USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= 1.08 K(o=1.1,f=-0.25) USER MOD Set 2.1: A 82 GLN : amide:sc= 0.466 K(o=0.98,f=-0.14) USER MOD Set 2.2: A 84 TYR OH : rot -12:sc= 0.516 USER MOD Set 3.1: A 74 THR OG1 : rot -63:sc= 0.964 USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0.83 USER MOD Set 4.1: A 20 ASN : amide:sc= 0.784 K(o=2.8,f=-2) USER MOD Set 4.2: A 44 LYS NZ :NH3+ -143:sc= 2.02 (180deg=1.23) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.979) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.986 K(o=0.99,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.525 USER MOD Single : A 17 CYS SG : rot 62:sc= 0.24 USER MOD Single : A 22 SER OG : rot 140:sc= 0.188 USER MOD Single : A 26 ASN : amide:sc= 2.12 K(o=2.1,f=-8.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 34 SER OG : rot -47:sc= 0.113 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -143:sc= -0.0483 (180deg=-3.54!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.08 K(o=2.1,f=-0.089) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.131 (180deg=-0.114) USER MOD Single : A 63 ASN : amide:sc= 0.123 X(o=0.12,f=-0.09) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -6:sc= 0.00396 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.103) USER MOD Single : A 86 MET CE :methyl -171:sc= 0 (180deg=-0.198) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.099 14.958 -8.620 1.00 0.00 N ATOM 2 CA CYS A 2 -0.621 15.438 -9.906 1.00 0.00 C ATOM 3 C CYS A 2 0.797 14.926 -10.252 1.00 0.00 C ATOM 4 O CYS A 2 1.418 15.372 -11.222 1.00 0.00 O ATOM 5 CB CYS A 2 -0.822 16.983 -9.985 1.00 0.00 C ATOM 6 SG CYS A 2 -0.746 17.943 -8.406 1.00 0.00 S ATOM 0 HA CYS A 2 -1.223 15.007 -10.706 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.065 17.385 -10.659 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.792 17.172 -10.446 1.00 0.00 H new ATOM 11 N GLY A 3 1.317 13.984 -9.454 1.00 0.00 N ATOM 12 CA GLY A 3 2.657 13.388 -9.551 1.00 0.00 C ATOM 13 C GLY A 3 3.744 14.348 -9.055 1.00 0.00 C ATOM 14 O GLY A 3 4.688 13.921 -8.398 1.00 0.00 O ATOM 0 H GLY A 3 0.782 13.594 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.689 12.469 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.859 13.114 -10.586 1.00 0.00 H new ATOM 18 N ASP A 4 3.569 15.656 -9.265 1.00 0.00 N ATOM 19 CA ASP A 4 4.418 16.682 -8.657 1.00 0.00 C ATOM 20 C ASP A 4 4.213 16.701 -7.122 1.00 0.00 C ATOM 21 O ASP A 4 5.077 17.198 -6.394 1.00 0.00 O ATOM 22 CB ASP A 4 4.127 18.052 -9.282 1.00 0.00 C ATOM 23 CG ASP A 4 4.791 18.208 -10.661 1.00 0.00 C ATOM 24 OD1 ASP A 4 6.043 18.273 -10.724 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.072 18.292 -11.687 1.00 0.00 O ATOM 0 H ASP A 4 2.833 16.033 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 4 5.464 16.445 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.050 18.184 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.484 18.838 -8.616 1.00 0.00 H new ATOM 30 N CYS A 5 3.105 16.115 -6.635 1.00 0.00 N ATOM 31 CA CYS A 5 2.780 15.935 -5.223 1.00 0.00 C ATOM 32 C CYS A 5 3.808 15.047 -4.480 1.00 0.00 C ATOM 33 O CYS A 5 3.966 15.169 -3.265 1.00 0.00 O ATOM 34 CB CYS A 5 1.398 15.252 -5.070 1.00 0.00 C ATOM 35 SG CYS A 5 -0.029 16.183 -5.720 1.00 0.00 S ATOM 0 H CYS A 5 2.383 15.739 -7.250 1.00 0.00 H new ATOM 0 HA CYS A 5 2.786 16.934 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.435 14.285 -5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.227 15.055 -4.012 1.00 0.00 H new ATOM 40 N VAL A 6 4.484 14.127 -5.187 1.00 0.00 N ATOM 41 CA VAL A 6 5.414 13.141 -4.605 1.00 0.00 C ATOM 42 C VAL A 6 6.874 13.436 -4.996 1.00 0.00 C ATOM 43 O VAL A 6 7.170 13.786 -6.141 1.00 0.00 O ATOM 44 CB VAL A 6 5.004 11.692 -4.968 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.546 11.400 -4.583 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.157 11.288 -6.438 1.00 0.00 C ATOM 0 H VAL A 6 4.399 14.045 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 6 5.349 13.234 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 6 5.717 11.105 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.297 10.374 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.420 11.533 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.885 12.086 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.839 10.253 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.540 11.937 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.201 11.386 -6.735 1.00 0.00 H new ATOM 56 N GLU A 7 7.813 13.286 -4.057 1.00 0.00 N ATOM 57 CA GLU A 7 9.257 13.470 -4.279 1.00 0.00 C ATOM 58 C GLU A 7 9.793 12.416 -5.271 1.00 0.00 C ATOM 59 O GLU A 7 10.593 12.738 -6.156 1.00 0.00 O ATOM 60 CB GLU A 7 9.996 13.414 -2.923 1.00 0.00 C ATOM 61 CG GLU A 7 11.518 13.481 -3.039 1.00 0.00 C ATOM 62 CD GLU A 7 12.211 13.261 -1.684 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.347 14.226 -0.894 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.663 12.117 -1.433 1.00 0.00 O ATOM 0 H GLU A 7 7.588 13.027 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 7 9.437 14.448 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.653 14.240 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.722 12.492 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.861 12.727 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.808 14.452 -3.441 1.00 0.00 H new ATOM 71 N LYS A 8 9.321 11.169 -5.142 1.00 0.00 N ATOM 72 CA LYS A 8 9.642 10.013 -5.985 1.00 0.00 C ATOM 73 C LYS A 8 8.351 9.272 -6.342 1.00 0.00 C ATOM 74 O LYS A 8 7.468 9.123 -5.498 1.00 0.00 O ATOM 75 CB LYS A 8 10.578 9.055 -5.222 1.00 0.00 C ATOM 76 CG LYS A 8 11.883 9.698 -4.718 1.00 0.00 C ATOM 77 CD LYS A 8 12.833 8.632 -4.153 1.00 0.00 C ATOM 78 CE LYS A 8 14.129 9.238 -3.591 1.00 0.00 C ATOM 79 NZ LYS A 8 13.959 9.800 -2.223 1.00 0.00 N ATOM 0 H LYS A 8 8.664 10.927 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 8 10.136 10.357 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.038 8.644 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.829 8.218 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.371 10.230 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.657 10.435 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.324 8.077 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.080 7.917 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.903 8.471 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.477 10.024 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.893 9.976 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.430 10.694 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.435 9.123 -1.632 1.00 0.00 H new ATOM 93 N GLU A 9 8.251 8.769 -7.570 1.00 0.00 N ATOM 94 CA GLU A 9 7.122 7.943 -8.021 1.00 0.00 C ATOM 95 C GLU A 9 7.343 6.493 -7.558 1.00 0.00 C ATOM 96 O GLU A 9 8.371 5.897 -7.885 1.00 0.00 O ATOM 97 CB GLU A 9 7.020 7.980 -9.558 1.00 0.00 C ATOM 98 CG GLU A 9 6.332 9.243 -10.087 1.00 0.00 C ATOM 99 CD GLU A 9 6.875 9.637 -11.475 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.332 9.163 -12.503 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.852 10.423 -11.549 1.00 0.00 O ATOM 0 H GLU A 9 8.956 8.922 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 9 6.198 8.333 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.021 7.914 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.470 7.104 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.257 9.075 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.487 10.064 -9.387 1.00 0.00 H new ATOM 108 N TYR A 10 6.387 5.924 -6.812 1.00 0.00 N ATOM 109 CA TYR A 10 6.442 4.548 -6.282 1.00 0.00 C ATOM 110 C TYR A 10 7.796 4.208 -5.615 1.00 0.00 C ATOM 111 O TYR A 10 8.495 3.285 -6.051 1.00 0.00 O ATOM 112 CB TYR A 10 6.022 3.520 -7.351 1.00 0.00 C ATOM 113 CG TYR A 10 4.660 3.734 -7.996 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.470 4.776 -8.930 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.579 2.888 -7.667 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.208 4.998 -9.503 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.307 3.121 -8.229 1.00 0.00 C ATOM 118 CZ TYR A 10 2.118 4.170 -9.154 1.00 0.00 C ATOM 119 OH TYR A 10 0.888 4.378 -9.698 1.00 0.00 O ATOM 0 H TYR A 10 5.532 6.416 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 10 5.710 4.489 -5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.776 3.518 -8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.033 2.530 -6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.302 5.407 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.726 2.063 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.070 5.802 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.473 2.494 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 10 0.258 3.715 -9.346 1.00 0.00 H new ATOM 129 N PRO A 11 8.190 4.945 -4.558 1.00 0.00 N ATOM 130 CA PRO A 11 9.457 4.726 -3.858 1.00 0.00 C ATOM 131 C PRO A 11 9.510 3.338 -3.209 1.00 0.00 C ATOM 132 O PRO A 11 8.499 2.852 -2.707 1.00 0.00 O ATOM 133 CB PRO A 11 9.505 5.828 -2.792 1.00 0.00 C ATOM 134 CG PRO A 11 8.039 6.139 -2.521 1.00 0.00 C ATOM 135 CD PRO A 11 7.441 6.022 -3.918 1.00 0.00 C ATOM 0 HA PRO A 11 10.307 4.766 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.015 5.490 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.040 6.707 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.592 5.432 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.902 7.134 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.377 5.791 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.542 6.956 -4.471 1.00 0.00 H new ATOM 143 N ASN A 12 10.672 2.686 -3.161 1.00 0.00 N ATOM 144 CA ASN A 12 10.779 1.404 -2.462 1.00 0.00 C ATOM 145 C ASN A 12 10.849 1.651 -0.945 1.00 0.00 C ATOM 146 O ASN A 12 11.437 2.641 -0.496 1.00 0.00 O ATOM 147 CB ASN A 12 11.991 0.618 -2.987 1.00 0.00 C ATOM 148 CG ASN A 12 11.901 0.285 -4.470 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.777 0.619 -5.255 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.848 -0.366 -4.913 1.00 0.00 N ATOM 0 H ASN A 12 11.537 3.016 -3.589 1.00 0.00 H new ATOM 0 HA ASN A 12 9.896 0.795 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.896 1.198 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.087 -0.308 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.766 -0.589 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.113 -0.648 -4.265 1.00 0.00 H new ATOM 157 N ARG A 13 10.237 0.765 -0.143 1.00 0.00 N ATOM 158 CA ARG A 13 10.132 0.911 1.326 1.00 0.00 C ATOM 159 C ARG A 13 10.795 -0.210 2.126 1.00 0.00 C ATOM 160 O ARG A 13 10.328 -0.571 3.206 1.00 0.00 O ATOM 161 CB ARG A 13 8.659 1.121 1.729 1.00 0.00 C ATOM 162 CG ARG A 13 7.913 2.277 1.047 1.00 0.00 C ATOM 163 CD ARG A 13 8.615 3.645 1.057 1.00 0.00 C ATOM 164 NE ARG A 13 9.115 4.026 2.395 1.00 0.00 N ATOM 165 CZ ARG A 13 10.355 4.331 2.739 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.359 4.279 1.909 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.617 4.696 3.961 1.00 0.00 N ATOM 0 H ARG A 13 9.795 -0.084 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 13 10.707 1.798 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.116 0.198 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.621 1.281 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.725 1.997 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.942 2.388 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.449 3.625 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.920 4.407 0.704 1.00 0.00 H new ATOM 0 HE ARG A 13 8.421 4.057 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.207 3.992 0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.297 4.525 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.867 4.746 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.572 4.932 4.229 1.00 0.00 H new ATOM 181 N GLY A 14 11.863 -0.795 1.584 1.00 0.00 N ATOM 182 CA GLY A 14 12.604 -1.890 2.230 1.00 0.00 C ATOM 183 C GLY A 14 11.714 -3.090 2.585 1.00 0.00 C ATOM 184 O GLY A 14 11.883 -3.697 3.643 1.00 0.00 O ATOM 0 H GLY A 14 12.245 -0.524 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.403 -2.221 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.078 -1.515 3.137 1.00 0.00 H new ATOM 188 N ASN A 15 10.753 -3.382 1.698 1.00 0.00 N ATOM 189 CA ASN A 15 9.752 -4.457 1.746 1.00 0.00 C ATOM 190 C ASN A 15 8.485 -4.130 2.588 1.00 0.00 C ATOM 191 O ASN A 15 7.639 -5.004 2.781 1.00 0.00 O ATOM 192 CB ASN A 15 10.376 -5.819 2.139 1.00 0.00 C ATOM 193 CG ASN A 15 11.570 -6.317 1.334 