USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 38 GLN : amide:sc= 0.279 K(o=1.7,f=0.3) USER MOD Set 1.2: B 39 GLN : amide:sc= 1.46 K(o=1.7,f=0.3) USER MOD Set 2.1: B 2 SER OG : rot -77:sc= 1.16 USER MOD Set 2.2: B 3 HIS : no HD1:sc= 0.929 K(o=2.1,f=-4.7!) USER MOD Set 3.1: A 44 THR OG1 : rot 36:sc= 2.34 USER MOD Set 3.2: B 8 GLN : amide:sc= 0.571 K(o=6.5,f=4.6) USER MOD Set 3.3: B 29 SER OG : rot -177:sc= 2.05 USER MOD Set 3.4: B 30 SER OG : rot 89:sc= 1.57 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.305 K(o=1.8,f=0.27) USER MOD Set 4.2: A 39 GLN : amide:sc= 1.52 K(o=1.8,f=0.27) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.645 K(o=6.7,f=4.6) USER MOD Set 5.2: A 29 SER OG : rot -180:sc= 1.82 USER MOD Set 5.3: A 30 SER OG : rot 88:sc= 1.66 USER MOD Set 5.4: B 44 THR OG1 : rot 24:sc= 2.56 USER MOD Set 6.1: A 3 HIS : no HD1:sc= -0.0722 K(o=2.1,f=-3.8!) USER MOD Set 6.2: B 18 LYS NZ :NH3+ -132:sc= 1.27 (180deg=0.651) USER MOD Set 6.3: B 56 GLN : amide:sc= 0.91 K(o=2.1,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 155:sc= 1.66 (180deg=0.941) USER MOD Single : A 2 SER OG : rot 180:sc= 0.112 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.585 K(o=-0.58,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.14) USER MOD Single : A 14 CYS SG : rot 144:sc= 1.38 USER MOD Single : A 16 CYS SG : rot -168:sc= -2.09! USER MOD Single : A 17 CYS SG : rot -142:sc= 0.277 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.163 (180deg=-0.435) USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 36 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 43 SER OG : rot -160:sc= 0.978 USER MOD Single : A 46 SER OG : rot -0:sc= 1.18 USER MOD Single : A 54 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 55 ASN : amide:sc= 1.18 K(o=1.2,f=-0.019) USER MOD Single : A 56 GLN : amide:sc= 0.968 K(o=0.97,f=-7.8!) USER MOD Single : B 1 GLY N :NH3+ -154:sc= 1.97 (180deg=0.361) USER MOD Single : B 4 MET CE :methyl -178:sc= 0 (180deg=-0.0107) USER MOD Single : B 10 HIS : no HE2:sc= -0.465 K(o=-0.46,f=-2.4) USER MOD Single : B 11 LYS NZ :NH3+ 146:sc= 1.21 (180deg=1.14) USER MOD Single : B 14 CYS SG : rot 143:sc= 0.653 USER MOD Single : B 16 CYS SG : rot -161:sc= 1.12 USER MOD Single : B 17 CYS SG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 57:sc= 0.166 USER MOD Single : B 36 THR OG1 : rot 91:sc= 1.3 USER MOD Single : B 43 SER OG : rot -147:sc= 0.947 USER MOD Single : B 46 SER OG : rot -1:sc= 1.02 USER MOD Single : B 54 THR OG1 : rot 95:sc= 1.3 USER MOD Single : B 55 ASN : amide:sc= 0.851 K(o=0.85,f=-0.0004) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.502 9.871 5.475 1.00 0.00 N ATOM 2 CA GLY A 1 -20.944 10.165 5.536 1.00 0.00 C ATOM 3 C GLY A 1 -21.650 9.140 4.675 1.00 0.00 C ATOM 4 O GLY A 1 -21.688 7.974 5.053 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.962 10.738 5.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.265 9.146 6.182 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.259 9.521 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.303 10.116 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.146 11.174 5.176 1.00 0.00 H new ATOM 8 N SER A 2 -22.063 9.540 3.467 1.00 0.00 N ATOM 9 CA SER A 2 -21.916 8.645 2.321 1.00 0.00 C ATOM 10 C SER A 2 -20.411 8.480 2.016 1.00 0.00 C ATOM 11 O SER A 2 -19.568 9.059 2.716 1.00 0.00 O ATOM 12 CB SER A 2 -22.713 9.194 1.129 1.00 0.00 C ATOM 13 OG SER A 2 -22.786 8.228 0.099 1.00 0.00 O ATOM 0 H SER A 2 -22.487 10.445 3.263 1.00 0.00 H new ATOM 0 HA SER A 2 -22.322 7.657 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.718 9.469 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.239 10.101 0.753 1.00 0.00 H new ATOM 0 HG SER A 2 -23.298 8.591 -0.654 1.00 0.00 H new ATOM 19 N HIS A 3 -20.088 7.693 0.981 1.00 0.00 N ATOM 20 CA HIS A 3 -18.737 7.273 0.597 1.00 0.00 C ATOM 21 C HIS A 3 -17.902 6.847 1.817 1.00 0.00 C ATOM 22 O HIS A 3 -16.779 7.314 2.021 1.00 0.00 O ATOM 23 CB HIS A 3 -18.061 8.355 -0.262 1.00 0.00 C ATOM 24 CG HIS A 3 -18.631 8.477 -1.652 1.00 0.00 C ATOM 25 ND1 HIS A 3 -19.099 9.630 -2.242 1.00 0.00 N ATOM 26 CD2 HIS A 3 -18.653 7.485 -2.596 1.00 0.00 C ATOM 27 CE1 HIS A 3 -19.392 9.337 -3.522 1.00 0.00 C ATOM 28 NE2 HIS A 3 -19.109 8.052 -3.790 1.00 0.00 N ATOM 0 H HIS A 3 -20.800 7.313 0.358 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.813 6.381 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.153 9.316 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.996 8.134 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -18.370 6.454 -2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -19.799 10.038 -4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -19.208 7.581 -4.689 1.00 0.00 H new ATOM 36 N MET A 4 -18.481 5.992 2.665 1.00 0.00 N ATOM 37 CA MET A 4 -17.885 5.550 3.912 1.00 0.00 C ATOM 38 C MET A 4 -18.430 4.162 4.254 1.00 0.00 C ATOM 39 O MET A 4 -19.588 3.871 3.956 1.00 0.00 O ATOM 40 CB MET A 4 -18.262 6.590 4.980 1.00 0.00 C ATOM 41 CG MET A 4 -17.656 6.349 6.362 1.00 0.00 C ATOM 42 SD MET A 4 -18.031 7.693 7.520 1.00 0.00 S ATOM 43 CE MET A 4 -17.252 7.026 9.014 1.00 0.00 C ATOM 0 H MET A 4 -19.399 5.583 2.492 1.00 0.00 H new ATOM 0 HA MET A 4 -16.800 5.471 3.849 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.952 7.575 4.631 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.348 6.613 5.075 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.035 5.409 6.764 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.575 6.243 6.269 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.385 7.727 9.838 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.714 6.073 9.271 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.188 6.876 8.833 1.00 0.00 H new ATOM 53 N ALA A 5 -17.611 3.359 4.948 1.00 0.00 N ATOM 54 CA ALA A 5 -17.956 2.083 5.577 1.00 0.00 C ATOM 55 C ALA A 5 -18.352 0.955 4.623 1.00 0.00 C ATOM 56 O ALA A 5 -19.071 0.031 5.004 1.00 0.00 O ATOM 57 CB ALA A 5 -19.004 2.312 6.671 1.00 0.00 C ATOM 0 H ALA A 5 -16.631 3.601 5.092 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.032 1.712 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.258 1.360 7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.601 2.988 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.899 2.751 6.231 1.00 0.00 H new ATOM 63 N GLU A 6 -17.872 1.024 3.390 1.00 0.00 N ATOM 64 CA GLU A 6 -18.194 0.047 2.356 1.00 0.00 C ATOM 65 C GLU A 6 -17.188 -1.116 2.391 1.00 0.00 C ATOM 66 O GLU A 6 -16.082 -0.947 2.912 1.00 0.00 O ATOM 67 CB GLU A 6 -18.213 0.734 0.979 1.00 0.00 C ATOM 68 CG GLU A 6 -18.892 2.114 1.007 1.00 0.00 C ATOM 69 CD GLU A 6 -17.860 3.242 1.027 1.00 0.00 C ATOM 70 OE1 GLU A 6 -16.909 3.200 1.846 1.00 0.00 O ATOM 71 OE2 GLU A 6 -17.982 4.162 0.189 1.00 0.00 O ATOM 0 H GLU A 6 -17.244 1.764 3.075 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.185 -0.367 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.190 0.846 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.733 0.094 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.535 2.223 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.532 2.189 1.886 1.00 0.00 H new ATOM 78 N PRO A 7 -17.523 -2.286 1.812 1.00 0.00 N ATOM 79 CA PRO A 7 -16.548 -3.346 1.595 1.00 0.00 C ATOM 80 C PRO A 7 -15.509 -2.913 0.551 1.00 0.00 C ATOM 81 O PRO A 7 -15.652 -1.891 -0.125 1.00 0.00 O ATOM 82 CB PRO A 7 -17.365 -4.567 1.161 1.00 0.00 C ATOM 83 CG PRO A 7 -18.559 -3.941 0.447 1.00 0.00 C ATOM 84 CD PRO A 7 -18.815 -2.670 1.256 1.00 0.00 C ATOM 0 HA PRO A 7 -15.970 -3.580 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.796 -5.220 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.675 -5.170 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -18.334 -3.717 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.425 -4.603 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -19.219 -1.879 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.543 -2.850 2.047 1.00 0.00 H new ATOM 92 N GLN A 8 -14.450 -3.716 0.420 1.00 0.00 N ATOM 93 CA GLN A 8 -13.209 -3.496 -0.258 1.00 0.00 C ATOM 94 C GLN A 8 -12.486 -2.256 0.263 1.00 0.00 C ATOM 95 O GLN A 8 -11.372 -2.432 0.738 1.00 0.00 O ATOM 96 CB GLN A 8 -13.396 -3.601 -1.768 1.00 0.00 C ATOM 97 CG GLN A 8 -13.381 -5.045 -2.316 1.00 0.00 C ATOM 98 CD GLN A 8 -14.561 -5.908 -1.860 1.00 0.00 C ATOM 99 OE1 GLN A 8 -15.702 -5.465 -1.836 1.00 0.00 O ATOM 100 NE2 GLN A 8 -14.338 -7.166 -1.493 1.00 0.00 N ATOM 0 H GLN A 8 -14.464 -4.643 0.845 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.508 -4.296 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.343 -3.133 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.608 -3.031 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.374 -5.007 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.453 -5.528 -2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.390 -7.542 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.115 -7.755 -1.194 1.00 0.00 H new ATOM 109 N ARG A 9 -13.052 -1.043 0.194 1.00 0.00 N ATOM 110 CA ARG A 9 -12.423 0.215 0.604 1.00 0.00 C ATOM 111 C ARG A 9 -12.022 0.195 2.085 1.00 0.00 C ATOM 112 O ARG A 9 -12.750 0.685 2.949 1.00 0.00 O ATOM 113 CB ARG A 9 -13.350 1.395 0.265 1.00 0.00 C ATOM 114 CG ARG A 9 -12.641 2.743 0.446 1.00 0.00 C ATOM 115 CD ARG A 9 -13.341 3.656 1.459 1.00 0.00 C ATOM 116 NE ARG A 9 -14.575 4.241 0.909 1.00 0.00 N ATOM 117 CZ ARG A 9 -14.669 5.214 -0.007 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.607 5.934 -0.378 1.00 0.00 N ATOM 119 NH2 ARG A 9 -15.826 5.466 -0.597 1.00 0.00 N ATOM 0 H ARG A 9 -13.998 -0.909 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.496 0.341 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.697 1.301 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.233 1.359 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.616 2.567 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.587 3.251 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.578 3.087 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.662 4.455 1.758 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.454 3.865 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.695 5.749 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.708 6.669 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.652 4.918 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.892 6.208 -1.294 1.00 0.00 H new ATOM 133 N HIS A 10 -10.842 -0.344 2.382 1.00 0.00 N ATOM 134 CA HIS A 10 -10.396 -0.646 3.732 1.00 0.00 C ATOM 135 C HIS A 10 -9.109 0.121 4.022 1.00 0.00 C ATOM 136 O HIS A 10 -8.491 0.686 3.119 1.00 0.00 O ATOM 137 CB HIS A 10 -10.222 -2.163 3.897 1.00 0.00 C ATOM 138 CG HIS A 10 -11.473 -3.004 3.744 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.496 -4.331 3.385 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.777 -2.605 3.878 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.777 -4.725 3.338 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.597 -3.710 3.632 1.00 0.00 N ATOM 0 H HIS A 10 -10.155 -0.588 1.669 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.144 -0.327 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.489 -2.505 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.801 -2.353 4.884 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.682 -4.913 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.113 -1.610 4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.102 -5.726 3.096 1.00 0.00 H new ATOM 150 N LYS A 11 -8.731 0.188 5.301 1.00 0.00 N ATOM 151 CA LYS A 11 -7.741 1.133 5.796 1.00 0.00 C ATOM 152 C LYS A 11 -6.806 0.428 6.766 1.00 0.00 C ATOM 153 O LYS A 11 -7.137 0.254 7.938 1.00 0.00 O ATOM 154 CB LYS A 11 -8.425 2.356 6.431 1.00 0.00 C ATOM 155 CG LYS A 11 -9.077 3.291 5.394 1.00 0.00 C ATOM 156 CD LYS A 11 -10.604 3.157 5.264 1.00 0.00 C ATOM 157 CE LYS A 11 -11.373 3.659 6.497 1.00 0.00 C ATOM 158 NZ LYS A 11 -11.184 5.107 6.743 1.00 0.00 N ATOM 0 H LYS A 11 -9.111 -0.421 6.026 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.144 1.505 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.186 2.015 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.689 2.918 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.839 4.322 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.627 3.098 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.936 3.714 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.855 2.111 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.435 3.454 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.047 3.101 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.028 5.492 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.353 5.250 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.038 5.597 5.837 1.00 0.00 H new ATOM 172 N ILE A 12 -5.644 0.008 6.266 1.00 0.00 N ATOM 173 CA ILE A 12 -4.584 -0.548 7.090 1.00 0.00 C ATOM 174 C ILE A 12 -3.811 0.645 7.644 1.00 0.00 C ATOM 175 O ILE A 12 -2.952 1.207 6.975 1.00 0.00 O ATOM 176 CB ILE A 12 -3.683 -1.513 6.290 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.507 -2.650 5.655 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.581 -2.058 7.223 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.686 -3.508 4.692 1.00 0.00 C ATOM 0 H ILE A 12 -5.416 0.046 5.273 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.989 -1.154 7.901 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.215 -0.973 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.912 -3.284 6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.356 -2.223 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.939 -2.741 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.985 -1.229 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.040 -2.589 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.317 -4.293 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.302 -2.884 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.852 -3.960 5.228 1.00 0.00 H new ATOM 191 N LEU A 13 -4.122 1.071 8.861 1.00 0.00 N ATOM 192 CA LEU A 13 -3.306 2.040 9.557 1.00 0.00 C ATOM 193 C LEU A 13 -1.943 1.416 9.819 1.00 0.00 C ATOM 194 O LEU A 13 -1.824 0.461 10.586 1.00 0.00 O ATOM 195 CB LEU A 13 -3.989 2.542 10.829 1.00 0.00 C ATOM 196 CG LEU A 13 -3.247 3.775 11.390 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.273 4.699 12.039 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.159 3.427 12.416 1.00 0.00 C ATOM 0 H LEU A 13 -4.939 0.755 9.384 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.169 2.928 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.026 2.801 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.006 1.749 11.577 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.738 4.255 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.768 5.577 12.442 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.005 5.011 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.780 4.170 12.846 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.682 4.343 12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.609 2.907 13.262 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.412 2.784 11.951 1.00 0.00 H new ATOM 210 N CYS A 14 -0.929 1.971 9.165 1.00 0.00 N ATOM 211 CA CYS A 14 0.468 1.671 9.393 1.00 0.00 C ATOM 212 C CYS A 14 1.194 2.973 9.750 1.00 0.00 C ATOM 213 O CYS A 14 0.574 4.022 9.962 1.00 0.00 O ATOM 214 CB CYS A 14 1.034 1.001 8.132 1.00 0.00 C ATOM 215 SG CYS A 14 2.476 -0.021 8.542 1.00 0.00 S ATOM 0 H CYS A 14 -1.070 2.669 8.434 1.00 0.00 H new ATOM 0 HA CYS A 14 0.606 0.979 10.224 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.266 0.384 7.666 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.316 1.762 7.405 1.00 0.00 H new ATOM 0 HG CYS A 14 2.475 -1.089 7.801 1.00 0.00 H new ATOM 221 N VAL A 15 2.523 2.912 9.782 1.00 0.00 N ATOM 222 CA VAL A 15 3.381 4.081 9.801 1.00 0.00 C ATOM 223 C VAL A 15 4.295 4.021 8.582 1.00 0.00 C ATOM 224 O VAL A 15 4.552 2.943 8.041 1.00 0.00 O ATOM 225 CB VAL A 15 4.169 4.191 11.121 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.228 4.530 12.284 1.00 0.00 C ATOM 227 CG2 VAL A 15 4.974 2.922 11.442 1.00 0.00 C ATOM 0 H VAL A 15 3.037 2.031 9.796 1.00 0.00 H new ATOM 0 HA VAL A 15 2.775 4.985 9.750 1.00 0.00 H new ATOM 0 HB VAL A 15 4.888 5.000 10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.803 4.603 13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.734 5.482 12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.477 3.746 12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.508 3.058 12.382 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.296 2.073 11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.690 2.733 10.642 1.00 0.00 H new ATOM 237 N CYS A 16 4.793 5.182 8.154 1.00 0.00 N ATOM 238 CA CYS A 16 5.818 5.241 7.135 1.00 0.00 C ATOM 239 C CYS A 16 7.097 4.633 7.705 1.00 0.00 C ATOM 240 O CYS A 16 7.596 5.118 8.719 1.00 0.00 O ATOM 241 CB CYS A 16 6.087 6.682 6.695 1.00 0.00 C ATOM 242 SG CYS A 16 7.151 6.545 5.240 1.00 0.00 S ATOM 0 H CYS A 16 4.495 6.092 8.505 1.00 0.00 H new ATOM 0 HA CYS A 16 5.480 4.685 6.260 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.158 7.200 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.575 7.251 7.487 1.00 0.00 H new ATOM 0 HG CYS A 16 7.641 7.713 4.949 1.00 0.00 H new ATOM 247 N CYS A 17 7.658 3.638 7.016 1.00 0.00 N ATOM 248 CA CYS A 17 8.850 2.890 7.430 1.00 0.00 C ATOM 249 C CYS A 17 10.008 3.806 7.861 1.00 0.00 C ATOM 250 O CYS A 17 10.742 3.472 8.787 1.00 0.00 O ATOM 251 CB CYS A 17 9.284 2.009 6.252 1.00 0.00 C ATOM 252 SG CYS A 17 10.603 0.844 6.659 1.00 0.00 S ATOM 0 H CYS A 17 7.283 3.318 6.123 1.00 0.00 H new ATOM 0 HA CYS A 17 8.597 2.288 8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.420 1.453 5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.617 2.649 5.435 1.00 0.00 H new ATOM 0 HG CYS A 17 11.423 0.749 5.655 1.00 0.00 H new ATOM 258 N LYS A 18 10.170 4.964 7.202 1.00 0.00 N ATOM 259 CA LYS A 18 11.295 5.870 7.400 1.00 0.00 C ATOM 260 C LYS A 18 10.914 7.238 7.973 1.00 0.00 C ATOM 261 O LYS A 18 11.813 7.966 8.383 1.00 0.00 O ATOM 262 CB LYS A 18 12.078 5.989 6.088 1.00 0.00 C ATOM 263 CG LYS A 18 11.236 6.447 4.884 1.00 0.00 C ATOM 264 CD LYS A 18 12.111 6.733 3.652 1.00 0.00 C ATOM 265 CE LYS A 18 12.970 5.542 3.185 1.00 0.00 C ATOM 266 NZ LYS A 18 12.157 4.331 2.954 1.00 0.00 N ATOM 0 H LYS A 18 9.505 5.297 6.504 1.00 0.00 H new ATOM 0 HA LYS A 18 11.931 5.434 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.898 6.693 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.525 5.022 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.503 5.678 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.679 7.345 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.467 7.044 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.769 7.573 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.492 5.809 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.733 5.329 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.671 3.683 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.973 3.858 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.254 4.598 2.513 1.00 0.00 H new ATOM 280 N CYS A 19 9.625 7.594 8.033 1.00 0.00 N ATOM 281 CA CYS A 19 9.168 8.812 8.688 1.00 0.00 C ATOM 282 C CYS A 19 8.543 8.538 10.059 1.00 0.00 C ATOM 283 O CYS A 19 8.323 9.488 10.805 1.00 0.00 O ATOM 284 CB CYS A 19 8.176 9.558 7.814 1.00 0.00 C ATOM 285 SG CYS A 19 8.400 9.544 6.015 1.00 0.00 S ATOM 0 H CYS A 19 8.872 7.039 7.625 1.00 0.00 H new ATOM 0 HA CYS A 19 10.052 9.431 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.185 9.156 8.025 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.172 10.599 8.136 1.00 0.00 H new ATOM 290 N ASP A 20 8.204 7.273 10.358 1.00 0.00 N ATOM 291 CA ASP A 20 7.393 6.834 11.498 1.00 0.00 C ATOM 292 C ASP A 20 6.084 7.635 11.632 1.00 0.00 C ATOM 293 O ASP A 20 5.542 7.824 12.719 1.00 0.00 O ATOM 294 CB ASP A 20 8.253 6.790 12.768 1.00 0.00 C ATOM 295 CG ASP A 20 7.568 6.045 13.921 1.00 0.00 C ATOM 296 OD1 ASP A 20 6.910 5.017 13.635 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.767 6.471 15.081 1.00 0.00 O ATOM 0 H ASP A 20 8.506 6.490 9.778 1.00 0.00 H new ATOM 0 HA ASP A 20 7.053 5.814 11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.203 6.306 12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.481 7.808 13.083 1.00 0.00 H new ATOM 302 N GLY A 21 5.562 8.127 10.500 1.00 0.00 N ATOM 303 CA GLY A 21 4.360 8.950 10.474 1.00 0.00 C ATOM 304 C GLY A 21 3.162 8.085 10.138 1.00 0.00 C ATOM 305 O GLY A 21 3.266 7.182 9.315 1.00 0.00 O ATOM 0 H GLY A 21 5.967 7.961 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.215 9.431 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.467 9.745 9.736 1.00 0.00 H new ATOM 309 N ARG A 22 2.028 8.395 10.759 1.00 0.00 N ATOM 310 CA ARG A 22 0.767 7.662 10.687 1.00 0.00 C ATOM 311 C ARG A 22 0.259 7.676 9.251 1.00 0.00 C ATOM 312 O ARG A 22 -0.086 8.749 8.755 1.00 0.00 O ATOM 313 CB ARG A 22 -0.212 8.324 11.677 1.00 0.00 C ATOM 314 CG ARG A 22 -1.622 7.716 11.764 1.00 0.00 C ATOM 315 CD ARG A 22 -2.652 8.363 10.820 1.00 0.00 C ATOM 316 NE ARG A 22 -4.024 8.038 11.248 1.00 0.00 N ATOM 317 CZ ARG A 22 -5.134 8.101 10.500 1.00 0.00 C ATOM 318 NH1 ARG A 22 -5.159 8.703 9.315 1.00 0.00 N ATOM 319 NH2 ARG A 22 -6.259 7.522 10.906 1.00 0.00 N ATOM 0 H ARG A 22 1.960 9.214 11.363 1.00 0.00 H new ATOM 0 HA ARG A 22 0.884 6.615 10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.235 8.291 12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.311 9.375 11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.560 6.651 11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.981 7.805 12.789 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.515 9.444 10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.490 8.012 9.801 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.141 7.733 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.313 9.138 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.024 8.730 8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.284 7.023 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.098 7.576 10.328 1.00 0.00 H new ATOM 333 N ILE A 23 0.171 6.508 8.603 1.00 0.00 N ATOM 334 CA ILE A 23 -0.447 6.393 7.289 1.00 0.00 C ATOM 335 C ILE A 23 -1.645 5.453 7.403 1.00 0.00 C ATOM 336 O ILE A 23 -1.499 4.277 7.721 1.00 0.00 O ATOM 337 CB ILE A 23 0.504 5.903 6.172 1.00 0.00 C ATOM 338 CG1 ILE A 23 1.925 6.500 6.161 1.00 0.00 C ATOM 339 CG2 ILE A 23 -0.216 6.254 4.852 1.00 0.00 C ATOM 340 CD1 ILE A 23 2.826 5.833 5.106 1.00 0.00 C ATOM 0 H ILE A 23 0.525 5.627 8.976 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.747 7.397 6.989 1.00 0.00 H new ATOM 0 HB ILE A 23 0.686 4.840 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.866 7.570 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.374 6.383 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.397 5.937 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.178 5.742 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.376 7.331 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.817 6.286 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.908 4.767 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.392 5.973 4.116 1.00 0.00 H new ATOM 352 N GLU A 24 -2.833 5.967 7.101 1.00 0.00 N ATOM 353 CA GLU A 24 -4.046 5.181 6.962 1.00 0.00 C ATOM 354 C GLU A 24 -4.099 4.610 5.539 1.00 0.00 C ATOM 355 O GLU A 24 -4.646 5.229 4.620 1.00 0.00 O ATOM 356 CB GLU A 24 -5.201 6.091 7.365 1.00 0.00 C ATOM 357 CG GLU A 24 -6.568 5.417 7.338 1.00 0.00 C ATOM 358 CD GLU A 24 -7.691 6.318 7.878 1.00 0.00 C ATOM 359 OE1 GLU A 24 -7.387 7.363 8.511 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.865 5.926 7.695 1.00 0.00 O ATOM 0 H GLU A 24 -2.978 6.964 6.943 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.095 4.306 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.016 6.471 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.220 6.952 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.804 5.126 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.528 4.502 7.929 1.00 0.00 H new ATOM 367 N LEU A 25 -3.450 3.452 5.347 1.00 0.00 N ATOM 368 CA LEU A 25 -3.221 2.858 4.036 1.00 0.00 C ATOM 369 C LEU A 25 -4.547 2.390 3.471 1.00 0.00 C ATOM 370 O LEU A 25 -5.051 1.321 3.823 1.00 0.00 O ATOM 371 CB LEU A 25 -2.241 1.680 4.063 1.00 0.00 C ATOM 372 CG LEU A 25 -0.902 1.956 4.754 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.114 0.653 4.834 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.099 2.969 3.938 1.00 0.00 C ATOM 0 H LEU A 25 -3.067 2.899 6.114 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.770 3.628 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.723 0.840 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.044 1.369 3.037 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.082 2.354 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.842 0.836 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.681 -0.081 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.061 0.271 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.853 3.162 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.085 2.569 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.662 3.899 3.857 1.00 0.00 H new ATOM 386 N THR A 26 -5.127 3.227 2.623 1.00 0.00 N ATOM 387 CA THR A 26 -6.416 2.960 2.037 1.00 0.00 C ATOM 388 C THR A 26 -6.154 2.032 0.842 1.00 0.00 C ATOM 389 O THR A 26 -5.546 2.439 -0.150 1.00 0.00 O ATOM 390 CB THR A 26 -7.130 4.289 1.758 1.00 0.00 C ATOM 391 OG1 THR A 26 -7.029 5.134 2.898 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.633 4.091 1.506 1.00 0.00 C ATOM 0 H THR A 26 -4.710 4.109 2.327 1.00 0.00 H new ATOM 0 HA THR A 26 -7.119 2.436 2.685 1.00 0.00 H new ATOM 0 HB THR A 26 -6.655 4.720 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.814 5.719 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.100 5.057 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.775 3.440 0.643 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.092 3.635 2.383 1.00 0.00 H new ATOM 400 N VAL A 27 -6.539 0.759 0.974 1.00 0.00 N ATOM 401 CA VAL A 27 -6.431 -0.261 -0.071 1.00 0.00 C ATOM 402 C VAL A 27 -7.855 -0.812 -0.219 1.00 0.00 C ATOM 403 O VAL A 27 -8.475 -1.245 0.756 1.00 0.00 O ATOM 404 CB VAL A 27 -5.314 -1.320 0.242 1.00 0.00 C ATOM 405 CG1 VAL A 27 -4.020 -0.628 0.701 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.704 -2.324 1.341 1.00 0.00 C ATOM 0 H VAL A 27 -6.947 0.400 1.837 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.090 0.134 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.173 -1.862 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.260 -1.380 