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 H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 THR OG1 : rot 36:sc= 0.503 USER MOD Set 2.1: A 63 ASN : amide:sc= 0.631 K(o=1.7,f=-2.2) USER MOD Set 2.2: A 74 TYR OH : rot 115:sc= 1.12 USER MOD Set 3.1: A 46 TYR OH : rot -143:sc= 0.991 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 137:sc= 0.912 (180deg=-0.242) USER MOD Set 4.1: A 19 THR OG1 : rot -140:sc= -0.0306 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.92 K(o=-0.87,f=-10!) USER MOD Set 4.3: A 33 HIS : no HE2:sc= -2.76! C(o=-0.87!,f=-5.7!) USER MOD Set 5.1: A -2 LYS NZ :NH3+ -151:sc= 2.06 (180deg=0.25) USER MOD Set 5.2: A -5 THR OG1 : rot 180:sc= 0.754 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -33:sc= 1.22 USER MOD Single : A -5 THR N :NH3+ 160:sc= 1.2 (180deg=1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -45:sc= 0.574 USER MOD Single : A 16 GLN : amide:sc= 0.761 K(o=0.76,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 1.84 (180deg=1.16) USER MOD Single : A 26 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.803 (180deg=0.36) USER MOD Single : A 39 HIS : no HD1:sc= -0.0093 X(o=-0.0093,f=-0.0042) USER MOD Single : A 40 SER OG : rot 83:sc= 1.84 USER MOD Single : A 42 GLN : amide:sc= -1.1! C(o=-1.1!,f=-2.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 131:sc= 1.26 USER MOD Single : A 49 THR OG1 : rot -100:sc= 1.61 USER MOD Single : A 52 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0.56 (180deg=0.144) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.34 (180deg=1.29) USER MOD Single : A 56 ASN : amide:sc= -0.917 X(o=-0.92,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -176:sc= -2.06 (180deg=-2.18) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 69 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 70 ASN : amide:sc= 0.469 K(o=0.47,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 0.665 (180deg=0.343) USER MOD Single : A 73 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.0991) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.251 (180deg=-0.267) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -146:sc= 1.27 (180deg=1.12) USER MOD Single : A 92 ASN : amide:sc= 0.287 K(o=0.29,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.58 USER MOD Single : A 97 TYR OH : rot 146:sc= 1.44 USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 1.01 (180deg=-2.99!) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 0.262 (180deg=-0.616!) USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.803 USER MOD Single : A 104 HEC O2A : rot -60:sc= 0.732 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -12.405 -11.042 13.921 1.00 0.00 N ATOM 2 CA THR A -5 -12.900 -10.961 12.531 1.00 0.00 C ATOM 3 C THR A -5 -11.714 -10.828 11.599 1.00 0.00 C ATOM 4 O THR A -5 -10.887 -9.948 11.777 1.00 0.00 O ATOM 5 CB THR A -5 -13.951 -9.873 12.304 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.337 -9.840 10.947 1.00 0.00 O ATOM 7 CG2 THR A -5 -13.535 -8.458 12.697 1.00 0.00 C ATOM 0 H1 THR A -5 -13.173 -10.795 14.578 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.079 -12.010 14.117 1.00 0.00 H new ATOM 0 H3 THR A -5 -11.615 -10.378 14.047 1.00 0.00 H new ATOM 0 HA THR A -5 -13.435 -11.885 12.312 1.00 0.00 H new ATOM 0 HB THR A -5 -14.769 -10.158 12.966 1.00 0.00 H new ATOM 0 HG1 THR A -5 -15.011 -9.141 10.816 1.00 0.00 H new ATOM 0 HG21 THR A -5 -14.354 -7.768 12.494 1.00 0.00 H new ATOM 0 HG22 THR A -5 -13.293 -8.432 13.760 1.00 0.00 H new ATOM 0 HG23 THR A -5 -12.660 -8.162 12.118 1.00 0.00 H new ATOM 17 N GLU A -4 -11.591 -11.761 10.664 1.00 0.00 N ATOM 18 CA GLU A -4 -10.340 -12.272 10.087 1.00 0.00 C ATOM 19 C GLU A -4 -10.182 -11.742 8.654 1.00 0.00 C ATOM 20 O GLU A -4 -9.826 -12.473 7.733 1.00 0.00 O ATOM 21 CB GLU A -4 -10.365 -13.823 10.145 1.00 0.00 C ATOM 22 CG GLU A -4 -10.466 -14.460 11.551 1.00 0.00 C ATOM 23 CD GLU A -4 -11.729 -14.048 12.331 1.00 0.00 C ATOM 24 OE1 GLU A -4 -12.829 -13.953 11.727 1.00 0.00 O ATOM 25 OE2 GLU A -4 -11.579 -13.518 13.455 1.00 0.00 O ATOM 0 H GLU A -4 -12.410 -12.214 10.258 1.00 0.00 H new ATOM 0 HA GLU A -4 -9.476 -11.926 10.655 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -11.209 -14.173 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -9.460 -14.197 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -10.451 -15.545 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -9.586 -14.181 12.130 1.00 0.00 H new ATOM 32 N PHE A -3 -10.557 -10.468 8.481 1.00 0.00 N ATOM 33 CA PHE A -3 -10.953 -9.862 7.200 1.00 0.00 C ATOM 34 C PHE A -3 -12.196 -10.577 6.605 1.00 0.00 C ATOM 35 O PHE A -3 -12.822 -11.426 7.258 1.00 0.00 O ATOM 36 CB PHE A -3 -9.687 -9.692 6.312 1.00 0.00 C ATOM 37 CG PHE A -3 -9.758 -10.021 4.830 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.845 -11.361 4.405 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.651 -8.995 3.874 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.853 -11.669 3.031 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.646 -9.303 2.502 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.750 -10.638 2.079 1.00 0.00 C ATOM 0 H PHE A -3 -10.595 -9.806 9.256 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.329 -8.845 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.364 -8.655 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.900 -10.309 6.745 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.906 -12.155 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.572 -7.967 4.195 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.938 -12.696 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.562 -8.511 1.772 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.751 -10.873 1.025 1.00 0.00 H new ATOM 52 N LYS A -2 -12.671 -10.166 5.426 1.00 0.00 N ATOM 53 CA LYS A -2 -13.686 -10.847 4.629 1.00 0.00 C ATOM 54 C LYS A -2 -13.377 -10.687 3.141 1.00 0.00 C ATOM 55 O LYS A -2 -12.967 -9.616 2.717 1.00 0.00 O ATOM 56 CB LYS A -2 -15.051 -10.227 4.953 1.00 0.00 C ATOM 57 CG LYS A -2 -15.871 -11.088 5.929 1.00 0.00 C ATOM 58 CD LYS A -2 -16.182 -10.375 7.256 1.00 0.00 C ATOM 59 CE LYS A -2 -16.332 -11.396 8.391 1.00 0.00 C ATOM 60 NZ LYS A -2 -15.006 -11.825 8.912 1.00 0.00 N ATOM 0 H LYS A -2 -12.340 -9.309 4.983 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.695 -11.911 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.904 -9.236 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -15.614 -10.093 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -16.807 -11.375 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.325 -12.008 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -15.384 -9.672 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -17.099 -9.794 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -16.919 -10.960 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -16.882 -12.265 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -15.075 -12.795 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.305 -11.795 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -14.710 -11.185 9.676 1.00 0.00 H new ATOM 74 N ALA A -1 -13.633 -11.735 2.361 1.00 0.00 N ATOM 75 CA ALA A -1 -13.487 -11.693 0.910 1.00 0.00 C ATOM 76 C ALA A -1 -14.399 -10.607 0.305 1.00 0.00 C ATOM 77 O ALA A -1 -15.617 -10.662 0.486 1.00 0.00 O ATOM 78 CB ALA A -1 -13.784 -13.086 0.341 1.00 0.00 C ATOM 0 H ALA A -1 -13.948 -12.637 2.718 1.00 0.00 H new ATOM 0 HA ALA A -1 -12.465 -11.424 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.678 -13.066 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -13.083 -13.808 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.802 -13.376 0.601 1.00 0.00 H new ATOM 84 N GLY A 1 -13.798 -9.627 -0.374 1.00 0.00 N ATOM 85 CA GLY A 1 -14.501 -8.665 -1.215 1.00 0.00 C ATOM 86 C GLY A 1 -14.575 -9.176 -2.651 1.00 0.00 C ATOM 87 O GLY A 1 -14.657 -10.377 -2.905 1.00 0.00 O ATOM 0 H GLY A 1 -12.789 -9.480 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.506 -8.499 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.987 -7.704 -1.189 1.00 0.00 H new ATOM 91 N SER A 2 -14.479 -8.275 -3.618 1.00 0.00 N ATOM 92 CA SER A 2 -14.344 -8.596 -5.035 1.00 0.00 C ATOM 93 C SER A 2 -13.219 -7.777 -5.655 1.00 0.00 C ATOM 94 O SER A 2 -13.233 -6.549 -5.616 1.00 0.00 O ATOM 95 CB SER A 2 -15.657 -8.335 -5.762 1.00 0.00 C ATOM 96 OG SER A 2 -15.556 -8.811 -7.092 1.00 0.00 O ATOM 0 H SER A 2 -14.493 -7.272 -3.435 1.00 0.00 H new ATOM 0 HA SER A 2 -14.098 -9.653 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.477 -8.834 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.881 -7.268 -5.761 1.00 0.00 H new ATOM 0 HG SER A 2 -16.399 -8.647 -7.563 1.00 0.00 H new ATOM 102 N ALA A 3 -12.244 -8.441 -6.286 1.00 0.00 N ATOM 103 CA ALA A 3 -11.077 -7.766 -6.860 1.00 0.00 C ATOM 104 C ALA A 3 -11.442 -6.656 -7.873 1.00 0.00 C ATOM 105 O ALA A 3 -10.695 -5.691 -8.023 1.00 0.00 O ATOM 106 CB ALA A 3 -10.161 -8.822 -7.488 1.00 0.00 C ATOM 0 H ALA A 3 -12.242 -9.453 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.556 -7.249 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.287 -8.335 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.841 -9.528 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.703 -9.355 -8.269 1.00 0.00 H new ATOM 112 N LYS A 4 -12.611 -6.747 -8.531 1.00 0.00 N ATOM 113 CA LYS A 4 -13.114 -5.701 -9.437 1.00 0.00 C ATOM 114 C LYS A 4 -13.824 -4.525 -8.744 1.00 0.00 C ATOM 115 O LYS A 4 -13.937 -3.463 -9.345 1.00 0.00 O ATOM 116 CB LYS A 4 -13.933 -6.345 -10.576 1.00 0.00 C ATOM 117 CG LYS A 4 -14.038 -5.434 -11.816 1.00 0.00 C ATOM 118 CD LYS A 4 -14.705 -6.098 -13.033 1.00 0.00 C ATOM 119 CE LYS A 4 -13.822 -7.177 -13.682 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.431 -7.711 -14.929 1.00 0.00 N ATOM 0 H LYS A 4 -13.235 -7.550 -8.449 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.243 -5.215 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.471 -7.290 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.934 -6.576 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.602 -4.540 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.037 -5.107 -12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.650 -6.545 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.941 -5.334 -13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.841 -6.758 -13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.666 -7.992 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.807 -8.436 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.356 -8.134 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.557 -6.937 -15.613 1.00 0.00 H new ATOM 134 N LYS A 5 -14.232 -4.673 -7.480 1.00 0.00 N ATOM 135 CA LYS A 5 -14.590 -3.547 -6.590 1.00 0.00 C ATOM 136 C LYS A 5 -13.327 -2.784 -6.193 1.00 0.00 C ATOM 137 O LYS A 5 -13.193 -1.612 -6.546 1.00 0.00 O ATOM 138 CB LYS A 5 -15.328 -4.010 -5.316 1.00 0.00 C ATOM 139 CG LYS A 5 -16.779 -3.535 -5.208 1.00 0.00 C ATOM 140 CD LYS A 5 -17.745 -4.395 -6.025 1.00 0.00 C ATOM 141 CE LYS A 5 -19.166 -3.905 -5.736 1.00 0.00 C ATOM 142 NZ LYS A 5 -20.186 -4.787 -6.352 1.00 0.00 N ATOM 0 H LYS A 5 -14.326 -5.585 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.269 -2.901 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.313 -5.099 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.778 -3.655 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.084 -3.548 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.844 -2.501 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.522 -4.314 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.641 -5.446 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.324 -3.863 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.285 -2.890 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.136 -4.424 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.050 -4.807 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -20.088 -5.750 -5.971 1.00 0.00 H new ATOM 156 N GLY A 6 -12.387 -3.463 -5.529 1.00 0.00 N ATOM 157 CA GLY A 6 -11.135 -2.865 -5.057 1.00 0.00 C ATOM 158 C GLY A 6 -10.331 -2.157 -6.150 1.00 0.00 C ATOM 159 O GLY A 6 -9.786 -1.085 -5.893 1.00 0.00 O ATOM 0 H GLY A 6 -12.475 -4.453 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.362 -2.150 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.517 -3.645 -4.613 1.00 0.00 H new ATOM 163 N ALA A 7 -10.365 -2.665 -7.387 1.00 0.00 N ATOM 164 CA ALA A 7 -9.857 -1.974 -8.571 1.00 0.00 C ATOM 165 C ALA A 7 -10.457 -0.566 -8.738 1.00 0.00 C ATOM 166 O ALA A 7 -9.727 0.429 -8.758 1.00 0.00 O ATOM 167 CB ALA A 7 -10.130 -2.842 -9.808 1.00 0.00 C ATOM 0 H ALA A 7 -10.754 -3.585 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.784 -1.829 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.755 -2.336 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.626 -3.802 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.203 -3.005 -9.909 1.00 0.00 H new ATOM 173 N THR A 8 -11.788 -0.462 -8.846 1.00 0.00 N ATOM 174 CA THR A 8 -12.485 0.827 -9.006 1.00 0.00 C ATOM 175 C THR A 8 -12.249 1.798 -7.850 1.00 0.00 C ATOM 176 O THR A 8 -12.218 3.006 -8.080 1.00 0.00 O ATOM 177 CB THR A 8 -13.999 0.659 -9.220 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.648 0.011 -8.146 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.308 -0.120 -10.499 1.00 0.00 C ATOM 0 H THR A 8 -12.414 -1.267 -8.825 1.00 0.00 H new ATOM 0 HA THR A 8 -12.043 1.258 -9.904 1.00 0.00 H new ATOM 0 HB THR A 8 -14.381 1.677 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.042 -0.648 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.388 -0.217 -10.614 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.898 0.412 -11.357 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.859 -1.111 -10.439 1.00 0.00 H new ATOM 187 N LEU A 9 -12.013 1.288 -6.635 1.00 0.00 N ATOM 188 CA LEU A 9 -11.645 2.084 -5.466 1.00 0.00 C ATOM 189 C LEU A 9 -10.223 2.610 -5.640 