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.206 -5.622 0.549 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.916 -7.571 1.514 1.00 0.00 N ATOM 0 H ASN A 15 10.647 -2.821 0.852 1.00 0.00 H new ATOM 0 HA ASN A 15 9.389 -4.541 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.680 -5.758 3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.593 -6.575 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.708 -7.960 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.392 -8.156 2.165 1.00 0.00 H new ATOM 202 N THR A 16 8.310 -2.896 3.085 1.00 0.00 N ATOM 203 CA THR A 16 7.138 -2.500 3.901 1.00 0.00 C ATOM 204 C THR A 16 5.860 -2.432 3.052 1.00 0.00 C ATOM 205 O THR A 16 5.793 -1.612 2.138 1.00 0.00 O ATOM 206 CB THR A 16 7.396 -1.134 4.564 1.00 0.00 C ATOM 207 OG1 THR A 16 8.528 -1.204 5.407 1.00 0.00 O ATOM 208 CG2 THR A 16 6.235 -0.631 5.419 1.00 0.00 C ATOM 0 H THR A 16 8.976 -2.138 2.935 1.00 0.00 H new ATOM 0 HA THR A 16 6.994 -3.259 4.670 1.00 0.00 H new ATOM 0 HB THR A 16 7.541 -0.441 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.335 -1.004 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.494 0.336 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.345 -0.525 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.036 -1.345 6.219 1.00 0.00 H new ATOM 216 N CYS A 17 4.840 -3.255 3.342 1.00 0.00 N ATOM 217 CA CYS A 17 3.570 -3.302 2.606 1.00 0.00 C ATOM 218 C CYS A 17 2.390 -3.021 3.559 1.00 0.00 C ATOM 219 O CYS A 17 2.076 -3.848 4.418 1.00 0.00 O ATOM 220 CB CYS A 17 3.434 -4.677 1.934 1.00 0.00 C ATOM 221 SG CYS A 17 4.827 -5.023 0.820 1.00 0.00 S ATOM 0 H CYS A 17 4.878 -3.921 4.113 1.00 0.00 H new ATOM 0 HA CYS A 17 3.557 -2.532 1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.379 -5.452 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.501 -4.717 1.372 1.00 0.00 H new ATOM 0 HG CYS A 17 5.933 -5.050 1.503 1.00 0.00 H new ATOM 227 N LEU A 18 1.761 -1.847 3.419 1.00 0.00 N ATOM 228 CA LEU A 18 0.675 -1.337 4.273 1.00 0.00 C ATOM 229 C LEU A 18 -0.638 -1.097 3.518 1.00 0.00 C ATOM 230 O LEU A 18 -0.661 -0.667 2.364 1.00 0.00 O ATOM 231 CB LEU A 18 1.142 -0.026 4.946 1.00 0.00 C ATOM 232 CG LEU A 18 1.845 -0.161 6.311 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.912 -1.249 6.369 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.496 1.173 6.679 1.00 0.00 C ATOM 0 H LEU A 18 2.005 -1.195 2.673 1.00 0.00 H new ATOM 0 HA LEU A 18 0.461 -2.105 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.821 0.484 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.273 0.620 5.073 1.00 0.00 H new ATOM 0 HG LEU A 18 1.066 -0.448 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.354 -1.273 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.458 -2.216 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.688 -1.037 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.994 1.081 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.228 1.443 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.731 1.947 6.738 1.00 0.00 H new ATOM 246 N GLU A 19 -1.737 -1.328 4.234 1.00 0.00 N ATOM 247 CA GLU A 19 -3.121 -1.111 3.806 1.00 0.00 C ATOM 248 C GLU A 19 -3.689 0.241 4.269 1.00 0.00 C ATOM 249 O GLU A 19 -4.828 0.553 3.929 1.00 0.00 O ATOM 250 CB GLU A 19 -4.032 -2.239 4.338 1.00 0.00 C ATOM 251 CG GLU A 19 -4.257 -2.303 5.859 1.00 0.00 C ATOM 252 CD GLU A 19 -3.055 -2.870 6.642 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.087 -2.113 6.897 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.083 -4.064 7.026 1.00 0.00 O ATOM 0 H GLU A 19 -1.684 -1.693 5.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.104 -1.112 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.005 -2.143 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.611 -3.192 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.478 -1.301 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.134 -2.918 6.062 1.00 0.00 H new ATOM 261 N ASN A 20 -2.949 1.028 5.060 1.00 0.00 N ATOM 262 CA ASN A 20 -3.412 2.313 5.609 1.00 0.00 C ATOM 263 C ASN A 20 -2.306 3.381 5.714 1.00 0.00 C ATOM 264 O ASN A 20 -1.116 3.065 5.816 1.00 0.00 O ATOM 265 CB ASN A 20 -4.031 2.069 7.007 1.00 0.00 C ATOM 266 CG ASN A 20 -5.495 1.662 6.969 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.317 2.270 6.297 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.883 0.647 7.707 1.00 0.00 N ATOM 0 H ASN A 20 -1.998 0.789 5.342 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.150 2.707 4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.461 1.292 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.932 2.977 7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.865 0.370 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.203 0.136 8.270 1.00 0.00 H new ATOM 275 N GLY A 21 -2.731 4.652 5.746 1.00 0.00 N ATOM 276 CA GLY A 21 -1.880 5.838 5.911 1.00 0.00 C ATOM 277 C GLY A 21 -1.632 6.643 4.627 1.00 0.00 C ATOM 278 O GLY A 21 -2.247 6.393 3.590 1.00 0.00 O ATOM 0 H GLY A 21 -3.718 4.891 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.338 6.495 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.918 5.523 6.316 1.00 0.00 H new ATOM 282 N SER A 22 -0.722 7.618 4.733 1.00 0.00 N ATOM 283 CA SER A 22 -0.241 8.523 3.671 1.00 0.00 C ATOM 284 C SER A 22 1.222 8.877 3.968 1.00 0.00 C ATOM 285 O SER A 22 1.528 9.381 5.051 1.00 0.00 O ATOM 286 CB SER A 22 -1.061 9.818 3.622 1.00 0.00 C ATOM 287 OG SER A 22 -2.371 9.585 3.125 1.00 0.00 O ATOM 0 H SER A 22 -0.267 7.813 5.625 1.00 0.00 H new ATOM 0 HA SER A 22 -0.342 8.019 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.121 10.250 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.555 10.547 2.989 1.00 0.00 H new ATOM 0 HG SER A 22 -3.015 10.117 3.637 1.00 0.00 H new ATOM 293 N PHE A 23 2.144 8.572 3.052 1.00 0.00 N ATOM 294 CA PHE A 23 3.591 8.741 3.253 1.00 0.00 C ATOM 295 C PHE A 23 4.118 10.185 3.178 1.00 0.00 C ATOM 296 O PHE A 23 4.702 10.622 2.185 1.00 0.00 O ATOM 297 CB PHE A 23 4.334 7.782 2.320 1.00 0.00 C ATOM 298 CG PHE A 23 5.824 7.600 2.571 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.370 7.680 3.870 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.671 7.305 1.487 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.750 7.505 4.067 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.054 7.154 1.681 1.00 0.00 C ATOM 303 CZ PHE A 23 8.600 7.293 2.969 1.00 0.00 C ATOM 0 H PHE A 23 1.906 8.195 2.135 1.00 0.00 H new ATOM 0 HA PHE A 23 3.795 8.484 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.856 6.805 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.202 8.133 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.726 7.876 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.254 7.194 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.159 7.534 5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.697 6.931 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.669 7.237 3.114 1.00 0.00 H new ATOM 313 N LEU A 24 3.914 10.945 4.255 1.00 0.00 N ATOM 314 CA LEU A 24 4.290 12.358 4.375 1.00 0.00 C ATOM 315 C LEU A 24 5.753 12.700 4.020 1.00 0.00 C ATOM 316 O LEU A 24 6.025 13.803 3.544 1.00 0.00 O ATOM 317 CB LEU A 24 3.937 12.873 5.781 1.00 0.00 C ATOM 318 CG LEU A 24 2.480 12.657 6.244 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.242 13.412 7.552 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.437 13.122 5.225 1.00 0.00 C ATOM 0 H LEU A 24 3.467 10.583 5.098 1.00 0.00 H new ATOM 0 HA LEU A 24 3.705 12.873 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.599 12.389 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.153 13.941 5.818 1.00 0.00 H new ATOM 0 HG LEU A 24 2.358 11.581 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.213 13.259 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.924 13.040 8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.419 14.476 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.437 12.939 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.563 14.188 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.567 12.571 4.294 1.00 0.00 H new ATOM 332 N LEU A 25 6.694 11.767 4.213 1.00 0.00 N ATOM 333 CA LEU A 25 8.113 11.949 3.860 1.00 0.00 C ATOM 334 C LEU A 25 8.365 11.970 2.337 1.00 0.00 C ATOM 335 O LEU A 25 9.386 12.505 1.901 1.00 0.00 O ATOM 336 CB LEU A 25 8.973 10.867 4.540 1.00 0.00 C ATOM 337 CG LEU A 25 8.994 10.906 6.082 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.963 9.846 6.611 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.437 12.259 6.645 1.00 0.00 C ATOM 0 H LEU A 25 6.493 10.855 4.622 1.00 0.00 H new ATOM 0 HA LEU A 25 8.405 12.932 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.611 9.889 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.997 10.961 4.178 1.00 0.00 H new ATOM 0 HG LEU A 25 7.970 10.719 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.976 9.876 7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.640 8.859 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.965 10.047 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.430 12.220 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.445 12.486 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.752 13.036 6.306 1.00 0.00 H new ATOM 351 N ASN A 26 7.436 11.451 1.524 1.00 0.00 N ATOM 352 CA ASN A 26 7.495 11.497 0.058 1.00 0.00 C ATOM 353 C ASN A 26 6.546 12.584 -0.460 1.00 0.00 C ATOM 354 O ASN A 26 6.857 13.238 -1.449 1.00 0.00 O ATOM 355 CB ASN A 26 7.121 10.117 -0.506 1.00 0.00 C ATOM 356 CG ASN A 26 7.327 10.023 -2.013 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.201 10.642 -2.586 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.561 9.243 -2.726 1.00 0.00 N ATOM 0 H ASN A 26 6.604 10.977 1.875 1.00 0.00 H new ATOM 0 HA ASN A 26 8.505 11.743 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.721 9.352 -0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.078 9.904 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.706 9.168 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.817 8.709 -2.276 1.00 0.00 H new ATOM 365 N PHE A 27 5.411 12.815 0.207 1.00 0.00 N ATOM 366 CA PHE A 27 4.496 13.901 -0.162 1.00 0.00 C ATOM 367 C PHE A 27 5.167 15.259 0.077 1.00 0.00 C ATOM 368 O PHE A 27 5.354 15.685 1.219 1.00 0.00 O ATOM 369 CB PHE A 27 3.176 13.819 0.612 1.00 0.00 C ATOM 370 CG PHE A 27 2.139 14.873 0.227 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.680 14.989 -1.103 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.602 15.722 1.214 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.667 15.913 -1.440 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.587 16.639 0.881 1.00 0.00 C ATOM 375 CZ PHE A 27 0.109 16.722 -0.438 1.00 0.00 C ATOM 0 H PHE A 27 5.103 12.263 1.007 1.00 0.00 H new ATOM 0 HA PHE A 27 4.264 13.794 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.743 12.831 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.389 13.912 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.109 14.363 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.969 15.670 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.324 15.997 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.173 17.282 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.688 17.409 -0.681 1.00 0.00 H new ATOM 385 N THR A 28 5.512 15.963 -0.995 1.00 0.00 N ATOM 386 CA THR A 28 6.147 17.298 -0.947 1.00 0.00 C ATOM 387 C THR A 28 5.113 18.430 -0.951 1.00 0.00 C ATOM 388 O THR A 28 5.464 19.607 -1.056 1.00 0.00 O ATOM 389 CB THR A 28 7.157 17.476 -2.098 1.00 0.00 C ATOM 390 OG1 THR A 28 6.638 17.056 -3.344 1.00 0.00 O ATOM 391 CG2 THR A 28 8.401 16.632 -1.831 1.00 0.00 C ATOM 0 H THR A 28 5.360 15.626 -1.946 1.00 0.00 H new ATOM 0 HA THR A 28 6.689 17.357 -0.003 1.00 0.00 H new ATOM 0 HB THR A 28 7.386 18.541 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.313 17.190 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.111 16.762 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.862 16.949 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.119 15.581 -1.759 1.00 0.00 H new ATOM 399 N GLY A 29 3.830 18.071 -0.852 1.00 0.00 N ATOM 400 CA GLY A 29 2.690 18.974 -0.939 1.00 0.00 C ATOM 401 C GLY A 29 2.187 19.029 -2.387 1.00 0.00 C ATOM 402 O GLY A 29 2.970 18.833 -3.323 1.00 0.00 O ATOM 0 H GLY A 29 3.551 17.101 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.892 18.634 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.977 19.971 -0.605 1.00 0.00 H new ATOM 406 N CYS A 30 0.892 19.288 -2.553 1.00 0.00 N ATOM 407 CA CYS A 30 0.189 19.341 -3.827 1.00 0.00 C ATOM 408 C CYS A 30 0.824 20.283 -4.857 