USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 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 82 GLN : amide:sc= 0 X(o=0,f=0.065) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -63:sc= 0.971 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.836 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.952 K(o=3.2,f=-2.5) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -145:sc= 2.24 (180deg=1.25) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 1.09 (180deg=1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.982 K(o=0.98,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.525 USER MOD Single : A 17 CYS SG : rot 61:sc= 0.213 USER MOD Single : A 22 SER OG : rot 13:sc= 0.3 USER MOD Single : A 26 ASN : amide:sc= 2.11 K(o=2.1,f=-8.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0148 USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.11 (180deg=0) USER MOD Single : A 39 MET CE :methyl -141:sc= -0.0594 (180deg=-3.76!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.1 K(o=2.1,f=-0.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 1.28 (180deg=0.502) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.2 X(o=0.2,f=-0.11) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -5:sc= 0.00256 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00271 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0918) USER MOD Single : A 86 MET CE :methyl -171:sc= 0 (180deg=-0.195) 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 Single : A 99 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 107 GLN : amide:sc=-0.00353 K(o=-0.0035,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.100 14.949 -8.518 1.00 0.00 N ATOM 2 CA CYS A 2 -0.663 15.415 -9.824 1.00 0.00 C ATOM 3 C CYS A 2 0.742 14.894 -10.212 1.00 0.00 C ATOM 4 O CYS A 2 1.340 15.343 -11.197 1.00 0.00 O ATOM 5 CB CYS A 2 -0.861 16.959 -9.907 1.00 0.00 C ATOM 6 SG CYS A 2 -0.729 17.923 -8.335 1.00 0.00 S ATOM 0 HA CYS A 2 -1.291 14.979 -10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.125 17.355 -10.607 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.845 17.149 -10.336 1.00 0.00 H new ATOM 11 N GLY A 3 1.280 13.950 -9.431 1.00 0.00 N ATOM 12 CA GLY A 3 2.619 13.356 -9.561 1.00 0.00 C ATOM 13 C GLY A 3 3.706 14.321 -9.076 1.00 0.00 C ATOM 14 O GLY A 3 4.656 13.900 -8.419 1.00 0.00 O ATOM 0 H GLY A 3 0.763 13.556 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.667 12.432 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.802 13.092 -10.603 1.00 0.00 H new ATOM 18 N ASP A 4 3.526 15.626 -9.292 1.00 0.00 N ATOM 19 CA ASP A 4 4.373 16.661 -8.696 1.00 0.00 C ATOM 20 C ASP A 4 4.183 16.677 -7.160 1.00 0.00 C ATOM 21 O ASP A 4 5.063 17.161 -6.443 1.00 0.00 O ATOM 22 CB ASP A 4 4.060 18.029 -9.316 1.00 0.00 C ATOM 23 CG ASP A 4 4.690 18.188 -10.710 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.941 18.236 -10.806 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.947 18.293 -11.716 1.00 0.00 O ATOM 0 H ASP A 4 2.785 15.996 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 4 5.419 16.436 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.980 18.155 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.429 18.817 -8.660 1.00 0.00 H new ATOM 30 N CYS A 5 3.075 16.100 -6.661 1.00 0.00 N ATOM 31 CA CYS A 5 2.761 15.913 -5.247 1.00 0.00 C ATOM 32 C CYS A 5 3.801 15.025 -4.514 1.00 0.00 C ATOM 33 O CYS A 5 3.968 15.143 -3.299 1.00 0.00 O ATOM 34 CB CYS A 5 1.381 15.220 -5.093 1.00 0.00 C ATOM 35 SG CYS A 5 -0.080 16.228 -5.502 1.00 0.00 S ATOM 0 H CYS A 5 2.342 15.736 -7.270 1.00 0.00 H new ATOM 0 HA CYS A 5 2.765 16.909 -4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.372 14.332 -5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.283 14.878 -4.063 1.00 0.00 H new ATOM 40 N VAL A 6 4.476 14.108 -5.223 1.00 0.00 N ATOM 41 CA VAL A 6 5.411 13.124 -4.642 1.00 0.00 C ATOM 42 C VAL A 6 6.872 13.423 -5.033 1.00 0.00 C ATOM 43 O VAL A 6 7.167 13.788 -6.173 1.00 0.00 O ATOM 44 CB VAL A 6 5.005 11.673 -5.000 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.546 11.380 -4.618 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.164 11.264 -6.468 1.00 0.00 C ATOM 0 H VAL A 6 4.388 14.025 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 6 5.347 13.218 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 6 5.717 11.089 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.299 10.352 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.416 11.517 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.886 12.062 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.848 10.228 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.548 11.910 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.209 11.363 -6.762 1.00 0.00 H new ATOM 56 N GLU A 7 7.811 13.260 -4.097 1.00 0.00 N ATOM 57 CA GLU A 7 9.255 13.449 -4.312 1.00 0.00 C ATOM 58 C GLU A 7 9.797 12.401 -5.305 1.00 0.00 C ATOM 59 O GLU A 7 10.595 12.726 -6.191 1.00 0.00 O ATOM 60 CB GLU A 7 9.991 13.383 -2.952 1.00 0.00 C ATOM 61 CG GLU A 7 11.510 13.508 -3.065 1.00 0.00 C ATOM 62 CD GLU A 7 12.208 13.262 -1.719 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.339 14.210 -0.906 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.670 12.116 -1.495 1.00 0.00 O ATOM 0 H GLU A 7 7.585 12.985 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 7 9.433 14.431 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.617 14.179 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.749 12.439 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.879 12.794 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.766 14.503 -3.430 1.00 0.00 H new ATOM 71 N LYS A 8 9.330 11.151 -5.176 1.00 0.00 N ATOM 72 CA LYS A 8 9.654 9.994 -6.016 1.00 0.00 C ATOM 73 C LYS A 8 8.365 9.248 -6.369 1.00 0.00 C ATOM 74 O LYS A 8 7.482 9.102 -5.522 1.00 0.00 O ATOM 75 CB LYS A 8 10.598 9.046 -5.249 1.00 0.00 C ATOM 76 CG LYS A 8 11.910 9.697 -4.776 1.00 0.00 C ATOM 77 CD LYS A 8 12.867 8.643 -4.200 1.00 0.00 C ATOM 78 CE LYS A 8 14.166 9.262 -3.663 1.00 0.00 C ATOM 79 NZ LYS A 8 14.013 9.832 -2.296 1.00 0.00 N ATOM 0 H LYS A 8 8.674 10.908 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 8 10.144 10.334 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.070 8.651 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.838 8.197 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.388 10.211 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.694 10.451 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.366 8.102 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.108 7.914 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.947 8.501 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.497 10.046 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.951 10.050 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.447 10.703 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.534 9.142 -1.684 1.00 0.00 H new ATOM 93 N GLU A 9 8.264 8.739 -7.594 1.00 0.00 N ATOM 94 CA GLU A 9 7.133 7.913 -8.040 1.00 0.00 C ATOM 95 C GLU A 9 7.353 6.463 -7.575 1.00 0.00 C ATOM 96 O GLU A 9 8.385 5.868 -7.896 1.00 0.00 O ATOM 97 CB GLU A 9 7.028 7.945 -9.577 1.00 0.00 C ATOM 98 CG GLU A 9 6.345 9.209 -10.110 1.00 0.00 C ATOM 99 CD GLU A 9 6.895 9.600 -11.496 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.365 9.113 -12.526 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.864 10.394 -11.568 1.00 0.00 O ATOM 0 H GLU A 9 8.969 8.887 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 9 6.211 8.306 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.028 7.873 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.473 7.070 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.270 9.044 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.498 10.031 -9.410 1.00 0.00 H new ATOM 108 N TYR A 10 6.394 5.893 -6.834 1.00 0.00 N ATOM 109 CA TYR A 10 6.446 4.519 -6.301 1.00 0.00 C ATOM 110 C TYR A 10 7.799 4.173 -5.637 1.00 0.00 C ATOM 111 O TYR A 10 8.491 3.243 -6.067 1.00 0.00 O ATOM 112 CB TYR A 10 6.020 3.492 -7.368 1.00 0.00 C ATOM 113 CG TYR A 10 4.658 3.709 -8.013 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.473 4.751 -8.946 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.574 2.868 -7.684 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.211 4.977 -9.518 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.302 3.102 -8.246 1.00 0.00 C ATOM 118 CZ TYR A 10 2.117 4.156 -9.169 1.00 0.00 C ATOM 119 OH TYR A 10 0.894 4.391 -9.718 1.00 0.00 O ATOM 0 H TYR A 10 5.537 6.385 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 10 5.717 4.465 -5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.774 3.486 -8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.028 2.502 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.307 5.379 -9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.719 2.044 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.077 5.781 -10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.467 2.474 -7.970 1.00 0.00 H new ATOM 0 HH TYR A 10 0.250 3.737 -9.375 1.00 0.00 H new ATOM 129 N PRO A 11 8.202 4.916 -4.586 1.00 0.00 N ATOM 130 CA PRO A 11 9.469 4.698 -3.887 1.00 0.00 C ATOM 131 C PRO A 11 9.519 3.316 -3.224 1.00 0.00 C ATOM 132 O PRO A 11 8.506 2.833 -2.728 1.00 0.00 O ATOM 133 CB PRO A 11 9.525 5.809 -2.831 1.00 0.00 C ATOM 134 CG PRO A 11 8.062 6.127 -2.558 1.00 0.00 C ATOM 135 CD PRO A 11 7.460 6.003 -3.951 1.00 0.00 C ATOM 0 HA PRO A 11 10.317 4.728 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.037 5.477 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.062 6.683 