1.00 0.00 C ATOM 190 O LEU A 9 -10.021 3.817 -5.747 1.00 0.00 O ATOM 191 CB LEU A 9 -11.804 1.265 -4.172 1.00 0.00 C ATOM 192 CG LEU A 9 -13.280 1.099 -3.785 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.458 -0.063 -2.804 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.843 2.370 -3.136 1.00 0.00 C ATOM 0 H LEU A 9 -12.075 0.289 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.317 2.938 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.349 0.283 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.268 1.758 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.824 0.897 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.512 -0.161 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.111 -0.987 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.878 0.131 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.890 2.213 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.276 2.600 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.764 3.202 -3.836 1.00 0.00 H new ATOM 206 N PHE A 10 -9.243 1.712 -5.762 1.00 0.00 N ATOM 207 CA PHE A 10 -7.817 2.005 -5.966 1.00 0.00 C ATOM 208 C PHE A 10 -7.581 3.080 -7.039 1.00 0.00 C ATOM 209 O PHE A 10 -6.828 4.033 -6.804 1.00 0.00 O ATOM 210 CB PHE A 10 -7.089 0.697 -6.314 1.00 0.00 C ATOM 211 CG PHE A 10 -5.635 0.862 -6.720 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.629 0.933 -5.742 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.278 0.890 -8.084 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.280 1.073 -6.121 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.925 0.993 -8.461 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.927 1.108 -7.478 1.00 0.00 C ATOM 0 H PHE A 10 -9.429 0.710 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.414 2.418 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.137 0.031 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.624 0.206 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.891 0.880 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.045 0.832 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.514 1.154 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.654 0.984 -9.506 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.893 1.223 -7.766 1.00 0.00 H new ATOM 226 N LYS A 11 -8.293 2.982 -8.173 1.00 0.00 N ATOM 227 CA LYS A 11 -8.258 3.917 -9.315 1.00 0.00 C ATOM 228 C LYS A 11 -8.545 5.379 -8.934 1.00 0.00 C ATOM 229 O LYS A 11 -8.088 6.291 -9.618 1.00 0.00 O ATOM 230 CB LYS A 11 -9.215 3.372 -10.398 1.00 0.00 C ATOM 231 CG LYS A 11 -9.159 4.104 -11.751 1.00 0.00 C ATOM 232 CD LYS A 11 -10.215 5.211 -11.903 1.00 0.00 C ATOM 233 CE LYS A 11 -9.974 5.975 -13.212 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.906 7.122 -13.357 1.00 0.00 N ATOM 0 H LYS A 11 -8.942 2.211 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.242 3.960 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.989 2.319 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.235 3.423 -10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.168 4.541 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.291 3.377 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.215 4.777 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.164 5.895 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.946 6.336 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.096 5.297 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.714 7.614 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.886 6.775 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.771 7.781 -12.564 1.00 0.00 H new ATOM 248 N THR A 12 -9.263 5.599 -7.832 1.00 0.00 N ATOM 249 CA THR A 12 -9.593 6.901 -7.226 1.00 0.00 C ATOM 250 C THR A 12 -9.377 6.913 -5.694 1.00 0.00 C ATOM 251 O THR A 12 -10.124 7.557 -4.946 1.00 0.00 O ATOM 252 CB THR A 12 -11.002 7.344 -7.665 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.286 8.640 -7.199 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.122 6.407 -7.219 1.00 0.00 C ATOM 0 H THR A 12 -9.658 4.824 -7.299 1.00 0.00 H new ATOM 0 HA THR A 12 -8.893 7.648 -7.600 1.00 0.00 H new ATOM 0 HB THR A 12 -10.977 7.319 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.020 8.715 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.080 6.792 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.955 5.415 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.132 6.344 -6.131 1.00 0.00 H new ATOM 262 N ARG A 13 -8.336 6.213 -5.214 1.00 0.00 N ATOM 263 CA ARG A 13 -7.805 6.283 -3.834 1.00 0.00 C ATOM 264 C ARG A 13 -6.275 6.378 -3.825 1.00 0.00 C ATOM 265 O ARG A 13 -5.726 7.343 -3.297 1.00 0.00 O ATOM 266 CB ARG A 13 -8.277 5.080 -2.984 1.00 0.00 C ATOM 267 CG ARG A 13 -9.793 4.955 -2.750 1.00 0.00 C ATOM 268 CD ARG A 13 -10.421 6.047 -1.882 1.00 0.00 C ATOM 269 NE ARG A 13 -11.869 5.794 -1.716 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.844 6.195 -2.517 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.596 6.908 -3.579 1.00 0.00 N ATOM 272 NH2 ARG A 13 -14.088 5.863 -2.284 1.00 0.00 N ATOM 0 H ARG A 13 -7.818 5.555 -5.796 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.203 7.193 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.930 4.166 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.786 5.135 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.293 4.954 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.992 3.989 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.934 6.072 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.265 7.023 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.146 5.253 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.636 7.167 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.362 7.207 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.319 5.287 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.827 6.181 -2.911 1.00 0.00 H new ATOM 286 N CYS A 14 -5.601 5.409 -4.450 1.00 0.00 N ATOM 287 CA CYS A 14 -4.152 5.199 -4.342 1.00 0.00 C ATOM 288 C CYS A 14 -3.430 5.403 -5.682 1.00 0.00 C ATOM 289 O CYS A 14 -2.264 5.793 -5.689 1.00 0.00 O ATOM 290 CB CYS A 14 -3.849 3.778 -3.845 1.00 0.00 C ATOM 291 SG CYS A 14 -5.046 2.971 -2.730 1.00 0.00 S ATOM 0 H CYS A 14 -6.058 4.731 -5.060 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.787 5.941 -3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.729 3.139 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.886 3.804 -3.335 1.00 0.00 H new ATOM 296 N LEU A 15 -4.102 5.199 -6.828 1.00 0.00 N ATOM 297 CA LEU A 15 -3.506 5.316 -8.172 1.00 0.00 C ATOM 298 C LEU A 15 -2.882 6.703 -8.452 1.00 0.00 C ATOM 299 O LEU A 15 -1.925 6.839 -9.219 1.00 0.00 O ATOM 300 CB LEU A 15 -4.581 4.935 -9.210 1.00 0.00 C ATOM 301 CG LEU A 15 -4.097 4.913 -10.672 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.096 3.795 -10.951 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.272 4.722 -11.629 1.00 0.00 C ATOM 0 H LEU A 15 -5.089 4.944 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.664 4.627 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.974 3.950 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.409 5.639 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.609 5.875 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.792 3.831 -11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.221 3.923 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.559 2.831 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.907 4.710 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.770 3.778 -11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.979 5.542 -11.505 1.00 0.00 H new ATOM 315 N GLN A 16 -3.364 7.741 -7.758 1.00 0.00 N ATOM 316 CA GLN A 16 -2.737 9.065 -7.730 1.00 0.00 C ATOM 317 C GLN A 16 -1.237 9.012 -7.376 1.00 0.00 C ATOM 318 O GLN A 16 -0.451 9.677 -8.046 1.00 0.00 O ATOM 319 CB GLN A 16 -3.534 10.026 -6.833 1.00 0.00 C ATOM 320 CG GLN A 16 -3.590 9.646 -5.345 1.00 0.00 C ATOM 321 CD GLN A 16 -4.399 10.655 -4.535 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.338 11.855 -4.728 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.196 10.207 -3.595 1.00 0.00 N ATOM 0 H GLN A 16 -4.211 7.683 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.771 9.464 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.099 11.022 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.554 10.089 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.032 8.656 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.577 9.587 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.262 9.205 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.750 10.861 -3.042 1.00 0.00 H new ATOM 332 N CYS A 17 -0.811 8.140 -6.455 1.00 0.00 N ATOM 333 CA CYS A 17 0.570 8.056 -5.961 1.00 0.00 C ATOM 334 C CYS A 17 1.322 6.774 -6.338 1.00 0.00 C ATOM 335 O CYS A 17 2.549 6.756 -6.235 1.00 0.00 O ATOM 336 CB CYS A 17 0.581 8.201 -4.436 1.00 0.00 C ATOM 337 SG CYS A 17 0.029 9.825 -3.843 1.00 0.00 S ATOM 0 H CYS A 17 -1.431 7.456 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 17 1.098 8.872 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.059 7.432 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.592 8.017 -4.071 1.00 0.00 H new ATOM 342 N HIS A 18 0.621 5.717 -6.757 1.00 0.00 N ATOM 343 CA HIS A 18 1.135 4.351 -6.892 1.00 0.00 C ATOM 344 C HIS A 18 0.761 3.678 -8.218 1.00 0.00 C ATOM 345 O HIS A 18 -0.084 4.158 -8.968 1.00 0.00 O ATOM 346 CB HIS A 18 0.559 3.522 -5.735 1.00 0.00 C ATOM 347 CG HIS A 18 1.217 3.800 -4.416 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.568 3.745 -4.179 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.588 4.024 -3.225 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.752 3.897 -2.864 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.572 4.078 -2.239 1.00 0.00 N ATOM 0 H HIS A 18 -0.361 5.793 -7.022 1.00 0.00 H new ATOM 0 HA HIS A 18 2.224 4.404 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.509 3.724 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.665 2.463 -5.969 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.298 3.612 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.475 4.138 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.713 3.877 -2.371 1.00 0.00 H new ATOM 359 N THR A 19 1.345 2.504 -8.458 1.00 0.00 N ATOM 360 CA THR A 19 0.993 1.573 -9.540 1.00 0.00 C ATOM 361 C THR A 19 0.936 0.135 -9.021 1.00 0.00 C ATOM 362 O THR A 19 1.553 -0.177 -8.005 1.00 0.00 O ATOM 363 CB THR A 19 2.016 1.649 -10.680 1.00 0.00 C ATOM 364 OG1 THR A 19 3.301 1.309 -10.217 1.00 0.00 O ATOM 365 CG2 THR A 19 2.122 3.041 -11.301 1.00 0.00 C ATOM 0 H THR A 19 2.111 2.157 -7.880 1.00 0.00 H new ATOM 0 HA THR A 19 0.011 1.863 -9.915 1.00 0.00 H new ATOM 0 HB THR A 19 1.659 0.947 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.965 1.901 -10.630 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.862 3.027 -12.101 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.154 3.333 -11.708 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.426 3.758 -10.538 1.00 0.00 H new ATOM 373 N VAL A 20 0.257 -0.755 -9.751 1.00 0.00 N ATOM 374 CA VAL A 20 0.295 -2.219 -9.529 1.00 0.00 C ATOM 375 C VAL A 20 0.623 -3.004 -10.802 1.00 0.00 C ATOM 376 O VAL A 20 0.730 -4.229 -10.805 1.00 0.00 O ATOM 377 CB VAL A 20 -1.015 -2.677 -8.868 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.142 -2.988 -9.862 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.789 -3.874 -7.945 1.00 0.00 C ATOM 0 H VAL A 20 -0.346 -0.483 -10.527 1.00 0.00 H new ATOM 0 HA VAL A 20 1.116 -2.439 -8.847 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.345 -1.822 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.031 -3.304 -9.317 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.371 -2.095 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.825 -3.786 -10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.737 -4.171 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.385 -4.706 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.085 -3.600 -7.160 1.00 0.00 H new ATOM 389 N GLU A 21 0.815 -2.287 -11.906 1.00 0.00 N ATOM 390 CA GLU A 21 1.378 -2.864 -13.120 1.00 0.00 C ATOM 391 C GLU A 21 2.895 -2.804 -13.192 1.00 0.00 C ATOM 392 O GLU A 21 3.587 -2.082 -12.475 1.00 0.00 O ATOM 393 CB GLU A 21 0.752 -2.304 -14.413 1.00 0.00 C ATOM 394 CG GLU A 21 -0.408 -3.180 -14.913 1.00 0.00 C ATOM 395 CD GLU A 21 0.089 -4.623 -15.056 1.00 0.00 C ATOM 396 OE1 GLU A 21 1.229 -4.806 -15.533 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.485 -5.509 -14.389 1.00 0.00 O ATOM 0 H GLU A 21 0.586 -1.296 -11.983 1.00 0.00 H new ATOM 0 HA GLU A 21 1.107 -3.917 -13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.391 -1.291 -14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.516 -2.237 -15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.243 -3.136 -14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.775 -2.810 -15.871 1.00 0.00 H new ATOM 404 N LYS A 22 3.370 -3.640 -14.104 1.00 0.00 N ATOM 405 CA LYS A 22 4.743 -4.053 -14.319 1.00 0.00 C ATOM 406 C LYS A 22 5.572 -2.882 -14.852 1.00 0.00 C ATOM 407 O LYS A 22 6.579 -2.512 -14.259 1.00 0.00 O ATOM 408 CB LYS A 22 4.690 -5.291 -15.196 1.00 0.00 C ATOM 409 CG LYS A 22 4.547 -6.561 -14.334 1.00 0.00 C ATOM 410 CD LYS A 22 3.120 -7.043 -13.994 1.00 0.00 C ATOM 411 CE LYS A 22 2.581 -6.433 -12.686 1.00 0.00 C ATOM 412 NZ LYS A 22 1.116 -6.610 -12.508 1.00 0.00 N ATOM 0 H LYS A 22 2.742 -4.086 -14.773 1.00 0.00 H new ATOM 0 HA LYS A 22 5.262 -4.330 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.850 -5.218 -15.887 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.595 -5.355 -15.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.062 -7.374 -14.847 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.075 -6.390 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.449 -6.785 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.118 -8.130 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.099 -6.888 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.815 -5.369 -12.