1.00 0.00 C ATOM 409 O CYS A 30 1.671 21.133 -4.549 1.00 0.00 O ATOM 410 CB CYS A 30 -1.281 19.732 -3.561 1.00 0.00 C ATOM 411 SG CYS A 30 -2.410 19.267 -4.936 1.00 0.00 S ATOM 0 H CYS A 30 0.276 19.476 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 30 0.255 18.350 -4.275 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.618 19.251 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.341 20.808 -3.398 1.00 0.00 H new ATOM 416 N ALA A 31 0.331 20.180 -6.079 1.00 0.00 N ATOM 417 CA ALA A 31 0.649 21.090 -7.170 1.00 0.00 C ATOM 418 C ALA A 31 -0.613 21.672 -7.835 1.00 0.00 C ATOM 419 O ALA A 31 -0.495 22.670 -8.557 1.00 0.00 O ATOM 420 CB ALA A 31 1.631 20.464 -8.161 1.00 0.00 C ATOM 0 H ALA A 31 -0.319 19.442 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 31 1.165 21.948 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.843 21.174 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.557 20.211 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.193 19.560 -8.585 1.00 0.00 H new ATOM 426 N VAL A 32 -1.816 21.149 -7.552 1.00 0.00 N ATOM 427 CA VAL A 32 -3.070 21.764 -8.012 1.00 0.00 C ATOM 428 C VAL A 32 -3.342 23.033 -7.186 1.00 0.00 C ATOM 429 O VAL A 32 -3.832 24.025 -7.738 1.00 0.00 O ATOM 430 CB VAL A 32 -4.270 20.781 -7.957 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.652 21.445 -8.102 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.204 19.753 -9.096 1.00 0.00 C ATOM 0 H VAL A 32 -1.946 20.298 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.955 22.033 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.178 20.332 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.429 20.682 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.797 22.164 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.710 21.959 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.059 19.080 -9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.225 20.271 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.282 19.178 -9.014 1.00 0.00 H new ATOM 442 N CYS A 33 -2.993 23.023 -5.892 1.00 0.00 N ATOM 443 CA CYS A 33 -3.188 24.122 -4.940 1.00 0.00 C ATOM 444 C CYS A 33 -1.958 24.511 -4.081 1.00 0.00 C ATOM 445 O CYS A 33 -1.942 25.611 -3.513 1.00 0.00 O ATOM 446 CB CYS A 33 -4.339 23.728 -4.015 1.00 0.00 C ATOM 447 SG CYS A 33 -3.841 22.325 -2.959 1.00 0.00 S ATOM 0 H CYS A 33 -2.547 22.212 -5.463 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.392 25.009 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.624 24.577 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.214 23.456 -4.605 1.00 0.00 H new ATOM 452 N SER A 34 -0.935 23.649 -3.993 1.00 0.00 N ATOM 453 CA SER A 34 0.317 23.846 -3.228 1.00 0.00 C ATOM 454 C SER A 34 0.249 23.560 -1.705 1.00 0.00 C ATOM 455 O SER A 34 1.162 23.962 -0.972 1.00 0.00 O ATOM 456 CB SER A 34 0.958 25.215 -3.540 1.00 0.00 C ATOM 457 OG SER A 34 2.365 25.196 -3.341 1.00 0.00 O ATOM 0 H SER A 34 -0.953 22.750 -4.475 1.00 0.00 H new ATOM 0 HA SER A 34 0.974 23.057 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.740 25.492 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.511 25.979 -2.904 1.00 0.00 H new ATOM 0 HG SER A 34 2.567 24.783 -2.476 1.00 0.00 H new ATOM 463 N LYS A 35 -0.780 22.873 -1.182 1.00 0.00 N ATOM 464 CA LYS A 35 -0.899 22.539 0.262 1.00 0.00 C ATOM 465 C LYS A 35 -0.092 21.292 0.656 1.00 0.00 C ATOM 466 O LYS A 35 0.030 20.355 -0.129 1.00 0.00 O ATOM 467 CB LYS A 35 -2.377 22.316 0.615 1.00 0.00 C ATOM 468 CG LYS A 35 -3.142 23.645 0.756 1.00 0.00 C ATOM 469 CD LYS A 35 -3.683 23.804 2.181 1.00 0.00 C ATOM 470 CE LYS A 35 -4.463 25.109 2.396 1.00 0.00 C ATOM 471 NZ LYS A 35 -3.588 26.312 2.363 1.00 0.00 N ATOM 0 H LYS A 35 -1.559 22.529 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.488 23.381 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.847 21.707 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.447 21.757 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.482 24.479 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.966 23.675 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.332 22.959 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.851 23.767 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.229 25.201 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.979 25.066 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.164 27.165 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.872 26.241 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.115 26.372 1.439 1.00 0.00 H new ATOM 485 N ARG A 36 0.402 21.236 1.901 1.00 0.00 N ATOM 486 CA ARG A 36 1.127 20.084 2.493 1.00 0.00 C ATOM 487 C ARG A 36 0.436 19.633 3.791 1.00 0.00 C ATOM 488 O ARG A 36 -0.350 20.393 4.347 1.00 0.00 O ATOM 489 CB ARG A 36 2.618 20.411 2.663 1.00 0.00 C ATOM 490 CG ARG A 36 3.433 19.129 2.913 1.00 0.00 C ATOM 491 CD ARG A 36 4.914 19.326 2.611 1.00 0.00 C ATOM 492 NE ARG A 36 5.638 18.044 2.741 1.00 0.00 N ATOM 493 CZ ARG A 36 6.732 17.776 3.426 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.407 18.690 4.065 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.169 16.551 3.477 1.00 0.00 N ATOM 0 H ARG A 36 0.309 22.015 2.553 1.00 0.00 H new ATOM 0 HA ARG A 36 1.087 19.233 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.989 20.915 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.751 21.101 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.313 18.820 3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.041 18.323 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.037 19.721 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.337 20.062 3.295 1.00 0.00 H new ATOM 0 HE ARG A 36 5.236 17.258 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.094 19.661 4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.248 18.435 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.666 15.809 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.014 16.333 4.004 1.00 0.00 H new ATOM 509 N ASP A 37 0.691 18.400 4.248 1.00 0.00 N ATOM 510 CA ASP A 37 0.060 17.751 5.424 1.00 0.00 C ATOM 511 C ASP A 37 -1.487 17.767 5.425 1.00 0.00 C ATOM 512 O ASP A 37 -2.159 17.718 6.458 1.00 0.00 O ATOM 513 CB ASP A 37 0.710 18.191 6.742 1.00 0.00 C ATOM 514 CG ASP A 37 0.536 19.668 7.150 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.477 20.016 7.807 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.469 20.472 6.904 1.00 0.00 O ATOM 0 H ASP A 37 1.373 17.793 3.793 1.00 0.00 H new ATOM 0 HA ASP A 37 0.279 16.688 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.308 17.569 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.778 17.980 6.680 1.00 0.00 H new ATOM 521 N PHE A 38 -2.036 17.815 4.215 1.00 0.00 N ATOM 522 CA PHE A 38 -3.449 17.890 3.854 1.00 0.00 C ATOM 523 C PHE A 38 -3.850 16.723 2.946 1.00 0.00 C ATOM 524 O PHE A 38 -3.639 16.757 1.736 1.00 0.00 O ATOM 525 CB PHE A 38 -3.752 19.244 3.188 1.00 0.00 C ATOM 526 CG PHE A 38 -4.174 20.365 4.125 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.408 20.727 5.251 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.372 21.053 3.861 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.816 21.797 6.069 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.775 22.132 4.668 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.992 22.507 5.773 1.00 0.00 C ATOM 0 H PHE A 38 -1.447 17.801 3.383 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.044 17.812 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.864 19.566 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.541 19.096 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.506 20.182 5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.990 20.749 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.223 22.074 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.683 22.670 4.439 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.293 23.338 6.393 1.00 0.00 H new ATOM 541 N MET A 39 -4.467 15.699 3.536 1.00 0.00 N ATOM 542 CA MET A 39 -4.969 14.531 2.797 1.00 0.00 C ATOM 543 C MET A 39 -6.047 13.711 3.524 1.00 0.00 C ATOM 544 O MET A 39 -6.070 13.604 4.750 1.00 0.00 O ATOM 545 CB MET A 39 -3.835 13.592 2.333 1.00 0.00 C ATOM 546 CG MET A 39 -2.750 13.320 3.387 1.00 0.00 C ATOM 547 SD MET A 39 -1.121 14.039 3.040 1.00 0.00 S ATOM 548 CE MET A 39 -0.706 13.156 1.509 1.00 0.00 C ATOM 0 H MET A 39 -4.635 15.652 4.541 1.00 0.00 H new ATOM 0 HA MET A 39 -5.451 14.978 1.928 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.272 12.641 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.364 14.024 1.450 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.098 13.701 4.347 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.636 12.241 3.494 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.361 12.932 1.496 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.273 12.226 1.460 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.956 13.779 0.650 1.00 0.00 H new ATOM 558 N LEU A 40 -6.905 13.110 2.699 1.00 0.00 N ATOM 559 CA LEU A 40 -8.046 12.229 2.969 1.00 0.00 C ATOM 560 C LEU A 40 -7.907 10.935 2.141 1.00 0.00 C ATOM 561 O LEU A 40 -7.127 10.874 1.187 1.00 0.00 O ATOM 562 CB LEU A 40 -9.344 12.974 2.561 1.00 0.00 C ATOM 563 CG LEU A 40 -10.069 13.839 3.610 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.101 13.005 4.376 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.172 14.482 4.652 1.00 0.00 C ATOM 0 H LEU A 40 -6.803 13.247 1.693 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.080 11.969 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.102 13.617 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.053 12.228 2.203 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.522 14.635 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.602 13.633 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.837 12.606 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.599 12.182 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.778 15.068 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.642 13.706 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.451 15.134 4.159 1.00 0.00 H new ATOM 577 N ILE A 41 -8.706 9.920 2.476 1.00 0.00 N ATOM 578 CA ILE A 41 -8.799 8.625 1.788 1.00 0.00 C ATOM 579 C ILE A 41 -10.280 8.389 1.474 1.00 0.00 C ATOM 580 O ILE A 41 -11.140 8.570 2.341 1.00 0.00 O ATOM 581 CB ILE A 41 -8.206 7.497 2.672 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.667 7.648 2.767 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.590 6.091 2.152 1.00 0.00 C ATOM 584 CD1 ILE A 41 -6.000 6.740 3.812 1.00 0.00 C ATOM 0 H ILE A 41 -9.338 9.979 3.274 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.221 8.625 0.864 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.634 7.596 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.233 7.436 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.430 8.686 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.154 5.331 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.675 5.987 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.212 5.962 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.924 6.912 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.402 6.966 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.201 5.697 3.569 1.00 0.00 H new ATOM 596 N THR A 42 -10.584 7.979 0.241 1.00 0.00 N ATOM 597 CA THR A 42 -11.958 7.683 -0.207 1.00 0.00 C ATOM 598 C THR A 42 -11.987 6.545 -1.230 1.00 0.00 C ATOM 599 O THR A 42 -10.935 6.098 -1.691 1.00 0.00 O ATOM 600 CB THR A 42 -12.657 8.953 -0.735 1.00 0.00 C ATOM 601 OG1 THR A 42 -14.043 8.825 -0.492 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.493 9.198 -2.237 1.00 0.00 C ATOM 0 H THR A 42 -9.882 7.840 -0.485 1.00 0.00 H new ATOM 0 HA THR A 42 -12.522 7.339 0.660 1.00 0.00 H new ATOM 0 HB THR A 42 -12.190 9.790 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.508 9.624 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.018 10.112 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.434 9.300 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.910 8.357 -2.791 1.00 0.00 H new ATOM 610 N ASN A 43 -13.186 6.078 -1.596 1.00 0.00 N ATOM 611 CA ASN A 43 -13.473 5.001 -2.568 1.00 0.00 C ATOM 612 C ASN A 43 -12.807 3.636 -2.257 1.00 0.00 C ATOM 613 O ASN A 43 -12.788 2.726 -3.088 1.00 0.00 O ATOM 614 CB ASN A 43 -13.294 5.554 -4.008 1.00 0.00 C ATOM 615 CG ASN A 43 -12.111 5.033 -4.814 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.260 4.480 -5.896 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.908 5.217 -4.332 1.00 0.00 N ATOM 0 H ASN A 43 -14.043 6.464 -1.198 