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.614 5.426 -1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.930 7.126 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.395 5.778 -3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.565 6.932 -4.511 1.00 0.00 H new ATOM 143 N ASN A 12 10.683 2.668 -3.156 1.00 0.00 N ATOM 144 CA ASN A 12 10.786 1.394 -2.441 1.00 0.00 C ATOM 145 C ASN A 12 10.840 1.660 -0.925 1.00 0.00 C ATOM 146 O ASN A 12 11.424 2.655 -0.480 1.00 0.00 O ATOM 147 CB ASN A 12 12.015 0.612 -2.934 1.00 0.00 C ATOM 148 CG ASN A 12 11.955 0.250 -4.411 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.843 0.574 -5.186 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.916 -0.419 -4.861 1.00 0.00 N ATOM 0 H ASN A 12 11.552 2.995 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 12 9.908 0.780 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.911 1.206 -2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.113 -0.302 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.856 -0.663 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.170 -0.694 -4.222 1.00 0.00 H new ATOM 157 N ARG A 13 10.222 0.784 -0.120 1.00 0.00 N ATOM 158 CA ARG A 13 10.109 0.936 1.348 1.00 0.00 C ATOM 159 C ARG A 13 10.771 -0.184 2.154 1.00 0.00 C ATOM 160 O ARG A 13 10.298 -0.545 3.233 1.00 0.00 O ATOM 161 CB ARG A 13 8.635 1.145 1.745 1.00 0.00 C ATOM 162 CG ARG A 13 7.895 2.302 1.061 1.00 0.00 C ATOM 163 CD ARG A 13 8.603 3.667 1.071 1.00 0.00 C ATOM 164 NE ARG A 13 9.103 4.048 2.408 1.00 0.00 N ATOM 165 CZ ARG A 13 10.342 4.355 2.752 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.347 4.300 1.922 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.604 4.724 3.973 1.00 0.00 N ATOM 0 H ARG A 13 9.778 -0.065 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 13 10.679 1.826 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.092 0.223 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.592 1.303 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.707 2.022 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.923 2.418 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.438 3.642 0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.912 4.431 0.716 1.00 0.00 H new ATOM 0 HE ARG A 13 8.409 4.078 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.195 4.009 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.284 4.548 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.854 4.776 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.559 4.961 4.240 1.00 0.00 H new ATOM 181 N GLY A 14 11.842 -0.765 1.618 1.00 0.00 N ATOM 182 CA GLY A 14 12.583 -1.859 2.269 1.00 0.00 C ATOM 183 C GLY A 14 11.695 -3.061 2.618 1.00 0.00 C ATOM 184 O GLY A 14 11.862 -3.670 3.675 1.00 0.00 O ATOM 0 H GLY A 14 12.228 -0.493 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.387 -2.188 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.050 -1.483 3.179 1.00 0.00 H new ATOM 188 N ASN A 15 10.736 -3.355 1.727 1.00 0.00 N ATOM 189 CA ASN A 15 9.739 -4.434 1.770 1.00 0.00 C ATOM 190 C ASN A 15 8.468 -4.112 2.606 1.00 0.00 C ATOM 191 O ASN A 15 7.625 -4.989 2.798 1.00 0.00 O ATOM 192 CB ASN A 15 10.368 -5.794 2.165 1.00 0.00 C ATOM 193 CG ASN A 15 11.569 -6.283 1.365 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.202 -5.586 0.580 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.924 -7.535 1.548 1.00 0.00 N ATOM 0 H ASN A 15 10.630 -2.793 0.883 1.00 0.00 H new ATOM 0 HA ASN A 15 9.380 -4.519 0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.666 -5.733 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.590 -6.554 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.720 -7.919 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.403 -8.123 2.199 1.00 0.00 H new ATOM 202 N THR A 16 8.284 -2.878 3.099 1.00 0.00 N ATOM 203 CA THR A 16 7.108 -2.485 3.911 1.00 0.00 C ATOM 204 C THR A 16 5.831 -2.419 3.060 1.00 0.00 C ATOM 205 O THR A 16 5.771 -1.608 2.137 1.00 0.00 O ATOM 206 CB THR A 16 7.363 -1.116 4.573 1.00 0.00 C ATOM 207 OG1 THR A 16 8.490 -1.187 5.423 1.00 0.00 O ATOM 208 CG2 THR A 16 6.199 -0.606 5.419 1.00 0.00 C ATOM 0 H THR A 16 8.946 -2.117 2.949 1.00 0.00 H new ATOM 0 HA THR A 16 6.963 -3.245 4.679 1.00 0.00 H new ATOM 0 HB THR A 16 7.512 -0.426 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.300 -0.984 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.458 0.361 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.313 -0.499 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.993 -1.316 6.220 1.00 0.00 H new ATOM 216 N CYS A 17 4.806 -3.233 3.357 1.00 0.00 N ATOM 217 CA CYS A 17 3.537 -3.279 2.621 1.00 0.00 C ATOM 218 C CYS A 17 2.358 -2.990 3.571 1.00 0.00 C ATOM 219 O CYS A 17 2.041 -3.810 4.436 1.00 0.00 O ATOM 220 CB CYS A 17 3.400 -4.658 1.955 1.00 0.00 C ATOM 221 SG CYS A 17 4.793 -5.007 0.840 1.00 0.00 S ATOM 0 H CYS A 17 4.839 -3.892 4.134 1.00 0.00 H new ATOM 0 HA CYS A 17 3.525 -2.512 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.346 -5.429 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.466 -4.701 1.395 1.00 0.00 H new ATOM 0 HG CYS A 17 5.901 -5.013 1.519 1.00 0.00 H new ATOM 227 N LEU A 18 1.731 -1.817 3.424 1.00 0.00 N ATOM 228 CA LEU A 18 0.644 -1.297 4.273 1.00 0.00 C ATOM 229 C LEU A 18 -0.668 -1.068 3.515 1.00 0.00 C ATOM 230 O LEU A 18 -0.690 -0.645 2.359 1.00 0.00 O ATOM 231 CB LEU A 18 1.110 0.025 4.928 1.00 0.00 C ATOM 232 CG LEU A 18 1.814 -0.092 6.294 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.877 -1.182 6.365 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.468 1.246 6.644 1.00 0.00 C ATOM 0 H LEU A 18 1.977 -1.171 2.674 1.00 0.00 H new ATOM 0 HA LEU A 18 0.432 -2.055 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.788 0.527 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.240 0.671 5.047 1.00 0.00 H new ATOM 0 HG LEU A 18 1.035 -0.366 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.320 -1.194 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.420 -2.150 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.652 -0.983 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.967 1.166 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.199 1.505 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.704 2.022 6.693 1.00 0.00 H new ATOM 246 N GLU A 19 -1.767 -1.299 4.229 1.00 0.00 N ATOM 247 CA GLU A 19 -3.147 -1.087 3.787 1.00 0.00 C ATOM 248 C GLU A 19 -3.706 0.283 4.203 1.00 0.00 C ATOM 249 O GLU A 19 -4.810 0.622 3.785 1.00 0.00 O ATOM 250 CB GLU A 19 -4.074 -2.190 4.340 1.00 0.00 C ATOM 251 CG GLU A 19 -4.314 -2.211 5.860 1.00 0.00 C ATOM 252 CD GLU A 19 -3.122 -2.759 6.670 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.153 -1.999 6.909 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.158 -3.940 7.090 1.00 0.00 O ATOM 0 H GLU A 19 -1.718 -1.658 5.182 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.121 -1.124 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.041 -2.097 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.660 -3.156 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.536 -1.199 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.195 -2.818 6.071 1.00 0.00 H new ATOM 261 N ASN A 20 -2.995 1.064 5.026 1.00 0.00 N ATOM 262 CA ASN A 20 -3.465 2.369 5.528 1.00 0.00 C ATOM 263 C ASN A 20 -2.346 3.416 5.701 1.00 0.00 C ATOM 264 O ASN A 20 -1.177 3.077 5.899 1.00 0.00 O ATOM 265 CB ASN A 20 -4.187 2.154 6.880 1.00 0.00 C ATOM 266 CG ASN A 20 -5.665 1.832 6.738 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.407 2.508 6.038 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.157 0.815 7.408 1.00 0.00 N ATOM 0 H ASN A 20 -2.068 0.809 5.367 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.140 2.772 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.697 1.342 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.076 3.052 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.151 0.594 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.545 0.246 7.994 1.00 0.00 H new ATOM 275 N GLY A 21 -2.744 4.696 5.675 1.00 0.00 N ATOM 276 CA GLY A 21 -1.886 5.872 5.883 1.00 0.00 C ATOM 277 C GLY A 21 -1.651 6.727 4.630 1.00 0.00 C ATOM 278 O GLY A 21 -2.325 6.568 3.613 1.00 0.00 O ATOM 0 H GLY A 21 -3.716 4.951 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.333 6.499 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.921 5.537 6.264 1.00 0.00 H new ATOM 282 N SER A 22 -0.691 7.651 4.730 1.00 0.00 N ATOM 283 CA SER A 22 -0.224 8.566 3.670 1.00 0.00 C ATOM 284 C SER A 22 1.242 8.917 3.954 1.00 0.00 C ATOM 285 O SER A 22 1.557 9.428 5.032 1.00 0.00 O ATOM 286 CB SER A 22 -1.046 9.860 3.631 1.00 0.00 C ATOM 287 OG SER A 22 -2.352 9.625 3.124 1.00 0.00 O ATOM 0 H SER A 22 -0.185 7.793 5.604 1.00 0.00 H new ATOM 0 HA SER A 22 -0.337 8.069 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.113 10.281 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.539 10.597 3.009 1.00 0.00 H new ATOM 0 HG SER A 22 -2.523 8.661 3.096 1.00 0.00 H new ATOM 293 N PHE A 23 2.158 8.600 3.036 1.00 0.00 N ATOM 294 CA PHE A 23 3.607 8.763 3.231 1.00 0.00 C ATOM 295 C PHE A 23 4.141 10.206 3.151 1.00 0.00 C ATOM 296 O PHE A 23 4.723 10.638 2.155 1.00 0.00 O ATOM 297 CB PHE A 23 4.344 7.796 2.300 1.00 0.00 C ATOM 298 CG PHE A 23 5.834 7.615 2.547 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.385 7.704 3.843 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.678 7.315 1.461 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.766 7.537 4.035 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.063 7.172 1.652 1.00 0.00 C ATOM 