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.766 -5.926 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.634 -6.452 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.921 -7.576 -12.176 1.00 0.00 H new ATOM 426 N GLY A 23 5.070 -2.210 -15.891 1.00 0.00 N ATOM 427 CA GLY A 23 5.581 -0.932 -16.410 1.00 0.00 C ATOM 428 C GLY A 23 5.190 0.280 -15.552 1.00 0.00 C ATOM 429 O GLY A 23 4.686 1.271 -16.071 1.00 0.00 O ATOM 0 H GLY A 23 4.265 -2.552 -16.416 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.668 -0.985 -16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.207 -0.785 -17.423 1.00 0.00 H new ATOM 433 N GLY A 24 5.381 0.196 -14.233 1.00 0.00 N ATOM 434 CA GLY A 24 4.911 1.178 -13.251 1.00 0.00 C ATOM 435 C GLY A 24 6.059 1.938 -12.567 1.00 0.00 C ATOM 436 O GLY A 24 6.682 1.372 -11.664 1.00 0.00 O ATOM 0 H GLY A 24 5.883 -0.582 -13.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.253 1.893 -13.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.316 0.669 -12.492 1.00 0.00 H new ATOM 440 N PRO A 25 6.385 3.179 -12.980 1.00 0.00 N ATOM 441 CA PRO A 25 7.475 3.942 -12.375 1.00 0.00 C ATOM 442 C PRO A 25 7.142 4.375 -10.940 1.00 0.00 C ATOM 443 O PRO A 25 5.989 4.654 -10.609 1.00 0.00 O ATOM 444 CB PRO A 25 7.676 5.149 -13.300 1.00 0.00 C ATOM 445 CG PRO A 25 6.287 5.375 -13.895 1.00 0.00 C ATOM 446 CD PRO A 25 5.727 3.958 -14.020 1.00 0.00 C ATOM 0 HA PRO A 25 8.383 3.345 -12.285 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.024 6.023 -12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.416 4.943 -14.074 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.668 5.997 -13.248 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.340 5.874 -14.863 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.645 3.952 -13.888 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.930 3.543 -15.007 1.00 0.00 H new ATOM 454 N HIS A 26 8.170 4.488 -10.095 1.00 0.00 N ATOM 455 CA HIS A 26 8.078 5.066 -8.751 1.00 0.00 C ATOM 456 C HIS A 26 7.680 6.556 -8.832 1.00 0.00 C ATOM 457 O HIS A 26 8.520 7.427 -9.034 1.00 0.00 O ATOM 458 CB HIS A 26 9.408 4.888 -8.003 1.00 0.00 C ATOM 459 CG HIS A 26 10.012 3.505 -7.994 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.594 2.427 -7.248 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.165 3.140 -8.635 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.451 1.417 -7.472 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.419 1.807 -8.312 1.00 0.00 N ATOM 0 H HIS A 26 9.111 4.173 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 26 7.303 4.541 -8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.136 5.572 -8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.259 5.199 -6.969 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.768 3.769 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.371 0.432 -7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.194 1.237 -8.651 1.00 0.00 H new ATOM 471 N LYS A 27 6.378 6.826 -8.755 1.00 0.00 N ATOM 472 CA LYS A 27 5.706 8.122 -8.917 1.00 0.00 C ATOM 473 C LYS A 27 5.866 8.995 -7.651 1.00 0.00 C ATOM 474 O LYS A 27 6.982 9.341 -7.263 1.00 0.00 O ATOM 475 CB LYS A 27 4.263 7.743 -9.308 1.00 0.00 C ATOM 476 CG LYS A 27 3.391 8.852 -9.908 1.00 0.00 C ATOM 477 CD LYS A 27 1.971 8.288 -10.055 1.00 0.00 C ATOM 478 CE LYS A 27 1.051 9.232 -10.828 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.355 8.783 -10.708 1.00 0.00 N ATOM 0 H LYS A 27 5.706 6.083 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 27 6.133 8.764 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.310 6.924 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.761 7.360 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.390 9.731 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.782 9.166 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.015 7.327 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.551 8.104 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.151 10.247 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.344 9.259 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.908 9.155 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.390 7.744 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.757 9.134 -9.815 1.00 0.00 H new ATOM 493 N VAL A 28 4.769 9.337 -6.968 1.00 0.00 N ATOM 494 CA VAL A 28 4.827 9.910 -5.609 1.00 0.00 C ATOM 495 C VAL A 28 5.355 8.862 -4.618 1.00 0.00 C ATOM 496 O VAL A 28 6.169 9.200 -3.757 1.00 0.00 O ATOM 497 CB VAL A 28 3.456 10.454 -5.167 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.521 11.166 -3.812 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.882 11.449 -6.185 1.00 0.00 C ATOM 0 H VAL A 28 3.822 9.228 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 28 5.517 10.754 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 28 2.812 9.578 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.529 11.531 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.868 10.468 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.212 12.006 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.914 11.809 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.565 12.292 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.759 10.954 -7.148 1.00 0.00 H new ATOM 509 N GLY A 29 4.951 7.595 -4.781 1.00 0.00 N ATOM 510 CA GLY A 29 5.475 6.430 -4.061 1.00 0.00 C ATOM 511 C GLY A 29 5.944 5.306 -5.003 1.00 0.00 C ATOM 512 O GLY A 29 5.863 5.445 -6.225 1.00 0.00 O ATOM 0 H GLY A 29 4.219 7.345 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.309 6.742 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.703 6.042 -3.397 1.00 0.00 H new ATOM 516 N PRO A 30 6.459 4.190 -4.458 1.00 0.00 N ATOM 517 CA PRO A 30 6.951 3.074 -5.261 1.00 0.00 C ATOM 518 C PRO A 30 5.826 2.259 -5.920 1.00 0.00 C ATOM 519 O PRO A 30 4.642 2.478 -5.676 1.00 0.00 O ATOM 520 CB PRO A 30 7.783 2.232 -4.285 1.00 0.00 C ATOM 521 CG PRO A 30 7.044 2.440 -2.967 1.00 0.00 C ATOM 522 CD PRO A 30 6.615 3.903 -3.040 1.00 0.00 C ATOM 0 HA PRO A 30 7.540 3.426 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.810 1.182 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.816 2.575 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.187 1.772 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.689 2.251 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.682 4.066 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.362 4.555 -2.587 1.00 0.00 H new ATOM 530 N ASN A 31 6.207 1.290 -6.756 1.00 0.00 N ATOM 531 CA ASN A 31 5.293 0.287 -7.307 1.00 0.00 C ATOM 532 C ASN A 31 4.821 -0.708 -6.214 1.00 0.00 C ATOM 533 O ASN A 31 5.499 -0.863 -5.199 1.00 0.00 O ATOM 534 CB ASN A 31 6.049 -0.406 -8.456 1.00 0.00 C ATOM 535 CG ASN A 31 5.135 -1.013 -9.498 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.020 -1.451 -9.253 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.537 -1.022 -10.736 1.00 0.00 N ATOM 0 H ASN A 31 7.170 1.179 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 31 4.379 0.745 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.706 0.318 -8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.686 -1.188 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.927 -1.387 -11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.462 -0.664 -10.975 1.00 0.00 H new ATOM 544 N LEU A 32 3.682 -1.383 -6.418 1.00 0.00 N ATOM 545 CA LEU A 32 3.035 -2.225 -5.401 1.00 0.00 C ATOM 546 C LEU A 32 2.874 -3.712 -5.779 1.00 0.00 C ATOM 547 O LEU A 32 2.529 -4.517 -4.918 1.00 0.00 O ATOM 548 CB LEU A 32 1.677 -1.609 -5.013 1.00 0.00 C ATOM 549 CG LEU A 32 1.718 -0.209 -4.369 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.293 0.214 -4.008 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.545 -0.147 -3.083 1.00 0.00 C ATOM 0 H LEU A 32 3.177 -1.360 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 32 3.714 -2.236 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.058 -1.555 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.179 -2.289 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 32 2.183 0.449 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.312 1.204 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.318 0.242 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.132 -0.502 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.528 0.869 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.123 -0.830 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.574 -0.435 -3.298 1.00 0.00 H new ATOM 563 N HIS A 33 3.135 -4.135 -7.020 1.00 0.00 N ATOM 564 CA HIS A 33 3.170 -5.560 -7.361 1.00 0.00 C ATOM 565 C HIS A 33 4.457 -6.202 -6.819 1.00 0.00 C ATOM 566 O HIS A 33 5.565 -5.885 -7.237 1.00 0.00 O ATOM 567 CB HIS A 33 2.953 -5.795 -8.859 1.00 0.00 C ATOM 568 CG HIS A 33 4.095 -5.424 -9.771 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.480 -4.157 -10.152 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.955 -6.309 -10.361 1.00 0.00 C ATOM 571 CE1 HIS A 33 5.570 -4.284 -10.927 1.00 0.00 C ATOM 572 NE2 HIS A 33 5.870 -5.575 -11.108 1.00 0.00 N ATOM 0 H HIS A 33 3.325 -3.511 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 33 2.334 -6.059 -6.872 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.726 -6.850 -9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.073 -5.232 -9.169 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.022 -3.283 -9.893 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.928 -7.384 -10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.127 -3.459 -11.346 1.00 0.00 H new ATOM 580 N GLY A 34 4.285 -7.067 -5.822 1.00 0.00 N ATOM 581 CA GLY A 34 5.355 -7.832 -5.160 1.00 0.00 C ATOM 582 C GLY A 34 5.601 -7.476 -3.690 1.00 0.00 C ATOM 583 O GLY A 34 6.481 -8.061 -3.064 1.00 0.00 O ATOM 0 H GLY A 34 3.363 -7.267 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.114 -8.893 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.282 -7.682 -5.713 1.00 0.00 H new ATOM 587 N ILE A 35 4.832 -6.534 -3.131 1.00 0.00 N ATOM 588 CA ILE A 35 4.932 -6.119 -1.719 1.00 0.00 C ATOM 589 C ILE A 35 4.636 -7.259 -0.731 1.00 0.00 C ATOM 590 O ILE A 35 5.286 -7.359 0.306 1.00 0.00 O ATOM 591 CB ILE A 35 4.020 -4.898 -1.442 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.526 -5.214 -1.710 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.547 -3.701 -2.254 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.590 -4.005 -1.677 1.00 0.00 C ATOM 0 H ILE A 35 4.113 -6.030 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 35 5.970 -5.832 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 35 4.059 -4.640 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.441 -5.693 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.185 -5.938 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.916 -2.831 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.570 -3.478 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.529 -3.945 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.569 -4.330 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.637 -3.535 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.897 -3.287 -2.437 1.00 0.00 H new ATOM 606 N PHE A 36 3.662 -8.119 -1.046 1.00 0.00 N ATOM 607 CA PHE A 36 3.199 -9.194 -0.168 1.00 0.00 C ATOM 608 C PHE A 36 4.316 -10.201 0.141 1.00 0.00 C ATOM 609 O PHE A 36 4.799 -10.916 -0.736 1.00 0.00 O ATOM 610 CB PHE A 36 1.920 -9.831 -0.731 1.00 0.00 C ATOM 611 CG PHE A 36 0.722 -8.920 -0.522 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.207 -8.767 0.779 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.207 -8.133 -1.571 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.773 -7.800 1.040 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.783 -7.166 -1.306 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.257 -6.985 0.007 1.00 0.00 C ATOM 0 H PHE A 36 3.165 -8.085 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 36 2.932 -8.769 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.047 -10.032 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.742 -10.790 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.568 -9.397 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.571 -8.271 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.158 -7.682 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.178 -6.564 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.991 -6.221 0.218 1.00 0.00 H new ATOM 626 N GLY A 37 4.756 -10.205 1.405 1.00 0.00 N ATOM 627 CA GLY A 37 5.881 -11.016 1.885 1.00 0.00 C ATOM 628 C GLY A 37 7.247 -10.317 1.826 1.00 0.00 C ATOM 629 O GLY A 37 8.285 -10.984 1.898 1.00 0.00 O ATOM 0 H GLY A 37 4.332 -9.634 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.684 -11.312 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.930 -11.931 1.294 1.00 0.00 H new ATOM 633 N ARG A 38 7.304 -8.989 1.682 1.00 0.00 N ATOM 634 CA ARG A 38 8.533 -8.176 1.778 1.00 0.00 C ATOM 635 C ARG A 38 8.452 -7.155 2.909 1.00 0.00 C ATOM 636 O ARG A 38 7.406 -7.010 3.525 1.00 0.00 O ATOM 637 CB ARG A 38 8.820 -7.488 0.434 1.00 0.00 C ATOM 638 CG ARG A 38 10.164 -7.936 -0.142 1.00 0.00 C ATOM 639 CD ARG A 38 10.032 -9.328 -0.762 1.00 0.00 C ATOM 640 NE ARG A 38 11.331 -10.032 -0.740 1.00 0.00 N ATOM 641 CZ ARG A 38 11.745 -10.903 0.166 1.00 0.00 C ATOM 642 NH1 ARG A 38 10.976 -11.342 1.124 1.00 0.00 N ATOM 643 NH2 ARG A 38 12.970 -11.359 0.125 1.00 0.00 N ATOM 0 H ARG A 38 6.474 -8.428 1.489 1.00 0.00 H new ATOM 0 HA ARG A 38 9.360 -8.846 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.023 -7.719 -0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.822 -6.406 0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.501 -7.224 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.919 -7.950 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.289 -9.907 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.676 -9.243 