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.664 0.036 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.217 -0.049 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.884 -3.024 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.911 -1.788 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.594 -2.873 1.033 1.00 0.00 H new ATOM 416 N GLU A 28 -8.430 -0.700 -1.416 1.00 0.00 N ATOM 417 CA GLU A 28 -9.707 -1.330 -1.725 1.00 0.00 C ATOM 418 C GLU A 28 -9.424 -2.812 -1.977 1.00 0.00 C ATOM 419 O GLU A 28 -9.010 -3.173 -3.075 1.00 0.00 O ATOM 420 CB GLU A 28 -10.449 -0.617 -2.876 1.00 0.00 C ATOM 421 CG GLU A 28 -10.379 0.913 -2.737 1.00 0.00 C ATOM 422 CD GLU A 28 -11.457 1.680 -3.502 1.00 0.00 C ATOM 423 OE1 GLU A 28 -11.217 2.027 -4.677 1.00 0.00 O ATOM 424 OE2 GLU A 28 -12.476 2.053 -2.875 1.00 0.00 O ATOM 0 H GLU A 28 -8.026 -0.174 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.402 -1.241 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.014 -0.916 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.492 -0.934 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.451 1.171 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.401 1.250 -3.081 1.00 0.00 H new ATOM 431 N SER A 29 -9.579 -3.664 -0.954 1.00 0.00 N ATOM 432 CA SER A 29 -9.552 -5.112 -1.119 1.00 0.00 C ATOM 433 C SER A 29 -10.337 -5.794 -0.012 1.00 0.00 C ATOM 434 O SER A 29 -10.505 -5.251 1.075 1.00 0.00 O ATOM 435 CB SER A 29 -8.131 -5.671 -1.087 1.00 0.00 C ATOM 436 OG SER A 29 -8.132 -6.848 -1.874 1.00 0.00 O ATOM 0 H SER A 29 -9.726 -3.362 0.009 1.00 0.00 H new ATOM 0 HA SER A 29 -9.998 -5.313 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.421 -4.944 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.826 -5.891 -0.064 1.00 0.00 H new ATOM 0 HG SER A 29 -7.234 -7.240 -1.878 1.00 0.00 H new ATOM 442 N SER A 30 -10.774 -7.020 -0.284 1.00 0.00 N ATOM 443 CA SER A 30 -11.539 -7.863 0.620 1.00 0.00 C ATOM 444 C SER A 30 -10.804 -8.023 1.956 1.00 0.00 C ATOM 445 O SER A 30 -9.575 -8.027 1.990 1.00 0.00 O ATOM 446 CB SER A 30 -11.742 -9.217 -0.072 1.00 0.00 C ATOM 447 OG SER A 30 -12.131 -9.014 -1.423 1.00 0.00 O ATOM 0 H SER A 30 -10.595 -7.470 -1.182 1.00 0.00 H new ATOM 0 HA SER A 30 -12.506 -7.412 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.820 -9.797 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.504 -9.793 0.453 1.00 0.00 H new ATOM 0 HG SER A 30 -11.332 -8.939 -1.986 1.00 0.00 H new ATOM 453 N ALA A 31 -11.538 -8.177 3.064 1.00 0.00 N ATOM 454 CA ALA A 31 -10.943 -8.147 4.400 1.00 0.00 C ATOM 455 C ALA A 31 -9.815 -9.173 4.556 1.00 0.00 C ATOM 456 O ALA A 31 -8.752 -8.854 5.080 1.00 0.00 O ATOM 457 CB ALA A 31 -12.035 -8.368 5.452 1.00 0.00 C ATOM 0 H ALA A 31 -12.547 -8.324 3.059 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.492 -7.166 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.591 -8.346 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.783 -7.580 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.508 -9.336 5.287 1.00 0.00 H new ATOM 463 N GLU A 32 -10.014 -10.397 4.068 1.00 0.00 N ATOM 464 CA GLU A 32 -9.037 -11.463 4.240 1.00 0.00 C ATOM 465 C GLU A 32 -7.903 -11.399 3.208 1.00 0.00 C ATOM 466 O GLU A 32 -6.807 -11.919 3.434 1.00 0.00 O ATOM 467 CB GLU A 32 -9.757 -12.801 4.165 1.00 0.00 C ATOM 468 CG GLU A 32 -10.703 -13.007 5.370 1.00 0.00 C ATOM 469 CD GLU A 32 -10.290 -14.183 6.255 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.763 -15.311 6.000 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.513 -13.929 7.208 1.00 0.00 O ATOM 0 H GLU A 32 -10.848 -10.672 3.549 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.566 -11.340 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.329 -12.855 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.025 -13.608 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.723 -12.097 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.717 -13.171 5.006 1.00 0.00 H new ATOM 478 N ASP A 33 -8.138 -10.717 2.089 1.00 0.00 N ATOM 479 CA ASP A 33 -7.115 -10.348 1.133 1.00 0.00 C ATOM 480 C ASP A 33 -6.191 -9.317 1.801 1.00 0.00 C ATOM 481 O ASP A 33 -4.978 -9.508 1.857 1.00 0.00 O ATOM 482 CB ASP A 33 -7.827 -9.853 -0.133 1.00 0.00 C ATOM 483 CG ASP A 33 -6.883 -9.548 -1.279 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.418 -8.382 -1.318 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.745 -10.431 -2.156 1.00 0.00 O ATOM 0 H ASP A 33 -9.071 -10.401 1.822 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.476 -11.177 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.544 -10.608 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.396 -8.955 0.107 1.00 0.00 H new ATOM 490 N LEU A 34 -6.790 -8.314 2.461 1.00 0.00 N ATOM 491 CA LEU A 34 -6.122 -7.302 3.294 1.00 0.00 C ATOM 492 C LEU A 34 -5.336 -7.941 4.438 1.00 0.00 C ATOM 493 O LEU A 34 -4.264 -7.486 4.816 1.00 0.00 O ATOM 494 CB LEU A 34 -7.155 -6.259 3.784 1.00 0.00 C ATOM 495 CG LEU A 34 -6.874 -5.539 5.132 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.542 -4.160 5.093 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.449 -6.256 6.364 1.00 0.00 C ATOM 0 H LEU A 34 -7.801 -8.180 2.427 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.384 -6.777 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.254 -5.497 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.121 -6.757 3.865 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.789 -5.506 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.356 -3.639 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.130 -3.579 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.616 -4.280 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.208 -5.687 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.532 -6.337 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.016 -7.254 6.439 1.00 0.00 H new ATOM 509 N ARG A 35 -5.892 -9.009 4.984 1.00 0.00 N ATOM 510 CA ARG A 35 -5.381 -9.800 6.100 1.00 0.00 C ATOM 511 C ARG A 35 -4.201 -10.626 5.636 1.00 0.00 C ATOM 512 O ARG A 35 -3.195 -10.676 6.327 1.00 0.00 O ATOM 513 CB ARG A 35 -6.461 -10.724 6.664 1.00 0.00 C ATOM 514 CG ARG A 35 -6.108 -11.326 8.027 1.00 0.00 C ATOM 515 CD ARG A 35 -7.221 -12.291 8.438 1.00 0.00 C ATOM 516 NE ARG A 35 -7.006 -12.839 9.782 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.705 -13.842 10.332 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.682 -14.463 9.671 1.00 0.00 N ATOM 519 NH2 ARG A 35 -7.409 -14.229 11.574 1.00 0.00 N ATOM 0 H ARG A 35 -6.778 -9.376 4.636 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.070 -9.116 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.393 -10.166 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.641 -11.533 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.154 -11.850 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.997 -10.538 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.180 -11.773 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.277 -13.108 7.718 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.264 -12.423 10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.915 -14.178 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.196 -15.223 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.662 -13.763 12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.930 -14.990 12.009 1.00 0.00 H new ATOM 533 N THR A 36 -4.302 -11.258 4.474 1.00 0.00 N ATOM 534 CA THR A 36 -3.174 -11.946 3.859 1.00 0.00 C ATOM 535 C THR A 36 -2.026 -10.938 3.686 1.00 0.00 C ATOM 536 O THR A 36 -0.900 -11.184 4.116 1.00 0.00 O ATOM 537 CB THR A 36 -3.624 -12.610 2.546 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.773 -13.409 2.770 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.523 -13.524 1.996 1.00 0.00 C ATOM 0 H THR A 36 -5.165 -11.308 3.933 1.00 0.00 H new ATOM 0 HA THR A 36 -2.803 -12.754 4.490 1.00 0.00 H new ATOM 0 HB THR A 36 -3.842 -11.815 1.833 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.579 -12.871 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.862 -13.984 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.625 -12.937 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.298 -14.302 2.725 1.00 0.00 H new ATOM 547 N LEU A 37 -2.342 -9.748 3.173 1.00 0.00 N ATOM 548 CA LEU A 37 -1.449 -8.597 3.090 1.00 0.00 C ATOM 549 C LEU A 37 -0.929 -8.153 4.477 1.00 0.00 C ATOM 550 O LEU A 37 0.249 -7.837 4.624 1.00 0.00 O ATOM 551 CB LEU A 37 -2.186 -7.533 2.248 1.00 0.00 C ATOM 552 CG LEU A 37 -2.058 -6.061 2.635 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.637 -5.527 2.380 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.002 -5.250 1.739 1.00 0.00 C ATOM 0 H LEU A 37 -3.267 -9.554 2.789 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.513 -8.830 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.843 -7.633 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.247 -7.784 2.256 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.294 -5.968 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.586 -4.477 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.078 -6.100 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.396 -5.625 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.929 -4.193 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.722 -5.390 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.027 -5.590 1.888 1.00 0.00 H new ATOM 566 N GLN A 38 -1.738 -8.211 5.536 1.00 0.00 N ATOM 567 CA GLN A 38 -1.295 -7.956 6.904 1.00 0.00 C ATOM 568 C GLN A 38 -0.269 -9.017 7.333 1.00 0.00 C ATOM 569 O GLN A 38 0.682 -8.697 8.047 1.00 0.00 O ATOM 570 CB GLN A 38 -2.525 -7.886 7.814 1.00 0.00 C ATOM 571 CG GLN A 38 -2.291 -7.817 9.325 1.00 0.00 C ATOM 572 CD GLN A 38 -3.613 -8.177 9.998 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.824 -9.322 10.392 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.555 -7.240 10.025 1.00 0.00 N ATOM 0 H GLN A 38 -2.730 -8.439 5.465 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.781 -6.997 6.978 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.106 -7.011 7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.143 -8.761 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.504 -8.509 9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.967 -6.819 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.348 -6.299 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.485 -7.462 10.380 1.00 0.00 H new ATOM 583 N GLN A 39 -0.400 -10.263 6.863 1.00 0.00 N ATOM 584 CA GLN A 39 0.614 -11.274 7.102 1.00 0.00 C ATOM 585 C GLN A 39 1.877 -10.964 6.284 1.00 0.00 C ATOM 586 O GLN A 39 2.975 -11.246 6.751 1.00 0.00 O ATOM 587 CB GLN A 39 0.109 -12.701 6.872 1.00 0.00 C ATOM 588 CG GLN A 39 -1.279 -13.016 7.453 1.00 0.00 C ATOM 589 CD GLN A 39 -1.607 -12.404 8.824 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.075 -12.816 9.847 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.519 -11.435 8.853 1.00 0.00 N ATOM 0 H GLN A 39 -1.199 -10.586 6.317 1.00 0.00 H new ATOM 0 HA GLN A 39 0.872 -11.232 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.085 -12.890 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.830 -13.396 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.031 -12.678 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.378 -14.099 7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.946 -11.111 7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.791 -11.017 9.743 1.00 0.00 H new ATOM 600 N LEU A 40 1.754 -10.322 5.111 1.00 0.00 N ATOM 601 CA LEU A 40 2.903 -9.790 4.371 1.00 0.00 C ATOM 602 C LEU A 40 3.611 -8.651 5.135 1.00 0.00 C ATOM 603 O LEU A 40 4.838 -8.560 5.080 1.00 0.00 O ATOM 604 CB LEU A 40 2.529 -9.370 2.937 1.00 0.00 C ATOM 605 CG LEU A 40 1.917 -10.493 2.075 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.490 -9.932 0.716 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.873 -11.670 1.846 1.00 0.00 C ATOM 0 H LEU A 40 0.857 -10.159 4.653 1.00 0.00 H new ATOM 0 HA LEU A 40 3.619 -10.607 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.821 -8.543 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.422 -8.994 2.438 1.00 0.00 H new ATOM 0 HG LEU A 40 1.058 -10.872 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.059 -10.730 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.748 -9.147 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.359 -9.519 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.381 -12.425 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.770 -11.317 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.149 -12.106 2.806 1.00 0.00 H new ATOM 619 N PHE A 41 2.887 -7.828 5.915 1.00 0.00 N ATOM 620 CA PHE A 41 3.524 -6.896 6.863 1.00 0.00 C ATOM 621 C PHE A 41 4.300 -7.673 7.925 1.00 0.00 C ATOM 622 O PHE A 41 5.460 -7.366 8.189 1.00 0.00 O ATOM 623 CB PHE A 41 2.526 -5.935 7.532 1.00 0.00 C ATOM 624 CG PHE A 41 2.102 -4.736 6.706 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.814 -3.525 6.803 1.00 0.00 C ATOM 626 CD2 PHE A 41 0.961 -4.803 5.889 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.403 -2.404 6.061 1.00 0.00 C ATOM 628 CE2 PHE A 41 0.537 -3.679 5.165 1.00 0.00 C ATOM 629 CZ PHE A 41 1.275 -2.490 5.231 1.00 0.00 C ATOM 0 H PHE A 41 1.868 -7.789 5.908 1.00 0.00 H new ATOM 0 HA PHE A 41 4.209 -6.279 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.633 -6.500 