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.519 4.712 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.204 5.339 -4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.208 6.639 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.094 4.900 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.785 5.678 -3.430 1.00 0.00 H new ATOM 624 N LYS A 44 -12.263 3.506 -1.040 1.00 0.00 N ATOM 625 CA LYS A 44 -11.541 2.354 -0.499 1.00 0.00 C ATOM 626 C LYS A 44 -12.298 1.034 -0.638 1.00 0.00 C ATOM 627 O LYS A 44 -13.329 0.819 0.005 1.00 0.00 O ATOM 628 CB LYS A 44 -11.202 2.648 0.966 1.00 0.00 C ATOM 629 CG LYS A 44 -10.152 1.673 1.521 1.00 0.00 C ATOM 630 CD LYS A 44 -9.169 2.394 2.441 1.00 0.00 C ATOM 631 CE LYS A 44 -8.079 1.440 2.918 1.00 0.00 C ATOM 632 NZ LYS A 44 -6.994 2.193 3.583 1.00 0.00 N ATOM 0 H LYS A 44 -12.322 4.263 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.632 2.218 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.831 3.669 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.109 2.585 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.648 0.872 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.611 1.208 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.718 3.234 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.701 2.805 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.501 0.711 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.678 0.882 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.078 1.758 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.002 3.179 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.138 2.172 4.613 1.00 0.00 H new ATOM 646 N SER A 45 -11.759 0.159 -1.475 1.00 0.00 N ATOM 647 CA SER A 45 -12.269 -1.180 -1.740 1.00 0.00 C ATOM 648 C SER A 45 -11.395 -2.272 -1.122 1.00 0.00 C ATOM 649 O SER A 45 -10.193 -2.097 -0.903 1.00 0.00 O ATOM 650 CB SER A 45 -12.386 -1.385 -3.256 1.00 0.00 C ATOM 651 OG SER A 45 -13.394 -0.543 -3.797 1.00 0.00 O ATOM 0 H SER A 45 -10.918 0.372 -2.011 1.00 0.00 H new ATOM 0 HA SER A 45 -13.250 -1.263 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.430 -1.169 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.621 -2.427 -3.471 1.00 0.00 H new ATOM 0 HG SER A 45 -13.454 -0.685 -4.765 1.00 0.00 H new ATOM 657 N LEU A 46 -12.009 -3.430 -0.884 1.00 0.00 N ATOM 658 CA LEU A 46 -11.384 -4.637 -0.348 1.00 0.00 C ATOM 659 C LEU A 46 -11.935 -5.867 -1.079 1.00 0.00 C ATOM 660 O LEU A 46 -13.138 -5.958 -1.347 1.00 0.00 O ATOM 661 CB LEU A 46 -11.568 -4.705 1.180 1.00 0.00 C ATOM 662 CG LEU A 46 -11.123 -6.053 1.807 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.498 -5.831 3.186 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.284 -7.035 1.995 1.00 0.00 C ATOM 0 H LEU A 46 -13.004 -3.558 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.309 -4.613 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.001 -3.896 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.618 -4.534 1.418 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.403 -6.475 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.194 -6.790 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.626 -5.184 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.228 -5.361 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.911 -7.959 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.031 -6.593 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.737 -7.253 1.028 1.00 0.00 H new ATOM 676 N LYS A 47 -11.042 -6.801 -1.410 1.00 0.00 N ATOM 677 CA LYS A 47 -11.314 -8.046 -2.131 1.00 0.00 C ATOM 678 C LYS A 47 -10.671 -9.233 -1.435 1.00 0.00 C ATOM 679 O LYS A 47 -9.599 -9.096 -0.854 1.00 0.00 O ATOM 680 CB LYS A 47 -10.788 -7.941 -3.568 1.00 0.00 C ATOM 681 CG LYS A 47 -11.741 -8.577 -4.581 1.00 0.00 C ATOM 682 CD LYS A 47 -11.197 -8.476 -6.012 1.00 0.00 C ATOM 683 CE LYS A 47 -12.171 -9.153 -6.984 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.691 -9.075 -8.389 1.00 0.00 N ATOM 0 H LYS A 47 -10.056 -6.704 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.393 -8.201 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.638 -6.892 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.815 -8.427 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.899 -9.625 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.712 -8.086 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.062 -7.430 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.218 -8.951 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.300 -10.198 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.150 -8.679 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.376 -9.543 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.592 -8.078 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.769 -9.549 -8.468 1.00 0.00 H new ATOM 698 N GLU A 48 -11.302 -10.397 -1.495 1.00 0.00 N ATOM 699 CA GLU A 48 -10.722 -11.620 -0.926 1.00 0.00 C ATOM 700 C GLU A 48 -10.955 -12.821 -1.860 1.00 0.00 C ATOM 701 O GLU A 48 -12.094 -13.236 -2.084 1.00 0.00 O ATOM 702 CB GLU A 48 -11.344 -11.896 0.455 1.00 0.00 C ATOM 703 CG GLU A 48 -11.116 -10.799 1.502 1.00 0.00 C ATOM 704 CD GLU A 48 -11.738 -11.212 2.852 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.088 -11.951 3.630 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.894 -10.813 3.140 1.00 0.00 O ATOM 0 H GLU A 48 -12.215 -10.527 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.647 -11.477 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.417 -12.040 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.939 -12.832 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.048 -10.620 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.558 -9.863 1.161 1.00 0.00 H new ATOM 713 N GLU A 49 -9.871 -13.403 -2.386 1.00 0.00 N ATOM 714 CA GLU A 49 -9.880 -14.617 -3.215 1.00 0.00 C ATOM 715 C GLU A 49 -9.085 -15.775 -2.597 1.00 0.00 C ATOM 716 O GLU A 49 -7.873 -15.675 -2.456 1.00 0.00 O ATOM 717 CB GLU A 49 -9.350 -14.329 -4.630 1.00 0.00 C ATOM 718 CG GLU A 49 -10.143 -13.273 -5.422 1.00 0.00 C ATOM 719 CD GLU A 49 -11.620 -13.645 -5.678 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.954 -14.849 -5.800 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.456 -12.718 -5.813 1.00 0.00 O ATOM 0 H GLU A 49 -8.932 -13.031 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.923 -14.927 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.314 -14.000 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.348 -15.260 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.108 -12.328 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.651 -13.110 -6.381 1.00 0.00 H new ATOM 728 N ASP A 50 -9.713 -16.923 -2.350 1.00 0.00 N ATOM 729 CA ASP A 50 -9.073 -18.188 -1.912 1.00 0.00 C ATOM 730 C ASP A 50 -8.000 -18.125 -0.784 1.00 0.00 C ATOM 731 O ASP A 50 -7.163 -19.021 -0.651 1.00 0.00 O ATOM 732 CB ASP A 50 -8.523 -18.857 -3.190 1.00 0.00 C ATOM 733 CG ASP A 50 -8.259 -20.368 -3.036 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.138 -21.092 -2.507 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.199 -20.853 -3.504 1.00 0.00 O ATOM 0 H ASP A 50 -10.724 -17.014 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.847 -18.768 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.232 -18.702 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.595 -18.363 -3.477 1.00 0.00 H new ATOM 740 N GLY A 51 -7.998 -17.059 0.020 1.00 0.00 N ATOM 741 CA GLY A 51 -7.032 -16.781 1.102 1.00 0.00 C ATOM 742 C GLY A 51 -6.240 -15.482 0.893 1.00 0.00 C ATOM 743 O GLY A 51 -5.734 -14.904 1.855 1.00 0.00 O ATOM 0 H GLY A 51 -8.702 -16.326 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.566 -16.724 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.334 -17.615 1.179 1.00 0.00 H new ATOM 747 N GLU A 52 -6.161 -14.993 -0.346 1.00 0.00 N ATOM 748 CA GLU A 52 -5.550 -13.713 -0.713 1.00 0.00 C ATOM 749 C GLU A 52 -6.489 -12.574 -0.297 1.00 0.00 C ATOM 750 O GLU A 52 -7.696 -12.646 -0.527 1.00 0.00 O ATOM 751 CB GLU A 52 -5.278 -13.675 -2.236 1.00 0.00 C ATOM 752 CG GLU A 52 -4.730 -12.345 -2.793 1.00 0.00 C ATOM 753 CD GLU A 52 -4.580 -12.333 -4.334 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.043 -13.268 -5.036 1.00 0.00 O ATOM 755 OE2 GLU A 52 -4.010 -11.352 -4.874 1.00 0.00 O ATOM 0 H GLU A 52 -6.534 -15.496 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.597 -13.594 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.569 -14.467 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.207 -13.909 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.395 -11.534 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.759 -12.144 -2.340 1.00 0.00 H new ATOM 762 N GLU A 53 -5.939 -11.504 0.269 1.00 0.00 N ATOM 763 CA GLU A 53 -6.648 -10.289 0.665 1.00 0.00 C ATOM 764 C GLU A 53 -6.089 -9.108 -0.133 1.00 0.00 C ATOM 765 O GLU A 53 -4.876 -8.912 -0.186 1.00 0.00 O ATOM 766 CB GLU A 53 -6.500 -10.028 2.175 1.00 0.00 C ATOM 767 CG GLU A 53 -7.113 -11.134 3.046 1.00 0.00 C ATOM 768 CD GLU A 53 -7.036 -10.772 4.542 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.733 -9.826 4.985 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.285 -11.438 5.298 1.00 0.00 O ATOM 0 H GLU A 53 -4.941 -11.457 0.474 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.710 -10.412 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.442 -9.929 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.974 -9.077 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.153 -11.291 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.588 -12.073 2.869 1.00 0.00 H new ATOM 777 N ILE A 54 -6.949 -8.307 -0.759 1.00 0.00 N ATOM 778 CA ILE A 54 -6.550 -7.166 -1.578 1.00 0.00 C ATOM 779 C ILE A 54 -7.226 -5.904 -1.049 1.00 0.00 C ATOM 780 O ILE A 54 -8.407 -5.934 -0.705 1.00 0.00 O ATOM 781 CB ILE A 54 -6.902 -7.395 -3.067 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.339 -8.723 -3.632 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.325 -6.223 -3.870 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.341 -9.887 -3.595 1.00 0.00 C ATOM 0 H ILE A 54 -7.960 -8.436 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.468 -7.048 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.987 -7.457 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.021 -8.563 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.452 -9.002 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.558 -6.356 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.763 -5.289 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.244 -6.189 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.874 -10.782 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.641 -10.076 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.219 -9.630 -4.188 1.00 0.00 H new ATOM 796 N VAL A 55 -6.495 -4.791 -1.014 1.00 0.00 N ATOM 797 CA VAL A 55 -6.993 -3.480 -0.588 1.00 0.00 C ATOM 798 C VAL A 55 -6.563 -2.438 -1.613 1.00 0.00 C ATOM 799 O VAL A 55 -5.369 -2.211 -1.813 1.00 0.00 O ATOM 800 CB VAL A 55 -6.422 -3.118 0.798 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.976 -1.784 1.304 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.724 -4.206 1.836 1.00 0.00 C ATOM 0 H VAL A 55 -5.513 -4.774 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.080 -3.507 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.343 -3.034 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.552 -1.562 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.711 -0.991 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.061 -1.848 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.306 -3.915 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.803 -4.329 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.278 -5.148 1.516 1.00 0.00 H new ATOM 812 N THR A 56 -7.526 -1.786 -2.258 1.00 0.00 N ATOM 813 CA THR A 56 -7.275 -0.712 -3.233 1.00 0.00 C ATOM 814 C THR A 56 -7.964 0.594 -2.827 1.00 0.00 C ATOM 815 O THR A 56 -9.135 0.585 -2.443 1.00 0.00 O ATOM 816 CB THR A 56 -7.580 -1.160 -4.670 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.960 -1.398 -4.863 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.843 -2.461 -5.020 1.00 0.00 C ATOM 0 H THR A 56 -8.517 -1.986 -2.122 1.00 0.00 H new ATOM 0 HA THR A 56 -6.207 -0.492 -3.222 1.00 0.00 H new ATOM 0 HB THR A 56 -7.245 -0.346 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.117 -1.679 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.081 -2.750 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.768 -2.307 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.156 -3.251 -4.338 1.00 0.00 H new ATOM 826 N TYR A 57 -7.270 1.730 -2.899 1.00 0.00 N ATOM 827 CA TYR A 57 -7.834 3.048 -2.565 1.00 0.00 C ATOM 828 C TYR A 57 -7.130 4.210 -3.285 1.00 0.00 C ATOM 829 O TYR A 57 -6.275 4.011 -4.151 1.00 0.00 O ATOM 830 CB TYR A 57 -7.877 3.248 -1.039 1.00 0.00 C ATOM 831 CG TYR A 57 -6.567 3.301 -0.270 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.986 2.104 0.191 1.00 0.00 C ATOM 833 CD2 TYR A 57 -6.004 4.538 0.102 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.872 2.144 1.051 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.886 4.582 0.958 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.327 3.384 1.453 1.00 0.00 C ATOM 837 OH TYR A 57 -3.315 3.422 2.361 1.00 0.00 O ATOM 0 H TYR A 57 -6.294 1.767 -3.192 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.858 3.060 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.413 4.177 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.475 2.440 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.396 1.153 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.432 5.457 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.432 1.223 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.456 5.533 1.236 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.057 4.353 2.525 1.00 0.00 H new ATOM 847 N ASP A 58 -7.461 5.440 -2.888 1.00 0.00 N ATOM 848 CA ASP A 58 -6.930 6.673 -3.459 1.00 0.00 C ATOM 849 C ASP A 58 -6.710 7.690 -2.322 1.00 0.00 C ATOM 850 O ASP A 58 -7.367 7.627 -1.277 1.00 0.00 O ATOM 851 CB ASP A 58 -8.000 7.276 -4.409 1.00 0.00 C ATOM 852 CG ASP A 58 -8.265 6.539 -5.740 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.523 5.313 -5.751 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.308 7.220 -6.792 1.00 0.00 O ATOM 0 H ASP A 58 -8.128 5.608 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.000 6.466 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.941 7.334 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.704 8.299 -4.643 1.00 0.00 H new ATOM 859 N HIS A 59 -5.840 8.673 -2.560 1.00 0.00 N ATOM 860 CA HIS A 59 -5.535 9.773 -1.638 1.00 0.00 C ATOM 861 C HIS A 59 -6.062 11.073 -2.258 1.00 0.00 C ATOM 862 O HIS A 59 -5.950 11.267 -3.467 1.00 0.00 O ATOM 863 CB HIS A 59 -4.023 9.891 -1.376 1.00 0.00 C ATOM 864 CG HIS A 59 -3.327 8.645 -0.865 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.942 8.397 0.438 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.743 7.669 -1.636 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.139 7.318 0.439 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.987 6.835 -0.802 1.00 0.00 N ATOM 0 H HIS A 59 -5.309 8.729 -3.429 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.014 9.579 -0.679 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.539 10.197 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.863 10.692 -0.654 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.219 8.938 1.257 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.849 7.563 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.679 6.897 1.321 1.00 0.00 H new ATOM 876 N LEU A 60 -6.637 11.968 -1.455 1.00 0.00 N ATOM 877 CA LEU A 60 -7.260 13.217 -1.907 1.00 0.00 C ATOM 878 C LEU A 60 -6.788 14.395 -1.065 1.00 0.00 C ATOM 879 O LEU A 60 -6.800 14.310 0.160 1.00 0.00 O ATOM 880 CB LEU A 60 -8.799 13.151 -1.808 1.00 0.00 C ATOM 881 CG LEU A 60 -9.497 12.289 -2.871 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.531 10.807 -2.503 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.957 12.719 -3.013 1.00 0.00 C ATOM 0 H LEU A 60 -6.685 11.843 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.965 13.353 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.066 12.768 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.193 14.165 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.926 12.429 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.036 10.248 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.512 10.436 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.069 10.678 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.446 12.104 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.467 12.595 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.000 13.766 -3.314 1.00 0.00 H new ATOM 895 N CYS A 61 -6.422 15.494 -1.716 1.00 0.00 N ATOM 896 CA CYS A 61 -5.996 16.730 -1.071 1.00 0.00 C ATOM 897 C CYS A 61 -7.107 17.274 -0.155 1.00 0.00 C ATOM 898 O CYS A 61 -8.230 17.517 -0.597 1.00 0.00 O ATOM 899 CB CYS A 61 -5.613 17.689 -2.211 1.00 0.00 C ATOM 900 SG CYS A 61 -4.609 19.098 -1.652 1.00 0.00 S ATOM 0 H CYS A 61 -6.413 15.551 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.140 16.586 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.061 17.137 -2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.521 18.063 -2.684 1.00 0.00 H new ATOM 905 N LYS A 62 -6.835 17.484 1.138 1.00 0.00 N ATOM 906 CA LYS A 62 -7.832 18.037 2.083 1.00 0.00 C ATOM 907 C LYS A 62 -8.259 19.473 1.692 1.00 0.00 C ATOM 908 O LYS A 62 -9.257 19.979 2.210 1.00 0.00 O ATOM 909 CB LYS A 62 -7.270 17.927 3.521 1.00 0.00 C ATOM 910 CG LYS A 62 -7.964 18.729 4.635 1.00 0.00 C ATOM 911 CD LYS A 62 -9.415 18.297 4.886 1.00 0.00 C ATOM 912 CE LYS A 62 -10.170 19.270 5.803 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.410 20.586 5.152 1.00 0.00 N ATOM 0 H LYS A 62 -5.930 17.281 1.563 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.751 17.453 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.289 16.875 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.224 18.231 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.396 18.620 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.948 19.787 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.938 18.222 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.422 17.303 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.125 18.829 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.600 19.419 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.885 21.326 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.086 20.549 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.427 20.804 5.175 1.00 0.00 H new ATOM 927 N ASN A 63 -7.541 20.125 0.771 1.00 0.00 N ATOM 928 CA ASN A 63 -7.826 21.476 0.307 1.00 0.00 C ATOM 929 C ASN A 63 -8.665 21.469 -0.984 1.00 0.00 C ATOM 930 O ASN A 63 -9.833 21.868 -0.949 1.00 0.00 O ATOM 931 CB ASN A 63 -6.502 22.226 0.129 1.00 0.00 C ATOM 932 CG ASN A 63 -6.738 23.626 -0.407 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.438 24.431 0.192 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.168 23.970 -1.532 1.00 0.00 N ATOM 0 H ASN A 63 -6.725 19.712 0.319 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.429 21.994 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.980 22.282 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.857 21.675 -0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.307 24.908 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.584 23.301 -2.033 1.00 0.00 H new ATOM 941 N CYS A 64 -8.096 21.013 -2.105 1.00 0.00 N ATOM 942 CA CYS A 64 -8.754 20.991 -3.414 1.00 0.00 C ATOM 943 C CYS A 64 -9.492 19.675 -3.753 1.00 0.00 C ATOM 944 O CYS A 64 -10.192 19.605 -4.771 1.00 0.00 O ATOM 945 CB CYS A 64 -7.727 21.401 -4.495 1.00 0.00 C ATOM 946 SG CYS A 64 -6.217 20.367 -4.556 1.00 0.00 S ATOM 0 H CYS A 64 -7.146 20.642 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.565 21.719 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.214 21.365 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.434 22.437 -4.323 1.00 0.00 H new ATOM 951 N HIS A 65 -9.374 18.636 -2.912 1.00 0.00 N ATOM 952 CA HIS A 65 -9.963 17.288 -3.090 1.00 0.00 C ATOM 953 C HIS A 65 -9.636 16.607 -4.425 1.00 0.00 C ATOM 954 O HIS A 65 -10.283 15.640 -4.831 1.00 0.00 O ATOM 955 CB HIS A 65 -11.439 17.255 -2.669 1.00 0.00 C ATOM 956 CG HIS A 65 -11.610 17.554 -1.199 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.963 18.776 -0.651 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.386 16.680 -0.168 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.970 18.644 0.690 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.631 17.375 1.006 1.00 0.00 N ATOM 0 H HIS A 65 -8.841 18.710 -2.046 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.446 16.633 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.001 17.982 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.859 16.274 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.078 15.648 -0.254 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.208 19.425 1.397 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.566 16.993 1.949 1.00 0.00 H new ATOM 969 N HIS A 66 -8.569 17.061 -5.067 1.00 0.00 N ATOM 970 CA HIS A 66 -7.963 16.431 -6.229 1.00 0.00 C ATOM 971 C HIS A 66 -7.324 15.108 -5.764 1.00 0.00 C ATOM 972 O HIS A 66 -6.821 15.026 -4.638 1.00 0.00 O ATOM 973 CB HIS A 66 -6.917 17.396 -6.776 1.00 0.00 C ATOM 974 CG HIS A 66 -5.600 16.787 -7.126 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.238 16.237 -8.334 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.469 16.954 -6.375 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.896 16.184 -8.353 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.395 16.657 -7.198 1.00 0.00 N ATOM 0 H HIS A 66 -8.084 17.911 -4.781 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.687 16.211 -7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.323 17.878 -7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.750 18.180 -6.037 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.868 15.928 -9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.422 17.259 -5.340 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.304 15.815 -9.177 1.00 0.00 H new ATOM 986 N VAL A 67 -7.316 14.076 -6.611 1.00 0.00 N ATOM 987 CA VAL A 67 -6.687 12.793 -6.273 1.00 0.00 C ATOM 988 C VAL A 67 -5.162 12.914 -6.370 1.00 0.00 C ATOM 989 O VAL A 67 -4.595 12.937 -7.464 1.00 0.00 O ATOM 990 CB VAL A 67 -7.229 11.649 -7.148 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.549 10.327 -6.792 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.740 11.460 -6.944 1.00 0.00 C ATOM 0 H VAL A 67 -7.739 14.102 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.943 12.543 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.022 11.920 -8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.947 9.532 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.475 10.415 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.740 10.090 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.093 10.645 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.939 11.222 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.261 12.379 -7.212 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.509 12.976 -5.206 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.051 13.082 -5.050 1.00 0.00 C ATOM 1004 C ILE A 68 -2.339 11.859 -5.647 1.00 0.00 C ATOM 1005 O ILE A 68 -1.337 11.987 -6.355 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.716 13.243 -3.547 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.116 14.679 -3.147 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.234 12.952 -3.213 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.997 14.967 -1.654 1.00 0.00 C ATOM 0 H ILE A 68 -4.998 12.953 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.694 13.956 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.275 12.504 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.489 15.384 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.145 14.858 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.069 13.084 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.992 11.927 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.595 13.640 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.296 15.996 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.645 14.288 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.964 14.822 -1.337 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.853 10.660 -5.341 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.264 9.383 -5.734 1.00 0.00 C ATOM 1023 C ALA A 69 -3.256 8.207 -5.607 1.00 0.00 C ATOM 1024 O ALA A 69 -4.307 8.329 -4.971 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.050 9.169 -4.809 1.00 0.00 C ATOM 0 H ALA A 69 -3.711 10.554 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.979 9.412 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.566 8.224 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.341 9.986 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.383 