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 38 11.976 -9.825 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.013 -11.014 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.338 -12.014 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.608 -11.043 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.288 -12.030 0.824 1.00 0.00 H new ATOM 657 N HIS A 39 9.568 -6.493 3.197 1.00 0.00 N ATOM 658 CA HIS A 39 9.658 -5.547 4.310 1.00 0.00 C ATOM 659 C HIS A 39 9.488 -4.092 3.847 1.00 0.00 C ATOM 660 O HIS A 39 9.841 -3.781 2.713 1.00 0.00 O ATOM 661 CB HIS A 39 11.013 -5.699 4.999 1.00 0.00 C ATOM 662 CG HIS A 39 11.195 -7.031 5.663 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.195 -7.940 5.420 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.428 -7.507 6.682 1.00 0.00 C ATOM 665 CE1 HIS A 39 12.005 -8.973 6.261 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.926 -8.765 7.029 1.00 0.00 N ATOM 0 H HIS A 39 10.435 -6.595 2.669 1.00 0.00 H new ATOM 0 HA HIS A 39 8.848 -5.775 5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.805 -5.556 4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.124 -4.911 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.588 -7.004 7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.635 -9.849 6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.544 -9.401 7.729 1.00 0.00 H new ATOM 674 N SER A 40 9.023 -3.188 4.716 1.00 0.00 N ATOM 675 CA SER A 40 8.838 -1.768 4.382 1.00 0.00 C ATOM 676 C SER A 40 10.145 -1.051 4.022 1.00 0.00 C ATOM 677 O SER A 40 11.089 -1.018 4.816 1.00 0.00 O ATOM 678 CB SER A 40 8.072 -1.019 5.477 1.00 0.00 C ATOM 679 OG SER A 40 8.812 -0.888 6.671 1.00 0.00 O ATOM 0 H SER A 40 8.763 -3.420 5.675 1.00 0.00 H new ATOM 0 HA SER A 40 8.228 -1.756 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.802 -0.028 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.141 -1.546 5.688 1.00 0.00 H new ATOM 0 HG SER A 40 9.411 -0.116 6.601 1.00 0.00 H new ATOM 685 N GLY A 41 10.185 -0.482 2.818 1.00 0.00 N ATOM 686 CA GLY A 41 11.393 0.113 2.232 1.00 0.00 C ATOM 687 C GLY A 41 12.225 -0.903 1.444 1.00 0.00 C ATOM 688 O GLY A 41 13.089 -1.570 2.008 1.00 0.00 O ATOM 0 H GLY A 41 9.368 -0.419 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.107 0.933 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.005 0.541 3.026 1.00 0.00 H new ATOM 692 N GLN A 42 11.968 -1.010 0.135 1.00 0.00 N ATOM 693 CA GLN A 42 12.462 -2.102 -0.717 1.00 0.00 C ATOM 694 C GLN A 42 13.387 -1.653 -1.858 1.00 0.00 C ATOM 695 O GLN A 42 14.492 -2.165 -1.992 1.00 0.00 O ATOM 696 CB GLN A 42 11.273 -2.866 -1.312 1.00 0.00 C ATOM 697 CG GLN A 42 10.342 -3.444 -0.250 1.00 0.00 C ATOM 698 CD GLN A 42 9.131 -4.059 -0.903 1.00 0.00 C ATOM 699 OE1 GLN A 42 9.161 -5.143 -1.459 1.00 0.00 O ATOM 700 NE2 GLN A 42 8.028 -3.374 -0.924 1.00 0.00 N ATOM 0 H GLN A 42 11.402 -0.330 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 42 13.063 -2.736 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.706 -2.197 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.646 -3.676 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.870 -4.196 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.033 -2.659 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.984 -2.465 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.206 -3.745 -1.400 1.00 0.00 H new ATOM 709 N ALA A 43 12.896 -0.796 -2.759 1.00 0.00 N ATOM 710 CA ALA A 43 13.516 -0.541 -4.058 1.00 0.00 C ATOM 711 C ALA A 43 14.872 0.192 -3.977 1.00 0.00 C ATOM 712 O ALA A 43 14.905 1.406 -3.800 1.00 0.00 O ATOM 713 CB ALA A 43 12.510 0.224 -4.928 1.00 0.00 C ATOM 0 H ALA A 43 12.046 -0.254 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 43 13.758 -1.503 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.952 0.425 -5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.609 -0.376 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.254 1.167 -4.444 1.00 0.00 H new ATOM 719 N GLU A 44 15.983 -0.513 -4.216 1.00 0.00 N ATOM 720 CA GLU A 44 17.367 0.010 -4.223 1.00 0.00 C ATOM 721 C GLU A 44 17.590 1.280 -5.072 1.00 0.00 C ATOM 722 O GLU A 44 18.524 2.039 -4.819 1.00 0.00 O ATOM 723 CB GLU A 44 18.309 -1.095 -4.733 1.00 0.00 C ATOM 724 CG GLU A 44 18.375 -2.318 -3.807 1.00 0.00 C ATOM 725 CD GLU A 44 19.155 -3.450 -4.482 1.00 0.00 C ATOM 726 OE1 GLU A 44 20.401 -3.352 -4.528 1.00 0.00 O ATOM 727 OE2 GLU A 44 18.487 -4.389 -4.970 1.00 0.00 O ATOM 0 H GLU A 44 15.948 -1.512 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 44 17.577 0.302 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 44 17.980 -1.415 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.311 -0.682 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.855 -2.046 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.367 -2.655 -3.565 1.00 0.00 H new ATOM 734 N GLY A 45 16.728 1.537 -6.063 1.00 0.00 N ATOM 735 CA GLY A 45 16.784 2.701 -6.953 1.00 0.00 C ATOM 736 C GLY A 45 15.880 3.881 -6.567 1.00 0.00 C ATOM 737 O GLY A 45 15.767 4.816 -7.358 1.00 0.00 O ATOM 0 H GLY A 45 15.945 0.918 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.814 3.055 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.518 2.378 -7.960 1.00 0.00 H new ATOM 741 N TYR A 46 15.192 3.856 -5.417 1.00 0.00 N ATOM 742 CA TYR A 46 14.245 4.909 -5.010 1.00 0.00 C ATOM 743 C TYR A 46 14.292 5.236 -3.509 1.00 0.00 C ATOM 744 O TYR A 46 14.194 4.357 -2.653 1.00 0.00 O ATOM 745 CB TYR A 46 12.832 4.535 -5.456 1.00 0.00 C ATOM 746 CG TYR A 46 11.860 5.693 -5.347 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.206 5.934 -4.128 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.619 6.537 -6.447 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.227 6.941 -4.033 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.634 7.542 -6.366 1.00 0.00 C ATOM 751 CZ TYR A 46 9.912 7.723 -5.169 1.00 0.00 C ATOM 752 OH TYR A 46 8.925 8.657 -5.103 1.00 0.00 O ATOM 0 H TYR A 46 15.276 3.100 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 46 14.554 5.826 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.861 4.186 -6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.471 3.705 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.455 5.344 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.190 6.414 -7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.718 7.116 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.433 8.172 -7.220 1.00 0.00 H new ATOM 0 HH TYR A 46 8.436 8.677 -5.952 1.00 0.00 H new ATOM 762 N SER A 47 14.392 6.529 -3.190 1.00 0.00 N ATOM 763 CA SER A 47 14.401 7.086 -1.828 1.00 0.00 C ATOM 764 C SER A 47 13.049 6.987 -1.105 1.00 0.00 C ATOM 765 O SER A 47 12.142 7.788 -1.346 1.00 0.00 O ATOM 766 CB SER A 47 14.822 8.559 -1.863 1.00 0.00 C ATOM 767 OG SER A 47 16.061 8.714 -2.524 1.00 0.00 O ATOM 0 H SER A 47 14.473 7.252 -3.905 1.00 0.00 H new ATOM 0 HA SER A 47 15.115 6.481 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.058 9.148 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.897 8.944 -0.846 1.00 0.00 H new ATOM 0 HG SER A 47 16.309 9.662 -2.536 1.00 0.00 H new ATOM 773 N TYR A 48 12.931 6.030 -0.187 1.00 0.00 N ATOM 774 CA TYR A 48 11.930 6.029 0.885 1.00 0.00 C ATOM 775 C TYR A 48 12.313 7.018 2.013 1.00 0.00 C ATOM 776 O TYR A 48 13.425 7.557 1.997 1.00 0.00 O ATOM 777 CB TYR A 48 11.840 4.606 1.451 1.00 0.00 C ATOM 778 CG TYR A 48 11.278 3.576 0.494 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.091 2.996 -0.498 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.940 3.173 0.617 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.567 2.018 -1.358 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.436 2.141 -0.190 1.00 0.00 C ATOM 783 CZ TYR A 48 10.247 1.554 -1.183 1.00 0.00 C ATOM 784 OH TYR A 48 9.797 0.516 -1.934 1.00 0.00 O ATOM 0 H TYR A 48 13.542 5.213 -0.165 1.00 0.00 H new ATOM 0 HA TYR A 48 10.969 6.347 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.836 4.289 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.220 4.625 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.121 3.304 -0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.296 3.658 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.176 1.620 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.423 1.795 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 48 9.374 -0.149 -1.352 1.00 0.00 H new ATOM 794 N THR A 49 11.453 7.227 3.019 1.00 0.00 N ATOM 795 CA THR A 49 11.934 7.737 4.316 1.00 0.00 C ATOM 796 C THR A 49 12.770 6.701 5.057 1.00 0.00 C ATOM 797 O THR A 49 12.477 5.504 5.044 1.00 0.00 O ATOM 798 CB THR A 49 10.834 8.177 5.294 1.00 0.00 C ATOM 799 OG1 THR A 49 9.910 7.159 5.586 1.00 0.00 O ATOM 800 CG2 THR A 49 10.108 9.413 4.800 1.00 0.00 C ATOM 0 H THR A 49 10.448 7.058 2.967 1.00 0.00 H new ATOM 0 HA THR A 49 12.518 8.611 4.028 1.00 0.00 H new ATOM 0 HB THR A 49 11.351 8.418 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.102 7.285 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.338 9.694 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.818 10.233 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.646 9.202 3.836 1.00 0.00 H new ATOM 808 N ASP A 50 13.740 7.198 5.827 1.00 0.00 N ATOM 809 CA ASP A 50 14.389 6.437 6.894 1.00 0.00 C ATOM 810 C ASP A 50 13.345 5.812 7.834 1.00 0.00 C ATOM 811 O ASP A 50 13.367 4.604 8.029 1.00 0.00 O ATOM 812 CB ASP A 50 15.362 7.334 7.666 1.00 0.00 C ATOM 813 CG ASP A 50 15.931 6.570 8.863 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.814 5.715 8.637 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.413 6.787 9.979 1.00 0.00 O ATOM 0 H ASP A 50 14.099 8.147 5.726 1.00 0.00 H new ATOM 0 HA ASP A 50 14.957 5.622 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.171 7.657 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.849 8.233 8.007 1.00 0.00 H new ATOM 820 N ALA A 51 12.375 6.590 8.328 1.00 0.00 N ATOM 821 CA ALA A 51 11.305 6.129 9.219 1.00 0.00 C ATOM 822 C ALA A 51 10.569 4.873 8.704 1.00 0.00 C ATOM 823 O ALA A 51 10.259 3.975 9.490 1.00 0.00 O ATOM 824 CB ALA A 51 10.333 7.295 9.452 1.00 0.00 C ATOM 0 H ALA A 51 12.311 7.585 8.113 1.00 0.00 H new ATOM 0 HA ALA A 51 11.758 5.819 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.529 6.972 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.867 8.128 9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.912 7.614 8.498 1.00 0.00 H new ATOM 830 N ASN A 52 10.313 4.792 7.395 1.00 0.00 N ATOM 831 CA ASN A 52 9.742 3.618 6.734 1.00 0.00 C ATOM 832 C ASN A 52 10.737 2.447 6.616 1.00 0.00 C ATOM 833 O ASN A 52 10.379 1.303 6.901 1.00 0.00 O ATOM 834 CB ASN A 52 9.190 4.060 5.371 1.00 0.00 C ATOM 835 CG ASN A 52 8.600 2.902 4.599 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.495 2.452 4.846 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.319 2.361 3.649 1.00 0.00 N ATOM 0 H ASN A 52 10.502 5.560 6.751 1.00 0.00 H new ATOM 0 HA ASN A 52 8.932 3.223 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.427 4.824 5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.989 4.516 4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.953 1.568 3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.245 2.732 3.436 1.00 0.00 H new ATOM 844 N ILE A 53 11.992 2.713 6.238 1.00 0.00 N ATOM 845 CA ILE A 53 13.074 1.710 6.146 1.00 0.00 C ATOM 846 C ILE A 53 13.405 1.111 7.513 1.00 0.00 C ATOM 847 O ILE A 53 13.320 -0.099 7.701 1.00 0.00 O ATOM 848 CB ILE A 53 14.339 2.325 5.512 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.102 2.729 4.038 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.550 1.368 5.592 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.134 3.745 3.524 1.00 0.00 C ATOM 0 H ILE A 53 12.297 3.652 5.980 1.00 0.00 H new ATOM 0 HA ILE A 53 12.716 0.904 5.505 1.00 0.00 H new ATOM 0 HB ILE A 53 14.563 3.220 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.135 1.837 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.102 3.152 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.419 1.841 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.768 1.143 6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.319 0.444 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.917 3.990 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.085 4.651 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.133 3.316 3.594 1.00 0.00 H new ATOM 863 N LYS A 54 13.734 1.946 8.504 1.00 0.00 N ATOM 864 CA LYS A 54 13.957 1.584 9.907 1.00 0.00 C ATOM 865 C LYS A 54 12.800 0.828 10.542 1.00 0.00 C ATOM 866 O LYS A 54 13.030 0.248 11.607 1.00 0.00 O ATOM 867 CB LYS A 54 14.246 2.856 10.727 1.00 0.00 C ATOM 868 CG LYS A 54 15.702 3.312 10.607 1.00 0.00 C ATOM 869 CD LYS A 54 16.638 2.777 11.705 1.00 0.00 C ATOM 870 CE LYS A 54 16.786 1.246 11.755 1.00 0.00 C ATOM 871 NZ LYS A 54 15.715 0.577 12.547 1.00 0.00 N ATOM 0 H LYS A 54 13.858 2.945 8.340 1.00 0.00 H new ATOM 0 HA LYS A 54 14.811 0.907 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.589 3.658 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.012 2.670 11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.087 2.999 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.730 4.402 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.625 3.216 11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.271 3.122 12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.776 0.853 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.756 0.995 12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.076 -0.320 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.424 1.196 13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.897 0.387 11.934 1.00 0.00 H new ATOM 885 N LYS A 55 11.614 0.838 9.920 1.00 0.00 N ATOM 886 CA LYS A 55 10.463 0.018 10.327 1.00 0.00 C ATOM 887 C LYS A 55 10.562 -1.425 9.819 1.00 0.00 C ATOM 888 O LYS A 55 10.207 -2.319 10.579 1.00 0.00 O ATOM 889 CB LYS A 55 9.138 0.677 9.888 1.00 0.00 C ATOM 890 CG LYS A 55 7.968 