7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.967 -5.574 8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.677 -3.457 7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.406 -5.727 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.955 -1.478 6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.355 -3.730 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.975 -1.637 4.641 1.00 0.00 H new ATOM 639 N LEU A 42 3.667 -8.685 8.523 1.00 0.00 N ATOM 640 CA LEU A 42 4.294 -9.528 9.540 1.00 0.00 C ATOM 641 C LEU A 42 5.482 -10.340 8.991 1.00 0.00 C ATOM 642 O LEU A 42 6.370 -10.697 9.760 1.00 0.00 O ATOM 643 CB LEU A 42 3.218 -10.438 10.153 1.00 0.00 C ATOM 644 CG LEU A 42 2.247 -9.690 11.091 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.996 -10.537 11.346 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.905 -9.352 12.438 1.00 0.00 C ATOM 0 H LEU A 42 2.702 -8.942 8.314 1.00 0.00 H new ATOM 0 HA LEU A 42 4.717 -8.886 10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.648 -10.907 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.704 -11.240 10.709 1.00 0.00 H new ATOM 0 HG LEU A 42 1.973 -8.759 10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.320 -9.997 12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.493 -10.737 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.284 -11.480 11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.190 -8.826 13.070 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.217 -10.272 12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.775 -8.718 12.269 1.00 0.00 H new ATOM 658 N SER A 43 5.503 -10.607 7.682 1.00 0.00 N ATOM 659 CA SER A 43 6.613 -11.134 6.901 1.00 0.00 C ATOM 660 C SER A 43 7.726 -10.082 6.814 1.00 0.00 C ATOM 661 O SER A 43 8.670 -10.152 7.602 1.00 0.00 O ATOM 662 CB SER A 43 6.053 -11.591 5.544 1.00 0.00 C ATOM 663 OG SER A 43 6.976 -11.694 4.484 1.00 0.00 O ATOM 0 H SER A 43 4.680 -10.446 7.102 1.00 0.00 H new ATOM 0 HA SER A 43 7.077 -12.003 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.581 -12.564 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.269 -10.895 5.247 1.00 0.00 H new ATOM 0 HG SER A 43 6.496 -11.674 3.630 1.00 0.00 H new ATOM 669 N THR A 44 7.643 -9.124 5.875 1.00 0.00 N ATOM 670 CA THR A 44 8.666 -8.102 5.665 1.00 0.00 C ATOM 671 C THR A 44 8.145 -6.700 5.366 1.00 0.00 C ATOM 672 O THR A 44 8.924 -5.749 5.406 1.00 0.00 O ATOM 673 CB THR A 44 9.736 -8.517 4.623 1.00 0.00 C ATOM 674 OG1 THR A 44 9.315 -8.711 3.274 1.00 0.00 O ATOM 675 CG2 THR A 44 10.395 -9.826 5.038 1.00 0.00 C ATOM 0 H THR A 44 6.852 -9.042 5.236 1.00 0.00 H new ATOM 0 HA THR A 44 9.141 -8.037 6.644 1.00 0.00 H new ATOM 0 HB THR A 44 10.395 -7.649 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.620 -8.057 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.144 -10.107 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.873 -9.701 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.639 -10.609 5.104 1.00 0.00 H new ATOM 683 N LEU A 45 6.866 -6.574 5.020 1.00 0.00 N ATOM 684 CA LEU A 45 6.361 -5.359 4.387 1.00 0.00 C ATOM 685 C LEU A 45 6.261 -4.185 5.356 1.00 0.00 C ATOM 686 O LEU A 45 5.909 -4.316 6.528 1.00 0.00 O ATOM 687 CB LEU A 45 5.027 -5.639 3.662 1.00 0.00 C ATOM 688 CG LEU A 45 4.654 -4.602 2.581 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.128 -5.312 1.328 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.580 -3.623 3.060 1.00 0.00 C ATOM 0 H LEU A 45 6.162 -7.297 5.167 1.00 0.00 H new ATOM 0 HA LEU A 45 7.091 -5.054 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.080 -6.624 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.227 -5.677 4.402 1.00 0.00 H new ATOM 0 HG LEU A 45 5.563 -4.042 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.868 -4.571 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.898 -5.976 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.243 -5.895 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.353 -2.914 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.677 -4.174 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.944 -3.083 3.934 1.00 0.00 H new ATOM 702 N SER A 46 6.530 -2.989 4.844 1.00 0.00 N ATOM 703 CA SER A 46 6.089 -1.731 5.419 1.00 0.00 C ATOM 704 C SER A 46 5.850 -0.764 4.260 1.00 0.00 C ATOM 705 O SER A 46 6.259 -1.031 3.126 1.00 0.00 O ATOM 706 CB SER A 46 7.104 -1.236 6.449 1.00 0.00 C ATOM 707 OG SER A 46 7.094 -2.132 7.543 1.00 0.00 O ATOM 0 H SER A 46 7.078 -2.869 3.992 1.00 0.00 H new ATOM 0 HA SER A 46 5.155 -1.835 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.100 -1.185 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.850 -0.229 6.780 1.00 0.00 H new ATOM 0 HG SER A 46 6.439 -2.842 7.378 1.00 0.00 H new ATOM 713 N PHE A 47 5.150 0.342 4.518 1.00 0.00 N ATOM 714 CA PHE A 47 4.729 1.268 3.487 1.00 0.00 C ATOM 715 C PHE A 47 5.528 2.545 3.642 1.00 0.00 C ATOM 716 O PHE A 47 5.938 2.920 4.744 1.00 0.00 O ATOM 717 CB PHE A 47 3.226 1.539 3.572 1.00 0.00 C ATOM 718 CG PHE A 47 2.652 2.050 2.261 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.679 3.425 1.951 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.115 1.141 1.331 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.197 3.881 0.712 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.632 1.598 0.091 1.00 0.00 C ATOM 723 CZ PHE A 47 1.679 2.967 -0.222 1.00 0.00 C ATOM 0 H PHE A 47 4.862 0.615 5.458 1.00 0.00 H new ATOM 0 HA PHE A 47 4.915 0.837 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.710 0.622 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.036 2.270 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.072 4.131 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.073 0.089 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.225 4.935 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.225 0.896 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.318 3.316 -1.178 1.00 0.00 H new ATOM 733 N VAL A 48 5.738 3.197 2.508 1.00 0.00 N ATOM 734 CA VAL A 48 6.602 4.332 2.333 1.00 0.00 C ATOM 735 C VAL A 48 5.880 5.318 1.415 1.00 0.00 C ATOM 736 O VAL A 48 5.693 5.079 0.225 1.00 0.00 O ATOM 737 CB VAL A 48 8.004 3.775 1.974 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.997 4.539 1.105 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.709 3.557 3.313 1.00 0.00 C ATOM 0 H VAL A 48 5.278 2.923 1.640 1.00 0.00 H new ATOM 0 HA VAL A 48 6.810 4.951 3.206 1.00 0.00 H new ATOM 0 HB VAL A 48 7.757 2.925 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.908 3.952 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.558 4.721 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.236 5.492 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.710 3.163 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.781 4.506 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.139 2.847 3.913 1.00 0.00 H new ATOM 749 N CYS A 49 5.344 6.378 2.038 1.00 0.00 N ATOM 750 CA CYS A 49 4.460 7.363 1.420 1.00 0.00 C ATOM 751 C CYS A 49 5.151 7.990 0.202 1.00 0.00 C ATOM 752 O CYS A 49 6.354 8.247 0.270 1.00 0.00 O ATOM 753 CB CYS A 49 4.071 8.416 2.474 1.00 0.00 C ATOM 754 SG CYS A 49 5.403 9.071 3.533 1.00 0.00 S ATOM 0 H CYS A 49 5.524 6.575 3.022 1.00 0.00 H new ATOM 0 HA CYS A 49 3.547 6.887 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.608 9.256 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.309 7.981 3.121 1.00 0.00 H new ATOM 759 N PRO A 50 4.429 8.286 -0.901 1.00 0.00 N ATOM 760 CA PRO A 50 5.073 8.652 -2.164 1.00 0.00 C ATOM 761 C PRO A 50 5.965 9.901 -2.057 1.00 0.00 C ATOM 762 O PRO A 50 6.968 9.999 -2.768 1.00 0.00 O ATOM 763 CB PRO A 50 3.943 8.806 -3.189 1.00 0.00 C ATOM 764 CG PRO A 50 2.685 8.992 -2.341 1.00 0.00 C ATOM 765 CD PRO A 50 2.985 8.174 -1.087 1.00 0.00 C ATOM 0 HA PRO A 50 5.773 7.876 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.112 9.662 -3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.865 7.927 -3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.510 10.042 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.795 8.629 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.444 8.562 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.682 7.134 -1.212 1.00 0.00 H new ATOM 773 N TRP A 51 5.649 10.812 -1.127 1.00 0.00 N ATOM 774 CA TRP A 51 6.478 11.952 -0.763 1.00 0.00 C ATOM 775 C TRP A 51 7.871 11.487 -0.324 1.00 0.00 C ATOM 776 O TRP A 51 8.857 11.806 -0.996 1.00 0.00 O ATOM 777 CB TRP A 51 5.776 12.773 0.331 1.00 0.00 C ATOM 778 CG TRP A 51 6.648 13.781 1.016 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.127 14.917 0.461 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.206 13.730 2.367 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.958 15.557 1.359 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.051 14.865 2.548 1.00 0.00 C ATOM 783 CE3 TRP A 51 7.093 12.834 3.453 1.00 0.00 C ATOM 784 CZ2 TRP A 51 8.760 15.091 3.738 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.792 13.055 4.655 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.628 14.177 4.797 1.00 0.00 C ATOM 0 H TRP A 51 4.780 10.768 -0.595 1.00 0.00 H new ATOM 0 HA TRP A 51 6.614 12.595 -1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.925 13.291 -0.112 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.378 12.089 1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.895 15.270 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.443 16.433 1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.459 11.964 3.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.399 15.956 3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.686 12.358 5.473 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.168 14.336 5.719 1.00 0.00 H new ATOM 797 N CYS A 52 7.970 10.738 0.784 1.00 0.00 N ATOM 798 CA CYS A 52 9.267 10.286 1.275 1.00 0.00 C ATOM 799 C CYS A 52 9.899 9.313 0.296 1.00 0.00 C ATOM 800 O CYS A 52 11.120 9.267 0.199 1.00 0.00 O ATOM 801 CB CYS A 52 9.163 9.620 2.646 1.00 0.00 C ATOM 802 SG CYS A 52 8.495 7.942 2.703 1.00 0.00 S ATOM 0 H CYS A 52 7.174 10.439 1.347 1.00 0.00 H new ATOM 0 HA CYS A 52 9.893 11.173 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.159 9.602 3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.543 10.252 3.282 1.00 0.00 H new ATOM 807 N ALA A 53 9.079 8.548 -0.431 1.00 0.00 N ATOM 808 CA ALA A 53 9.578 7.557 -1.352 1.00 0.00 C ATOM 809 C ALA A 53 10.360 8.208 -2.493 1.00 0.00 C ATOM 810 O ALA A 53 11.357 7.645 -2.956 1.00 0.00 O ATOM 811 CB ALA A 53 8.416 6.767 -1.944 1.00 0.00 C ATOM 0 H ALA A 53 8.062 8.607 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 53 10.243 6.894 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.800 6.020 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.869 6.270 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.747 7.445 -2.474 1.00 0.00 H new ATOM 817 N THR A 54 9.870 9.371 -2.940 1.00 0.00 N ATOM 818 CA THR A 54 10.464 10.200 -3.977 1.00 0.00 C ATOM 819 C THR A 54 11.680 10.954 -3.427 1.00 0.00 C ATOM 820 O THR A 54 12.717 10.977 -4.084 1.00 0.00 O ATOM 821 CB THR A 54 9.395 11.171 -4.519 1.00 0.00 C ATOM 822 OG1 THR A 54 8.240 10.460 -4.918 1.00 0.00 O ATOM 823 CG2 THR A 54 9.889 11.964 -5.733 1.00 0.00 C ATOM 0 H THR A 54 9.009 9.771 -2.567 1.00 0.00 H new ATOM 0 HA THR A 54 10.815 9.573 -4.797 1.00 0.00 H new ATOM 0 HB THR A 54 9.172 11.862 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.782 10.109 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.100 12.633 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.765 12.550 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.155 11.275 -6.534 1.00 0.00 H new ATOM 831 N ASN A 55 11.555 11.580 -2.246 1.00 0.00 N ATOM 832 CA ASN A 55 12.621 12.401 -1.658 1.00 0.00 C ATOM 833 C ASN A 55 13.810 11.539 -1.231 1.00 0.00 C ATOM 834 O ASN A 55 14.938 11.831 -1.617 1.00 0.00 O ATOM 835 CB ASN A 55 12.100 13.215 -0.461 1.00 0.00 C ATOM 836 CG ASN A 55 11.313 14.439 -0.907 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.839 15.542 -0.976 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.042 14.277 -1.238 1.00 0.00 N ATOM 0 H ASN A 55 10.712 11.530 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 55 12.957 13.096 -2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.466 12.582 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.940 13.529 0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.492 15.075 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.613 13.354 -1.177 1.00 0.00 H new ATOM 845 N GLN A 56 13.518 10.479 -0.469 1.00 0.00 N ATOM 846 CA GLN A 56 14.438 9.487 0.078 1.00 0.00 C ATOM 847 C GLN A 56 15.696 10.134 0.679 1.00 0.00 C ATOM 848 O GLN A 56 15.502 10.912 1.637 1.00 0.00 O ATOM 849 CB GLN A 56 14.677 8.423 -1.005 1.00 0.00 C ATOM 850 CG GLN A 56 15.480 7.200 -0.528 1.00 0.00 C ATOM 851 CD GLN A 56 16.687 6.962 -1.432 1.00 0.00 C ATOM 852 OE1 GLN A 56 16.685 6.045 -2.253 1.00 0.00 O ATOM 853 NE2 GLN A 56 17.695 7.811 -1.329 1.00 0.00 N ATOM 0 H GLN A 56 12.554 10.281 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 56 14.008 8.976 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.713 8.084 -1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.203 8.884 -1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.813 7.355 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.841 6.317 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.663 8.559 -0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.505 7.718 -1.942 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 21.527 0.296 5.322 1.00 0.00 N ATOM 864 CA GLY B 1 20.790 1.301 6.106 1.00 0.00 C ATOM 865 C GLY B 1 21.663 2.538 6.183 1.00 0.00 C ATOM 866 O GLY B 1 22.755 2.456 6.737 1.00 0.00 O ATOM 0 H1 GLY B 1 20.853 -0.358 4.875 1.00 0.00 H new ATOM 0 H2 GLY B 1 22.087 0.772 4.587 1.00 0.00 H new ATOM 0 H3 GLY B 1 22.162 -0.237 5.950 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.835 1.533 5.634 1.00 0.00 H new ATOM 0 HA3 GLY B 1 20.569 0.924 7.104 1.00 0.00 H new ATOM 870 N SER B 2 21.243 3.621 5.514 1.00 0.00 N ATOM 871 CA SER B 2 22.111 4.402 4.622 1.00 0.00 C ATOM 872 C SER B 2 22.605 3.517 3.464 1.00 0.00 C ATOM 873 O SER B 2 22.637 2.289 3.582 1.00 0.00 O ATOM 874 CB SER B 2 23.264 5.086 5.379 1.00 0.00 C ATOM 875 OG SER B 2 23.977 5.965 4.527 1.00 0.00 O ATOM 0 H SER B 2 20.290 3.980 5.576 1.00 0.00 H new ATOM 0 HA SER B 2 21.523 5.215 4.197 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.868 5.640 6.230 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.941 4.331 5.778 1.00 0.00 H new ATOM 0 HG SER B 2 24.563 5.446 3.938 1.00 0.00 H new ATOM 881 N HIS B 3 22.951 4.146 2.329 1.00 0.00 N ATOM 882 CA HIS B 3 23.387 3.492 1.085 1.00 0.00 C ATOM 883 C HIS B 3 22.422 2.372 0.627 1.00 0.00 C ATOM 884 O HIS B 3 22.802 1.462 -0.109 1.00 0.00 O ATOM 885 CB HIS B 3 24.843 3.011 1.243 1.00 0.00 C ATOM 886 CG HIS B 3 25.856 4.111 1.484 1.00 0.00 C ATOM 887 ND1 HIS B 3 25.853 5.042 2.507 1.00 0.00 N ATOM 888 CD2 HIS B 3 26.975 4.339 0.728 1.00 0.00 C ATOM 889 CE1 HIS B 3 26.945 5.811 2.354 1.00 0.00 C ATOM 890 NE2 HIS B 3 27.657 5.422 1.286 1.00 0.00 N ATOM 0 H HIS B 3 22.934 5.163 2.250 1.00 0.00 H new ATOM 0 HA HIS B 3 23.356 4.224 0.278 1.00 0.00 H new ATOM 0 HB2 HIS B 3 24.889 2.306 2.073 1.00 0.00 H new ATOM 0 HB3 HIS B 3 25.129 2.464 0.345 1.00 0.00 H new ATOM 0 HD2 HIS B 3 27.277 3.780 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS B 3 27.213 6.631 3.003 1.00 0.00 H new ATOM 0 HE2 HIS B 3 28.526 5.836 0.948 1.00 0.00 H new ATOM 898 N MET B 4 21.166 2.432 1.084 1.00 0.00 N ATOM 899 CA MET B 4 20.239 1.311 1.152 1.00 0.00 C ATOM 900 C MET B 4 19.520 1.040 -0.171 1.00 0.00 C ATOM 901 O MET B 4 18.291 1.049 -0.249 1.00 0.00 O ATOM 902 CB MET B 4 19.305 1.486 2.363 1.00 0.00 C ATOM 903 CG MET B 4 18.493 2.787 2.413 1.00 0.00 C ATOM 904 SD MET B 4 17.832 3.155 4.064 1.00 0.00 S ATOM 905 CE MET B 4 16.673 1.772 4.271 1.00 0.00 C ATOM 0 H MET B 4 20.757 3.300 1.429 1.00 0.00 H new ATOM 0 HA MET B 4 20.809 0.396 1.314 1.00 0.00 H new ATOM 0 HB2 MET B 4 18.609 0.647 2.382 1.00 0.00 H new ATOM 0 HB3 MET B 4 19.906 1.423 3.270 1.00 0.00 H new ATOM 0 HG2 MET B 4 19.124 3.614 2.089 1.00 0.00 H new ATOM 0 HG3 MET B 4 17.667 2.720 1.705 1.00 0.00 H new ATOM 0 HE1 MET B 4 16.156 1.871 5.225 1.00 0.00 H new ATOM 0 HE2 MET B 4 15.944 1.783 3.460 1.00 0.00 H new ATOM 0 HE3 MET B 4 17.222 0.831 4.252 1.00 0.00 H new ATOM 915 N ALA B 5 20.298 0.697 -1.201 1.00 0.00 N ATOM 916 CA ALA B 5 19.859 0.040 -2.424 1.00 0.00 C ATOM 917 C ALA B 5 19.445 -1.423 -2.145 1.00 0.00 C ATOM 918 O ALA B 5 19.869 -2.347 -2.838 1.00 0.00 O ATOM 919 CB ALA B 5 20.983 0.146 -3.465 1.00 0.00 C ATOM 0 H ALA B 5 21.301 0.882 -1.199 1.00 0.00 H new ATOM 0 HA ALA B 5 18.972 0.534 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.671 -0.342 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.197 1.196 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.880 -0.341 -3.083 1.00 0.00 H new ATOM 925 N GLU B 6 18.679 -1.642 -1.074 1.00 0.00 N ATOM 926 CA GLU B 6 18.394 -2.949 -0.497 1.00 0.00 C ATOM 927 C GLU B 6 17.145 -3.561 -1.156 1.00 0.00 C ATOM 928 O GLU B 6 16.243 -2.816 -1.551 1.00 0.00 O ATOM 929 CB GLU B 6 18.217 -2.777 1.023 1.00 0.00 C ATOM 930 CG GLU B 6 19.578 -2.543 1.709 1.00 0.00 C ATOM 931 CD GLU B 6 19.489 -1.924 3.111 1.00 0.00 C ATOM 932 OE1 GLU B 6 18.443 -2.048 3.780 1.00 0.00 O ATOM 933 OE2 GLU B 6 20.486 -1.276 3.506 1.00 0.00 O ATOM 0 H GLU B 6 18.225 -0.881 -0.568 1.00 0.00 H new ATOM 0 HA GLU B 6 19.218 -3.638 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.554 -1.935 1.224 1.00 0.00 H new ATOM 0 HB3 GLU B 6 17.742 -3.664 1.441 1.00 0.00 H new ATOM 0 HG2 GLU B 6 20.103 -3.496 1.779 1.00 0.00 H new ATOM 0 HG3 GLU B 6 20.182 -1.892 1.076 1.00 0.00 H new ATOM 940 N PRO B 7 17.051 -4.905 -1.251 1.00 0.00 N ATOM 941 CA PRO B 7 16.015 -5.633 -1.995 1.00 0.00 C ATOM 942 C PRO B 7 14.662 -5.668 -1.258 1.00 0.00 C ATOM 943 O PRO B 7 13.984 -6.698 -1.215 1.00 0.00 O ATOM 944 CB PRO B 7 16.619 -7.026 -2.225 1.00 0.00 C ATOM 945 CG PRO B 7 17.436 -7.247 -0.956 1.00 0.00 C ATOM 946 CD PRO B 7 18.008 -5.855 -0.693 1.00 0.00 C ATOM 0 HA PRO B 7 15.766 -5.144 -2.937 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.848 -7.787 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.242 -7.055 -3.119 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.817 -7.596 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.221 -7.989 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO B 7 18.145 -5.687 0.375 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.986 -5.742 -1.161 1.00 0.00 H new ATOM 954 N GLN B 8 14.265 -4.529 -0.687 1.00 0.00 N ATOM 955 CA GLN B 8 12.997 -4.309 -0.015 1.00 0.00 C ATOM 956 C GLN B 8 12.310 -3.069 -0.593 1.00 0.00 C ATOM 957 O GLN B 8 11.148 -3.175 -0.957 1.00 0.00 O ATOM 958 CB GLN B 8 13.179 -4.219 1.513 1.00 0.00 C ATOM 959 CG GLN B 8 13.105 -5.574 2.248 1.00 0.00 C ATOM 960 CD GLN B 8 14.228 -6.559 1.908 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.389 -6.183 1.791 1.00 0.00 O ATOM 962 NE2 GLN B 8 13.926 -7.847 1.773 1.00 0.00 N ATOM 0 H GLN B 8 14.855 -3.697 -0.685 1.00 0.00 H new ATOM 0 HA GLN B 8 12.348 -5.166 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.144 -3.758 1.725 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.413 -3.558 1.919 1.00 0.00 H new ATOM 0 HG2 GLN B 8 13.118 -5.389 3.322 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.149 -6.043 2.017 1.00 0.00 H new ATOM 0 HE21 GLN B 8 12.959 -8.157 1.871 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.661 -8.525 1.572 1.00 0.00 H new ATOM 971 N ARG B 9 12.966 -1.898 -0.671 1.00 0.00 N ATOM 972 CA ARG B 9 12.356 -0.644 -1.144 1.00 0.00 C ATOM 973 C ARG B 9 11.868 -0.795 -2.590 1.00 0.00 C ATOM 974 O ARG B 9 12.628 -0.540 -3.525 1.00 0.00 O ATOM 975 CB ARG B 9 13.343 0.527 -0.961 1.00 0.00 C ATOM 976 CG ARG B 9 12.787 1.923 -1.210 1.00 0.00 C ATOM 977 CD ARG B 9 12.616 2.352 -2.678 1.00 0.00 C ATOM 978 NE ARG B 9 12.573 3.821 -2.834 1.00 0.00 N ATOM 979 CZ ARG B 9 13.647 4.625 -2.903 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.875 4.121 -2.785 1.00 0.00 N ATOM 981 NH2 ARG B 9 13.514 5.939 -3.084 1.00 0.00 N ATOM 0 H ARG B 9 13.945 -1.795 -0.404 1.00 0.00 H new ATOM 0 HA ARG B 9 11.476 -0.416 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.733 0.490 0.056 1.00 0.00 H new ATOM 0 HB3 ARG B 9 14.188 0.370 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.816 1.994 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG B 9 13.444 2.642 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.439 1.950 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG B 9 11.698 1.920 -3.075 1.00 0.00 H new ATOM 0 HE ARG B 9 11.654 4.260 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG B 9 15.004 3.119 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG B 9 15.686 4.737 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG B 9 12.585 6.350 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG B 9 14.341 6.533 -3.134 1.00 0.00 H new ATOM 995 N HIS B 10 10.608 -1.193 -2.787 1.00 0.00 N ATOM 996 CA HIS B 10 10.069 -1.572 -4.084 1.00 0.00 C ATOM 997 C HIS B 10 8.827 -0.740 -4.383 1.00 0.00 C ATOM 998 O HIS B 10 8.266 -0.109 -3.492 1.00 0.00 O ATOM 999 CB HIS B 10 9.769 -3.075 -4.103 1.00 0.00 C ATOM 1000 CG HIS B 10 10.968 -3.985 -3.964 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.962 -5.265 -3.466 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.266 -3.687 -4.270 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.219 -5.731 -3.520 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.055 -4.805 -4.007 1.00 0.00 N ATOM 0 H HIS B 10 9.926 -1.260 -2.031 1.00 0.00 H new ATOM 0 HA HIS B 10 10.802 -1.372 -4.866 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.072 -3.298 -3.296 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.261 -3.314 -5.038 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.148 -5.771 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.621 -2.742 -4.652 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.517 -6.722 -3.211 1.00 0.00 H new ATOM 1012 N LYS B 11 8.423 -0.700 -5.655 1.00 0.00 N ATOM 1013 CA LYS B 11 7.528 0.321 -6.182 1.00 0.00 C ATOM 1014 C LYS B 11 6.522 -0.341 -7.109 1.00 0.00 C ATOM 1015 O LYS B 11 6.826 -0.587 -8.276 1.00 0.00 O ATOM 1016 CB LYS B 11 8.318 1.424 -6.910 1.00 0.00 C ATOM 1017 CG LYS B 11 9.209 2.282 -5.990 1.00 0.00 C ATOM 1018 CD LYS B 11 10.713 1.974 -6.094 1.00 0.00 C ATOM 1019 CE LYS B 11 11.333 2.321 -7.458 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.312 3.772 -7.753 1.00 0.00 N ATOM 0 H LYS B 11 8.714 -1.385 -6.352 1.00 0.00 H new ATOM 0 HA LYS B 11 6.997 0.800 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS B 11 8.944 0.962 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.615 2.077 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.049 3.334 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.891 2.136 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.240 2.526 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.870 0.914 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.363 1.966 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.793 1.789 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.159 4.027 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.461 4.002 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.301 4.307 -6.861 1.00 0.00 H new ATOM 1034 N ILE B 12 5.332 -0.646 -6.593 1.00 0.00 N ATOM 1035 CA ILE B 12 4.229 -1.099 -7.427 1.00 0.00 C ATOM 1036 C ILE B 12 3.588 0.165 -7.983 1.00 0.00 C ATOM 1037 O ILE B 12 2.769 0.795 -7.323 1.00 0.00 O ATOM 1038 CB ILE B 12 3.222 -1.983 -6.660 1.00 0.00 C ATOM 1039 CG1 ILE B 12 3.938 -3.156 -5.961 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.147 -2.474 -7.652 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.014 -3.959 -5.047 1.00 0.00 C ATOM 0 H ILE B 12 5.111 -0.586 -5.599 1.00 0.00 H new ATOM 0 HA ILE B 12 4.587 -1.746 -8.228 1.00 0.00 H new ATOM 0 HB ILE B 12 2.741 -1.402 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.359 -3.819 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.772 -2.769 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.426 -3.101 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.633 -1.616 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.621 -3.052 -8.445 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.576 -4.770 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.613 -3.307 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.194 -4.374 -5.633 1.00 0.00 H new ATOM 1053 N LEU B 13 3.971 0.575 -9.187 1.00 0.00 N ATOM 1054 CA LEU B 13 3.232 1.595 -9.896 1.00 0.00 C ATOM 1055 C LEU B 13 1.834 1.061 -10.168 1.00 0.00 C ATOM 1056 O LEU B 13 1.655 0.124 -10.944 1.00 0.00 O ATOM 1057 CB LEU B 13 3.948 2.065 -11.162 1.00 0.00 C ATOM 1058 CG LEU B 13 3.268 3.344 -11.705 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.337 4.242 -12.319 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.177 3.070 -12.749 1.00 0.00 C ATOM 0 H LEU B 13 4.785 0.215 -9.684 1.00 0.00 H new ATOM 0 HA LEU B 13 3.160 2.490 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.997 2.264 -10.944 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.923 1.280 -11.918 1.00 0.00 H new ATOM 0 HG LEU B 13 2.773 3.824 -10.861 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.872 5.149 -12.706 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.071 4.507 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.833 3.713 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.747 4.014 -13.082 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.612 2.548 -13.602 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.396 2.452 -12.306 1.00 0.00 H new ATOM 1072 N CYS B 14 0.859 1.668 -9.503 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.550 1.460 -9.729 1.00 0.00 C ATOM 1074 C CYS B 14 -1.176 2.805 -10.109 1.00 0.00 C ATOM 1075 O CYS B 14 -0.487 3.816 -10.289 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.161 0.856 -8.457 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.682 -0.053 -8.846 1.00 0.00 S ATOM 0 H CYS B 14 1.045 2.345 -8.763 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.739 0.763 -10.546 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.442 0.187 -7.985 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.378 1.648 -7.740 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.760 -1.111 -8.094 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.502 2.817 -10.194 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.289 4.028 -10.278 1.00 0.00 C ATOM 1085 C VAL B 15 -4.291 4.025 -9.129 1.00 0.00 C ATOM 1086 O VAL B 15 -4.644 2.970 -8.597 1.00 0.00 O ATOM 1087 CB VAL B 