 1025 CB ASN A 63 1.294 -6.818 8.489 1.00 0.00 C ATOM 1026 CG ASN A 63 2.379 -6.031 9.213 1.00 0.00 C ATOM 1027 OD1 ASN A 63 3.346 -6.568 9.720 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.291 -4.732 9.313 1.00 0.00 N ATOM 0 H ASN A 63 -0.652 -8.164 7.992 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.332 -5.858 9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.265 -7.826 8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.577 -6.911 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.017 -4.208 9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.497 -4.242 8.902 1.00 0.00 H new ATOM 1035 N MET A 64 -0.571 -5.054 6.384 1.00 0.00 N ATOM 1036 CA MET A 64 -0.766 -3.869 5.529 1.00 0.00 C ATOM 1037 C MET A 64 -2.144 -3.201 5.749 1.00 0.00 C ATOM 1038 O MET A 64 -2.270 -1.981 5.630 1.00 0.00 O ATOM 1039 CB MET A 64 -0.504 -4.248 4.061 1.00 0.00 C ATOM 1040 CG MET A 64 0.006 -3.087 3.198 1.00 0.00 C ATOM 1041 SD MET A 64 -1.246 -2.028 2.432 1.00 0.00 S ATOM 1042 CE MET A 64 -1.861 -3.132 1.138 1.00 0.00 C ATOM 0 H MET A 64 -0.676 -5.944 5.897 1.00 0.00 H new ATOM 0 HA MET A 64 -0.041 -3.107 5.815 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.225 -5.058 4.030 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.426 -4.633 3.626 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.648 -2.460 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.631 -3.501 2.407 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.538 -2.583 0.483 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.022 -3.513 0.555 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.394 -3.966 1.594 1.00 0.00 H new ATOM 1052 N SER A 65 -3.168 -3.975 6.139 1.00 0.00 N ATOM 1053 CA SER A 65 -4.476 -3.446 6.564 1.00 0.00 C ATOM 1054 C SER A 65 -4.387 -2.573 7.824 1.00 0.00 C ATOM 1055 O SER A 65 -5.042 -1.529 7.891 1.00 0.00 O ATOM 1056 CB SER A 65 -5.488 -4.584 6.761 1.00 0.00 C ATOM 1057 OG SER A 65 -5.396 -5.192 8.028 1.00 0.00 O ATOM 0 H SER A 65 -3.113 -4.993 6.169 1.00 0.00 H new ATOM 0 HA SER A 65 -4.825 -2.799 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.496 -4.193 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.332 -5.339 5.990 1.00 0.00 H new ATOM 0 HG SER A 65 -4.566 -5.710 8.083 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.537 -2.946 8.786 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.226 -2.137 9.970 1.00 0.00 C ATOM 1065 C GLU A 66 -2.677 -0.764 9.548 1.00 0.00 C ATOM 1066 O GLU A 66 -3.300 0.267 9.813 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.226 -2.909 10.843 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.857 -2.158 12.126 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.717 -2.842 12.892 1.00 0.00 C ATOM 1070 OE1 GLU A 66 0.139 -3.510 12.260 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.628 -2.597 14.112 1.00 0.00 O ATOM 0 H GLU A 66 -3.037 -3.835 8.764 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.129 -1.954 10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.651 -3.878 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.321 -3.102 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.564 -1.138 11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.734 -2.089 12.769 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.558 -0.768 8.813 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.911 0.403 8.214 1.00 0.00 C ATOM 1080 C TYR A 67 -1.876 1.302 7.439 1.00 0.00 C ATOM 1081 O TYR A 67 -1.828 2.516 7.607 1.00 0.00 O ATOM 1082 CB TYR A 67 0.220 -0.087 7.304 1.00 0.00 C ATOM 1083 CG TYR A 67 0.843 0.943 6.379 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.485 2.069 6.921 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.830 0.754 4.984 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.154 2.982 6.087 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.511 1.654 4.141 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.192 2.760 4.693 1.00 0.00 C ATOM 1089 OH TYR A 67 2.918 3.584 3.891 1.00 0.00 O ATOM 0 H TYR A 67 -1.055 -1.632 8.611 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.521 1.023 9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.008 -0.501 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.164 -0.905 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.464 2.235 7.988 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.296 -0.083 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.637 3.850 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.512 1.498 3.072 1.00 0.00 H new ATOM 0 HH TYR A 67 2.312 4.104 3.322 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.776 0.754 6.613 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.763 1.576 5.897 1.00 0.00 C ATOM 1101 C LEU A 68 -4.809 2.237 6.807 1.00 0.00 C ATOM 1102 O LEU A 68 -5.414 3.225 6.398 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.470 0.738 4.826 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.603 0.395 3.607 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.430 -0.540 2.723 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.200 1.622 2.781 1.00 0.00 C ATOM 0 H LEU A 68 -2.842 -0.246 6.424 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.197 2.388 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.818 -0.190 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.354 1.278 4.486 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.677 -0.058 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.852 -0.812 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.683 -1.441 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.346 -0.035 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.589 1.307 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.095 2.124 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.629 2.309 3.405 1.00 0.00 H new ATOM 1118 N THR A 69 -5.038 1.731 8.021 1.00 0.00 N ATOM 1119 CA THR A 69 -6.003 2.312 8.972 1.00 0.00 C ATOM 1120 C THR A 69 -5.533 3.664 9.511 1.00 0.00 C ATOM 1121 O THR A 69 -6.319 4.611 9.550 1.00 0.00 O ATOM 1122 CB THR A 69 -6.325 1.355 10.115 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.676 0.099 9.590 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.511 1.809 10.965 1.00 0.00 C ATOM 0 H THR A 69 -4.560 0.904 8.378 1.00 0.00 H new ATOM 0 HA THR A 69 -6.923 2.481 8.412 1.00 0.00 H new ATOM 0 HB THR A 69 -5.431 1.321 10.737 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.890 -0.314 9.175 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.687 1.085 11.760 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.293 2.783 11.