303 CZ PHE A 23 8.613 7.322 2.936 1.00 0.00 C ATOM 0 H PHE A 23 1.914 8.217 2.122 1.00 0.00 H new ATOM 0 HA PHE A 23 3.813 8.508 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.865 6.820 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.208 8.140 1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.743 7.901 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.258 7.194 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.178 7.574 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.704 6.947 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.683 7.272 3.077 1.00 0.00 H new ATOM 313 N LEU A 24 3.941 10.968 4.228 1.00 0.00 N ATOM 314 CA LEU A 24 4.321 12.380 4.346 1.00 0.00 C ATOM 315 C LEU A 24 5.782 12.721 3.984 1.00 0.00 C ATOM 316 O LEU A 24 6.052 13.823 3.507 1.00 0.00 O ATOM 317 CB LEU A 24 3.977 12.895 5.756 1.00 0.00 C ATOM 318 CG LEU A 24 2.525 12.680 6.231 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.297 13.432 7.542 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.473 13.148 5.222 1.00 0.00 C ATOM 0 H LEU A 24 3.495 10.608 5.072 1.00 0.00 H new ATOM 0 HA LEU A 24 3.734 12.895 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.645 12.411 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.193 13.963 5.792 1.00 0.00 H new ATOM 0 HG LEU A 24 2.405 11.604 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.271 13.279 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.985 13.058 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.473 14.496 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.477 12.965 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.598 14.214 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.594 12.598 4.289 1.00 0.00 H new ATOM 332 N LEU A 25 6.723 11.787 4.176 1.00 0.00 N ATOM 333 CA LEU A 25 8.141 11.970 3.819 1.00 0.00 C ATOM 334 C LEU A 25 8.390 11.980 2.294 1.00 0.00 C ATOM 335 O LEU A 25 9.405 12.520 1.852 1.00 0.00 O ATOM 336 CB LEU A 25 9.004 10.898 4.510 1.00 0.00 C ATOM 337 CG LEU A 25 9.024 10.960 6.051 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.977 9.895 6.600 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.484 12.316 6.594 1.00 0.00 C ATOM 0 H LEU A 25 6.523 10.875 4.587 1.00 0.00 H new ATOM 0 HA LEU A 25 8.433 12.957 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.644 9.915 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.027 10.989 4.146 1.00 0.00 H new ATOM 0 HG LEU A 25 7.997 10.791 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.988 9.943 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.641 8.908 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.982 10.075 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.476 12.293 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.495 12.525 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.810 13.097 6.242 1.00 0.00 H new ATOM 351 N ASN A 26 7.463 11.448 1.488 1.00 0.00 N ATOM 352 CA ASN A 26 7.516 11.488 0.021 1.00 0.00 C ATOM 353 C ASN A 26 6.568 12.579 -0.496 1.00 0.00 C ATOM 354 O ASN A 26 6.877 13.230 -1.486 1.00 0.00 O ATOM 355 CB ASN A 26 7.131 10.110 -0.539 1.00 0.00 C ATOM 356 CG ASN A 26 7.327 10.011 -2.047 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.194 10.632 -2.628 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.561 9.225 -2.753 1.00 0.00 N ATOM 0 H ASN A 26 6.637 10.967 1.845 1.00 0.00 H new ATOM 0 HA ASN A 26 8.526 11.726 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.730 9.343 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.088 9.903 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.701 9.147 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.823 8.689 -2.297 1.00 0.00 H new ATOM 365 N PHE A 27 5.438 12.816 0.175 1.00 0.00 N ATOM 366 CA PHE A 27 4.522 13.902 -0.194 1.00 0.00 C ATOM 367 C PHE A 27 5.201 15.261 0.030 1.00 0.00 C ATOM 368 O PHE A 27 5.394 15.693 1.168 1.00 0.00 O ATOM 369 CB PHE A 27 3.210 13.825 0.592 1.00 0.00 C ATOM 370 CG PHE A 27 2.172 14.871 0.200 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.715 14.969 -1.130 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.630 15.731 1.175 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.705 15.887 -1.485 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.616 16.643 0.827 1.00 0.00 C ATOM 375 CZ PHE A 27 0.144 16.710 -0.496 1.00 0.00 C ATOM 0 H PHE A 27 5.133 12.269 0.980 1.00 0.00 H new ATOM 0 HA PHE A 27 4.279 13.792 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.777 12.834 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.431 13.932 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.145 14.331 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.993 15.691 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.366 15.956 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.198 17.295 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.651 17.395 -0.751 1.00 0.00 H new ATOM 385 N THR A 28 5.546 15.955 -1.049 1.00 0.00 N ATOM 386 CA THR A 28 6.183 17.289 -1.004 1.00 0.00 C ATOM 387 C THR A 28 5.151 18.422 -0.946 1.00 0.00 C ATOM 388 O THR A 28 5.511 19.602 -0.937 1.00 0.00 O ATOM 389 CB THR A 28 7.114 17.507 -2.210 1.00 0.00 C ATOM 390 OG1 THR A 28 6.422 17.309 -3.422 1.00 0.00 O ATOM 391 CG2 THR A 28 8.290 16.533 -2.193 1.00 0.00 C ATOM 0 H THR A 28 5.394 15.612 -1.998 1.00 0.00 H new ATOM 0 HA THR A 28 6.772 17.314 -0.087 1.00 0.00 H new ATOM 0 HB THR A 28 7.477 18.532 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.032 17.454 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.926 16.716 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.869 16.677 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.916 15.510 -2.227 1.00 0.00 H new ATOM 399 N GLY A 29 3.863 18.066 -0.919 1.00 0.00 N ATOM 400 CA GLY A 29 2.726 18.976 -0.965 1.00 0.00 C ATOM 401 C GLY A 29 2.194 19.057 -2.401 1.00 0.00 C ATOM 402 O GLY A 29 2.958 18.883 -3.356 1.00 0.00 O ATOM 0 H GLY A 29 3.577 17.089 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.941 18.628 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.025 19.966 -0.620 1.00 0.00 H new ATOM 406 N CYS A 30 0.893 19.310 -2.538 1.00 0.00 N ATOM 407 CA CYS A 30 0.175 19.373 -3.803 1.00 0.00 C ATOM 408 C CYS A 30 0.795 20.322 -4.835 1.00 0.00 C ATOM 409 O CYS A 30 1.620 21.193 -4.526 1.00 0.00 O ATOM 410 CB CYS A 30 -1.299 19.743 -3.525 1.00 0.00 C ATOM 411 SG CYS A 30 -2.430 19.294 -4.905 1.00 0.00 S ATOM 0 H CYS A 30 0.289 19.483 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 30 0.243 18.385 -4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.628 19.240 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.369 20.815 -3.340 1.00 0.00 H new ATOM 416 N ALA A 31 0.318 20.201 -6.063 1.00 0.00 N ATOM 417 CA ALA A 31 0.634 21.105 -7.159 1.00 0.00 C ATOM 418 C ALA A 31 -0.632 21.689 -7.814 1.00 0.00 C ATOM 419 O ALA A 31 -0.519 22.683 -8.541 1.00 0.00 O ATOM 420 CB ALA A 31 1.603 20.470 -8.157 1.00 0.00 C ATOM 0 H ALA A 31 -0.318 19.450 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 31 1.161 21.960 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.814 21.177 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.532 20.211 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.155 19.569 -8.575 1.00 0.00 H new ATOM 426 N VAL A 32 -1.833 21.171 -7.514 1.00 0.00 N ATOM 427 CA VAL A 32 -3.091 21.784 -7.965 1.00 0.00 C ATOM 428 C VAL A 32 -3.361 23.049 -7.129 1.00 0.00 C ATOM 429 O VAL A 32 -3.856 24.041 -7.675 1.00 0.00 O ATOM 430 CB VAL A 32 -4.287 20.798 -7.905 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.669 21.458 -8.058 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.212 19.758 -9.033 1.00 0.00 C ATOM 0 H VAL A 32 -1.959 20.325 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.984 22.057 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.198 20.357 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.445 20.694 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.817 22.183 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.726 21.965 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.065 19.082 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.230 20.265 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.288 19.187 -8.941 1.00 0.00 H new ATOM 442 N CYS A 33 -3.007 23.035 -5.837 1.00 0.00 N ATOM 443 CA CYS A 33 -3.206 24.131 -4.881 1.00 0.00 C ATOM 444 C CYS A 33 -1.979 24.524 -4.016 1.00 0.00 C ATOM 445 O CYS A 33 -1.979 25.616 -3.434 1.00 0.00 O ATOM 446 CB CYS A 33 -4.363 23.734 -3.961 1.00 0.00 C ATOM 447 SG CYS A 33 -3.868 22.331 -2.906 1.00 0.00 S ATOM 0 H CYS A 33 -2.555 22.225 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.407 25.019 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.652 24.582 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.235 23.462 -4.556 1.00 0.00 H new ATOM 452 N SER A 34 -0.941 23.678 -3.942 1.00 0.00 N ATOM 453 CA SER A 34 0.314 23.893 -3.185 1.00 0.00 C ATOM 454 C SER A 34 0.259 23.589 -1.662 1.00 0.00 C ATOM 455 O SER A 34 1.151 24.013 -0.916 1.00 0.00 O ATOM 456 CB SER A 34 0.919 25.279 -3.495 1.00 0.00 C ATOM 457 OG SER A 34 2.336 25.274 -3.385 1.00 0.00 O ATOM 0 H SER A 34 -0.948 22.782 -4.429 1.00 0.00 H new ATOM 0 HA SER A 34 0.992 23.124 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.634 25.583 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.504 26.018 -2.810 1.00 0.00 H new ATOM 0 HG SER A 34 2.597 24.850 -2.541 1.00 0.00 H new ATOM 463 N LYS A 35 -0.748 22.859 -1.150 1.00 0.00 N ATOM 464 CA LYS A 35 -0.862 22.510 0.293 1.00 0.00 C ATOM 465 C LYS A 35 -0.060 21.256 0.678 1.00 0.00 C