0.349 10.830 1.00 0.00 C ATOM 891 CD LYS A 55 7.999 1.230 12.092 1.00 0.00 C ATOM 892 CE LYS A 55 7.059 0.722 13.194 1.00 0.00 C ATOM 893 NZ LYS A 55 5.637 0.744 12.774 1.00 0.00 N ATOM 0 H LYS A 55 11.423 1.424 9.108 1.00 0.00 H new ATOM 0 HA LYS A 55 10.477 -0.035 11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.272 1.758 9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.890 0.346 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.024 0.496 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.013 -0.702 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.018 1.268 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.721 2.250 11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.339 -0.295 13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.182 1.337 14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.037 0.425 13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.369 1.712 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.506 0.110 11.960 1.00 0.00 H new ATOM 907 N ASN A 56 11.027 -1.623 8.577 1.00 0.00 N ATOM 908 CA ASN A 56 11.121 -2.885 7.820 1.00 0.00 C ATOM 909 C ASN A 56 9.980 -3.859 8.160 1.00 0.00 C ATOM 910 O ASN A 56 10.196 -5.022 8.471 1.00 0.00 O ATOM 911 CB ASN A 56 12.577 -3.423 7.897 1.00 0.00 C ATOM 912 CG ASN A 56 13.214 -3.771 6.549 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.889 -4.776 6.398 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.075 -2.954 5.528 1.00 0.00 N ATOM 0 H ASN A 56 11.378 -0.839 8.027 1.00 0.00 H new ATOM 0 HA ASN A 56 10.943 -2.718 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.198 -2.676 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.586 -4.313 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.526 -3.168 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.516 -2.106 5.626 1.00 0.00 H new ATOM 921 N VAL A 57 8.744 -3.352 8.118 1.00 0.00 N ATOM 922 CA VAL A 57 7.533 -4.117 8.414 1.00 0.00 C ATOM 923 C VAL A 57 7.270 -5.138 7.334 1.00 0.00 C ATOM 924 O VAL A 57 7.211 -4.783 6.163 1.00 0.00 O ATOM 925 CB VAL A 57 6.308 -3.208 8.668 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.195 -3.189 7.616 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.694 -3.669 9.990 1.00 0.00 C ATOM 0 H VAL A 57 8.556 -2.380 7.873 1.00 0.00 H new ATOM 0 HA VAL A 57 7.704 -4.655 9.347 1.00 0.00 H new ATOM 0 HB VAL A 57 6.698 -2.190 8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.406 -2.507 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.602 -2.854 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.784 -4.192 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.821 -3.058 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.394 -4.714 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.429 -3.565 10.788 1.00 0.00 H new ATOM 937 N LEU A 58 7.120 -6.403 7.716 1.00 0.00 N ATOM 938 CA LEU A 58 6.671 -7.434 6.794 1.00 0.00 C ATOM 939 C LEU A 58 5.242 -7.113 6.326 1.00 0.00 C ATOM 940 O LEU A 58 4.306 -7.059 7.119 1.00 0.00 O ATOM 941 CB LEU A 58 6.800 -8.820 7.443 1.00 0.00 C ATOM 942 CG LEU A 58 6.641 -9.958 6.417 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.867 -10.124 5.510 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.449 -11.288 7.146 1.00 0.00 C ATOM 0 H LEU A 58 7.304 -6.737 8.662 1.00 0.00 H new ATOM 0 HA LEU A 58 7.304 -7.452 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.772 -8.903 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.045 -8.927 8.222 1.00 0.00 H new ATOM 0 HG LEU A 58 5.779 -9.692 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.693 -10.941 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.037 -9.201 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.743 -10.348 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.337 -12.090 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.317 -11.487 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.556 -11.236 7.768 1.00 0.00 H new ATOM 956 N TRP A 59 5.093 -6.826 5.042 1.00 0.00 N ATOM 957 CA TRP A 59 3.821 -6.560 4.378 1.00 0.00 C ATOM 958 C TRP A 59 2.929 -7.807 4.273 1.00 0.00 C ATOM 959 O TRP A 59 2.733 -8.387 3.205 1.00 0.00 O ATOM 960 CB TRP A 59 4.083 -5.875 3.030 1.00 0.00 C ATOM 961 CG TRP A 59 4.630 -4.480 3.113 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.710 -4.006 2.445 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.145 -3.366 3.921 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.913 -2.681 2.781 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.016 -2.255 3.734 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.068 -3.189 4.816 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.856 -1.046 4.424 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.885 -1.982 5.507 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.780 -0.908 5.321 1.00 0.00 C ATOM 0 H TRP A 59 5.888 -6.769 4.405 1.00 0.00 H new ATOM 0 HA TRP A 59 3.241 -5.873 4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.781 -6.488 2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.150 -5.848 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.317 -4.575 1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.638 -2.091 2.373 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.371 -3.999 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.548 -0.232 4.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.053 -1.874 6.187 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.641 0.015 5.864 1.00 0.00 H new ATOM 980 N ASP A 60 2.346 -8.172 5.413 1.00 0.00 N ATOM 981 CA ASP A 60 1.197 -9.073 5.556 1.00 0.00 C ATOM 982 C ASP A 60 -0.090 -8.296 5.217 1.00 0.00 C ATOM 983 O ASP A 60 -0.173 -7.105 5.523 1.00 0.00 O ATOM 984 CB ASP A 60 1.067 -9.568 7.015 1.00 0.00 C ATOM 985 CG ASP A 60 2.388 -9.724 7.782 1.00 0.00 C ATOM 986 OD1 ASP A 60 3.201 -10.571 7.366 1.00 0.00 O ATOM 987 OD2 ASP A 60 2.554 -9.003 8.797 1.00 0.00 O ATOM 0 H ASP A 60 2.679 -7.829 6.314 1.00 0.00 H new ATOM 0 HA ASP A 60 1.342 -9.923 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.431 -8.872 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.555 -10.530 7.009 1.00 0.00 H new ATOM 992 N GLU A 61 -1.148 -8.922 4.691 1.00 0.00 N ATOM 993 CA GLU A 61 -2.434 -8.232 4.459 1.00 0.00 C ATOM 994 C GLU A 61 -3.042 -7.590 5.716 1.00 0.00 C ATOM 995 O GLU A 61 -3.511 -6.455 5.661 1.00 0.00 O ATOM 996 CB GLU A 61 -3.461 -9.123 3.734 1.00 0.00 C ATOM 997 CG GLU A 61 -3.687 -10.537 4.295 1.00 0.00 C ATOM 998 CD GLU A 61 -2.799 -11.561 3.564 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.563 -11.445 3.716 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.353 -12.411 2.830 1.00 0.00 O ATOM 0 H GLU A 61 -1.145 -9.904 4.416 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.181 -7.406 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.419 -8.603 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.150 -9.218 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.464 -10.550 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.736 -10.814 4.186 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.998 -8.273 6.862 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.460 -7.737 8.146 1.00 0.00 C ATOM 1009 C ASN A 62 -2.619 -6.530 8.621 1.00 0.00 C ATOM 1010 O ASN A 62 -3.162 -5.506 9.029 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.473 -8.882 9.174 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.768 -9.680 9.134 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.813 -9.213 9.547 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -4.749 -10.909 8.671 1.00 0.00 N ATOM 0 H ASN A 62 -2.637 -9.225 6.926 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.471 -7.346 8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.632 -9.549 8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.333 -8.471 10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.605 -11.463 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.878 -11.309 8.323 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.291 -6.633 8.547 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.332 -5.591 8.933 1.00 0.00 C ATOM 1023 C ASN A 63 -0.424 -4.361 8.011 1.00 0.00 C ATOM 1024 O ASN A 63 -0.541 -3.224 8.467 1.00 0.00 O ATOM 1025 CB ASN A 63 1.028 -6.299 8.882 1.00 0.00 C ATOM 1026 CG ASN A 63 2.235 -5.576 9.439 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.333 -4.359 9.521 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.219 -6.337 9.832 1.00 0.00 N ATOM 0 H ASN A 63 -0.834 -7.477 8.203 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.524 -5.179 9.924 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.931 -7.244 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.237 -6.542 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.070 -5.918 10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.138 -7.351 9.764 1.00 0.00 H new ATOM 1035 N MET A 64 -0.494 -4.585 6.695 1.00 0.00 N ATOM 1036 CA MET A 64 -0.806 -3.545 5.715 1.00 0.00 C ATOM 1037 C MET A 64 -2.170 -2.894 5.978 1.00 0.00 C ATOM 1038 O MET A 64 -2.278 -1.680 5.856 1.00 0.00 O ATOM 1039 CB MET A 64 -0.767 -4.139 4.305 1.00 0.00 C ATOM 1040 CG MET A 64 -0.830 -3.061 3.219 1.00 0.00 C ATOM 1041 SD MET A 64 -0.966 -3.715 1.537 1.00 0.00 S ATOM 1042 CE MET A 64 0.554 -4.710 1.491 1.00 0.00 C ATOM 0 H MET A 64 -0.334 -5.502 6.278 1.00 0.00 H new ATOM 0 HA MET A 64 -0.052 -2.763 5.807 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.146 -4.721 4.183 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.603 -4.827 4.180 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.683 -2.412 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.064 -2.441 3.285 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.679 -5.138 0.496 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.410 -4.077 1.724 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.486 -5.513 2.225 1.00 0.00 H new ATOM 1052 N SER A 65 -3.207 -3.662 6.340 1.00 0.00 N ATOM 1053 CA SER A 65 -4.530 -3.118 6.685 1.00 0.00 C ATOM 1054 C SER A 65 -4.440 -2.026 7.751 1.00 0.00 C ATOM 1055 O SER A 65 -5.042 -0.969 7.578 1.00 0.00 O ATOM 1056 CB SER A 65 -5.485 -4.217 7.157 1.00 0.00 C ATOM 1057 OG SER A 65 -6.811 -3.735 7.134 1.00 0.00 O ATOM 0 H SER A 65 -3.153 -4.679 6.402 1.00 0.00 H new ATOM 0 HA SER A 65 -4.926 -2.675 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.394 -5.092 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.220 -4.534 8.166 1.00 0.00 H new ATOM 0 HG SER A 65 -7.421 -4.441 7.435 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.633 -2.227 8.800 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.381 -1.231 9.855 1.00 0.00 C ATOM 1065 C GLU A 66 -2.605 -0.002 9.345 1.00 0.00 C ATOM 1066 O GLU A 66 -2.984 1.147 9.597 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.653 -1.914 11.032 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.438 -1.023 12.271 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.701 -0.405 12.900 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.830 -0.701 12.443 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.521 0.430 13.820 1.00 0.00 O ATOM 0 H GLU A 66 -3.127 -3.101 8.944 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.343 -0.847 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.223 -2.794 11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.682 -2.266 10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.932 -1.615 13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.762 -0.213 11.996 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.557 -0.215 8.543 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.843 0.869 7.859 1.00 0.00 C ATOM 1080 C TYR A 67 -1.766 1.715 6.962 1.00 0.00 C ATOM 1081 O TYR A 67 -1.691 2.941 6.964 1.00 0.00 O ATOM 1082 CB TYR A 67 0.329 0.286 7.061 1.00 0.00 C ATOM 1083 CG TYR A 67 1.180 1.328 6.364 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.837 2.295 7.139 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.325 1.328 4.964 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.629 3.283 6.529 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.154 2.287 4.348 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.811 3.267 5.131 1.00 0.00 C ATOM 1089 OH TYR A 67 3.654 4.161 4.557 1.00 0.00 O ATOM 0 H TYR A 67 -1.180 -1.143 8.350 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.459 1.549 8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.961 -0.293 7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.061 -0.407 6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.733 2.280 8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.803 0.597 4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.096 4.051 7.128 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.288 2.274 3.276 1.00 0.00 H new ATOM 0 HH TYR A 67 3.670 4.019 3.587 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.698 1.090 6.236 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.736 1.762 5.438 1.00 0.00 C ATOM 1101 C LEU A 68 -4.876 2.361 6.290 1.00 0.00 C ATOM 1102 O LEU A 68 -5.711 3.115 5.779 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.289 0.761 4.407 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.251 0.194 3.419 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.916 -0.832 2.499 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.596 1.277 2.575 1.00 0.00 C ATOM 0 H LEU A 68 -2.755 0.073 6.