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.400 1.884 10.339 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.250 3.797 9.866 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.612 5.091 10.143 1.00 0.00 C ATOM 1134 C ASN A 70 -2.110 5.075 9.772 1.00 0.00 C ATOM 1135 O ASN A 70 -1.255 4.871 10.644 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.855 5.514 11.608 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.479 6.970 11.871 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.510 7.517 11.363 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.234 7.669 12.692 1.00 0.00 N ATOM 0 H ASN A 70 -3.619 3.003 9.970 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.075 5.845 9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.906 5.364 11.856 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.277 4.869 12.269 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.005 8.643 12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.048 7.237 13.129 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.746 5.352 8.503 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.359 5.258 8.048 1.00 0.00 C ATOM 1148 C PRO A 71 0.538 6.270 8.763 1.00 0.00 C ATOM 1149 O PRO A 71 1.685 5.952 9.060 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.401 5.451 6.525 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.703 6.214 6.294 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.620 5.669 7.385 1.00 0.00 C ATOM 0 HA PRO A 71 0.083 4.291 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.462 6.014 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.398 4.496 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.561 7.291 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.107 6.030 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.371 6.405 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.155 4.784 7.042 1.00 0.00 H new ATOM 1160 N LYS A 72 0.007 7.456 9.107 1.00 0.00 N ATOM 1161 CA LYS A 72 0.726 8.520 9.830 1.00 0.00 C ATOM 1162 C LYS A 72 1.196 8.065 11.209 1.00 0.00 C ATOM 1163 O LYS A 72 2.327 8.347 11.588 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.150 9.782 9.970 1.00 0.00 C ATOM 1165 CG LYS A 72 -0.023 10.785 8.814 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.580 10.265 7.483 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.466 11.311 6.369 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.461 12.410 6.465 1.00 0.00 N ATOM 0 H LYS A 72 -0.956 7.707 8.885 1.00 0.00 H new ATOM 0 HA LYS A 72 1.608 8.758 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.193 9.476 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.110 10.286 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.545 11.703 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.028 11.043 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.041 9.364 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.625 9.984 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.536 11.740 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.581 10.814 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.746 12.705 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.296 12.078 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.038 13.218 6.965 1.00 0.00 H new ATOM 1182 N LYS A 73 0.340 7.381 11.970 1.00 0.00 N ATOM 1183 CA LYS A 73 0.718 6.842 13.284 1.00 0.00 C ATOM 1184 C LYS A 73 1.660 5.640 13.163 1.00 0.00 C ATOM 1185 O LYS A 73 2.543 5.486 14.001 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.536 6.523 14.120 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.229 6.042 15.554 1.00 0.00 C ATOM 1188 CD LYS A 73 0.592 7.047 16.387 1.00 0.00 C ATOM 1189 CE LYS A 73 0.988 6.494 17.763 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.180 6.293 18.656 1.00 0.00 N ATOM 0 H LYS A 73 -0.624 7.185 11.700 1.00 0.00 H new ATOM 0 HA LYS A 73 1.280 7.611 13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.161 7.414 14.173 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.117 5.756 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.169 5.841 16.068 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.314 5.099 15.502 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.493 7.318 15.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.013 7.961 16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.508 5.545 17.633 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.690 7.180 18.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.143 5.919 19.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.664 7.202 18.