15 -3.965 4.174 -11.656 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -2.921 4.479 -12.738 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.793 2.938 -12.044 1.00 0.00 C ATOM 0 H VAL B 15 -3.064 1.966 -10.206 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.642 4.900 -10.182 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.659 5.011 -11.580 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.416 4.579 -13.704 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.407 5.409 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.197 3.666 -12.784 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.246 3.096 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.144 2.063 -12.081 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.576 2.778 -11.303 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.757 5.216 -8.757 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.876 5.370 -7.854 1.00 0.00 C ATOM 1101 C CYS B 16 -7.102 4.789 -8.543 1.00 0.00 C ATOM 1102 O CYS B 16 -7.481 5.257 -9.616 1.00 0.00 O ATOM 1103 CB CYS B 16 -6.091 6.850 -7.554 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.278 7.031 -6.205 1.00 0.00 S ATOM 0 H CYS B 16 -4.362 6.099 -9.079 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.691 4.854 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.144 7.317 -7.283 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.456 7.362 -8.444 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.755 8.240 -6.206 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.732 3.802 -7.912 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.819 3.011 -8.488 1.00 0.00 C ATOM 1111 C CYS B 17 -10.008 3.866 -8.967 1.00 0.00 C ATOM 1112 O CYS B 17 -10.802 3.403 -9.783 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.258 1.969 -7.445 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.123 0.575 -8.223 1.00 0.00 S ATOM 0 H CYS B 17 -7.495 3.522 -6.960 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.449 2.517 -9.386 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.385 1.602 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.911 2.440 -6.711 1.00 0.00 H new ATOM 0 HG CYS B 17 -10.474 -0.282 -7.310 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.131 5.113 -8.486 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.283 5.975 -8.709 1.00 0.00 C ATOM 1122 C LYS B 18 -10.977 7.352 -9.298 1.00 0.00 C ATOM 1123 O LYS B 18 -11.889 7.941 -9.871 1.00 0.00 O ATOM 1124 CB LYS B 18 -12.086 6.061 -7.411 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.280 6.360 -6.129 1.00 0.00 C ATOM 1126 CD LYS B 18 -12.182 6.223 -4.898 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.548 4.750 -4.673 1.00 0.00 C ATOM 1128 NZ LYS B 18 -13.302 4.504 -3.428 1.00 0.00 N ATOM 0 H LYS B 18 -9.408 5.553 -7.917 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.877 5.510 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.844 6.836 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.614 5.118 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.438 5.673 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.866 7.367 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.673 6.617 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.088 6.814 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.139 4.399 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -11.633 4.157 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.876 3.705 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.271 5.354 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.291 4.279 -3.660 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.738 7.856 -9.226 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.331 9.068 -9.919 1.00 0.00 C ATOM 1144 C CYS B 19 -8.271 8.810 -10.997 1.00 0.00 C ATOM 1145 O CYS B 19 -7.838 9.762 -11.641 1.00 0.00 O ATOM 1146 CB CYS B 19 -8.879 10.109 -8.894 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.262 9.882 -8.110 1.00 0.00 S ATOM 0 H CYS B 19 -8.991 7.426 -8.680 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.193 9.459 -10.460 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -8.879 11.083 -9.384 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -9.630 10.149 -8.105 1.00 0.00 H new ATOM 1152 N ASP B 20 -7.851 7.549 -11.189 1.00 0.00 N ATOM 1153 CA ASP B 20 -6.853 7.099 -12.165 1.00 0.00 C ATOM 1154 C ASP B 20 -5.497 7.811 -12.013 1.00 0.00 C ATOM 1155 O ASP B 20 -4.687 7.859 -12.936 1.00 0.00 O ATOM 1156 CB ASP B 20 -7.446 7.158 -13.582 1.00 0.00 C ATOM 1157 CG ASP B 20 -6.609 6.389 -14.610 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.181 5.261 -14.273 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -6.466 6.904 -15.742 1.00 0.00 O ATOM 0 H ASP B 20 -8.221 6.776 -10.636 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.614 6.055 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -8.457 6.750 -13.565 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -7.528 8.199 -13.893 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.226 8.374 -10.828 1.00 0.00 N ATOM 1165 CA GLY B 21 -3.995 9.123 -10.610 1.00 0.00 C ATOM 1166 C GLY B 21 -2.844 8.153 -10.424 1.00 0.00 C ATOM 1167 O GLY B 21 -3.003 7.124 -9.778 1.00 0.00 O ATOM 0 H GLY B 21 -5.841 8.322 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -3.800 9.779 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.094 9.760 -9.731 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.686 8.511 -10.968 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.463 7.708 -10.984 1.00 0.00 C ATOM 1173 C ARG B 22 0.063 7.562 -9.559 1.00 0.00 C ATOM 1174 O ARG B 22 0.429 8.573 -8.960 1.00 0.00 O ATOM 1175 CB ARG B 22 0.546 8.402 -11.921 1.00 0.00 C ATOM 1176 CG ARG B 22 1.893 7.687 -12.129 1.00 0.00 C ATOM 1177 CD ARG B 22 2.993 8.100 -11.135 1.00 0.00 C ATOM 1178 NE ARG B 22 4.314 7.643 -11.604 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.439 7.565 -10.879 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.548 8.123 -9.677 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.489 6.885 -11.325 1.00 0.00 N ATOM 0 H ARG B 22 -1.566 9.411 -11.432 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.645 6.701 -11.360 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.074 8.531 -12.895 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.746 9.399 -11.529 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.735 6.611 -12.051 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.243 7.885 -13.142 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.997 9.184 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.782 7.675 -10.154 1.00 0.00 H new ATOM 0 HE ARG B 22 4.379 7.357 -12.581 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.759 8.631 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.420 8.043 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.445 6.414 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.339 6.833 -10.764 1.00 0.00 H new ATOM 1195 N ILE B 23 0.143 6.334 -9.027 1.00 0.00 N ATOM 1196 CA ILE B 23 0.672 6.099 -7.686 1.00 0.00 C ATOM 1197 C ILE B 23 1.805 5.081 -7.757 1.00 0.00 C ATOM 1198 O ILE B 23 1.587 3.907 -8.037 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.388 5.646 -6.653 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.812 6.192 -6.854 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.172 6.074 -5.282 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.817 5.603 -5.855 1.00 0.00 C ATOM 0 H ILE B 23 -0.155 5.488 -9.512 1.00 0.00 H new ATOM 0 HA ILE B 23 1.038 7.061 -7.328 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.530 4.571 -6.759 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.799 7.277 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.142 5.970 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.527 5.785 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.131 5.584 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.309 7.155 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.805 6.023 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.855 4.520 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.506 5.847 -4.839 1.00 0.00 H new ATOM 1214 N GLU B 24 3.025 5.528 -7.471 1.00 0.00 N ATOM 1215 CA GLU B 24 4.185 4.666 -7.324 1.00 0.00 C ATOM 1216 C GLU B 24 4.204 4.107 -5.898 1.00 0.00 C ATOM 1217 O GLU B 24 4.825 4.680 -4.995 1.00 0.00 O ATOM 1218 CB GLU B 24 5.403 5.486 -7.734 1.00 0.00 C ATOM 1219 CG GLU B 24 6.701 4.684 -7.760 1.00 0.00 C ATOM 1220 CD GLU B 24 7.877 5.469 -8.364 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.650 6.552 -8.962 1.00 0.00 O ATOM 1222 OE2 GLU B 24 9.009 4.943 -8.270 1.00 0.00 O ATOM 0 H GLU B 24 3.234 6.517 -7.333 1.00 0.00 H new ATOM 0 HA GLU B 24 4.170 3.786 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.228 5.910 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.516 6.322 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.956 4.382 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.547 3.771 -8.335 1.00 0.00 H new ATOM 1229 N LEU B 25 3.451 3.017 -5.689 1.00 0.00 N ATOM 1230 CA LEU B 25 3.178 2.454 -4.373 1.00 0.00 C ATOM 1231 C LEU B 25 4.469 1.889 -3.813 1.00 0.00 C ATOM 1232 O LEU B 25 4.869 0.773 -4.162 1.00 0.00 O ATOM 1233 CB LEU B 25 2.115 1.346 -4.395 1.00 0.00 C ATOM 1234 CG LEU B 25 0.795 1.698 -5.089 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.089 0.453 -5.138 1.00 0.00 C ATOM 1236 CD2 LEU B 25 0.075 2.801 -4.316 1.00 0.00 C ATOM 0 H LEU B 25 3.010 2.498 -6.448 1.00 0.00 H new ATOM 0 HA LEU B 25 2.785 3.258 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.540 0.471 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.897 1.058 -3.367 1.00 0.00 H new ATOM 0 HG LEU B 25 1.001 2.050 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.031 0.695 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.420 -0.333 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.288 0.108 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.862 3.044 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.134 2.458 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.706 3.689 -4.276 1.00 0.00 H new ATOM 1248 N THR B 26 5.142 2.679 -2.982 1.00 0.00 N ATOM 1249 CA THR B 26 6.425 2.278 -2.460 1.00 0.00 C ATOM 1250 C THR B 26 6.170 1.455 -1.201 1.00 0.00 C ATOM 1251 O THR B 26 5.858 1.981 -0.130 1.00 0.00 O ATOM 1252 CB THR B 26 7.371 3.467 -2.337 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.422 4.112 -3.602 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.785 2.993 -1.965 1.00 0.00 C ATOM 0 H THR B 26 4.816 3.591 -2.663 1.00 0.00 H new ATOM 0 HA THR B 26 6.972 1.628 -3.142 1.00 0.00 H new ATOM 0 HB THR B 26 7.014 4.143 -1.560 1.00 0.00 H new ATOM 0 HG1 THR B 26 6.518 4.378 -3.870 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.447 3.855 -1.881 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.753 2.466 -1.011 1.00 0.00 H new ATOM 0 HG23 THR B 26 9.159 2.322 -2.738 1.00 0.00 H new ATOM 1262 N VAL B 27 6.244 0.137 -1.377 1.00 0.00 N ATOM 1263 CA VAL B 27 6.119 -0.853 -0.323 1.00 0.00 C ATOM 1264 C VAL B 27 7.551 -1.351 -0.145 1.00 0.00 C ATOM 1265 O VAL B 27 8.185 -1.821 -1.096 1.00 0.00 O ATOM 1266 CB VAL B 27 5.044 -1.928 -0.667 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.722 -1.263 -1.086 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.457 -2.893 -1.790 1.00 0.00 C ATOM 0 H VAL B 27 6.399 -0.281 -2.295 1.00 0.00 H new ATOM 0 HA VAL B 27 5.737 -0.472 0.624 1.00 0.00 H new ATOM 0 HB VAL B 27 4.928 -2.507 0.249 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.986 -2.032 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.351 -0.644 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.890 -0.641 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.655 -3.609 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.649 -2.329 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.361 -3.427 -1.497 1.00 0.00 H new ATOM 1278 N GLU B 28 8.121 -1.136 1.039 1.00 0.00 N ATOM 1279 CA GLU B 28 9.441 -1.660 1.320 1.00 0.00 C ATOM 1280 C GLU B 28 9.198 -3.097 1.783 1.00 0.00 C ATOM 1281 O GLU B 28 8.785 -3.308 2.923 1.00 0.00 O ATOM 1282 CB GLU B 28 10.266 -0.768 2.268 1.00 0.00 C ATOM 1283 CG GLU B 28 10.189 0.720 1.950 1.00 0.00 C ATOM 1284 CD GLU B 28 11.378 1.477 2.556 1.00 0.00 C ATOM 1285 OE1 GLU B 28 11.411 1.695 3.790 1.00 0.00 O ATOM 1286 OE2 GLU B 28 12.205 2.001 1.776 1.00 0.00 O ATOM 0 H GLU B 28 7.693 -0.611 1.802 1.00 0.00 H new ATOM 0 HA GLU B 28 10.089 -1.661 0.444 1.00 0.00 H new ATOM 0 HB2 GLU B 28 9.922 -0.928 3.290 1.00 0.00 H new ATOM 0 HB3 GLU B 28 11.309 -1.083 2.229 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.175 0.864 0.870 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.257 1.130 2.338 1.00 0.00 H new ATOM 1293 N SER B 29 9.328 -4.066 0.867 1.00 0.00 N ATOM 1294 CA SER B 29 9.207 -5.482 1.182 1.00 0.00 C ATOM 1295 C SER B 29 9.926 -6.312 0.138 1.00 0.00 C ATOM 1296 O SER B 29 10.070 -5.900 -1.011 1.00 0.00 O ATOM 1297 CB SER B 29 7.751 -5.946 1.199 1.00 0.00 C ATOM 1298 OG SER B 29 7.667 -7.057 2.074 1.00 0.00 O ATOM 0 H SER B 29 9.521 -3.881 -0.117 1.00 0.00 H new ATOM 0 HA SER B 29 9.644 -5.616 2.171 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.097 -5.142 1.536 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.425 -6.223 0.196 1.00 0.00 H new ATOM 0 HG SER B 29 6.753 -7.411 2.067 