ATOM 466 O LYS A 35 0.023 20.307 -0.096 1.00 0.00 O ATOM 467 CB LYS A 35 -2.340 22.286 0.651 1.00 0.00 C ATOM 468 CG LYS A 35 -3.103 23.614 0.814 1.00 0.00 C ATOM 469 CD LYS A 35 -3.604 23.792 2.248 1.00 0.00 C ATOM 470 CE LYS A 35 -4.214 25.188 2.423 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.632 25.433 3.827 1.00 0.00 N ATOM 0 H LYS A 35 -1.510 22.490 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.444 23.347 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.815 21.689 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.406 21.714 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.451 24.446 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.948 23.638 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.348 23.030 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.780 23.656 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.487 25.943 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.075 25.294 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.512 25.988 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.791 24.523 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.886 25.960 4.324 1.00 0.00 H new ATOM 485 N ARG A 36 0.470 21.209 1.909 1.00 0.00 N ATOM 486 CA ARG A 36 1.189 20.052 2.494 1.00 0.00 C ATOM 487 C ARG A 36 0.492 19.595 3.787 1.00 0.00 C ATOM 488 O ARG A 36 -0.294 20.353 4.345 1.00 0.00 O ATOM 489 CB ARG A 36 2.679 20.374 2.675 1.00 0.00 C ATOM 490 CG ARG A 36 3.492 19.088 2.908 1.00 0.00 C ATOM 491 CD ARG A 36 4.975 19.297 2.635 1.00 0.00 C ATOM 492 NE ARG A 36 5.702 18.015 2.744 1.00 0.00 N ATOM 493 CZ ARG A 36 6.823 17.751 3.387 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.519 18.672 3.993 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.264 16.529 3.428 1.00 0.00 N ATOM 0 H ARG A 36 0.412 21.999 2.552 1.00 0.00 H new ATOM 0 HA ARG A 36 1.149 19.207 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.054 20.891 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.809 21.050 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.356 18.754 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.112 18.296 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.113 19.717 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.384 20.017 3.344 1.00 0.00 H new ATOM 0 HE ARG A 36 5.279 17.226 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.202 19.641 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.381 18.423 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.744 15.783 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.130 16.316 3.923 1.00 0.00 H new ATOM 509 N ASP A 37 0.741 18.358 4.237 1.00 0.00 N ATOM 510 CA ASP A 37 0.109 17.705 5.409 1.00 0.00 C ATOM 511 C ASP A 37 -1.437 17.725 5.416 1.00 0.00 C ATOM 512 O ASP A 37 -2.106 17.664 6.449 1.00 0.00 O ATOM 513 CB ASP A 37 0.762 18.138 6.730 1.00 0.00 C ATOM 514 CG ASP A 37 0.587 19.612 7.147 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.423 19.955 7.807 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.522 20.415 6.907 1.00 0.00 O ATOM 0 H ASP A 37 1.419 17.750 3.778 1.00 0.00 H new ATOM 0 HA ASP A 37 0.324 16.642 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.363 17.511 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.830 17.929 6.665 1.00 0.00 H new ATOM 521 N PHE A 38 -1.991 17.790 4.208 1.00 0.00 N ATOM 522 CA PHE A 38 -3.405 17.869 3.855 1.00 0.00 C ATOM 523 C PHE A 38 -3.817 16.701 2.954 1.00 0.00 C ATOM 524 O PHE A 38 -3.615 16.731 1.741 1.00 0.00 O ATOM 525 CB PHE A 38 -3.709 19.225 3.194 1.00 0.00 C ATOM 526 CG PHE A 38 -4.122 20.342 4.139 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.354 20.694 5.267 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.327 21.026 3.891 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.772 21.740 6.109 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.744 22.076 4.725 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.965 22.434 5.839 1.00 0.00 C ATOM 0 H PHE A 38 -1.405 17.789 3.373 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.996 17.793 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.824 19.547 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.504 19.081 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.442 20.159 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.939 20.740 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.174 22.011 6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.660 22.607 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.282 23.239 6.485 1.00 0.00 H new ATOM 541 N MET A 39 -4.431 15.678 3.551 1.00 0.00 N ATOM 542 CA MET A 39 -4.936 14.505 2.819 1.00 0.00 C ATOM 543 C MET A 39 -6.011 13.684 3.549 1.00 0.00 C ATOM 544 O MET A 39 -6.033 13.580 4.775 1.00 0.00 O ATOM 545 CB MET A 39 -3.803 13.565 2.355 1.00 0.00 C ATOM 546 CG MET A 39 -2.703 13.314 3.400 1.00 0.00 C ATOM 547 SD MET A 39 -1.089 14.058 3.036 1.00 0.00 S ATOM 548 CE MET A 39 -0.680 13.184 1.498 1.00 0.00 C ATOM 0 H MET A 39 -4.595 15.635 4.557 1.00 0.00 H new ATOM 0 HA MET A 39 -5.423 14.952 1.952 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.239 12.607 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.345 13.986 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.048 13.692 4.362 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.570 12.238 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.383 12.944 1.488 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.261 12.264 1.437 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.917 13.819 0.645 1.00 0.00 H new ATOM 558 N LEU A 40 -6.869 13.076 2.726 1.00 0.00 N ATOM 559 CA LEU A 40 -8.008 12.192 2.993 1.00 0.00 C ATOM 560 C LEU A 40 -7.875 10.904 2.154 1.00 0.00 C ATOM 561 O LEU A 40 -7.091 10.846 1.203 1.00 0.00 O ATOM 562 CB LEU A 40 -9.308 12.941 2.597 1.00 0.00 C ATOM 563 CG LEU A 40 -10.028 13.798 3.655 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.057 12.956 4.417 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.129 14.430 4.702 1.00 0.00 C ATOM 0 H LEU A 40 -6.766 13.211 1.720 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.035 11.922 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.070 13.590 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.019 12.198 2.236 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.480 14.601 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.556 13.577 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.795 12.563 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.552 12.128 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.734 15.011 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.600 13.648 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.407 15.085 4.214 1.00 0.00 H new ATOM 577 N ILE A 41 -8.686 9.892 2.472 1.00 0.00 N ATOM 578 CA ILE A 41 -8.788 8.603 1.770 1.00 0.00 C ATOM 579 C ILE A 41 -10.271 8.378 1.455 1.00 0.00 C ATOM 580 O ILE A 41 -11.130 8.563 2.322 1.00 0.00 O ATOM 581 CB ILE A 41 -8.199 7.463 2.640 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.659 7.597 2.723 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.608 6.065 2.116 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.997 6.707 3.789 1.00 0.00 C ATOM 0 H ILE A 41 -9.323 9.949 3.266 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.212 8.610 0.845 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.615 7.559 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.233 7.354 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.408 8.637 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.174 5.296 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.694 5.976 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.244 5.938 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.919 6.866 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.390 6.964 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.212 5.660 3.574 1.00 0.00 H new ATOM 596 N THR A 42 -10.578 7.971 0.222 1.00 0.00 N ATOM 597 CA THR A 42 -11.954 7.686 -0.226 1.00 0.00 C ATOM 598 C THR A 42 -11.993 6.558 -1.261 1.00 0.00 C ATOM 599 O THR A 42 -10.944 6.095 -1.714 1.00 0.00 O ATOM 600 CB THR A 42 -12.648 8.965 -0.739 1.00 0.00 C ATOM 601 OG1 THR A 42 -14.033 8.842 -0.496 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.485 9.224 -2.240 1.00 0.00 C ATOM 0 H THR A 42 -9.877 7.827 -0.505 1.00 0.00 H new ATOM 0 HA THR A 42 -12.516 7.335 0.639 1.00 0.00 H new ATOM 0 HB THR A 42 -12.176 9.794 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.494 9.647 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.005 10.143 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.426 9.323 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.907 8.390 -2.801 1.00 0.00 H new ATOM 610 N ASN A 43 -13.197 6.118 -1.646 1.00 0.00 N ATOM 611 CA ASN A 43 -13.493 5.056 -2.632 1.00 0.00 C ATOM 612 C ASN A 43 -12.839 3.679 -2.342 1.00 0.00 C ATOM 613 O ASN A 43 -12.802 2.793 -3.197 1.00 0.00 O ATOM 614 CB ASN A 43 -13.311 5.628 -4.064 1.00 0.00 C ATOM 615 CG ASN A 43 -12.126 5.119 -4.875 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.273 4.601 -5.975 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.925 5.272 -4.379 1.00 0.00 N ATOM 0 H ASN A 43 -14.051 6.517 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.541 4.774 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.220 5.420 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.225 6.712 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.111 4.960 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.803 5.703 -3.463 1.00 0.00 H new ATOM 624 N LYS A 44 -12.317 