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.839 5.618 18.219 1.00 0.00 H new ATOM 1204 N TYR A 74 1.470 4.794 12.148 1.00 0.00 N ATOM 1205 CA TYR A 74 2.274 3.583 11.940 1.00 0.00 C ATOM 1206 C TYR A 74 3.722 3.850 11.499 1.00 0.00 C ATOM 1207 O TYR A 74 4.629 3.090 11.850 1.00 0.00 O ATOM 1208 CB TYR A 74 1.576 2.705 10.899 1.00 0.00 C ATOM 1209 CG TYR A 74 1.895 1.238 11.076 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.419 0.593 12.230 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.653 0.522 10.129 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.698 -0.761 12.448 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.899 -0.853 10.324 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.399 -1.498 11.477 1.00 0.00 C ATOM 1215 OH TYR A 74 2.607 -2.819 11.689 1.00 0.00 O ATOM 0 H TYR A 74 0.748 4.930 11.440 1.00 0.00 H new ATOM 0 HA TYR A 74 2.346 3.085 12.907 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.498 2.851 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.877 3.022 9.900 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.835 1.145 12.952 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.044 1.024 9.257 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.375 -1.239 13.361 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.468 -1.411 9.595 1.00 0.00 H new ATOM 0 HH TYR A 74 1.865 -3.187 12.212 1.00 0.00 H new ATOM 1225 N ILE A 75 3.918 4.927 10.737 1.00 0.00 N ATOM 1226 CA ILE A 75 5.217 5.405 10.258 1.00 0.00 C ATOM 1227 C ILE A 75 5.277 6.932 10.481 1.00 0.00 C ATOM 1228 O ILE A 75 5.023 7.707 9.555 1.00 0.00 O ATOM 1229 CB ILE A 75 5.461 4.968 8.794 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.270 3.446 8.598 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.895 5.370 8.399 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.568 2.927 7.183 1.00 0.00 C ATOM 0 H ILE A 75 3.145 5.514 10.424 1.00 0.00 H new ATOM 0 HA ILE A 75 6.035 4.955 10.821 1.00 0.00 H new ATOM 0 HB ILE A 75 4.728 5.465 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.914 2.921 9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.242 3.189 8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.086 5.070 7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.008 6.450 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.607 4.874 9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.405 1.850 7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.906 3.417 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.605 3.145 6.926 1.00 0.00 H new ATOM 1244 N PRO A 76 5.561 7.391 11.714 1.00 0.00 N ATOM 1245 CA PRO A 76 5.570 8.813 12.057 1.00 0.00 C ATOM 1246 C PRO A 76 6.728 9.532 11.355 1.00 0.00 C ATOM 1247 O PRO A 76 7.886 9.353 11.714 1.00 0.00 O ATOM 1248 CB PRO A 76 5.660 8.868 13.585 1.00 0.00 C ATOM 1249 CG PRO A 76 6.375 7.567 13.951 1.00 0.00 C ATOM 1250 CD PRO A 76 5.888 6.587 12.886 1.00 0.00 C ATOM 0 HA PRO A 76 4.673 9.332 11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.219 9.741 13.922 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.672 8.925 14.043 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.459 7.683 13.926 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.113 7.233 14.955 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.658 5.852 12.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.016 6.034 13.235 1.00 0.00 H new ATOM 1258 N GLY A 77 6.414 10.316 10.321 1.00 0.00 N ATOM 1259 CA GLY A 77 7.381 10.950 9.412 1.00 0.00 C ATOM 1260 C GLY A 77 7.324 10.438 7.965 1.00 0.00 C ATOM 1261 O GLY A 77 8.027 10.970 7.110 1.00 0.00 O ATOM 0 H GLY A 77 5.447 10.537 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.208 12.026 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.386 10.790 9.802 1.00 0.00 H new ATOM 1265 N THR A 78 6.482 9.438 7.672 1.00 0.00 N ATOM 1266 CA THR A 78 6.253 8.881 6.325 1.00 0.00 C ATOM 1267 C THR A 78 5.934 9.940 5.274 1.00 0.00 C ATOM 1268 O THR A 78 5.126 10.842 5.507 1.00 0.00 O ATOM 1269 CB THR A 78 5.120 7.836 6.358 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.965 7.182 5.119 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.728 8.359 6.733 1.00 0.00 C ATOM 0 H THR A 78 5.921 8.976 8.388 1.00 0.00 H new ATOM 0 HA THR A 78 7.192 8.412 6.033 1.00 0.00 H new ATOM 0 HB THR A 78 5.461 7.167 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.239 6.527 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.015 7.535 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.761 8.798 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.418 9.116 6.013 1.00 0.00 H new ATOM 1279 N LYS A 79 6.453 9.750 4.058 1.00 0.00 N ATOM 1280 CA LYS A 79 6.003 10.465 2.855 1.00 0.00 C ATOM 1281 C LYS A 79 4.564 10.116 2.449 1.00 0.00 C ATOM 1282 O LYS A 79 4.006 10.813 1.605 1.00 0.00 O ATOM 1283 CB LYS A 79 6.943 10.148 1.683 1.00 0.00 C ATOM 1284 CG LYS A 79 8.336 10.775 1.774 1.00 0.00 C ATOM 1285 CD LYS A 79 9.317 9.955 0.922 1.00 0.00 C ATOM 1286 CE LYS A 79 10.684 10.641 0.886 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.725 9.751 0.320 1.00 0.00 N ATOM 0 H LYS A 79 7.207 9.088 3.876 1.00 0.00 H new ATOM 0 HA LYS A 79 6.025 11.528 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.054 9.066 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.471 10.483 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.307 11.807 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.670 10.800 2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.416 8.951 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.929 9.847 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.619 11.552 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.969 10.940 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.415 10.319 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.210 9.250 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.281 9.059 -0.317 1.00 0.00 H new ATOM 1301 N MET A 80 3.928 9.080 3.016 1.00 0.00 N ATOM 1302 CA MET A 80 2.543 8.718 2.710 1.00 0.00 C ATOM 1303 C MET A 80 1.543 9.737 3.288 1.00 0.00 C ATOM 1304 O MET A 80 0.889 9.518 4.311 1.00 0.00 O ATOM 1305 CB MET A 80 2.273 7.261 3.112 1.00 0.00 C ATOM 1306 CG MET A 80 0.850 6.864 2.714 1.00 0.00 C ATOM 1307 SD MET A 80 0.624 5.156 2.148 1.00 0.00 S ATOM 1308 CE MET A 80 -1.161 5.003 2.387 1.00 0.00 C ATOM 0 H MET A 80 4.367 8.468 3.704 1.00 0.00 H new ATOM 0 HA MET A 80 2.389 8.769 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.993 6.602 2.627 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.406 7.141 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.196 7.031 3.570 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.516 7.534 1.922 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.489 4.018 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.399 5.127 3.443 