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.273 2.612 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.749 -0.070 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.079 1.250 3.838 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.469 -0.278 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.177 -1.229 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.325 -1.646 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.720 -0.353 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.874 0.823 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.359 1.799 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.086 1.987 3.226 1.00 0.00 H new ATOM 1118 N THR A 69 -4.915 2.035 7.583 1.00 0.00 N ATOM 1119 CA THR A 69 -5.868 2.530 8.587 1.00 0.00 C ATOM 1120 C THR A 69 -5.394 3.824 9.259 1.00 0.00 C ATOM 1121 O THR A 69 -6.218 4.705 9.503 1.00 0.00 O ATOM 1122 CB THR A 69 -6.181 1.412 9.584 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.877 0.412 8.885 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.050 1.760 10.777 1.00 0.00 C ATOM 0 H THR A 69 -4.244 1.380 7.985 1.00 0.00 H new ATOM 0 HA THR A 69 -6.796 2.805 8.086 1.00 0.00 H new ATOM 0 HB THR A 69 -5.209 1.133 9.992 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.274 -0.338 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.189 0.874 11.397 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.567 2.541 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.020 2.115 10.429 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.087 3.999 9.500 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.454 5.295 9.806 1.00 0.00 C ATOM 1134 C ASN A 70 -1.916 5.262 9.582 1.00 0.00 C ATOM 1135 O ASN A 70 -1.166 4.943 10.516 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.801 5.729 11.248 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.434 7.183 11.511 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.352 7.665 11.207 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.320 7.947 12.109 1.00 0.00 N ATOM 0 H ASN A 70 -3.422 3.226 9.488 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.854 6.034 9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.868 5.587 11.422 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.275 5.089 11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.099 8.922 12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.229 7.565 12.371 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.395 5.622 8.390 1.00 0.00 N ATOM 1147 CA PRO A 71 0.022 5.426 8.085 1.00 0.00 C ATOM 1148 C PRO A 71 0.935 6.334 8.910 1.00 0.00 C ATOM 1149 O PRO A 71 2.035 5.926 9.271 1.00 0.00 O ATOM 1150 CB PRO A 71 0.170 5.692 6.584 1.00 0.00 C ATOM 1151 CG PRO A 71 -0.973 6.658 6.304 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.088 6.156 7.227 1.00 0.00 C ATOM 0 HA PRO A 71 0.331 4.414 8.346 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.139 6.130 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.080 4.777 5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.695 7.687 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.275 6.632 5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.764 6.964 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.691 5.390 6.739 1.00 0.00 H new ATOM 1160 N LYS A 72 0.492 7.552 9.260 1.00 0.00 N ATOM 1161 CA LYS A 72 1.284 8.497 10.074 1.00 0.00 C ATOM 1162 C LYS A 72 1.422 8.045 11.524 1.00 0.00 C ATOM 1163 O LYS A 72 2.475 8.234 12.123 1.00 0.00 O ATOM 1164 CB LYS A 72 0.710 9.926 9.997 1.00 0.00 C ATOM 1165 CG LYS A 72 1.491 10.838 9.031 1.00 0.00 C ATOM 1166 CD LYS A 72 1.495 10.379 7.566 1.00 0.00 C ATOM 1167 CE LYS A 72 0.098 10.324 6.951 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.493 11.656 6.686 1.00 0.00 N ATOM 0 H LYS A 72 -0.423 7.912 8.989 1.00 0.00 H new ATOM 0 HA LYS A 72 2.286 8.508 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.331 9.877 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.718 10.369 10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.068 11.841 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.522 10.909 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.116 11.057 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.953 9.392 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.145 9.765 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.561 9.771 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.120 11.599 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.041 11.964 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.266 12.342 6.499 1.00 0.00 H new ATOM 1182 N LYS A 73 0.389 7.417 12.094 1.00 0.00 N ATOM 1183 CA LYS A 73 0.459 6.805 13.431 1.00 0.00 C ATOM 1184 C LYS A 73 1.370 5.578 13.416 1.00 0.00 C ATOM 1185 O LYS A 73 2.061 5.325 14.405 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.962 6.480 13.936 1.00 0.00 C ATOM 1187 CG LYS A 73 -1.030 6.146 15.438 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.769 4.664 15.777 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.020 4.462 17.105 1.00 0.00 C ATOM 1190 NZ LYS A 73 1.328 5.090 17.086 1.00 0.00 N ATOM 0 H LYS A 73 -0.521 7.317 11.644 1.00 0.00 H new ATOM 0 HA LYS A 73 0.901 7.514 14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.612 7.331 13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.355 5.636 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.301 6.760 15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.014 6.424 15.815 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.722 4.136 15.822 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.192 4.211 14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.606 4.887 17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.080 3.395 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.998 4.490 17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.649 5.193 16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.281 6.027 17.534 1.00 0.00 H new ATOM 1204 N TYR A 74 1.351 4.800 12.338 1.00 0.00 N ATOM 1205 CA TYR A 74 2.193 3.615 12.167 1.00 0.00 C ATOM 1206 C TYR A 74 3.674 3.952 11.917 1.00 0.00 C ATOM 1207 O TYR A 74 4.557 3.271 12.444 1.00 0.00 O ATOM 1208 CB TYR A 74 1.623 2.770 11.025 1.00 0.00 C ATOM 1209 CG TYR A 74 1.954 1.298 11.154 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.126 0.481 11.949 1.00 0.00 C ATOM 1211 CD2 TYR A 74 3.076 0.742 10.506 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.426 -0.883 12.113 1.00 0.00 C ATOM 1213 CE2 TYR A 74 3.376 -0.624 10.666 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.549 -1.440 11.472 1.00 0.00 C ATOM 1215 OH TYR A 74 2.842 -2.750 11.669 1.00 0.00 O ATOM 0 H TYR A 74 0.739 4.977 11.542 1.00 0.00 H new ATOM 0 HA TYR A 74 2.176 3.053 13.101 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.540 2.892 10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.011 3.142 10.077 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.258 0.904 12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.705 1.364 9.887 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.794 -1.504 12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.238 -1.049 10.173 1.00 0.00 H new ATOM 0 HH TYR A 74 2.738 -3.239 10.826 1.00 0.00 H new ATOM 1225 N ILE A 75 3.949 4.987 11.120 1.00 0.00 N ATOM 1226 CA ILE A 75 5.273 5.470 10.709 1.00 0.00 C ATOM 1227 C ILE A 75 5.290 7.012 10.831 1.00 0.00 C ATOM 1228 O ILE A 75 4.925 7.712 9.882 1.00 0.00 O ATOM 1229 CB ILE A 75 5.643 4.982 9.283 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.397 3.467 9.107 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.115 5.335 9.001 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.823 2.883 7.755 1.00 0.00 C ATOM 0 H ILE A 75 3.201 5.550 10.715 1.00 0.00 H new ATOM 0 HA ILE A 75 6.038 5.056 11.366 1.00 0.00 H new ATOM 0 HB ILE A 75 4.998 5.487 8.564 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.929 2.936 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.335 3.270 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.385 4.996 8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.249 6.415 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.754 4.844 9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.607 1.815 7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.273 3.379 6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.892 3.040 7.612 1.00 0.00 H new ATOM 1244 N PRO A 76 5.669 7.567 11.998 1.00 0.00 N ATOM 1245 CA PRO A 76 5.700 9.012 12.211 1.00 0.00 C ATOM 1246 C PRO A 76 6.760 9.661 11.315 1.00 0.00 C ATOM 1247 O PRO A 76 7.955 9.460 11.511 1.00 0.00 O ATOM 1248 CB PRO A 76 5.964 9.212 13.707 1.00 0.00 C ATOM 1249 CG PRO A 76 6.715 7.945 14.110 1.00 0.00 C ATOM 1250 CD PRO A 76 6.117 6.873 13.199 1.00 0.00 C ATOM 0 HA PRO A 76 4.762 9.496 11.938 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.558 10.107 13.893 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.035 9.323 14.267 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.789 8.049 13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.565 7.707 15.163 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.858 6.111 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.286 6.365 13.688 1.00 0.00 H new ATOM 1258 N GLY A 77 6.306 10.386 10.289 1.00 0.00 N ATOM 1259 CA GLY A 77 7.160 11.054 9.300 1.00 0.00 C ATOM 1260 C GLY A 77 7.203 10.414 7.907 1.00 0.00 C ATOM 1261 O GLY A 77 7.876 10.969 7.046 1.00 0.00 O ATOM 0 H GLY A 77 5.311 10.529 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.822 12.085 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.176 11.091 9.693 1.00 0.00 H new ATOM 1265 N THR A 78 6.499 9.299 7.656 1.00 0.00 N ATOM 1266 CA THR A 78 6.424 8.648 6.326 1.00 0.00 C ATOM 1267 C THR A 78 6.080 9.611 5.180 1.00 0.00 C ATOM 1268 O THR A 78 5.215 10.482 5.312 1.00 0.00 O ATOM 1269 CB THR A 78 5.435 7.463 6.329 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.306 6.877 5.058 1.00 0.00 O ATOM 1271 CG2 THR A 78 4.003 7.819 6.718 1.00 0.00 C ATOM 0 H THR A 78 5.959 8.815 8.373 1.00 0.00 H new ATOM 0 HA THR A 78 7.432 8.279 6.137 1.00 0.00 H new ATOM 0 HB THR A 78 5.878 6.798 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.172 6.897 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.385 6.922 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.993 8.236 7.725 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.607 8.554 6.017 1.00 0.00 H new ATOM 1279 N LYS A 79 6.684 9.379 4.008 1.00 0.00 N ATOM 1280 CA LYS A 79 6.410 10.027 2.713 1.00 0.00 C ATOM 1281 C LYS A 79 4.975 9.760 2.235 1.00 0.00 C ATOM 1282 O LYS A 79 4.451 10.502 1.403 1.00 0.00 O ATOM 1283 CB LYS A 79 7.447 9.491 1.702 1.00 0.00 C ATOM 1284 CG LYS A 79 7.732 10.340 0.454 1.00 0.00 C ATOM 1285 CD LYS A 79 8.887 9.683 -0.332 1.00 0.00 C ATOM 1286 CE LYS A 79 9.307 10.499 -1.558 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.507 10.190 -2.770 1.00 0.00 N ATOM 0 H LYS A 79 7.429 8.686 3.931 1.00 0.00 H new ATOM 0 HA LYS A 79 6.497 11.109 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.389 9.347 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.114 8.508 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.840 10.408 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.999 11.357 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.746 9.559 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.583 8.686 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.212 11.561 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.360 10.311 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.262 11.075 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.062 9.584 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.635 9.695 -2.494 1.00 0.00 H new ATOM 1301 N MET A 80 4.322 8.717 2.759 1.00 0.00 N ATOM 1302 CA MET A 80 2.913 8.409 2.540 1.00 0.00 C ATOM 1303 C MET A 80 2.010 9.434 3.243 1.00 0.00 C ATOM 1304 O MET A 80 1.449 9.186 4.310 1.00 0.00 O ATOM 1305 CB MET A 80 2.636 6.952 2.950 1.00 0.00 C ATOM 1306 CG MET A 80 1.184 6.570 2.664 1.00 0.00 C ATOM 1307 SD MET A 80 0.874 4.851 2.160 1.00 0.00 S ATOM 1308 CE MET A 80 -0.895 4.760 2.508 1.00 0.00 C ATOM 0 H MET A 80 4.782 8.042 3.370 1.00 0.00 H new ATOM 0 HA MET A 80 2.673 8.492 1.480 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.305 6.284 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.848 6.822 4.011 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.596 6.773 3.559 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.808 7.227 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.268 3.771 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.067 4.938 3.570 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.420 5.516 1.924 1.00 0.00 H new ATOM 1318 N ALA A 81 1.818 10.590 2.604 1.00 0.00 N ATOM 1319 CA ALA A 81 1.023 11.711 3.116 1.00 0.00 C ATOM 1320 C ALA A 81 -0.478 11.434 3.347 1.00 0.00 C ATOM 1321 O ALA A 81 -1.178 12.248 3.948 1.00 0.00 O ATOM 1322 CB ALA A 81 1.246 12.922 2.199 1.00 0.00 C ATOM 0 H ALA A 81 2.224 10.779 1.687 1.00 0.00 H new ATOM 0 HA ALA A 81 1.384 11.907 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.662 13.767 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.304 13.186 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.931 12.674 1.186 1.00 0.00 H new ATOM 1328 N PHE A 82 -0.933 10.247 2.966 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.287 9.679 3.042 1.00 0.00 C ATOM 1330 C PHE A 82 -2.948 9.758 4.438 1.00 0.00 C ATOM 1331 O PHE A 82 -2.280 9.897 5.462 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.172 8.228 2.552 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.459 7.427 2.489 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.378 7.653 1.448 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.718 6.418 3.438 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.528 6.854 1.341 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -4.861 5.614 3.328 1.00 0.00 C ATOM 1338 CZ PHE A 82 -5.756 5.827 2.273 1.00 0.00 C ATOM 0 H PHE A 82 -0.291 9.575 2.546 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.954 10.274 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.729 8.239 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.475 7.702 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.199 8.441 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.031 6.263 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.236 7.028 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.050 4.835 