3.516 -1.121 1.00 0.00 N ATOM 625 CA LYS A 44 -11.602 2.351 -0.592 1.00 0.00 C ATOM 626 C LYS A 44 -12.361 1.029 -0.729 1.00 0.00 C ATOM 627 O LYS A 44 -13.393 0.820 -0.083 1.00 0.00 O ATOM 628 CB LYS A 44 -11.264 2.642 0.876 1.00 0.00 C ATOM 629 CG LYS A 44 -10.214 1.671 1.433 1.00 0.00 C ATOM 630 CD LYS A 44 -9.213 2.405 2.322 1.00 0.00 C ATOM 631 CE LYS A 44 -8.091 1.466 2.751 1.00 0.00 C ATOM 632 NZ LYS A 44 -6.972 2.240 3.333 1.00 0.00 N ATOM 0 H LYS A 44 -12.390 4.255 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.701 2.209 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.896 3.664 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.172 2.576 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.707 0.885 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.689 1.185 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.797 3.257 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.721 2.800 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.466 0.749 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.739 0.892 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.070 1.786 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.987 3.209 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.071 2.269 4.368 1.00 0.00 H new ATOM 646 N SER A 45 -11.818 0.139 -1.549 1.00 0.00 N ATOM 647 CA SER A 45 -12.314 -1.216 -1.780 1.00 0.00 C ATOM 648 C SER A 45 -11.426 -2.285 -1.144 1.00 0.00 C ATOM 649 O SER A 45 -10.222 -2.100 -0.944 1.00 0.00 O ATOM 650 CB SER A 45 -12.454 -1.472 -3.286 1.00 0.00 C ATOM 651 OG SER A 45 -13.550 -0.738 -3.811 1.00 0.00 O ATOM 0 H SER A 45 -10.983 0.349 -2.096 1.00 0.00 H new ATOM 0 HA SER A 45 -13.290 -1.288 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.536 -1.183 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.600 -2.537 -3.469 1.00 0.00 H new ATOM 0 HG SER A 45 -13.627 -0.909 -4.773 1.00 0.00 H new ATOM 657 N LEU A 46 -12.032 -3.443 -0.879 1.00 0.00 N ATOM 658 CA LEU A 46 -11.396 -4.643 -0.341 1.00 0.00 C ATOM 659 C LEU A 46 -11.949 -5.875 -1.068 1.00 0.00 C ATOM 660 O LEU A 46 -13.152 -5.970 -1.328 1.00 0.00 O ATOM 661 CB LEU A 46 -11.572 -4.713 1.188 1.00 0.00 C ATOM 662 CG LEU A 46 -11.122 -6.060 1.811 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.493 -5.841 3.188 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.278 -7.049 2.003 1.00 0.00 C ATOM 0 H LEU A 46 -13.030 -3.574 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.321 -4.611 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.004 -3.904 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.621 -4.544 1.431 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.404 -6.476 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.186 -6.800 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.623 -5.192 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.222 -5.375 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.898 -7.971 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.025 -6.612 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.734 -7.268 1.037 1.00 0.00 H new ATOM 676 N LYS A 47 -11.054 -6.807 -1.403 1.00 0.00 N ATOM 677 CA LYS A 47 -11.333 -8.052 -2.118 1.00 0.00 C ATOM 678 C LYS A 47 -10.688 -9.237 -1.420 1.00 0.00 C ATOM 679 O LYS A 47 -9.603 -9.102 -0.862 1.00 0.00 O ATOM 680 CB LYS A 47 -10.803 -7.959 -3.554 1.00 0.00 C ATOM 681 CG LYS A 47 -11.719 -8.677 -4.554 1.00 0.00 C ATOM 682 CD LYS A 47 -11.265 -8.599 -6.021 1.00 0.00 C ATOM 683 CE LYS A 47 -9.809 -9.047 -6.215 1.00 0.00 C ATOM 684 NZ LYS A 47 -9.527 -9.448 -7.615 1.00 0.00 N ATOM 0 H LYS A 47 -10.066 -6.708 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.413 -8.200 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.708 -6.911 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.805 -8.394 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.793 -9.726 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.720 -8.253 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.917 -9.222 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.376 -7.575 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.140 -8.235 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.597 -9.884 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.539 -9.223 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.684 -10.471 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.160 -8.932 -8.258 1.00 0.00 H new ATOM 698 N GLU A 48 -11.321 -10.399 -1.472 1.00 0.00 N ATOM 699 CA GLU A 48 -10.724 -11.625 -0.926 1.00 0.00 C ATOM 700 C GLU A 48 -10.984 -12.815 -1.866 1.00 0.00 C ATOM 701 O GLU A 48 -12.128 -13.229 -2.063 1.00 0.00 O ATOM 702 CB GLU A 48 -11.313 -11.910 0.469 1.00 0.00 C ATOM 703 CG GLU A 48 -11.076 -10.813 1.515 1.00 0.00 C ATOM 704 CD GLU A 48 -11.664 -11.238 2.875 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.009 -12.013 3.616 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.798 -10.814 3.212 1.00 0.00 O ATOM 0 H GLU A 48 -12.245 -10.527 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.646 -11.486 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.387 -12.067 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.889 -12.842 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.008 -10.622 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.537 -9.881 1.186 1.00 0.00 H new ATOM 713 N GLU A 49 -9.914 -13.388 -2.428 1.00 0.00 N ATOM 714 CA GLU A 49 -9.936 -14.605 -3.257 1.00 0.00 C ATOM 715 C GLU A 49 -9.110 -15.758 -2.669 1.00 0.00 C ATOM 716 O GLU A 49 -7.894 -15.642 -2.560 1.00 0.00 O ATOM 717 CB GLU A 49 -9.525 -14.313 -4.708 1.00 0.00 C ATOM 718 CG GLU A 49 -10.556 -13.432 -5.436 1.00 0.00 C ATOM 719 CD GLU A 49 -10.256 -13.299 -6.943 1.00 0.00 C ATOM 720 OE1 GLU A 49 -10.267 -14.324 -7.668 1.00 0.00 O ATOM 721 OE2 GLU A 49 -10.048 -12.157 -7.423 1.00 0.00 O ATOM 0 H GLU A 49 -8.975 -13.006 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.973 -14.941 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.555 -13.817 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.407 -15.253 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.551 -13.856 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.568 -12.441 -4.982 1.00 0.00 H new ATOM 728 N ASP A 50 -9.720 -16.912 -2.405 1.00 0.00 N ATOM 729 CA ASP A 50 -9.061 -18.177 -1.997 1.00 0.00 C ATOM 730 C ASP A 50 -7.972 -18.121 -0.886 1.00 0.00 C ATOM 731 O ASP A 50 -7.124 -19.011 -0.779 1.00 0.00 O ATOM 732 CB ASP A 50 -8.526 -18.827 -3.290 1.00 0.00 C ATOM 733 CG ASP A 50 -8.256 -20.339 -3.162 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.127 -21.073 -2.631 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.201 -20.812 -3.650 1.00 0.00 O ATOM 0 H ASP A 50 -10.733 -17.008 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.824 -18.769 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.245 -18.663 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.603 -18.326 -3.582 1.00 0.00 H new ATOM 740 N GLY A 51 -7.969 -17.067 -0.066 1.00 0.00 N ATOM 741 CA GLY A 51 -6.992 -16.802 1.008 1.00 0.00 C ATOM 742 C GLY A 51 -6.206 -15.499 0.804 1.00 0.00 C ATOM 743 O GLY A 51 -5.687 -14.933 1.767 1.00 0.00 O ATOM 0 H GLY A 51 -8.679 -16.337 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.515 -16.757 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.292 -17.635 1.067 1.00 0.00 H new ATOM 747 N GLU A 52 -6.146 -14.995 -0.431 1.00 0.00 N ATOM 748 CA GLU A 52 -5.537 -13.709 -0.779 1.00 0.00 C ATOM 749 C GLU A 52 -6.481 -12.577 -0.353 1.00 0.00 C ATOM 750 O GLU A 52 -7.686 -12.648 -0.594 1.00 0.00 O ATOM 751 CB GLU A 52 -5.257 -13.657 -2.299 1.00 0.00 C ATOM 752 CG GLU A 52 -4.683 -12.327 -2.828 1.00 0.00 C ATOM 753 CD GLU A 52 -4.534 -12.286 -4.370 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.009 -13.200 -5.090 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.951 -11.303 -4.890 1.00 0.00 O ATOM 0 H GLU A 52 -6.531 -15.484 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.588 -13.590 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.560 -14.457 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.186 -13.867 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.331 -11.510 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.708 -12.155 -2.372 1.00 0.00 H new ATOM 762 N GLU A 53 -5.938 -11.515 0.236 1.00 0.00 N ATOM 763 CA GLU A 53 -6.655 -10.309 0.648 1.00 0.00 C ATOM 764 C GLU A 53 -6.094 -9.115 -0.128 1.00 0.00 C ATOM 765 O GLU A 53 -4.880 -8.918 -0.175 1.00 0.00 O ATOM 766 CB GLU A 53 -6.511 -10.070 2.162 1.00 0.00 C ATOM 767 CG GLU A 53 -7.106 -11.198 3.017 1.00 0.00 C ATOM 768 CD GLU A 53 -7.036 -10.858 4.520 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.720 -9.906 4.969 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.303 -11.546 5.271 1.00 0.00 O ATOM 0 H GLU A 53 -4.942 -11.468 0.449 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.716 -10.432 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.455 -9.958 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.999 -9.131 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.143 -11.368 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.566 -12.125 2.826 1.00 0.00 H new ATOM 777 N ILE A 54 -6.953 -8.307 -0.747 1.00 0.00 N ATOM 778 CA ILE A 54 -6.548 -7.167 -1.562 1.00 0.00 C ATOM 779 C ILE A 54 -7.231 -5.904 -1.044 1.00 0.00 C ATOM 780 O ILE A 54 -8.414 -5.935 -0.705 1.00 0.00 O ATOM 781 CB ILE A 54 -6.898 -7.411 -3.048 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.334 -8.744 -3.604 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.337 -6.244 -3.865 