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.673 5.771 1.807 1.00 0.00 H new ATOM 1318 N ALA A 81 1.401 10.865 2.590 1.00 0.00 N ATOM 1319 CA ALA A 81 0.599 12.020 2.990 1.00 0.00 C ATOM 1320 C ALA A 81 -0.915 11.786 3.057 1.00 0.00 C ATOM 1321 O ALA A 81 -1.622 12.547 3.714 1.00 0.00 O ATOM 1322 CB ALA A 81 0.962 13.206 2.093 1.00 0.00 C ATOM 0 H ALA A 81 1.863 11.003 1.691 1.00 0.00 H new ATOM 0 HA ALA A 81 0.855 12.233 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.370 14.075 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.022 13.436 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.753 12.953 1.053 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.351 10.660 2.508 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.723 10.164 2.325 1.00 0.00 C ATOM 1330 C PHE A 82 -3.677 10.433 3.508 1.00 0.00 C ATOM 1331 O PHE A 82 -4.508 11.329 3.420 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.671 8.677 1.934 1.00 0.00 C ATOM 1333 CG PHE A 82 -4.029 7.999 1.877 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -5.063 8.536 1.084 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.280 6.857 2.662 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.344 7.958 1.108 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.555 6.270 2.672 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.591 6.829 1.906 1.00 0.00 C ATOM 0 H PHE A 82 -0.679 9.990 2.135 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.167 10.743 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.191 8.586 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.043 8.147 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.871 9.394 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.488 6.431 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.139 8.382 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.739 5.389 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.578 6.391 1.931 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.582 9.691 4.620 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.495 9.875 5.764 1.00 0.00 C ATOM 1350 C GLY A 83 -4.959 8.591 6.448 1.00 0.00 C ATOM 1351 O GLY A 83 -4.741 8.459 7.649 1.00 0.00 O ATOM 0 H GLY A 83 -2.885 8.959 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.999 10.502 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.374 10.421 5.421 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.567 7.660 5.705 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.975 6.335 6.192 1.00 0.00 C ATOM 1357 C GLY A 84 -7.399 5.930 5.790 1.00 0.00 C ATOM 1358 O GLY A 84 -8.345 6.717 5.882 1.00 0.00 O ATOM 0 H GLY A 84 -5.796 7.810 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.276 5.589 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.898 6.320 7.279 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.580 4.670 5.386 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.866 4.077 5.015 1.00 0.00 C ATOM 1364 C LEU A 85 -9.609 3.577 6.263 1.00 0.00 C ATOM 1365 O LEU A 85 -9.569 2.404 6.628 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.671 2.951 3.986 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.369 3.398 2.546 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.167 2.162 1.669 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.498 4.221 1.916 1.00 0.00 C ATOM 0 H LEU A 85 -6.806 4.011 5.306 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.481 4.846 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.855 2.313 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.572 2.337 3.973 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.478 4.023 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.952 2.473 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.332 1.576 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.072 1.555 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.219 4.504 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.411 3.626 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.668 5.120 2.509 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.347 4.503 6.879 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.202 4.325 8.067 1.00 0.00 C ATOM 1383 C LYS A 86 -12.064 3.052 8.031 1.00 0.00 C ATOM 1384 O LYS A 86 -12.031 2.263 8.969 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.081 5.580 8.251 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.268 6.878 8.416 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.186 8.107 8.521 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.394 9.423 8.535 1.00 0.00 C ATOM 1389 NZ LYS A 86 -10.532 9.549 9.737 1.00 0.00 N ATOM 0 H LYS A 86 -10.368 5.465 6.542 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.539 4.197 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.742 5.681 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.716 5.444 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.647 6.809 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.594 6.997 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.881 8.112 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.784 8.035 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.776 9.482 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.088 10.263 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.018 10.452 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.123 9.520 10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.851 8.763 9.760 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.854 2.866 6.968 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.793 1.745 6.810 1.00 0.00 C ATOM 1405 C LYS A 87 -13.077 0.435 6.450 1.00 0.00 C ATOM 1406 O LYS A 87 -12.428 0.345 5.411 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.768 2.030 5.670 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.813 3.161 5.805 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.585 3.015 4.489 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.617 3.996 3.962 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.988 