1.00 0.00 H new ATOM 1304 N SER B 30 10.308 -7.520 0.536 1.00 0.00 N ATOM 1305 CA SER B 30 10.986 -8.503 -0.290 1.00 0.00 C ATOM 1306 C SER B 30 10.214 -8.715 -1.597 1.00 0.00 C ATOM 1307 O SER B 30 8.982 -8.696 -1.604 1.00 0.00 O ATOM 1308 CB SER B 30 11.095 -9.793 0.531 1.00 0.00 C ATOM 1309 OG SER B 30 11.530 -9.497 1.853 1.00 0.00 O ATOM 0 H SER B 30 10.145 -7.852 1.486 1.00 0.00 H new ATOM 0 HA SER B 30 11.985 -8.167 -0.569 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.128 -10.296 0.562 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.796 -10.478 0.054 1.00 0.00 H new ATOM 0 HG SER B 30 10.752 -9.318 2.421 1.00 0.00 H new ATOM 1315 N ALA B 31 10.920 -8.924 -2.715 1.00 0.00 N ATOM 1316 CA ALA B 31 10.299 -8.896 -4.041 1.00 0.00 C ATOM 1317 C ALA B 31 9.106 -9.847 -4.159 1.00 0.00 C ATOM 1318 O ALA B 31 8.109 -9.502 -4.791 1.00 0.00 O ATOM 1319 CB ALA B 31 11.339 -9.238 -5.110 1.00 0.00 C ATOM 0 H ALA B 31 11.922 -9.114 -2.726 1.00 0.00 H new ATOM 0 HA ALA B 31 9.920 -7.885 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA B 31 10.870 -9.215 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.148 -8.509 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.740 -10.234 -4.922 1.00 0.00 H new ATOM 1325 N GLU B 32 9.178 -11.026 -3.534 1.00 0.00 N ATOM 1326 CA GLU B 32 8.133 -12.023 -3.678 1.00 0.00 C ATOM 1327 C GLU B 32 7.055 -11.949 -2.599 1.00 0.00 C ATOM 1328 O GLU B 32 5.939 -12.441 -2.784 1.00 0.00 O ATOM 1329 CB GLU B 32 8.750 -13.411 -3.826 1.00 0.00 C ATOM 1330 CG GLU B 32 8.013 -14.106 -4.981 1.00 0.00 C ATOM 1331 CD GLU B 32 8.590 -15.428 -5.473 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.355 -16.077 -4.731 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.228 -15.760 -6.628 1.00 0.00 O ATOM 0 H GLU B 32 9.949 -11.305 -2.927 1.00 0.00 H new ATOM 0 HA GLU B 32 7.591 -11.797 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.817 -13.339 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.645 -13.981 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.983 -14.281 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU B 32 7.978 -13.417 -5.825 1.00 0.00 H new ATOM 1340 N ASP B 33 7.345 -11.235 -1.516 1.00 0.00 N ATOM 1341 CA ASP B 33 6.347 -10.731 -0.599 1.00 0.00 C ATOM 1342 C ASP B 33 5.485 -9.706 -1.362 1.00 0.00 C ATOM 1343 O ASP B 33 4.259 -9.809 -1.378 1.00 0.00 O ATOM 1344 CB ASP B 33 7.091 -10.184 0.625 1.00 0.00 C ATOM 1345 CG ASP B 33 6.176 -9.697 1.731 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.820 -8.495 1.661 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.955 -10.482 2.682 1.00 0.00 O ATOM 0 H ASP B 33 8.299 -10.990 -1.253 1.00 0.00 H new ATOM 0 HA ASP B 33 5.655 -11.487 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.741 -10.964 1.021 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.734 -9.362 0.310 1.00 0.00 H new ATOM 1352 N LEU B 34 6.129 -8.822 -2.143 1.00 0.00 N ATOM 1353 CA LEU B 34 5.477 -7.864 -3.043 1.00 0.00 C ATOM 1354 C LEU B 34 4.657 -8.567 -4.124 1.00 0.00 C ATOM 1355 O LEU B 34 3.561 -8.149 -4.473 1.00 0.00 O ATOM 1356 CB LEU B 34 6.511 -6.871 -3.618 1.00 0.00 C ATOM 1357 CG LEU B 34 6.193 -6.229 -4.997 1.00 0.00 C ATOM 1358 CD1 LEU B 34 6.853 -4.849 -5.046 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.752 -7.006 -6.199 1.00 0.00 C ATOM 0 H LEU B 34 7.147 -8.755 -2.164 1.00 0.00 H new ATOM 0 HA LEU B 34 4.761 -7.281 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.645 -6.067 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.467 -7.389 -3.699 1.00 0.00 H new ATOM 0 HG LEU B 34 5.106 -6.210 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.643 -4.379 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.456 -4.227 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU B 34 7.931 -4.957 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.485 -6.490 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.837 -7.069 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.331 -8.011 -6.210 1.00 0.00 H new ATOM 1371 N ARG B 35 5.206 -9.646 -4.651 1.00 0.00 N ATOM 1372 CA ARG B 35 4.628 -10.504 -5.687 1.00 0.00 C ATOM 1373 C ARG B 35 3.395 -11.186 -5.133 1.00 0.00 C ATOM 1374 O ARG B 35 2.373 -11.223 -5.805 1.00 0.00 O ATOM 1375 CB ARG B 35 5.612 -11.569 -6.182 1.00 0.00 C ATOM 1376 CG ARG B 35 5.130 -12.286 -7.453 1.00 0.00 C ATOM 1377 CD ARG B 35 6.047 -13.460 -7.822 1.00 0.00 C ATOM 1378 NE ARG B 35 5.579 -14.128 -9.044 1.00 0.00 N ATOM 1379 CZ ARG B 35 5.982 -15.320 -9.511 1.00 0.00 C ATOM 1380 NH1 ARG B 35 6.904 -16.057 -8.892 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.441 -15.785 -10.638 1.00 0.00 N ATOM 0 H ARG B 35 6.125 -9.973 -4.353 1.00 0.00 H new ATOM 0 HA ARG B 35 4.376 -9.870 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.577 -11.101 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.770 -12.305 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.114 -12.651 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.095 -11.577 -8.280 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.065 -13.099 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.077 -14.176 -7.000 1.00 0.00 H new ATOM 0 HE ARG B 35 4.875 -13.635 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.332 -15.720 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.182 -16.958 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.734 -15.237 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.734 -16.689 -11.009 1.00 0.00 H new ATOM 1395 N THR B 36 3.477 -11.717 -3.919 1.00 0.00 N ATOM 1396 CA THR B 36 2.324 -12.283 -3.233 1.00 0.00 C ATOM 1397 C THR B 36 1.229 -11.210 -3.140 1.00 0.00 C ATOM 1398 O THR B 36 0.091 -11.449 -3.537 1.00 0.00 O ATOM 1399 CB THR B 36 2.749 -12.859 -1.872 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.841 -13.746 -2.035 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.602 -13.655 -1.239 1.00 0.00 C ATOM 0 H THR B 36 4.344 -11.767 -3.384 1.00 0.00 H new ATOM 0 HA THR B 36 1.906 -13.121 -3.791 1.00 0.00 H new ATOM 0 HB THR B 36 3.025 -12.020 -1.233 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.681 -13.251 -1.940 1.00 0.00 H new ATOM 0 HG21 THR B 36 1.924 -14.054 -0.277 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.743 -13.001 -1.092 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.323 -14.477 -1.898 1.00 0.00 H new ATOM 1409 N LEU B 37 1.595 -9.991 -2.737 1.00 0.00 N ATOM 1410 CA LEU B 37 0.731 -8.812 -2.744 1.00 0.00 C ATOM 1411 C LEU B 37 0.206 -8.469 -4.157 1.00 0.00 C ATOM 1412 O LEU B 37 -0.954 -8.098 -4.316 1.00 0.00 O ATOM 1413 CB LEU B 37 1.486 -7.686 -2.000 1.00 0.00 C ATOM 1414 CG LEU B 37 1.512 -6.282 -2.614 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.162 -5.561 -2.432 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.562 -5.450 -1.869 1.00 0.00 C ATOM 0 H LEU B 37 2.532 -9.793 -2.386 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.199 -8.992 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.054 -7.602 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.519 -8.010 -1.873 1.00 0.00 H new ATOM 0 HG LEU B 37 1.732 -6.382 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.216 -4.568 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.626 -6.136 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.061 -5.468 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.597 -4.446 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.297 -5.391 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.540 -5.921 -1.972 1.00 0.00 H new ATOM 1428 N GLN B 38 0.992 -8.666 -5.214 1.00 0.00 N ATOM 1429 CA GLN B 38 0.548 -8.519 -6.596 1.00 0.00 C ATOM 1430 C GLN B 38 -0.488 -9.603 -6.943 1.00 0.00 C ATOM 1431 O GLN B 38 -1.415 -9.342 -7.710 1.00 0.00 O ATOM 1432 CB GLN B 38 1.783 -8.530 -7.506 1.00 0.00 C ATOM 1433 CG GLN B 38 1.555 -8.637 -9.017 1.00 0.00 C ATOM 1434 CD GLN B 38 2.865 -9.104 -9.646 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.026 -10.282 -9.955 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.850 -8.215 -9.736 1.00 0.00 N ATOM 0 H GLN B 38 1.972 -8.937 -5.131 1.00 0.00 H new ATOM 0 HA GLN B 38 0.037 -7.568 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.347 -7.617 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.415 -9.364 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.752 -9.342 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.254 -7.674 -9.429 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.686 -7.244 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.770 -8.505 -10.069 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.397 -10.799 -6.351 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.438 -11.799 -6.503 1.00 0.00 C ATOM 1447 C GLN B 39 -2.689 -11.372 -5.722 1.00 0.00 C ATOM 1448 O GLN B 39 -3.798 -11.659 -6.159 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.977 -13.212 -6.130 1.00 0.00 C ATOM 1450 CG GLN B 39 0.393 -13.633 -6.690 1.00 0.00 C ATOM 1451 CD GLN B 39 0.718 -13.167 -8.117 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.196 -13.692 -9.092 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.618 -12.196 -8.247 1.00 0.00 N ATOM 0 H GLN B 39 0.387 -11.089 -5.766 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.689 -11.855 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.945 -13.289 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.726 -13.923 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.167 -13.254 -6.022 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.454 -14.721 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.038 -11.775 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN B 39 1.888 -11.872 -9.176 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.536 -10.628 -4.616 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.656 -10.000 -3.911 1.00 0.00 C ATOM 1464 C LEU B 40 -4.309 -8.879 -4.747 1.00 0.00 C ATOM 1465 O LEU B 40 -5.527 -8.709 -4.679 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.251 -9.527 -2.502 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.721 -10.647 -1.579 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.227 -10.051 -0.259 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.765 -11.726 -1.265 1.00 0.00 C ATOM 0 H LEU B 40 -1.629 -10.447 -4.187 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.420 -10.765 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.484 -8.758 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.114 -9.060 -2.027 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.907 -11.124 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.856 -10.849 0.384 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.424 -9.342 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.049 -9.537 0.239 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.324 -12.480 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.621 -11.270 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.093 -12.196 -2.192 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.556 -8.172 -5.608 1.00 0.00 N ATOM 1482 CA PHE B 41 -4.138 -7.301 -6.644 1.00 0.00 C ATOM 1483 C PHE B 41 -4.965 -8.134 -7.620 1.00 0.00 C ATOM 1484 O PHE B 41 -6.120 -7.809 -7.884 1.00 0.00 O ATOM 1485 CB PHE B 41 -3.075 -6.486 -7.405 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.658 -5.168 -6.783 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -3.348 -3.989 -7.123 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -1.533 -5.093 -5.940 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.926 -2.751 -6.614 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -1.096 -3.851 -5.451 1.00 0.00 C ATOM 1491 CZ PHE B 41 -1.802 -2.683 -5.777 1.00 0.00 C ATOM 0 H PHE B 41 -2.536 -8.188 -5.606 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.780 -6.582 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -2.186 -7.106 -7.517 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -3.453 -6.285 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.205 -4.037 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -1.004 -5.994 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -3.466 -1.851 -6.867 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -0.218 -3.795 -4.825 1.00 0.00 H new ATOM 0 HZ PHE B 41 -1.480 -1.730 -5.383 1.00 0.00 H new ATOM 1501 N LEU B 42 -4.378 -9.212 -8.147 1.00 0.00 N ATOM 1502 CA LEU B 42 -5.052 -10.108 -9.086 1.00 0.00 C ATOM 1503 C LEU B 42 -6.278 -10.804 -8.467 1.00 0.00 C ATOM 1504 O LEU B 42 -7.196 -11.165 -9.198 1.00 0.00 O ATOM 1505 CB LEU B 42 -4.030 -11.126 -9.617 1.00 0.00 C ATOM 1506 CG LEU B 42 -3.024 -10.521 -10.621 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.828 -11.462 -10.808 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.671 -10.260 -11.989 1.00 0.00 C ATOM 0 H LEU B 42 -3.419 -9.487 -7.933 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.442 -9.514 -9.913 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.482 -11.551 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.562 -11.947 -10.098 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.691 -9.569 -10.208 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.127 -11.023 -11.518 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.329 -11.611 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.176 -12.422 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.931 -9.835 -12.666 