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.628 5.198 2.174 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.280 9.639 4.494 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.074 9.810 5.719 1.00 0.00 C ATOM 1350 C GLY A 83 -5.220 8.546 6.576 1.00 0.00 C ATOM 1351 O GLY A 83 -4.765 8.519 7.717 1.00 0.00 O ATOM 0 H GLY A 83 -4.847 9.417 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.616 10.591 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.068 10.162 5.444 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.881 7.518 6.037 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.303 6.334 6.792 1.00 0.00 C ATOM 1357 C GLY A 84 -7.767 5.968 6.536 1.00 0.00 C ATOM 1358 O GLY A 84 -8.677 6.535 7.142 1.00 0.00 O ATOM 0 H GLY A 84 -6.142 7.484 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.668 5.490 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.158 6.515 7.857 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.024 5.023 5.631 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.384 4.611 5.264 1.00 0.00 C ATOM 1364 C LEU A 85 -9.921 3.600 6.296 1.00 0.00 C ATOM 1365 O LEU A 85 -9.992 2.387 6.075 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.402 4.102 3.808 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.364 5.210 2.740 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.044 4.625 1.361 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.696 5.955 2.617 1.00 0.00 C ATOM 0 H LEU A 85 -7.294 4.518 5.129 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.066 5.460 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.548 3.441 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.300 3.502 3.658 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.589 5.905 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.022 5.426 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.072 4.133 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.810 3.899 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.613 6.725 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.482 5.252 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.943 6.419 3.572 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.326 4.135 7.455 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.873 3.412 8.620 1.00 0.00 C ATOM 1383 C LYS A 86 -12.308 2.904 8.399 1.00 0.00 C ATOM 1384 O LYS A 86 -13.233 3.289 9.114 1.00 0.00 O ATOM 1385 CB LYS A 86 -10.788 4.291 9.886 1.00 0.00 C ATOM 1386 CG LYS A 86 -9.369 4.807 10.176 1.00 0.00 C ATOM 1387 CD LYS A 86 -9.119 5.161 11.650 1.00 0.00 C ATOM 1388 CE LYS A 86 -9.087 3.903 12.533 1.00 0.00 C ATOM 1389 NZ LYS A 86 -8.585 4.182 13.899 1.00 0.00 N ATOM 0 H LYS A 86 -10.280 5.141 7.618 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.255 2.524 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.460 5.142 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.140 3.716 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.649 4.049 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.183 5.690 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.174 5.696 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.901 5.834 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.090 3.482 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.455 3.149 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.583 3.303 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.617 4.559 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.202 4.881 14.360 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.506 2.046 7.395 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.745 1.318 7.097 1.00 0.00 C ATOM 1405 C LYS A 87 -13.403 -0.096 6.626 1.00 0.00 C ATOM 1406 O LYS A 87 -12.654 -0.241 5.663 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.541 2.079 6.017 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.052 3.478 6.421 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.096 3.464 7.555 1.00 0.00 C ATOM 1410 CE LYS A 87 -16.254 4.834 8.234 1.00 0.00 C ATOM 1411 NZ LYS A 87 -16.836 5.868 7.340 1.00 0.00 N ATOM 0 H LYS A 87 -11.765 1.827 6.730 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.360 1.246 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.910 2.184 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.397 1.470 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.203 4.087 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.488 3.960 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.059 3.149 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.806 2.725 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.888 4.725 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.279 5.173 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.917 6.767 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.220 5.998 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.779 5.564 7.025 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.954 -1.128 7.274 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.646 -2.542 6.965 1.00 0.00 C ATOM 1427 C GLU A 88 -13.833 -2.894 5.477 1.00 0.00 C ATOM 1428 O GLU A 88 -13.037 -3.623 4.908 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.494 -3.493 7.844 1.00 0.00 C ATOM 1430 CG GLU A 88 -15.945 -3.615 7.349 1.00 0.00 C ATOM 1431 CD GLU A 88 -16.883 -4.521 8.130 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -16.419 -5.362 8.918 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -18.089 -4.404 7.798 1.00 0.00 O ATOM 0 H GLU A 88 -14.629 -1.013 8.030 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.589 -2.678 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.033 -4.481 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.493 -3.130 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.379 -2.615 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.919 -3.967 6.318 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.894 -2.369 4.852 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.370 -2.749 3.516 1.00 0.00 C ATOM 1442 C LYS A 89 -14.377 -2.309 2.445 1.00 0.00 C ATOM 1443 O LYS A 89 -13.960 -3.109 1.618 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.789 -2.192 3.291 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.715 -2.416 4.504 1.00 0.00 C ATOM 1446 CD LYS A 89 -19.215 -2.350 4.178 1.00 0.00 C ATOM 1447 CE LYS A 89 -20.115 -2.363 5.430 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.069 -3.641 6.191 1.00 0.00 N ATOM 0 H LYS A 89 -15.466 -1.640 5.279 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.435 -3.835 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.727 -1.125 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.226 -2.667 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.493 -3.390 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.487 -1.667 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.415 -1.445 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.478 -3.195 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.816 -1.548 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.144 -2.168 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.003 -3.832 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.809 -4.418 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.362 -3.568 6.950 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.936 -1.060 2.591 1.00 0.00 N ATOM 1463 CA ASP A 90 -12.813 -0.455 1.861 1.00 0.00 C ATOM 1464 C ASP A 90 -11.558 -1.330 2.008 1.00 0.00 C ATOM 1465 O ASP A 90 -11.063 -1.833 1.006 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.595 0.996 2.340 1.00 0.00 C ATOM 1467 CG ASP A 90 -11.650 1.821 1.447 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -10.419 1.560 1.492 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.142 2.780 0.806 1.00 0.00 O ATOM 0 H ASP A 90 -14.368 -0.411 3.249 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.041 -0.407 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.561 1.499 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.193 0.976 3.353 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.096 -1.599 3.244 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.946 -2.490 3.525 1.00 0.00 C ATOM 1476 C ARG A 91 -10.082 -3.866 2.860 1.00 0.00 C ATOM 1477 O ARG A 91 -9.145 -4.282 2.185 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.665 -2.636 5.041 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.377 -1.350 5.849 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.949 -0.761 5.770 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.461 -0.495 4.398 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.039 0.280 3.494 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -9.083 0.991 3.762 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.649 0.355 2.251 1.00 0.00 N ATOM 0 H ARG A 91 -11.512 -1.202 4.086 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.083 -1.998 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.524 -3.131 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.812 -3.304 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.076 -0.582 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.599 -1.554 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.924 0.170 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.260 -1.450 6.258 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.593 -0.955 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.490 0.967 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.501 1.576 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.858 -0.203 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.135 0.972 1.600 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.221 -4.546 3.007 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.512 -5.860 2.424 1.00 0.00 C ATOM 1500 C ASN A 92 -11.389 -5.858 0.894 1.00 0.00 C ATOM 1501 O ASN A 92 -10.661 -6.681 0.335 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.920 -6.327 2.840 1.00 0.00 C ATOM 1503 CG ASN A 92 -13.050 -6.746 4.294 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.140 -7.221 4.953 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -14.231 -6.618 4.853 1.00 0.00 N ATOM 0 H ASN A 92 -11.999 -4.182 3.558 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.767 -6.556 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.627 -5.521 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.210 -7.166 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.373 -6.913 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.007 -6.223 4.321 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.091 -4.954 0.208 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.047 -4.844 -1.252 1.00 0.00 C ATOM 1514 C ASP A 93 -10.670 -4.411 -1.769 1.00 0.00 C ATOM 1515 O ASP A 93 -10.157 -5.012 -2.716 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.138 -3.880 -1.750 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.456 -4.578 -2.100 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.399 -5.679 -2.694 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.520 -3.959 -1.890 1.00 0.00 O ATOM 0 H ASP A 93 -12.709 -4.274 0.651 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.237 -5.840 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.326 -3.129 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.771 -3.352 -2.630 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.042 -3.394 -1.160 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.718 -2.905 -1.564 1.00 0.00 C ATOM 1526 C LEU A 94 -7.662 -4.017 -1.431 1.00 0.00 C ATOM 1527 O LEU A 94 -6.898 -4.238 -2.368 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.345 -1.627 -0.775 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.674 -0.485 -1.562 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.438 -0.921 -2.340 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.650 0.202 -2.519 1.00 0.00 C ATOM 0 H LEU A 94 -10.441 -2.886 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.748 -2.627 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.254 -1.234 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.678 -1.914 0.038 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.353 0.222 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.020 -0.064 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.695 -1.319 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.714 -1.692 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.135 1.000 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.031 -0.526 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.481 0.622 -1.952 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.673 -4.786 -0.333 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.897 -6.029 -0.185 1.00 0.00 C ATOM 1545 C ILE A 95 -7.274 -7.035 -1.281 1.00 0.00 C ATOM 1546 O ILE A 95 -6.392 -7.456 -2.023 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.045 -6.628 1.236 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.330 -5.722 2.268 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.453 -8.050 1.314 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.717 -6.013 3.724 1.00 0.00 C ATOM 0 H ILE A 95 -8.230 -4.560 0.491 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.841 -5.788 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.110 -6.684 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.252 -5.843 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.559 -4.680 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.574 -8.440 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.973 -8.700 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.393 -8.017 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.175 -5.338 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.789 -5.864 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.462 -7.044 3.969 1.00 0.00 H new ATOM 1562 N THR A 96 -8.547 -7.419 -1.411 1.00 0.00 N ATOM 1563 CA THR A 96 -8.992 -8.438 -2.387 1.00 0.00 C ATOM 1564 