3.503 2.604 1.00 0.00 N ATOM 0 H LYS A 87 -12.860 3.505 6.173 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.304 1.640 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.173 2.244 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.314 1.107 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.455 3.026 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.347 4.142 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.829 2.931 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.092 2.052 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.489 4.036 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.208 5.005 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.415 4.278 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.136 3.163 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.671 2.724 2.692 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.269 -0.595 7.268 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.696 -1.935 7.054 1.00 0.00 C ATOM 1427 C GLU A 88 -13.183 -2.656 5.791 1.00 0.00 C ATOM 1428 O GLU A 88 -12.396 -3.281 5.097 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.990 -2.794 8.287 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.136 -4.071 8.331 1.00 0.00 C ATOM 1431 CD GLU A 88 -11.745 -4.391 9.774 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -11.007 -3.549 10.340 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.192 -5.429 10.310 1.00 0.00 O ATOM 0 H GLU A 88 -13.835 -0.529 8.114 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.626 -1.790 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.807 -2.207 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.045 -3.066 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.692 -4.905 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.240 -3.940 7.724 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.475 -2.571 5.464 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.057 -3.239 4.290 1.00 0.00 C ATOM 1442 C LYS A 89 -14.404 -2.768 2.989 1.00 0.00 C ATOM 1443 O LYS A 89 -13.960 -3.567 2.172 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.576 -3.042 4.293 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.180 -3.377 5.666 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.599 -3.950 5.596 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.073 -4.288 7.017 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.392 -4.970 7.019 1.00 0.00 N ATOM 0 H LYS A 89 -15.152 -2.035 6.007 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.854 -4.308 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.812 -2.010 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.028 -3.675 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.533 -4.094 6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.193 -2.474 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.274 -3.228 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.614 -4.843 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.335 -4.926 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.138 -3.372 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.673 -5.179 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.103 -4.352 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.325 -5.857 6.481 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.272 -1.458 2.881 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.621 -0.733 1.808 1.00 0.00 C ATOM 1464 C ASP A 90 -12.100 -1.010 1.760 1.00 0.00 C ATOM 1465 O ASP A 90 -11.534 -1.121 0.671 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.925 0.755 2.031 1.00 0.00 C ATOM 1467 CG ASP A 90 -15.426 1.133 2.063 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -16.194 0.517 2.841 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -15.809 2.173 1.467 1.00 0.00 O ATOM 0 H ASP A 90 -14.644 -0.829 3.593 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.001 -1.061 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.471 1.063 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.441 1.329 1.241 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.432 -1.214 2.913 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.074 -1.805 2.948 1.00 0.00 C ATOM 1476 C ARG A 91 -10.048 -3.231 2.396 1.00 0.00 C ATOM 1477 O ARG A 91 -9.192 -3.519 1.564 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.421 -1.793 4.351 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.061 -0.384 4.841 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.962 -0.329 5.920 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.235 -1.133 7.125 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.176 -0.995 8.045 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.047 -0.024 8.049 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.225 -1.874 9.005 1.00 0.00 N ATOM 0 H ARG A 91 -11.808 -0.980 3.832 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.483 -1.155 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.102 -2.255 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.519 -2.404 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.739 0.210 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.961 0.088 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.024 -0.667 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.818 0.709 6.219 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.600 -1.917 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.026 0.683 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.749 0.028 8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.551 -2.639 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.938 -1.797 9.731 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.949 -4.109 2.835 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.928 -5.538 2.507 1.00 0.00 C ATOM 1500 C ASN A 92 -11.113 -5.789 0.997 1.00 0.00 C ATOM 1501 O ASN A 92 -10.413 -6.631 0.423 1.00 0.00 O ATOM 1502 CB ASN A 92 -11.973 -6.291 3.355 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.640 -6.365 4.840 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.636 -5.874 5.329 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.469 -7.037 5.609 1.00 0.00 N ATOM 0 H ASN A 92 -11.728 -3.845 3.439 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.942 -5.931 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.940 -5.803 3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.077 -7.304 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.269 -7.143 6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.311 -7.452 5.211 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.977 -5.014 0.331 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.044 -4.929 -1.137 1.00 0.00 C ATOM 1514 C ASP A 93 -10.685 -4.560 -1.768 1.00 0.00 C ATOM 1515 O ASP A 93 -10.200 -5.280 -2.646 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.126 -3.925 -1.579 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.521 -4.534 -1.750 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.654 -5.611 -2.381 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.520 -3.885 -1.367 1.00 0.00 O ATOM 0 H ASP A 93 -12.660 -4.419 0.801 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.311 -5.923 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.181 -3.122 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.822 -3.473 -2.523 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.057 -3.456 -1.340 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.768 -2.961 -1.860 1.00 0.00 C ATOM 1526 C LEU A 94 -7.625 -3.970 -1.651 1.00 0.00 C ATOM 1527 O LEU A 94 -6.867 -4.234 -2.581 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.459 -1.583 -1.241 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.638 -0.644 -2.150 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.591 0.745 -1.516 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.184 -1.072 -2.376 1.00 0.00 C ATOM 0 H LEU A 94 -10.439 -2.864 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.852 -2.843 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.399 -1.093 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.916 -1.731 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.143 -0.668 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.013 1.416 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.605 1.131 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.122 0.681 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.689 -0.351 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.664 -1.114 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.163 -2.056 -2.843 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.537 -4.598 -0.478 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.617 -5.705 -0.174 1.00 0.00 C ATOM 1545 C ILE A 95 -6.815 -6.834 -1.193 1.00 0.00 C ATOM 1546 O ILE A 95 -5.854 -7.233 -1.850 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.795 -6.172 1.292 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.335 -5.058 2.263 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.004 -7.460 1.589 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.927 -5.199 3.669 1.00 0.00 C ATOM 0 H ILE A 95 -8.123 -4.344 0.317 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.585 -5.366 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.854 -6.384 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.247 -5.071 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.617 -4.088 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.158 -7.750 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.351 -8.259 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.943 -7.283 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.565 -4.387 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.015 -5.156 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.623 -6.154 4.098 1.00 0.00 H new ATOM 1562 N THR A 96 -8.058 -7.299 -1.378 1.00 0.00 N ATOM 1563 CA THR A 96 -8.396 -8.355 -2.349 1.00 0.00 C ATOM 1564 C THR A 96 -7.921 -8.002 -3.766 1.00 0.00 C ATOM 1565 O THR A 96 -7.361 -8.853 -4.454 1.00 0.00 O ATOM 1566 CB THR A 96 -9.905 -8.664 -2.355 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.383 -8.928 -1.055 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.214 -9.923 -3.168 1.00 0.00 C ATOM 0 H THR A 96 -8.863 -6.953 -0.857 1.00 0.00 H new ATOM 0 HA THR A 96 -7.866 -9.251 -2.027 1.00 0.00 H new ATOM 0 HB THR A 96 -10.382 -7.783 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.433 -8.091 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.287 -10.112 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.886 -9.781 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.689 -10.774 -2.735 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.079 -6.748 -4.199 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.485 -6.264 -5.451 1.00 0.00 C ATOM 1578 C TYR A 97 -5.957 -6.322 -5.437 1.00 0.00 C ATOM 1579 O TYR A 97 -5.378 -7.001 -6.274 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.960 -4.845 -5.771 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.151 -4.132 -6.845 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.222 -4.546 -8.189 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.290 -3.075 -6.487 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.494 -3.864 -9.183 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.528 -2.421 -7.471 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.655 -2.790 -8.828 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.965 -2.117 -9.786 1.00 0.00 O ATOM 0 H TYR A 97 -8.618 -6.043 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.827 -6.938 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.002 -4.888 -6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.929 -4.251 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.838 -5.391 -8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.215 -2.767 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.579 -4.164 -10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.844 -1.635 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.833 -1.188 -9.503 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.297 -5.617 -4.512 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.845 -5.399 -4.531 1.00 0.00 C ATOM 1599 C LEU A 98 -3.064 -6.707 -4.433 1.00 0.00 C ATOM 1600 O LEU A 98 -2.060 -6.911 -5.116 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.458 -4.480 -3.362 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.272 -3.569 -3.722 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.748 -2.355 -4.519 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.579 -3.064 -2.459 1.00 0.00 C ATOM 0 H LEU A 98 -5.762 -5.176 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.589 -4.936 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.315 -3.868 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.201 -5.086 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.577 -4.159 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.894 -1.723 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.228 -2.689 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.462 -1.786 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.743 -2.421 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.289 -2.497 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.210 -3.912 -1.883 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.586 -7.611 -3.601 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.153 -9.007 -3.518 1.00 0.00 C ATOM 1618 C LYS A 99 -3.274 -9.666 -4.893 1.00 0.00 C ATOM 1619 O LYS A 99 -2.292 -10.226 -5.362 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.912 -9.739 -2.386 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.215 -11.012 -1.852 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.785 -12.354 -2.343 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.640 -12.486 -3.857 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.978 -13.818 -4.380 1.00 0.00 N ATOM 0 H LYS A 99 -4.339 -7.387 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.099 -9.067 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.055 -9.046 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.903 -10.010 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.161 -10.966 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.262 -10.997 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.266 -13.176 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.837 -12.430 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.279 -11.746 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.613 -12.249 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.742 -13.864 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.436 -14.541 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.995 -13.993 -4.253 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.430 -9.566 -5.568 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.705 -10.175 -6.897 1.00 0.00 C ATOM 1640 C LYS A 100 -4.106 -9.454 -8.111 1.00 0.00 C ATOM 1641 O LYS A 100 -4.279 -9.873 -9.249 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.211 -10.467 -7.052 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.631 -11.682 -7.929 1.00 0.00 C ATOM 1644 CD LYS A 100 -5.621 -12.830 -7.805 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.876 -14.235 -8.349 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.604 -15.016 -8.287 1.00 0.00 N ATOM 0 H LYS A 100 -5.227 -9.046 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.157 -11.117 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.627 -10.614 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.683 -9.576 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.619 -12.029 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.708 -11.372 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.700 -12.481 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.415 -12.945 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.651 -14.730 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.236 -14.182 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.786 -15.999 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.904 -14.591 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.236 -15.003 -7.314 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.387 -8.385 -7.813 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.442 -7.648 -8.651 1.00 0.00 C ATOM 1662 C ALA A 101 -0.962 -7.985 -8.333 1.00 0.00 C ATOM 1663 O ALA A 101 -0.061 -7.480 -9.008 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.749 -6.150 -8.511 1.00 0.00 C ATOM 0 H ALA A 101 -3.454 -7.966 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.571 -7.952 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.056 -5.577 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.771 -5.956 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.638 -5.852 -7.468 1.00 0.00 H new ATOM 1670 N THR A 102 -0.709 -8.835 -7.330 1.00 0.00 N ATOM 1671 CA THR A 102 0.610 -9.377 -6.956 1.00 0.00 C ATOM 1672 C THR A 102 0.700 -10.876 -7.277 1.00 0.00 C ATOM 1673 O THR A 102 1.688 -11.296 -7.870 1.00 0.00 O ATOM 1674 CB THR A 102 0.929 -9.115 -5.474 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.784 -7.746 -5.150 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.369 -9.488 -5.118 1.00 0.00 C ATOM 0 H THR A 102 -1.453 -9.183 -6.725 1.00 0.00 H new ATOM 0 HA THR A 102 1.359 -8.855 -7.552 1.00 0.00 H new ATOM 0 HB THR A 102 0.225 -9.732 -4.915 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.167 -7.509 -5.151 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.547 -9.285 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.530 -10.548 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.058 -8.897 -5.722 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.344 -11.662 -6.975 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.663 -12.950 -7.613 1.00 0.00 C ATOM 1686 C GLU A 103 -2.160 -13.114 -7.808 1.00 0.00 C ATOM 