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.298 -9.939 -3.500 1.00 0.00 C ATOM 0 H ILE A 54 -7.964 -8.429 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.468 -7.040 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.983 -7.479 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.064 -8.601 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.416 -8.987 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.571 -6.392 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.784 -5.311 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.256 -6.197 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.821 -10.828 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.549 -10.114 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.208 -9.723 -4.060 1.00 0.00 H new ATOM 796 N VAL A 55 -6.504 -4.788 -1.018 1.00 0.00 N ATOM 797 CA VAL A 55 -7.011 -3.474 -0.606 1.00 0.00 C ATOM 798 C VAL A 55 -6.583 -2.440 -1.641 1.00 0.00 C ATOM 799 O VAL A 55 -5.389 -2.208 -1.840 1.00 0.00 O ATOM 800 CB VAL A 55 -6.440 -3.101 0.777 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.998 -1.764 1.275 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.742 -4.181 1.827 1.00 0.00 C ATOM 0 H VAL A 55 -5.521 -4.769 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.099 -3.501 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.361 -3.017 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.573 -1.534 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.735 -0.975 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.083 -1.831 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.323 -3.881 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.821 -4.303 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.296 -5.126 1.516 1.00 0.00 H new ATOM 812 N THR A 56 -7.549 -1.801 -2.296 1.00 0.00 N ATOM 813 CA THR A 56 -7.305 -0.735 -3.281 1.00 0.00 C ATOM 814 C THR A 56 -8.005 0.571 -2.894 1.00 0.00 C ATOM 815 O THR A 56 -9.176 0.558 -2.513 1.00 0.00 O ATOM 816 CB THR A 56 -7.598 -1.200 -4.716 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.974 -1.451 -4.914 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.845 -2.495 -5.050 1.00 0.00 C ATOM 0 H THR A 56 -8.539 -2.007 -2.160 1.00 0.00 H new ATOM 0 HA THR A 56 -6.239 -0.507 -3.265 1.00 0.00 H new ATOM 0 HB THR A 56 -7.268 -0.389 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.124 -1.743 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.075 -2.796 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.772 -2.327 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.153 -3.283 -4.362 1.00 0.00 H new ATOM 826 N TYR A 57 -7.315 1.710 -2.972 1.00 0.00 N ATOM 827 CA TYR A 57 -7.878 3.028 -2.636 1.00 0.00 C ATOM 828 C TYR A 57 -7.158 4.196 -3.331 1.00 0.00 C ATOM 829 O TYR A 57 -6.295 4.001 -4.193 1.00 0.00 O ATOM 830 CB TYR A 57 -7.934 3.210 -1.110 1.00 0.00 C ATOM 831 CG TYR A 57 -6.626 3.216 -0.340 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.024 1.992 0.005 1.00 0.00 C ATOM 833 CD2 TYR A 57 -6.076 4.424 0.132 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.893 1.967 0.842 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.952 4.405 0.980 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.360 3.177 1.344 1.00 0.00 C ATOM 837 OH TYR A 57 -3.326 3.159 2.225 1.00 0.00 O ATOM 0 H TYR A 57 -6.341 1.749 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.896 3.050 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.445 4.151 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.557 2.414 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.432 1.067 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.517 5.366 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.433 1.025 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.542 5.332 1.353 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.085 4.078 2.465 1.00 0.00 H new ATOM 847 N ASP A 58 -7.483 5.423 -2.921 1.00 0.00 N ATOM 848 CA ASP A 58 -6.945 6.660 -3.476 1.00 0.00 C ATOM 849 C ASP A 58 -6.720 7.667 -2.330 1.00 0.00 C ATOM 850 O ASP A 58 -7.377 7.595 -1.284 1.00 0.00 O ATOM 851 CB ASP A 58 -8.007 7.280 -4.422 1.00 0.00 C ATOM 852 CG ASP A 58 -8.278 6.557 -5.760 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.534 5.331 -5.785 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.334 7.250 -6.803 1.00 0.00 O ATOM 0 H ASP A 58 -8.151 5.585 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.014 6.450 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.949 7.342 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.701 8.302 -4.647 1.00 0.00 H new ATOM 859 N HIS A 59 -5.846 8.648 -2.559 1.00 0.00 N ATOM 860 CA HIS A 59 -5.537 9.744 -1.630 1.00 0.00 C ATOM 861 C HIS A 59 -6.059 11.049 -2.243 1.00 0.00 C ATOM 862 O HIS A 59 -5.947 11.248 -3.452 1.00 0.00 O ATOM 863 CB HIS A 59 -4.026 9.856 -1.368 1.00 0.00 C ATOM 864 CG HIS A 59 -3.332 8.609 -0.860 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.949 8.358 0.443 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.744 7.638 -1.634 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.143 7.279 0.442 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.986 6.803 -0.803 1.00 0.00 N ATOM 0 H HIS A 59 -5.313 8.706 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.017 9.546 -0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.541 10.162 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.864 10.655 -0.645 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.228 8.896 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.849 7.536 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.685 6.854 1.323 1.00 0.00 H new ATOM 876 N LEU A 60 -6.630 11.943 -1.436 1.00 0.00 N ATOM 877 CA LEU A 60 -7.249 13.198 -1.880 1.00 0.00 C ATOM 878 C LEU A 60 -6.773 14.371 -1.034 1.00 0.00 C ATOM 879 O LEU A 60 -6.775 14.279 0.190 1.00 0.00 O ATOM 880 CB LEU A 60 -8.787 13.137 -1.778 1.00 0.00 C ATOM 881 CG LEU A 60 -9.490 12.296 -2.854 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.522 10.807 -2.518 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.951 12.729 -2.976 1.00 0.00 C ATOM 0 H LEU A 60 -6.678 11.813 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.953 13.337 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.053 12.738 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.177 14.154 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.923 12.454 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.031 10.265 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.502 10.434 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.055 10.657 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.445 12.130 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.454 12.585 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.996 13.782 -3.255 1.00 0.00 H new ATOM 895 N CYS A 61 -6.417 15.477 -1.681 1.00 0.00 N ATOM 896 CA CYS A 61 -5.988 16.710 -1.035 1.00 0.00 C ATOM 897 C CYS A 61 -7.094 17.254 -0.110 1.00 0.00 C ATOM 898 O CYS A 61 -8.216 17.504 -0.546 1.00 0.00 O ATOM 899 CB CYS A 61 -5.613 17.672 -2.176 1.00 0.00 C ATOM 900 SG CYS A 61 -4.626 19.093 -1.617 1.00 0.00 S ATOM 0 H CYS A 61 -6.420 15.540 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.128 16.563 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.054 17.125 -2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.524 18.035 -2.651 1.00 0.00 H new ATOM 905 N LYS A 62 -6.818 17.454 1.184 1.00 0.00 N ATOM 906 CA LYS A 62 -7.808 18.010 2.133 1.00 0.00 C ATOM 907 C LYS A 62 -8.231 19.448 1.746 1.00 0.00 C ATOM 908 O LYS A 62 -9.238 19.945 2.252 1.00 0.00 O ATOM 909 CB LYS A 62 -7.228 17.899 3.563 1.00 0.00 C ATOM 910 CG LYS A 62 -7.893 18.701 4.695 1.00 0.00 C ATOM 911 CD LYS A 62 -9.324 18.258 5.008 1.00 0.00 C ATOM 912 CE LYS A 62 -9.934 19.196 6.059 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.316 18.794 6.430 1.00 0.00 N ATOM 0 H LYS A 62 -5.914 17.240 1.606 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.732 17.433 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.249 16.847 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.180 18.197 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.288 18.608 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.901 19.757 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.927 18.272 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.326 17.232 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.306 19.199 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.944 20.215 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.690 19.454 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.922 18.815 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.304 17.831 6.823 1.00 0.00 H new ATOM 927 N ASN A 63 -7.508 20.107 0.834 1.00 0.00 N ATOM 928 CA ASN A 63 -7.793 21.463 0.379 1.00 0.00 C ATOM 929 C ASN A 63 -8.639 21.466 -0.907 1.00 0.00 C ATOM 930 O ASN A 63 -9.802 21.879 -0.864 1.00 0.00 O ATOM 931 CB ASN A 63 -6.470 22.217 0.206 1.00 0.00 C ATOM 932 CG ASN A 63 -6.709 23.623 -0.308 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.396 24.424 0.312 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.156 23.979 -1.439 1.00 0.00 N ATOM 0 H ASN A 63 -6.689 19.698 0.384 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.393 21.977 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.944 22.259 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.827 21.676 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.298 24.922 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.583 23.314 -1.958 1.00 0.00 H new ATOM 941 N CYS A 64 -8.082 