C THR A 96 -8.604 -8.081 -3.832 1.00 0.00 C ATOM 1565 O THR A 96 -8.319 -8.964 -4.636 1.00 0.00 O ATOM 1566 CB THR A 96 -10.504 -8.711 -2.286 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.845 -9.079 -0.967 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.950 -9.895 -3.144 1.00 0.00 C ATOM 0 H THR A 96 -9.305 -7.036 -0.845 1.00 0.00 H new ATOM 0 HA THR A 96 -8.464 -9.354 -2.123 1.00 0.00 H new ATOM 0 HB THR A 96 -10.985 -7.790 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.891 -8.277 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.025 -10.040 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.717 -9.695 -4.190 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.427 -10.795 -2.822 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.513 -6.794 -4.162 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.843 -6.310 -5.364 1.00 0.00 C ATOM 1578 C TYR A 97 -6.320 -6.481 -5.304 1.00 0.00 C ATOM 1579 O TYR A 97 -5.778 -7.255 -6.086 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.236 -4.852 -5.593 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.392 -4.120 -6.615 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.516 -4.426 -7.984 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.469 -3.145 -6.191 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.781 -3.698 -8.936 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.713 -2.434 -7.139 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.908 -2.675 -8.514 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.259 -1.918 -9.434 1.00 0.00 O ATOM 0 H TYR A 97 -8.910 -6.047 -3.591 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.170 -6.916 -6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.278 -4.817 -5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.174 -4.320 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.176 -5.220 -8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.342 -2.943 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.885 -3.922 -9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.985 -1.705 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.160 -1.004 -9.094 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.615 -5.760 -4.422 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.155 -5.601 -4.496 1.00 0.00 C ATOM 1599 C LEU A 98 -3.388 -6.898 -4.257 1.00 0.00 C ATOM 1600 O LEU A 98 -2.364 -7.148 -4.898 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.691 -4.513 -3.508 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.871 -3.403 -4.181 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.732 -2.212 -3.240 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.462 -3.868 -4.532 1.00 0.00 C ATOM 0 H LEU A 98 -6.041 -5.269 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.927 -5.297 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.563 -4.072 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.092 -4.974 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.403 -3.131 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.149 -1.430 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.721 -1.826 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.227 -2.527 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.917 -3.052 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.942 -4.172 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.518 -4.713 -5.218 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.942 -7.744 -3.392 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.558 -9.145 -3.265 1.00 0.00 C ATOM 1618 C LYS A 99 -3.654 -9.837 -4.630 1.00 0.00 C ATOM 1619 O LYS A 99 -2.618 -10.220 -5.154 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.358 -9.813 -2.133 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.691 -11.113 -1.673 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.402 -11.736 -0.459 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.755 -13.069 -0.065 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.157 -14.168 -0.973 1.00 0.00 N ATOM 0 H LYS A 99 -4.684 -7.469 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.514 -9.238 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.442 -9.127 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.371 -10.023 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.688 -11.828 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.650 -10.914 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.362 -11.046 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.455 -11.894 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.670 -12.964 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.037 -13.321 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.781 -14.827 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.663 -13.774 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.310 -14.675 -1.300 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.822 -9.872 -5.293 1.00 0.00 N ATOM 1639 CA LYS A 100 -5.004 -10.551 -6.606 1.00 0.00 C ATOM 1640 C LYS A 100 -4.239 -9.889 -7.767 1.00 0.00 C ATOM 1641 O LYS A 100 -3.967 -10.520 -8.778 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.505 -10.723 -6.930 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.907 -12.088 -7.541 1.00 0.00 C ATOM 1644 CD LYS A 100 -7.202 -12.166 -9.057 1.00 0.00 C ATOM 1645 CE LYS A 100 -6.009 -12.189 -10.028 1.00 0.00 C ATOM 1646 NZ LYS A 100 -5.028 -13.253 -9.706 1.00 0.00 N ATOM 0 H LYS A 100 -5.673 -9.433 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.555 -11.539 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.075 -10.574 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.801 -9.934 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.107 -12.796 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.794 -12.438 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.794 -13.063 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.828 -11.313 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.376 -12.335 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.509 -11.221 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.128 -13.053 -10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.872 -13.282 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.395 -14.172 -10.026 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.843 -8.627 -7.635 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.934 -7.929 -8.552 1.00 0.00 C ATOM 1662 C ALA A 101 -1.445 -8.309 -8.352 1.00 0.00 C ATOM 1663 O ALA A 101 -0.583 -7.896 -9.138 1.00 0.00 O ATOM 1664 CB ALA A 101 -3.169 -6.426 -8.385 1.00 0.00 C ATOM 0 H ALA A 101 -4.154 -8.038 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.156 -8.238 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.507 -5.878 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.205 -6.191 -8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.962 -6.138 -7.354 1.00 0.00 H new ATOM 1670 N THR A 102 -1.159 -9.090 -7.304 1.00 0.00 N ATOM 1671 CA THR A 102 0.141 -9.666 -6.935 1.00 0.00 C ATOM 1672 C THR A 102 0.133 -11.206 -7.035 1.00 0.00 C ATOM 1673 O THR A 102 1.176 -11.788 -7.321 1.00 0.00 O ATOM 1674 CB THR A 102 0.529 -9.216 -5.514 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.407 -7.812 -5.376 1.00 0.00 O ATOM 1676 CG2 THR A 102 1.972 -9.573 -5.158 1.00 0.00 C ATOM 0 H THR A 102 -1.886 -9.357 -6.640 1.00 0.00 H new ATOM 0 HA THR A 102 0.885 -9.300 -7.642 1.00 0.00 H new ATOM 0 HB THR A 102 -0.154 -9.741 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.531 -7.579 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.192 -9.233 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.104 -10.654 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.651 -9.088 -5.859 1.00 0.00 H new ATOM 1684 N GLU A 103 -1.036 -11.845 -6.873 1.00 0.00 N ATOM 1685 CA GLU A 103 -1.335 -13.287 -7.068 1.00 0.00 C ATOM 1686 C GLU A 103 -2.566 -13.512 -7.962 1.00 0.00 C ATOM 1687 O GLU A 103 -2.417 -13.604 -9.199 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.491 -14.021 -5.709 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.420 -13.306 -4.704 1.00 0.00 C ATOM 1690 CD GLU A 103 -3.262 -14.219 -3.799 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.705 -15.045 -3.034 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.473 -13.923 -3.615 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.707 -13.555 -7.447 1.00 0.00 O ATOM 0 H GLU A 103 -1.868 -11.333 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.479 -13.717 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.877 -15.024 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.506 -14.137 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.810 -12.662 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.095 -12.657 -5.262 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.055 4.335 -0.140 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.317 3.298 0.705 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.050 1.106 -0.085 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.118 5.536 -0.875 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.388 7.506 -0.944 1.00 0.00 C HETATM 1706 NA HEC A 104 1.974 2.515 0.275 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.290 2.341 0.619 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.480 0.928 0.841 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.266 0.307 0.627 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.308 1.328 0.244 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.990 -1.165 0.822 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.792 0.263 1.196 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.792 0.190 0.036 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.148 -0.415 0.432 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.970 -0.654 -0.482 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.417 -0.646 1.632 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.779 3.474 -0.403 1.00 0.00 N HETATM 1718 C1B HEC A 104 -0.988 2.128 -0.374 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.381 1.919 -0.723 1.00 0.00 C HETATM 1720 C3B HEC A 104 -2.987 3.161 -0.814 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.938 4.150 -0.689 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.033 0.583 -0.993 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.462 3.451 -1.078 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.370 2.902 0.028 1.00 0.00 C HETATM 1725 NC HEC A 104 0.257 6.236 -0.727 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.067 6.462 -0.950 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.206 7.845 -1.354 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.067 8.373 -1.452 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.993 7.350 -1.007 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.496 8.570 -1.678 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.444 9.707 -2.075 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.049 10.901 -1.255 1.00 0.00 C HETATM 1733 ND HEC A 104 3.030 5.258 -0.103 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.284 6.528 -0.493 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.709 6.715 -0.392 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.241 5.592 0.205 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.172 4.624 0.293 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.456 7.914 -0.905 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.648 5.447 0.746 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.719 5.742 2.253 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.072 6.283 2.721 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.108 7.007 3.738 1.00 0.00 O HETATM 1743 O2D HEC A 104 9.097 6.033 2.064 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.304 8.005 -1.981 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.087 8.812 -0.410 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.520 7.796 -0.697 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.993 8.074 -2.512 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.150 8.556 -0.806 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.275 9.602 -1.950 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.537 0.099 -1.835 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.947 -0.049 -0.109 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.086 0.733 -1.230 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.639 -1.747 0.168 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.183 -1.437 1.860 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.948 -1.375 0.579 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 5.943 6.464 2.508 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.496 4.827 2.802 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -1.136 10.864 -1.176 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.389 10.863 -0.257 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.248 11.827 -1.746 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.246 1.821 0.098 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.101 3.360 0.980 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.409 3.134 -0.206 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.359 -0.404 -0.769 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.952 1.193 -0.359 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 7.006 4.435 0.557 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.313 6.125 0.212 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.250 0.806 2.023 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.590 -0.747 1.551 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.804 8.459 -1.270 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.137 5.911 -0.966 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.400 0.074 -0.119 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.278 2.988 1.115 1.00 0.00 H new HETATM 0 H2A HEC A 104 7.381 0.190 2.142 1.00 0.00 H new