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -4.043 -11.198 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.500 -9.562 -11.872 1.00 0.00 H new ATOM 1520 N SER B 43 -6.297 -10.967 -7.141 1.00 0.00 N ATOM 1521 CA SER B 43 -7.433 -11.352 -6.316 1.00 0.00 C ATOM 1522 C SER B 43 -8.475 -10.227 -6.317 1.00 0.00 C ATOM 1523 O SER B 43 -9.426 -10.302 -7.094 1.00 0.00 O ATOM 1524 CB SER B 43 -6.889 -11.721 -4.927 1.00 0.00 C ATOM 1525 OG SER B 43 -7.821 -11.727 -3.869 1.00 0.00 O ATOM 0 H SER B 43 -5.457 -10.822 -6.582 1.00 0.00 H new ATOM 0 HA SER B 43 -7.957 -12.225 -6.704 1.00 0.00 H new ATOM 0 HB2 SER B 43 -6.437 -12.711 -4.989 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.092 -11.022 -4.676 1.00 0.00 H new ATOM 0 HG SER B 43 -7.378 -11.447 -3.041 1.00 0.00 H new ATOM 1531 N THR B 44 -8.324 -9.199 -5.463 1.00 0.00 N ATOM 1532 CA THR B 44 -9.284 -8.103 -5.342 1.00 0.00 C ATOM 1533 C THR B 44 -8.687 -6.710 -5.176 1.00 0.00 C ATOM 1534 O THR B 44 -9.415 -5.728 -5.314 1.00 0.00 O ATOM 1535 CB THR B 44 -10.361 -8.361 -4.259 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.926 -8.462 -2.904 1.00 0.00 O ATOM 1537 CG2 THR B 44 -11.104 -9.658 -4.551 1.00 0.00 C ATOM 0 H THR B 44 -7.524 -9.111 -4.836 1.00 0.00 H new ATOM 0 HA THR B 44 -9.761 -8.100 -6.322 1.00 0.00 H new ATOM 0 HB THR B 44 -10.971 -7.461 -4.329 1.00 0.00 H new ATOM 0 HG1 THR B 44 -9.077 -7.985 -2.797 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.858 -9.827 -3.782 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.589 -9.588 -5.525 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.398 -10.489 -4.555 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.403 -6.618 -4.834 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.832 -5.368 -4.340 1.00 0.00 C ATOM 1547 C LEU B 45 -6.730 -4.302 -5.429 1.00 0.00 C ATOM 1548 O LEU B 45 -6.404 -4.560 -6.588 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.497 -5.612 -3.603 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.058 -4.443 -2.693 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -4.471 -4.987 -1.386 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -3.995 -3.558 -3.348 1.00 0.00 C ATOM 0 H LEU B 45 -6.741 -7.392 -4.890 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.525 -4.962 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.587 -6.515 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.716 -5.798 -4.340 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.950 -3.844 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.164 -4.156 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.224 -5.581 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.606 -5.612 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.722 -2.752 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.113 -4.156 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.392 -3.134 -4.270 1.00 0.00 H new ATOM 1564 N SER B 46 -6.970 -3.055 -5.041 1.00 0.00 N ATOM 1565 CA SER B 46 -6.536 -1.863 -5.740 1.00 0.00 C ATOM 1566 C SER B 46 -6.267 -0.783 -4.692 1.00 0.00 C ATOM 1567 O SER B 46 -6.588 -0.955 -3.513 1.00 0.00 O ATOM 1568 CB SER B 46 -7.580 -1.473 -6.784 1.00 0.00 C ATOM 1569 OG SER B 46 -7.571 -2.452 -7.805 1.00 0.00 O ATOM 0 H SER B 46 -7.496 -2.844 -4.193 1.00 0.00 H new ATOM 0 HA SER B 46 -5.611 -2.022 -6.295 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.568 -1.408 -6.328 1.00 0.00 H new ATOM 0 HB3 SER B 46 -7.355 -0.490 -7.198 1.00 0.00 H new ATOM 0 HG SER B 46 -6.890 -3.128 -7.604 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.634 0.318 -5.096 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.151 1.330 -4.181 1.00 0.00 C ATOM 1577 C PHE B 47 -5.912 2.619 -4.436 1.00 0.00 C ATOM 1578 O PHE B 47 -6.446 2.865 -5.522 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.633 1.503 -4.337 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.943 1.997 -3.076 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.874 3.373 -2.785 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.368 1.073 -2.181 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.267 3.822 -1.600 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.739 1.524 -1.006 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.701 2.897 -0.707 1.00 0.00 C ATOM 0 H PHE B 47 -5.445 0.526 -6.076 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.327 1.030 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.195 0.549 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.437 2.206 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.291 4.089 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.410 0.016 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.236 4.878 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.284 0.813 -0.332 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.238 3.240 0.207 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.921 3.450 -3.406 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.567 4.735 -3.359 1.00 0.00 C ATOM 1597 C VAL B 48 -5.595 5.711 -2.704 1.00 0.00 C ATOM 1598 O VAL B 48 -5.166 5.502 -1.570 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.962 4.657 -2.695 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -9.052 4.607 -3.764 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.181 3.480 -1.751 1.00 0.00 C ATOM 0 H VAL B 48 -5.446 3.224 -2.532 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.791 5.103 -4.360 1.00 0.00 H new ATOM 0 HB VAL B 48 -8.015 5.559 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -10.029 4.552 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.999 5.505 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.906 3.728 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.191 3.524 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.051 2.546 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.458 3.527 -0.937 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.171 6.726 -3.467 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.162 7.695 -3.035 1.00 0.00 C ATOM 1613 C CYS B 49 -4.642 8.434 -1.777 1.00 0.00 C ATOM 1614 O CYS B 49 -5.853 8.590 -1.600 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.899 8.682 -4.184 1.00 0.00 C ATOM 1616 SG CYS B 49 -5.366 9.500 -4.876 1.00 0.00 S ATOM 0 H CYS B 49 -5.523 6.897 -4.409 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.234 7.180 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.212 9.450 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -3.391 8.148 -4.987 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.737 8.983 -0.939 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.144 9.713 0.261 1.00 0.00 C ATOM 1623 C PRO B 50 -5.044 10.922 -0.043 1.00 0.00 C ATOM 1624 O PRO B 50 -5.878 11.291 0.788 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.848 10.107 0.979 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.774 10.013 -0.105 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.282 8.882 -0.996 1.00 0.00 C ATOM 0 HA PRO B 50 -4.767 9.084 0.897 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.911 11.114 1.390 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.634 9.436 1.811 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.675 10.948 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.795 9.786 0.316 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.918 8.990 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.939 7.912 -0.637 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.938 11.502 -1.246 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.853 12.532 -1.714 1.00 0.00 C ATOM 1637 C TRP B 51 -7.290 12.000 -1.805 1.00 0.00 C ATOM 1638 O TRP B 51 -8.194 12.641 -1.269 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.363 13.099 -3.051 1.00 0.00 C ATOM 1640 CG TRP B 51 -6.204 14.216 -3.584 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.143 15.506 -3.185 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -7.272 14.155 -4.578 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -7.103 16.242 -3.850 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -7.837 15.457 -4.715 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -7.832 13.125 -5.364 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -8.910 15.723 -5.578 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -8.914 13.378 -6.227 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -9.455 14.671 -6.333 1.00 0.00 C ATOM 0 H TRP B 51 -4.210 11.264 -1.919 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.868 13.346 -0.989 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -4.340 13.454 -2.930 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.336 12.295 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -5.449 15.901 -2.457 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.251 17.243 -3.718 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -7.424 12.127 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -9.312 16.722 -5.661 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -9.332 12.573 -6.813 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -10.289 14.856 -6.994 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.508 10.828 -2.419 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.821 10.187 -2.472 1.00 0.00 C ATOM 1661 C CYS B 52 -9.226 9.592 -1.123 1.00 0.00 C ATOM 1662 O CYS B 52 -10.414 9.552 -0.819 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.855 9.088 -3.536 1.00 0.00 C ATOM 1664 SG CYS B 52 -9.043 9.719 -5.215 1.00 0.00 S ATOM 0 H CYS B 52 -6.774 10.301 -2.892 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.535 10.969 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.935 8.506 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -9.678 8.407 -3.318 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.277 9.160 -0.286 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.595 8.770 1.083 1.00 0.00 C ATOM 1671 C ALA B 53 -9.156 9.961 1.875 1.00 0.00 C ATOM 1672 O ALA B 53 -10.006 9.774 2.743 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.352 8.198 1.763 1.00 0.00 C ATOM 0 H ALA B 53 -7.291 9.073 -0.534 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.364 7.998 1.058 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.597 7.909 2.785 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.005 7.324 1.212 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.566 8.953 1.778 1.00 0.00 H new ATOM 1679 N THR B 54 -8.690 11.176 1.561 1.00 0.00 N ATOM 1680 CA THR B 54 -9.103 12.416 2.210 1.00 0.00 C ATOM 1681 C THR B 54 -10.393 12.986 1.592 1.00 0.00 C ATOM 1682 O THR B 54 -11.260 13.441 2.336 1.00 0.00 O ATOM 1683 CB THR B 54 -7.936 13.422 2.136 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.745 12.840 2.633 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.201 14.699 2.940 1.00 0.00 C ATOM 0 H THR B 54 -7.996 11.322 0.828 1.00 0.00 H new ATOM 0 HA THR B 54 -9.339 12.214 3.255 1.00 0.00 H new ATOM 0 HB THR B 54 -7.835 13.684 1.083 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.225 12.471 1.888 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.346 15.369 2.851 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.092 15.194 2.553 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.354 14.444 3.989 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.528 12.988 0.256 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.549 13.769 -0.466 1.00 0.00 C ATOM 1695 C ASN B 55 -12.487 12.917 -1.328 1.00 0.00 C ATOM 1696 O ASN B 55 -13.548 13.399 -1.722 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.875 14.778 -1.415 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.888 15.717 -0.736 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.248 16.774 -0.236 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.616 15.346 -0.712 1.00 0.00 N ATOM 0 H ASN B 55 -9.926 12.442 -0.361 1.00 0.00 H new ATOM 0 HA ASN B 55 -12.135 14.256 0.313 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.354 14.229 -2.199 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.648 15.373 -1.902 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.918 15.945 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.335 14.461 -1.134 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.093 11.672 -1.608 1.00 0.00 N ATOM 1708 CA GLN B 56 -12.554 10.835 -2.711 1.00 0.00 C ATOM 1709 C GLN B 56 -12.680 11.630 -4.018 1.00 0.00 C ATOM 1710 O GLN B 56 -13.728 11.506 -4.694 1.00 0.00 O ATOM 1711 CB GLN B 56 -13.802 10.030 -2.326 1.00 0.00 C ATOM 1712 CG GLN B 56 -13.841 8.771 -3.204 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.225 8.154 -3.279 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.452 7.082 -2.718 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.139 8.808 -3.981 1.00 0.00 N ATOM 0 H GLN B 56 -11.400 11.195 -1.032 1.00 0.00 H new ATOM 0 HA GLN B 56 -11.789 10.087 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -13.770 9.758 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -14.702 10.627 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -13.505 9.023 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.140 8.035 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -15.902 9.694 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.080 8.426 -4.075 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.136 7.815 4.780 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -7.182 8.378 -6.139 1.00 0.00 ZN