9.145 -3.771 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.887 7.044 -6.164 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.617 5.769 -6.071 1.00 0.00 C ATOM 1033 C ARG A 70 -2.751 4.748 -5.335 1.00 0.00 C ATOM 1034 O ARG A 70 -1.547 4.686 -5.590 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.965 5.205 -7.457 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.305 5.691 -8.009 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.255 7.096 -8.614 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.616 7.525 -8.964 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.062 8.109 -10.056 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.293 8.396 -11.069 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.322 8.422 -10.134 1.00 0.00 N ATOM 0 H ARG A 70 -2.034 6.962 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.546 5.957 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.175 5.477 -8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.980 4.117 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.648 4.991 -8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.043 5.678 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.813 7.794 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.621 7.100 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.323 7.342 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.300 8.167 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.685 8.849 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.948 8.214 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.684 8.875 -10.973 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.389 3.948 -4.482 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.770 2.936 -3.619 1.00 0.00 C ATOM 1057 C HIS A 71 -3.352 1.542 -3.833 1.00 0.00 C ATOM 1058 O HIS A 71 -4.568 1.360 -3.934 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.039 3.323 -2.155 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.129 2.669 -1.132 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.151 3.370 -0.426 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.093 1.350 -0.742 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.546 2.473 0.364 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.105 1.259 0.217 1.00 0.00 N ATOM 0 H HIS A 71 -4.402 3.988 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.708 2.906 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.946 4.405 -2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.071 3.069 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.713 0.547 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.277 2.694 1.027 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.844 0.415 0.727 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.489 0.535 -3.833 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.858 -0.870 -3.907 1.00 0.00 C ATOM 1074 C GLU A 72 -1.952 -1.670 -2.964 1.00 0.00 C ATOM 1075 O GLU A 72 -0.729 -1.542 -2.989 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.750 -1.361 -5.363 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.810 -2.890 -5.468 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.992 -3.337 -6.932 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.150 -3.417 -7.407 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.978 -3.615 -7.617 1.00 0.00 O ATOM 0 H GLU A 72 -1.481 0.680 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.892 -1.012 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.558 -0.927 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.815 -1.006 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.895 -3.322 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.635 -3.267 -4.864 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.554 -2.529 -2.150 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.873 -3.473 -1.272 1.00 0.00 C ATOM 1089 C TYR A 73 -2.531 -4.830 -1.497 1.00 0.00 C ATOM 1090 O TYR A 73 -3.751 -4.954 -1.412 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.966 -3.032 0.195 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.775 -4.155 1.208 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.533 -4.807 1.374 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.880 -4.580 1.966 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.391 -5.847 2.315 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.742 -5.606 2.917 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.494 -6.225 3.115 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.374 -7.174 4.083 1.00 0.00 O ATOM 0 H TYR A 73 -3.570 -2.589 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.808 -3.523 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.215 -2.264 0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.940 -2.572 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.314 -4.506 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.843 -4.114 1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.557 -6.353 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.597 -5.920 3.498 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.479 -7.572 4.042 1.00 0.00 H new ATOM 1108 N THR A 74 -1.740 -5.851 -1.803 1.00 0.00 N ATOM 1109 CA THR A 74 -2.250 -7.208 -2.033 1.00 0.00 C ATOM 1110 C THR A 74 -1.447 -8.180 -1.165 1.00 0.00 C ATOM 1111 O THR A 74 -0.224 -8.084 -1.047 1.00 0.00 O ATOM 1112 CB THR A 74 -2.238 -7.619 -3.525 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.045 -8.245 -3.940 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.447 -6.453 -4.508 1.00 0.00 C ATOM 0 H THR A 74 -0.728 -5.768 -1.900 1.00 0.00 H new ATOM 0 HA THR A 74 -3.301 -7.237 -1.746 1.00 0.00 H new ATOM 0 HB THR A 74 -3.079 -8.312 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.298 -7.617 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.424 -6.830 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.412 -5.984 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.653 -5.718 -4.375 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.135 -9.108 -0.513 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.530 -10.101 0.379 1.00 0.00 C ATOM 1124 C PHE A 75 -2.016 -11.511 0.006 1.00 0.00 C ATOM 1125 O PHE A 75 -3.217 -11.734 -0.040 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.878 -9.754 1.830 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.657 -10.914 2.770 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.347 -11.240 3.137 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.726 -11.737 3.176 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.094 -12.373 3.911 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.471 -12.889 3.939 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.149 -13.212 4.300 1.00 0.00 C ATOM 0 H PHE A 75 -3.148 -9.197 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.446 -10.086 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.272 -8.908 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.920 -9.439 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.472 -10.612 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.739 -11.483 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.917 -12.605 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.287 -13.525 4.248 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.948 -14.104 4.875 1.00 0.00 H new ATOM 1142 N SER A 76 -1.119 -12.468 -0.232 1.00 0.00 N ATOM 1143 CA SER A 76 -1.404 -13.851 -0.674 1.00 0.00 C ATOM 1144 C SER A 76 -0.750 -14.918 0.202 1.00 0.00 C ATOM 1145 O SER A 76 0.378 -14.754 0.642 1.00 0.00 O ATOM 1146 CB SER A 76 -0.892 -14.070 -2.107 1.00 0.00 C ATOM 1147 OG SER A 76 -1.874 -13.756 -3.073 1.00 0.00 O ATOM 0 H SER A 76 -0.119 -12.300 -0.118 1.00 0.00 H new ATOM 0 HA SER A 76 -2.487 -13.957 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.008 -13.454 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.584 -15.109 -2.227 1.00 0.00 H new ATOM 0 HG SER A 76 -1.510 -13.906 -3.970 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.423 -16.044 0.441 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.844 -17.192 1.174 1.00 0.00 C ATOM 1155 C ILE A 77 -0.616 -18.360 0.207 1.00 0.00 C ATOM 1156 O ILE A 77 -1.562 -18.833 -0.429 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.709 -17.607 2.383 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.939 -16.376 3.282 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.040 -18.788 3.116 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.376 -16.665 4.720 1.00 0.00 C ATOM 0 H ILE A 77 -2.385 -16.195 0.136 1.00 0.00 H new ATOM 0 HA ILE A 77 0.118 -16.886 1.585 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.690 -17.958 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.016 -15.797 3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.695 -15.746 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.652 -19.080 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.943 -19.632 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.052 -18.487 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.507 -15.725 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.319 -17.212 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.614 -17.264 5.218 1.00 0.00 H new ATOM 1172 N MET A 78 0.635 -18.826 0.102 1.00 0.00 N ATOM 1173 CA MET A 78 1.036 -19.964 -0.738 1.00 0.00 C ATOM 1174 C MET A 78 1.651 -21.127 0.055 1.00 0.00 C ATOM 1175 O MET A 78 2.740 -20.981 0.599 1.00 0.00 O ATOM 1176 CB MET A 78 1.962 -19.510 -1.884 1.00 0.00 C ATOM 1177 CG MET A 78 3.141 -18.615 -1.457 1.00 0.00 C ATOM 1178 SD MET A 78 4.551 -18.537 -2.604 1.00 0.00 S ATOM 1179 CE MET A 78 3.719 -18.355 -4.203 1.00 0.00 C ATOM 0 H MET A 78 1.416 -18.413 0.611 1.00 0.00 H new ATOM 0 HA MET A 78 0.117 -20.357 -1.173 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.359 -20.395 -2.381 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.366 -18.971 -2.620 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.765 -17.603 -1.307 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.505 -18.966 -0.491 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.459 -18.153 -4.977 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.185 -19.275 -4.442 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.011 -17.527 -4.153 1.00 0.00 H new ATOM 1189 N ASP A 79 0.992 -22.291 0.057 1.00 0.00 N ATOM 1190 CA ASP A 79 1.394 -23.569 0.684 1.00 0.00 C ATOM 1191 C ASP A 79 1.830 -23.514 2.168 1.00 0.00 C ATOM 1192 O ASP A 79 1.089 -23.953 3.049 1.00 0.00 O ATOM 1193 CB ASP A 79 2.490 -24.228 -0.171 1.00 0.00 C ATOM 1194 CG ASP A 79 1.989 -24.622 -1.569 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.159 -25.558 -1.673 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.431 -24.013 -2.573 1.00 0.00 O ATOM 0 H ASP A 79 0.092 -22.378 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 79 0.481 -24.164 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.331 -23.541 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.862 -25.115 0.342 1.00 0.00 H new ATOM 1201 N GLU A 80 3.015 -22.969 2.451 1.00 0.00 N ATOM 1202 CA GLU A 80 3.627 -22.820 3.779 1.00 0.00 C ATOM 1203 C GLU A 80 4.176 -21.403 4.009 1.00 0.00 C ATOM 1204 O GLU A 80 4.881 -21.174 4.991 1.00 0.00 O ATOM 1205 CB GLU A 80 4.809 -23.791 3.959 1.00 0.00 C ATOM 1206 CG GLU A 80 4.579 -25.258 3.573 1.00 0.00 C ATOM 1207 CD GLU A 80 3.470 -25.968 4.382 1.00 0.00 C ATOM 1208 OE1 GLU A 80 3.281 -25.670 5.588 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.821 -26.890 3.829 1.00 0.00 O ATOM 0 H GLU A 80 3.613 -22.595 1.714 1.00 0.00 H new ATOM 0 HA GLU A 80 2.832 -23.033 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.647 -23.415 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.114 -23.761 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.326 -25.306 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.513 -25.805 3.703 1.00 0.00 H new ATOM 1216 N PHE A 81 3.925 -20.444 3.114 1.00 0.00 N ATOM 1217 CA PHE A 81 4.493 -19.100 3.248 1.00 0.00 C ATOM 1218 C PHE A 81 3.397 -18.050 3.017 1.00 0.00 C ATOM 1219 O PHE A 81 2.303 -18.338 2.523 1.00 0.00 O ATOM 1220 CB PHE A 81 5.593 -18.856 2.189 1.00 0.00 C ATOM 1221 CG PHE A 81 6.382 -20.060 1.706 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.116 -20.892 2.569 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.295 -20.384 0.341 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.783 -22.021 2.058 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.945 -21.515 -0.172 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.700 -22.334 0.687 1.00 0.00 C ATOM 0 H PHE A 81 3.335 -20.572 2.292 1.00 0.00 H new ATOM 0 HA PHE A 81 4.915 -19.018 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.127 -18.390 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.299 -18.133 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.168 -20.665 3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.720 -19.753 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.361 -22.650 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.867 -21.756 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.214 -23.200 0.297 1.00 0.00 H new ATOM 1236 N GLN A 82 3.733 -16.800 3.303 1.00 0.00 N ATOM 1237 CA GLN A 82 2.888 -15.629 3.092 1.00 0.00 C ATOM 1238 C GLN A 82 3.610 -14.647 2.181 1.00 0.00 C ATOM 1239 O GLN A 82 4.811 -14.463 2.315 1.00 0.00 O ATOM 1240 CB GLN A 82 2.559 -14.925 4.411 1.00 0.00 C ATOM 1241 CG GLN A 82 2.485 -15.777 5.670 1.00 0.00 C ATOM 1242 CD GLN A 82 2.030 -14.944 6.863 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.639 -13.952 7.241 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.934 -15.297 7.494 1.00 0.00 N ATOM 0 H GLN A 82 4.640 -16.562 3.705 1.00 0.00 H new ATOM 0 HA GLN A 82 1.956 -15.966 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.309 -14.151 4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.600 -14.420 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.793 -16.605 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.462 -16.213 5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.414 -16.121 7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.602 -14.747 8.286 1.00 0.00 H new ATOM 1253 N GLU A 83 2.874 -13.974 1.314 1.00 0.00 N ATOM 1254 CA GLU A 83 3.348 -12.994 0.338 1.00 0.00 C ATOM 1255 C GLU A 83 2.650 -11.661 0.571 1.00 0.00 C ATOM 1256 O GLU A 83 1.425 -11.586 0.632 1.00 0.00 O ATOM 1257 CB GLU A 83 3.021 -13.432 -1.106 1.00 0.00 C ATOM 1258 CG GLU A 83 4.087 -14.309 -1.758 1.00 0.00 C ATOM 1259 CD GLU A 83 3.745 -14.603 -3.235 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.592 -14.992 -3.541 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.633 -14.437 -4.108 1.00 0.00 O ATOM 0 H GLU A 83 1.863 -14.102 1.266 1.00 0.00 H new ATOM 0 HA GLU A 83 4.428 -12.909 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.075 -13.974 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.876 -12.542 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.056 -13.813 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.175 -15.247 -1.209 1.00 0.00 H new ATOM 1268 N TYR A 84 3.439 -10.602 0.644 1.00 0.00 N ATOM 1269 CA TYR A 84 2.983 -9.232 0.836 1.00 0.00 C ATOM 1270 C TYR A 84 3.467 -8.376 -0.319 1.00 0.00 C ATOM 1271 O TYR A 84 4.654 -8.411 -0.641 1.00 0.00 O ATOM 1272 CB TYR A 84 3.589 -8.676 2.122 1.00 0.00 C ATOM 1273 CG TYR A 84 3.071 -9.346 3.381 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.673 -10.525 3.867 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.938 -8.814 4.024 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.158 -11.163 5.013 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.439 -9.430 5.188 1.00 0.00 C ATOM 1278 CZ TYR A 84 2.054 -10.600 5.694 1.00 0.00 C ATOM 1279 OH TYR A 84 1.553 -11.205 6.805 1.00 0.00 O ATOM 0 H TYR A 84 4.454 -10.674 0.568 1.00 0.00 H new ATOM 0 HA TYR A 84 1.894 -9.219 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.672 -8.789 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.382 -7.607 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.531 -10.940 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.452 -7.935 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.605 -12.079 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.584 -9.008 5.696 1.00 0.00 H new ATOM 0 HH TYR A 84 1.931 -12.105 6.886 1.00 0.00 H new ATOM 1289 N THR A 85 2.580 -7.605 -0.940 1.00 0.00 N ATOM 1290 CA THR A 85 2.950 -6.695 -2.025 1.00 0.00 C ATOM 1291 C THR A 85 2.179 -5.380 -1.871 1.00 0.00 C ATOM 1292 O THR A 85 1.016 -5.347 -1.471 1.00 0.00 O ATOM 1293 CB THR A 85 2.756 -7.302 -3.435 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.469 -7.047 -3.953 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.910 -8.831 -3.502 1.00 0.00 C ATOM 0 H THR A 85 1.587 -7.591 -0.708 1.00 0.00 H new ATOM 0 HA THR A 85 4.020 -6.506 -1.941 1.00 0.00 H new ATOM 0 HB THR A 85 3.545 -6.818 -4.010 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.390 -7.446 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.757 -9.167 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.911 -9.111 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.171 -9.300 -2.853 1.00 0.00 H new ATOM 1303 N MET A 86 2.826 -4.268 -2.180 1.00 0.00 N ATOM 1304 CA MET A 86 2.267 -2.918 -2.152 1.00 0.00 C ATOM 1305 C MET A 86 2.761 -2.141 -3.371 1.00 0.00 C ATOM 1306 O MET A 86 3.889 -2.322 -3.830 1.00 0.00 O ATOM 1307 CB MET A 86 2.655 -2.239 -0.836 1.00 0.00 C ATOM 1308 CG MET A 86 2.209 -0.780 -0.750 1.00 0.00 C ATOM 1309 SD MET A 86 2.696 0.064 0.780 1.00 0.00 S ATOM 1310 CE MET A 86 4.400 0.520 0.348 1.00 0.00 C ATOM 0 H MET A 86 3.803 -4.278 -2.472 1.00 0.00 H new ATOM 0 HA MET A 86 1.179 -2.950 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.217 -2.794 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.737 -2.288 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.623 -0.236 -1.599 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.124 -0.738 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.908 0.907 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.930 -0.359 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.386 1.286 -0.428 1.00 0.00 H new ATOM 1320 N LEU A 87 1.891 -1.281 -3.883 1.00 0.00 N ATOM 1321 CA LEU A 87 2.108 -0.421 -5.045 1.00 0.00 C ATOM 1322 C LEU A 87 1.256 0.862 -4.929 1.00 0.00 C ATOM 1323 O LEU A 87 0.042 0.844 -5.140 1.00 0.00 O ATOM 1324 CB LEU A 87 1.715 -1.217 -6.304 1.00 0.00 C ATOM 1325 CG LEU A 87 2.084 -0.507 -7.607 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.512 -0.844 -8.010 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.151 -0.890 -8.753 1.00 0.00 C ATOM 0 H LEU A 87 0.963 -1.156 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 87 3.154 -0.121 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.204 -2.191 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.641 -1.400 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 87 1.986 0.562 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.759 -0.331 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.197 -0.523 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.605 -1.920 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.451 -0.362 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.207 -1.965 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.128 -0.617 -8.496 1.00 0.00 H new ATOM 1339 N CYS A 88 1.901 1.980 -4.614 1.00 0.00 N ATOM 1340 CA CYS A 88 1.310 3.307 -4.484 1.00 0.00 C ATOM 1341 C CYS A 88 2.275 4.371 -5.027 1.00 0.00 C ATOM 1342 O CYS A 88 3.478 4.330 -4.744 1.00 0.00 O ATOM 1343 CB CYS A 88 1.007 3.582 -3.006 1.00 0.00 C ATOM 1344 SG CYS A 88 0.391 5.285 -2.763 1.00 0.00 S ATOM 0 H CYS A 88 2.905 1.985 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 88 0.386 3.349 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.265 2.869 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.909 3.431 -2.413 1.00 0.00 H new ATOM 1349 N LEU A 89 1.745 5.336 -5.784 1.00 0.00 N ATOM 1350 CA LEU A 89 2.501 6.468 -6.327 1.00 0.00 C ATOM 1351 C LEU A 89 3.155 7.305 -5.214 1.00 0.00 C ATOM 1352 O LEU A 89 4.269 7.801 -5.405 1.00 0.00 O ATOM 1353 CB LEU A 89 1.554 7.307 -7.215 1.00 0.00 C ATOM 1354 CG LEU A 89 2.093 8.677 -7.669 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.318 8.565 -8.556 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.073 9.467 -8.489 1.00 0.00 C ATOM 0 H LEU A 89 0.758 5.352 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 89 3.326 6.099 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.308 6.723 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.624 7.467 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 89 2.330 9.182 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.651 9.562 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.116 8.058 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.069 7.994 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.505 10.424 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.806 8.900 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.180 9.641 -7.889 1.00 0.00 H new ATOM 1368 N LEU A 90 2.501 7.422 -4.057 1.00 0.00 N ATOM 1369 CA LEU A 90 2.979 8.157 -2.894 1.00 0.00 C ATOM 1370 C LEU A 90 3.660 7.226 -1.892 1.00 0.00 C ATOM 1371 O LEU A 90 4.841 7.403 -1.594 1.00 0.00 O ATOM 1372 CB LEU A 90 1.776 8.844 -2.222 1.00 0.00 C ATOM 1373 CG LEU A 90 2.087 9.436 -0.832 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.201 10.473 -0.897 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.841 10.084 -0.235 1.00 0.00 C ATOM 0 H LEU A 90 1.590 6.990 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 90 3.713 8.895 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.416 9.641 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.966 8.121 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 90 2.415 8.611 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.391 10.866 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.109 10.008 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.902 11.287 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.079 10.496 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.497 10.884 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.055 9.336 -0.133 1.00 0.00 H new ATOM 1387 N CYS A 91 2.911 6.285 -1.335 1.00 0.00 N ATOM 1388 CA CYS A 91 3.369 5.421 -0.266 1.00 0.00 C ATOM 1389 C CYS A 91 4.519 4.495 -0.681 1.00 0.00 C ATOM 1390 O CYS A 91 5.448 4.291 0.105 1.00 0.00 O ATOM 1391 CB CYS A 91 2.168 4.677 0.321 1.00 0.00 C ATOM 1392 SG CYS A 91 0.932 5.861 0.940 1.00 0.00 S ATOM 0 H CYS A 91 1.950 6.100 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 91 3.809 6.039 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.720 4.038 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.496 4.026 1.131 1.00 0.00 H new ATOM 1397 N GLY A 92 4.492 3.986 -1.916 1.00 0.00 N ATOM 1398 CA GLY A 92 5.597 3.221 -2.491 1.00 0.00 C ATOM 1399 C GLY A 92 5.277 1.857 -3.093 1.00 0.00 C ATOM 1400 O GLY A 92 4.166 1.342 -2.986 1.00 0.00 O ATOM 0 H GLY A 92 3.698 4.095 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.058 3.831 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.346 3.077 -1.712 1.00 0.00 H new ATOM 1404 N LYS A 93 6.303 1.248 -3.698 1.00 0.00 N ATOM 1405 CA LYS A 93 6.270 -0.108 -4.256 1.00 0.00 C ATOM 1406 C LYS A 93 7.193 -1.029 -3.466 1.00 0.00 C ATOM 1407 O LYS A 93 8.404 -0.812 -3.416 1.00 0.00 O ATOM 1408 CB LYS A 93 6.612 -0.075 -5.746 1.00 0.00 C ATOM 1409 CG LYS A 93 6.807 -1.485 -6.340 1.00 0.00 C ATOM 1410 CD LYS A 93 7.182 -1.408 -7.826 1.00 0.00 C ATOM 1411 CE LYS A 93 7.306 -2.820 -8.413 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.677 -2.785 -9.853 1.00 0.00 N ATOM 0 H LYS A 93 7.209 1.701 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 93 5.262 -0.513 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.816 0.436 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.522 0.507 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.588 -2.010 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.891 -2.063 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.425 -0.844 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.124 -0.873 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.057 -3.381 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.360 -3.349 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.752 -3.757 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.947 -2.271 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.592 -2.303 -9.964 1.00 0.00 H new ATOM 1426 N ALA A 94 6.617 -2.052 -2.848 1.00 0.00 N ATOM 1427 CA ALA A 94 7.327 -3.019 -2.022 1.00 0.00 C ATOM 1428 C ALA A 94 6.786 -4.456 -2.139 1.00 0.00 C ATOM 1429 O ALA A 94 5.629 -4.665 -2.497 1.00 0.00 O ATOM 1430 CB ALA A 94 7.269 -2.510 -0.580 1.00 0.00 C ATOM 0 H ALA A 94 5.616 -2.237 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 94 8.356 -3.093 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.791 -3.208 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.745 -1.531 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.229 -2.427 -0.265 1.00 0.00 H new ATOM 1436 N GLU A 