1687 O GLU A 103 -2.570 -13.447 -8.940 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.067 -14.162 -6.875 1.00 0.00 C ATOM 1689 CG GLU A 103 -0.611 -14.549 -5.483 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.872 -15.453 -5.405 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.663 -15.642 -6.369 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -2.220 -15.830 -4.262 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.910 -12.943 -6.815 1.00 0.00 O ATOM 0 H GLU A 103 -1.016 -11.409 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.186 -12.924 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.185 -15.030 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.003 -13.986 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.191 -15.051 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.830 -13.627 -4.945 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.051 4.642 -0.147 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.241 3.538 0.824 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.131 1.394 -0.092 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.070 5.824 -1.081 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.416 7.808 -0.844 1.00 0.00 C HETATM 1706 NA HEC A 104 1.898 2.790 0.320 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.201 2.594 0.692 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.359 1.175 0.899 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.156 0.564 0.618 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.217 1.604 0.257 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.892 -0.924 0.688 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.626 0.487 1.324 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.670 0.368 0.209 1.00 0.00 C HETATM 1714 CGA HEC A 104 6.965 -0.271 0.714 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.220 -0.211 1.937 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.752 -0.783 -0.106 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.793 3.762 -0.488 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.035 2.424 -0.414 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.421 2.224 -0.773 1.00 0.00 C HETATM 1720 C3B HEC A 104 -2.985 3.474 -0.958 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.923 4.446 -0.839 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.073 0.877 -1.007 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.434 3.792 -1.273 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.347 3.478 -0.087 1.00 0.00 C HETATM 1725 NC HEC A 104 0.286 6.525 -0.787 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.015 6.737 -1.106 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.139 8.101 -1.559 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.134 8.635 -1.589 1.00 0.00 C HETATM 1729 C4C HEC A 104 1.031 7.642 -1.028 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.421 8.741 -2.054 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.548 9.925 -2.272 1.00 0.00 C HETATM 1732 CBC HEC A 104 0.230 11.156 -1.420 1.00 0.00 C HETATM 1733 ND HEC A 104 2.997 5.547 0.042 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.276 6.826 -0.314 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.689 7.012 -0.110 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.200 5.857 0.445 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.121 4.891 0.464 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.453 8.204 -0.609 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.602 5.685 0.996 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.700 6.216 2.429 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.103 6.660 2.852 1.00 0.00 C HETATM 1742 O1D HEC A 104 9.123 6.221 2.285 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.169 7.505 3.767 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.373 8.259 -1.695 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.040 9.111 -0.168 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.502 8.108 -0.327 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.788 8.195 -2.923 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.171 8.712 -1.264 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.227 9.777 -2.332 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.566 0.365 -1.825 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -3.000 0.275 -0.101 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.123 1.020 -1.264 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.556 -1.444 -0.002 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.074 -1.278 1.703 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.856 -1.123 0.414 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.019 7.060 2.537 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.357 5.440 3.114 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.843 11.201 -1.232 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.762 11.089 -0.471 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.544 12.056 -1.949 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.272 2.419 0.159 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.043 4.073 0.774 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.378 3.718 -0.348 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.264 -0.229 -0.608 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.885 1.357 -0.195 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.877 4.630 0.976 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.313 6.212 0.360 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.062 1.034 2.160 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.382 -0.511 1.688 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.854 8.764 -1.132 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.076 6.204 -1.261 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.498 0.368 -0.114 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.194 3.198 1.229 1.00 0.00 H new HETATM 0 H2D HEC A 104 8.668 7.130 4.523 1.00 0.00 H new