95 7.619 -5.450 -1.815 1.00 0.00 N ATOM 1437 CA GLU A 95 7.241 -6.870 -1.780 1.00 0.00 C ATOM 1438 C GLU A 95 8.076 -7.635 -0.738 1.00 0.00 C ATOM 1439 O GLU A 95 9.286 -7.424 -0.628 1.00 0.00 O ATOM 1440 CB GLU A 95 7.407 -7.470 -3.185 1.00 0.00 C ATOM 1441 CG GLU A 95 7.107 -8.972 -3.280 1.00 0.00 C ATOM 1442 CD GLU A 95 7.227 -9.454 -4.739 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.240 -9.340 -5.507 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.313 -9.947 -5.132 1.00 0.00 O ATOM 0 H GLU A 95 8.595 -5.289 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 95 6.197 -6.960 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.750 -6.938 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.429 -7.295 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.800 -9.528 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.103 -9.173 -2.906 1.00 0.00 H new ATOM 1451 N ASP A 96 7.432 -8.521 0.027 1.00 0.00 N ATOM 1452 CA ASP A 96 8.024 -9.363 1.068 1.00 0.00 C ATOM 1453 C ASP A 96 7.408 -10.768 1.087 1.00 0.00 C ATOM 1454 O ASP A 96 6.241 -10.943 0.730 1.00 0.00 O ATOM 1455 CB ASP A 96 7.829 -8.723 2.453 1.00 0.00 C ATOM 1456 CG ASP A 96 8.910 -9.176 3.450 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.117 -9.083 3.118 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.555 -9.627 4.563 1.00 0.00 O ATOM 0 H ASP A 96 6.429 -8.678 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 96 9.086 -9.449 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.854 -7.637 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.845 -8.987 2.840 1.00 0.00 H new ATOM 1463 N THR A 97 8.157 -11.775 1.537 1.00 0.00 N ATOM 1464 CA THR A 97 7.635 -13.141 1.712 1.00 0.00 C ATOM 1465 C THR A 97 8.115 -13.735 3.041 1.00 0.00 C ATOM 1466 O THR A 97 9.297 -13.627 3.378 1.00 0.00 O ATOM 1467 CB THR A 97 7.999 -14.075 0.545 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.032 -13.406 -0.702 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.984 -15.209 0.410 1.00 0.00 C ATOM 0 H THR A 97 9.140 -11.673 1.791 1.00 0.00 H new ATOM 0 HA THR A 97 6.548 -13.060 1.724 1.00 0.00 H new ATOM 0 HB THR A 97 8.992 -14.457 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.269 -14.042 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.267 -15.853 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.966 -15.793 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.994 -14.791 0.226 1.00 0.00 H new ATOM 1477 N ILE A 98 7.204 -14.346 3.808 1.00 0.00 N ATOM 1478 CA ILE A 98 7.461 -14.923 5.141 1.00 0.00 C ATOM 1479 C ILE A 98 7.106 -16.405 5.166 1.00 0.00 C ATOM 1480 O ILE A 98 5.974 -16.767 4.866 1.00 0.00 O ATOM 1481 CB ILE A 98 6.638 -14.210 6.244 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.579 -12.680 6.044 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.226 -14.557 7.619 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.886 -11.895 7.166 1.00 0.00 C ATOM 0 H ILE A 98 6.234 -14.458 3.512 1.00 0.00 H new ATOM 0 HA ILE A 98 8.524 -14.786 5.340 1.00 0.00 H new ATOM 0 HB ILE A 98 5.610 -14.568 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.597 -12.305 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.063 -12.473 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.650 -14.057 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.183 -15.635 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.263 -14.225 7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.899 -10.831 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.854 -12.233 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.412 -12.062 8.106 1.00 0.00 H new ATOM 1496 N SER A 99 8.018 -17.271 5.586 1.00 0.00 N ATOM 1497 CA SER A 99 7.715 -18.698 5.759 1.00 0.00 C ATOM 1498 C SER A 99 7.034 -18.921 7.115 1.00 0.00 C ATOM 1499 O SER A 99 7.436 -18.339 8.127 1.00 0.00 O ATOM 1500 CB SER A 99 8.972 -19.553 5.580 1.00 0.00 C ATOM 1501 OG SER A 99 10.034 -19.117 6.414 1.00 0.00 O ATOM 0 H SER A 99 8.979 -17.016 5.816 1.00 0.00 H new ATOM 0 HA SER A 99 7.019 -19.017 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.738 -20.594 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.290 -19.516 4.538 1.00 0.00 H new ATOM 0 HG SER A 99 10.817 -19.689 6.272 1.00 0.00 H new ATOM 1507 N ILE A 100 5.982 -19.744 7.143 1.00 0.00 N ATOM 1508 CA ILE A 100 5.175 -20.033 8.340 1.00 0.00 C ATOM 1509 C ILE A 100 4.892 -21.539 8.517 1.00 0.00 C ATOM 1510 O ILE A 100 5.309 -22.376 7.715 1.00 0.00 O ATOM 1511 CB ILE A 100 3.898 -19.140 8.389 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.983 -19.172 7.142 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.292 -17.673 8.646 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.205 -20.477 6.944 1.00 0.00 C ATOM 0 H ILE A 100 5.657 -20.242 6.315 1.00 0.00 H new ATOM 0 HA ILE A 100 5.770 -19.762 9.212 1.00 0.00 H new ATOM 0 HB ILE A 100 3.313 -19.574 9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.272 -18.349 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.594 -18.993 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.394 -17.056 8.679 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.818 -17.599 9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.943 -17.325 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.593 -20.403 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.905 -21.306 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.563 -20.652 7.807 1.00 0.00 H new ATOM 1526 N LEU A 101 4.215 -21.893 9.613 1.00 0.00 N ATOM 1527 CA LEU A 101 3.872 -23.254 10.030 1.00 0.00 C ATOM 1528 C LEU A 101 2.454 -23.284 10.643 1.00 0.00 C ATOM 1529 O LEU A 101 1.956 -22.230 11.055 1.00 0.00 O ATOM 1530 CB LEU A 101 4.908 -23.655 11.101 1.00 0.00 C ATOM 1531 CG LEU A 101 6.322 -23.985 10.584 1.00 0.00 C ATOM 1532 CD1 LEU A 101 7.247 -24.242 11.774 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.341 -25.229 9.693 1.00 0.00 C ATOM 0 H LEU A 101 3.871 -21.194 10.272 1.00 0.00 H new ATOM 0 HA LEU A 101 3.885 -23.938 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.987 -22.843 11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.528 -24.523 11.639 1.00 0.00 H new ATOM 0 HG LEU A 101 6.656 -23.132 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.248 -24.476 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.287 -23.353 12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.866 -25.081 12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.360 -25.419 9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.981 -26.088 10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.696 -25.068 8.829 1.00 0.00 H new ATOM 1545 N PRO A 102 1.806 -24.462 10.774 1.00 0.00 N ATOM 1546 CA PRO A 102 0.484 -24.584 11.406 1.00 0.00 C ATOM 1547 C PRO A 102 0.468 -24.148 12.888 1.00 0.00 C ATOM 1548 O PRO A 102 -0.596 -23.863 13.439 1.00 0.00 O ATOM 1549 CB PRO A 102 0.068 -26.047 11.217 1.00 0.00 C ATOM 1550 CG PRO A 102 1.396 -26.787 11.068 1.00 0.00 C ATOM 1551 CD PRO A 102 2.277 -25.773 10.341 1.00 0.00 C ATOM 0 HA PRO A 102 -0.228 -23.904 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.501 -26.415 12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.561 -26.173 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.814 -27.064 12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.283 -27.707 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.328 -25.915 10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.191 -25.883 9.260 1.00 0.00 H new ATOM 1559 N ASP A 103 1.641 -24.043 13.525 1.00 0.00 N ATOM 1560 CA ASP A 103 1.838 -23.543 14.895 1.00 0.00 C ATOM 1561 C ASP A 103 1.690 -21.999 15.006 1.00 0.00 C ATOM 1562 O ASP A 103 1.794 -21.436 16.095 1.00 0.00 O ATOM 1563 CB ASP A 103 3.228 -24.005 15.365 1.00 0.00 C ATOM 1564 CG ASP A 103 3.450 -23.821 16.878 1.00 0.00 C ATOM 1565 OD1 ASP A 103 2.662 -24.382 17.679 1.00 0.00 O ATOM 1566 OD2 ASP A 103 4.447 -23.169 17.274 1.00 0.00 O ATOM 0 H ASP A 103 2.518 -24.316 13.082 1.00 0.00 H new ATOM 0 HA ASP A 103 1.057 -23.951 15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.359 -25.057 15.111 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.992 -23.448 14.822 1.00 0.00 H new ATOM 1571 N ASP A 104 1.441 -21.311 13.882 1.00 0.00 N ATOM 1572 CA ASP A 104 1.269 -19.855 13.745 1.00 0.00 C ATOM 1573 C ASP A 104 2.433 -19.001 14.319 1.00 0.00 C ATOM 1574 O ASP A 104 2.226 -18.188 15.226 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.132 -19.445 14.243 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.481 -17.980 13.919 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.116 -17.493 12.822 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -1.169 -17.326 14.741 1.00 0.00 O ATOM 0 H ASP A 104 1.348 -21.787 12.985 1.00 0.00 H new ATOM 0 HA ASP A 104 1.326 -19.620 12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.878 -20.099 13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.187 -19.596 15.321 1.00 0.00 H new ATOM 1583 N PRO A 105 3.677 -19.164 13.809 1.00 0.00 N ATOM 1584 CA PRO A 105 4.847 -18.411 14.277 1.00 0.00 C ATOM 1585 C PRO A 105 4.830 -16.924 13.877 1.00 0.00 C ATOM 1586 O PRO A 105 5.460 -16.110 14.555 1.00 0.00 O ATOM 1587 CB PRO A 105 6.054 -19.139 13.672 1.00 0.00 C ATOM 1588 CG PRO A 105 5.502 -19.722 12.373 1.00 0.00 C ATOM 1589 CD PRO A 105 4.065 -20.084 12.747 1.00 0.00 C ATOM 0 HA PRO A 105 4.871 -18.386 15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.883 -18.456 13.486 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.427 -19.919 14.336 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.538 -18.999 11.558 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.068 -20.596 12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.403 -19.987 11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.999 -21.118 13.085 1.00 0.00 H new ATOM 1597 N ARG A 106 4.104 -16.558 12.805 1.00 0.00 N ATOM 1598 CA ARG A 106 3.907 -15.196 12.243 1.00 0.00 C ATOM 1599 C ARG A 106 5.148 -14.280 12.138 1.00 0.00 C ATOM 1600 O ARG A 106 5.021 -13.056 12.164 1.00 0.00 O ATOM 1601 CB ARG A 106 2.662 -14.537 12.890 1.00 0.00 C ATOM 1602 CG ARG A 106 2.647 -14.371 14.421 1.00 0.00 C ATOM 1603 CD ARG A 106 3.681 -13.376 14.968 1.00 0.00 C ATOM 1604 NE ARG A 106 3.562 -13.215 16.430 1.00 0.00 N ATOM 1605 CZ ARG A 106 4.186 -13.911 17.366 1.00 0.00 C ATOM 1606 NH1 ARG A 106 4.995 -14.895 17.091 1.00 0.00 N ATOM 1607 NH2 ARG A 106 4.006 -13.622 18.624 1.00 0.00 N ATOM 0 H ARG A 106 3.597 -17.257 12.262 1.00 0.00 H new ATOM 0 HA ARG A 106 3.714 -15.344 11.180 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.538 -13.550 12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 106 1.788 -15.125 12.609 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.653 -14.047 14.728 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.821 -15.344 14.880 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.685 -13.721 14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.548 -12.409 14.483 1.00 0.00 H new ATOM 0 HE ARG A 106 2.928 -12.485 16.755 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.169 -15.156 16.120 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.454 -15.404 17.846 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.383 -12.858 18.888 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.488 -14.159 19.345 1.00 0.00 H new ATOM 1621 N GLN A 107 6.349 -14.854 12.028 1.00 0.00 N ATOM 1622 CA GLN A 107 7.632 -14.133 11.966 1.00 0.00 C ATOM 1623 C GLN A 107 7.651 -12.994 10.927 1.00 0.00 C ATOM 1624 O GLN A 107 8.689 -12.367 10.676 1.00 0.00 O ATOM 1625 CB GLN A 107 8.792 -15.134 11.791 1.00 0.00 C ATOM 1626 CG GLN A 107 8.871 -15.798 10.402 1.00 0.00 C ATOM 1627 CD GLN A 107 10.019 -16.808 10.298 1.00 0.00 C ATOM 1628 OE1 GLN A 107 11.074 -16.679 10.908 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.866 -17.858 9.523 1.00 0.00 N ATOM 0 H GLN A 107 6.463 -15.866 11.978 1.00 0.00 H new ATOM 0 HA GLN A 107 7.768 -13.622 12.919 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.732 -14.617 11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.697 -15.914 12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.928 -16.302 10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.999 -15.028 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.997 -17.987 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.616 -18.544 9.439 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.721 17.549 -6.379 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.140 20.164 -3.621 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.550 5.336 -0.703 1.00 0.00 ZN