21.006 -2.033 1.00 0.00 N ATOM 942 CA CYS A 64 -8.752 20.993 -3.336 1.00 0.00 C ATOM 943 C CYS A 64 -9.490 19.677 -3.678 1.00 0.00 C ATOM 944 O CYS A 64 -10.200 19.613 -4.689 1.00 0.00 O ATOM 945 CB CYS A 64 -7.740 21.415 -4.424 1.00 0.00 C ATOM 946 SG CYS A 64 -6.236 20.375 -4.514 1.00 0.00 S ATOM 0 H CYS A 64 -7.136 20.626 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.564 21.719 -3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.239 21.393 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.441 22.447 -4.242 1.00 0.00 H new ATOM 951 N HIS A 65 -9.364 18.634 -2.843 1.00 0.00 N ATOM 952 CA HIS A 65 -9.956 17.289 -3.023 1.00 0.00 C ATOM 953 C HIS A 65 -9.642 16.616 -4.366 1.00 0.00 C ATOM 954 O HIS A 65 -10.304 15.662 -4.779 1.00 0.00 O ATOM 955 CB HIS A 65 -11.424 17.255 -2.579 1.00 0.00 C ATOM 956 CG HIS A 65 -11.569 17.539 -1.103 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.883 18.763 -0.533 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.345 16.649 -0.086 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.864 18.615 0.806 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.550 17.335 1.100 1.00 0.00 N ATOM 0 H HIS A 65 -8.822 18.703 -1.982 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.433 16.625 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.993 17.990 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.850 16.277 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.063 15.612 -0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.067 19.393 1.527 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.476 16.940 2.037 1.00 0.00 H new ATOM 969 N HIS A 66 -8.570 17.064 -5.006 1.00 0.00 N ATOM 970 CA HIS A 66 -7.975 16.437 -6.177 1.00 0.00 C ATOM 971 C HIS A 66 -7.341 15.107 -5.722 1.00 0.00 C ATOM 972 O HIS A 66 -6.832 15.019 -4.598 1.00 0.00 O ATOM 973 CB HIS A 66 -6.926 17.397 -6.726 1.00 0.00 C ATOM 974 CG HIS A 66 -5.607 16.785 -7.068 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.247 16.214 -8.267 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.476 16.959 -6.321 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.905 16.153 -8.284 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.402 16.646 -7.138 1.00 0.00 N ATOM 0 H HIS A 66 -8.073 17.905 -4.712 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.705 16.228 -6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.328 17.873 -7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.761 18.185 -5.992 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.879 15.897 -9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.429 17.279 -5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.315 15.764 -9.101 1.00 0.00 H new ATOM 986 N VAL A 67 -7.340 14.078 -6.573 1.00 0.00 N ATOM 987 CA VAL A 67 -6.709 12.794 -6.244 1.00 0.00 C ATOM 988 C VAL A 67 -5.186 12.917 -6.355 1.00 0.00 C ATOM 989 O VAL A 67 -4.629 12.948 -7.455 1.00 0.00 O ATOM 990 CB VAL A 67 -7.258 11.653 -7.117 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.559 10.333 -6.789 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.762 11.450 -6.884 1.00 0.00 C ATOM 0 H VAL A 67 -7.770 14.108 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.956 12.540 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.074 11.934 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.964 9.541 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.489 10.432 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.725 10.084 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.121 10.637 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.938 11.202 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.296 12.367 -7.134 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.522 12.969 -5.198 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.064 13.076 -5.053 1.00 0.00 C ATOM 1004 C ILE A 68 -2.355 11.856 -5.660 1.00 0.00 C ATOM 1005 O ILE A 68 -1.357 11.988 -6.374 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.720 13.229 -3.552 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.141 14.655 -3.136 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.232 12.955 -3.227 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.973 14.941 -1.648 1.00 0.00 C ATOM 0 H ILE A 68 -5.003 12.937 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.712 13.953 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.263 12.475 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.553 15.377 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.185 14.809 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.064 13.081 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.978 11.935 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.604 13.656 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.290 15.962 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.583 14.245 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.926 14.821 -1.370 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.863 10.656 -5.351 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.276 9.379 -5.750 1.00 0.00 C ATOM 1023 C ALA A 69 -3.265 8.201 -5.620 1.00 0.00 C ATOM 1024 O ALA A 69 -4.312 8.321 -4.978 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.057 9.165 -4.831 1.00 0.00 C ATOM 0 H ALA A 69 -3.716 10.548 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.998 9.410 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.573 8.221 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.350 9.983 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.385 9.139 -3.792 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.897 7.041 -6.182 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.625 5.763 -6.089 1.00 0.00 C ATOM 1033 C ARG A 70 -2.756 4.744 -5.357 1.00 0.00 C ATOM 1034 O ARG A 70 -1.554 4.682 -5.614 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.980 5.203 -7.475 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.321 5.694 -8.020 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.265 7.092 -8.640 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.629 7.537 -8.963 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.087 8.143 -10.037 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.333 8.440 -11.058 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.346 8.466 -10.086 1.00 0.00 N ATOM 0 H ARG A 70 -2.046 6.962 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.553 5.947 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.192 5.475 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.998 4.114 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.677 4.988 -8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.052 5.695 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.797 7.791 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.652 7.078 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.327 7.347 -8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.341 8.202 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.735 8.911 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.959 8.249 -9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.720 8.936 -10.910 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.393 3.940 -4.504 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.770 2.929 -3.643 1.00 0.00 C ATOM 1057 C HIS A 71 -3.359 1.536 -3.850 1.00 0.00 C ATOM 1058 O HIS A 71 -4.577 1.358 -3.936 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.022 3.323 -2.179 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.114 2.659 -1.162 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.130 3.346 -0.451 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.090 1.338 -0.778 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.530 2.438 0.333 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.101 1.231 0.178 1.00 0.00 N ATOM 0 H HIS A 71 -4.406 3.977 -4.388 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.710 2.893 -3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.913 4.404 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.056 3.084 -1.929 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.720 0.544 -1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.296 2.647 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.847 0.381 0.681 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.498 0.527 -3.857 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.869 -0.877 -3.925 1.00 0.00 C ATOM 1074 C GLU A 72 -1.963 -1.670 -2.974 1.00 0.00 C ATOM 1075 O GLU A 72 -0.741 -1.540 -2.996 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.756 -1.378 -5.376 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.815 -2.908 -5.473 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.984 -3.362 -6.936 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.138 -3.465 -7.415 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.962 -3.623 -7.618 1.00 0.00 O ATOM 0 H GLU A 72 -1.489 0.670 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.904 -1.016 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.562 -0.948 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.819 -1.025 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.903 -3.338 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.645 -3.282 -4.874 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.566 -2.526 -2.157 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.885 -3.463 -1.270 1.00 0.00 C ATOM 1089 C TYR A 73 -2.537 -4.823 -1.489 1.00 0.00 C ATOM 1090 O TYR A 73 -3.758 -4.950 -1.411 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.982 -3.015 0.195 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.795 -4.132 1.215 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.558 -4.793 1.380 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.899 -4.544 1.982 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.419 -5.831 2.322 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.767 -5.570 2.933 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.523 -6.202 3.125 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.409 -7.155 4.090 1.00 0.00 O ATOM 0 H TYR A 73 -3.582 -2.589 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.820 -3.509 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.231 -2.246 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.956 -2.553 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.290 -4.500 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.858 -4.067 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.526 -6.342 2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.622 -5.875 3.518 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.513 -7.551 4.055 1.00 0.00 H new ATOM 1108 N THR A 74 -1.740 -5.844 -1.782 1.00 0.00 N ATOM 1109 CA THR A 74 -2.245 -7.202 -2.009 1.00 0.00 C ATOM 1110 C THR A 74 -1.445 -8.176 -1.141 1.00 0.00 C ATOM 1111 O THR A 74 -0.220 -8.081 -1.022 1.00 0.00 O ATOM 1112 CB THR A 74 -2.233 -7.619 -3.499 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.040 -8.243 -3.914 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.445 -6.460 -4.486 1.00 0.00 C ATOM 0 H THR A 74 -0.727 -5.759 -1.870 1.00 0.00 H new ATOM 0 HA THR A 74 -3.296 -7.226 -1.720 1.00 0.00 H new ATOM 0 HB THR A 74 -3.072 -8.314 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.294 -7.614 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.422 -6.842 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.411 -5.992 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.653 -5.723 -4.357 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.137 -9.102 -0.492 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.535 -10.101 0.394 1.00 0.00 C ATOM 1124 C PHE A 75 -2.016 -11.512 0.008 1.00 0.00 C ATOM 1125 O PHE A 75 -3.217 -11.733 -0.056 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.887 -9.763 1.846 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.669 -10.926 2.781 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.362 -11.241 3.172 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.738 -11.760 3.164 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.116 -12.372 3.950 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.486 -12.914 3.926 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.170 -13.225 4.312 1.00 0.00 C ATOM 0 H PHE A 75 -3.151 -9.185 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.450 -10.086 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.282 -8.918 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.929 -9.449 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.458 -10.606 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.748 -11.513 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.890 -12.592 4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.302 -13.561 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.971 -14.118 4.886 1.00 0.00 H new ATOM 1142 N SER A 76 -1.115 -12.468 -0.222 1.00 0.00 N ATOM 1143 CA SER A 76 -1.393 -13.851 -0.671 1.00 0.00 C ATOM 1144 C SER A 76 -0.743 -14.923 0.205 1.00 0.00 C ATOM 1145 O SER A 76 0.382 -14.755 0.653 1.00 0.00 O ATOM 1146 CB SER A 76 -0.872 -14.067 -2.102 1.00 0.00 C ATOM 1147 OG SER A 76 -1.845 -13.757 -3.077 1.00 0.00 O ATOM 0 H SER A 76 -0.117 -12.299 -0.096 1.00 0.00 H new ATOM 0 HA SER A 76 -2.476 -13.957 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.011 -13.448 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.560 -15.105 -2.220 1.00 0.00 H new ATOM 0 HG SER A 76 -1.472 -13.907 -3.971 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.413 -16.053 0.434 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.828 -17.199 1.170 1.00 0.00 C ATOM 1155 C ILE A 77 -0.578 -18.367 0.206 1.00 0.00 C ATOM 1156 O ILE A 77 -1.513 -18.850 -0.438 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.701 -17.619 2.373 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.943 -16.392 3.273 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.036 -18.799 3.112 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.391 -16.685 4.708 1.00 0.00 C ATOM 0 H ILE A 77 -2.371 -16.210 0.121 1.00 0.00 H new ATOM 0 HA ILE A 77 0.130 -16.887 1.586 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.678 -17.972 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.022 -15.810 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.697 -15.763 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.655 -19.092 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.931 -19.643 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.051 -18.496 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.530 -15.746 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.332 -17.235 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.631 -17.282 5.212 1.00 0.00 H new ATOM 1172 N MET A 78 0.679 -18.823 0.113 1.00 0.00 N ATOM 1173 CA MET A 78 1.098 -19.961 -0.719 1.00 0.00 C ATOM 1174 C MET A 78 1.720 -21.118 0.079 1.00 0.00 C ATOM 1175 O MET A 78 2.806 -20.962 0.628 1.00 0.00 O ATOM 1176 CB MET A 78 2.017 -19.504 -1.869 1.00 0.00 C ATOM 1177 CG MET A 78 3.186 -18.592 -1.450 1.00 0.00 C ATOM 1178 SD MET A 78 4.593 -18.518 -2.601 1.00 0.00 S ATOM 1179 CE MET A 78 3.761 -18.323 -4.198 1.00 0.00 C ATOM 0 H MET A 78 1.452 -18.400 0.627 1.00 0.00 H new ATOM 0 HA MET A 78 0.183 -20.367 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.424 -20.388 -2.361 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.413 -18.978 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.801 -17.582 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.553 -18.928 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.502 -18.123 -4.972 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.221 -19.238 -4.441 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.059 -17.491 -4.143 1.00 0.00 H new ATOM 1189 N ASP A 79 1.072 -22.290 0.077 1.00 0.00 N ATOM 1190 CA ASP A 79 1.481 -23.571 0.696 1.00 0.00 C ATOM 1191 C ASP A 79 1.897 -23.543 2.186 1.00 0.00 C ATOM 1192 O ASP A 79 1.187 -24.076 3.040 1.00 0.00 O ATOM 1193 CB ASP A 79 2.596 -24.208 -0.151 1.00 0.00 C ATOM 1194 CG ASP A 79 2.118 -24.595 -1.559 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.316 -25.553 -1.681 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.549 -23.960 -2.550 1.00 0.00 O ATOM 0 H ASP A 79 0.173 -22.381 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 79 0.569 -24.168 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.429 -23.510 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.972 -25.095 0.358 1.00 0.00 H new ATOM 1201 N GLU A 80 3.034 -22.923 2.504 1.00 0.00 N ATOM 1202 CA GLU A 80 3.618 -22.779 3.846 1.00 0.00 C ATOM 1203 C GLU A 80 4.145 -21.361 4.097 1.00 0.00 C ATOM 1204 O GLU A 80 4.804 -21.125 5.107 1.00 0.00 O ATOM 1205 CB GLU A 80 4.807 -23.739 4.054 1.00 0.00 C ATOM 1206 CG GLU A 80 4.591 -25.167 3.551 1.00 0.00 C ATOM 1207 CD GLU A 80 5.730 -26.099 4.009 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.793 -26.146 3.342 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.566 -26.812 5.031 1.00 0.00 O ATOM 0 H GLU A 80 3.611 -22.479 1.790 1.00 0.00 H new ATOM 0 HA GLU A 80 2.809 -23.010 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.680 -23.323 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.039 -23.778 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.638 -25.545 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.533 -25.167 2.463 1.00 0.00 H new ATOM 1216 N PHE A 81 3.927 -20.412 3.184 1.00 0.00 N ATOM 1217 CA PHE A 81 4.488 -19.066 3.316 1.00 0.00 C ATOM 1218 C PHE A 81 3.388 -18.024 3.077 1.00 0.00 C ATOM 1219 O PHE A 81 2.299 -18.320 2.578 1.00 0.00 O ATOM 1220 CB PHE A 81 5.578 -18.823 2.248 1.00 0.00 C ATOM 1221 CG PHE A 81 6.373 -20.020 1.756 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.043 -20.902 2.621 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.358 -20.283 0.376 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.728 -22.016 2.098 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.026 -21.399 -0.151 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.722 -22.264 0.712 1.00 0.00 C ATOM 0 H PHE A 81 3.365 -20.551 2.344 1.00 0.00 H new ATOM 0 HA PHE A 81 4.910 -18.978 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.101 -18.360 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.283 -18.096 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.033 -20.726 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.826 -19.618 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.259 -22.682 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.006 -21.592 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.251 -23.117 0.313 1.00 0.00 H new ATOM 1236 N GLN A 82 3.718 -16.771 3.361 1.00 0.00 N ATOM 1237 CA GLN A 82 2.862 -15.613 3.133 1.00 0.00 C ATOM 1238 C GLN A 82 3.588 -14.618 2.239 1.00 0.00 C ATOM 1239 O GLN A 82 4.784 -14.420 2.396 1.00 0.00 O ATOM 1240 CB GLN A 82 2.497 -14.932 4.454 1.00 0.00 C ATOM 1241 CG GLN A 82 2.333 -15.830 5.675 1.00 0.00 C ATOM 1242 CD GLN A 82 1.646 -15.103 6.826 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.468 -15.286 7.103 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.351 -14.250 7.537 1.00 0.00 N ATOM 0 H GLN A 82 4.619 -16.524 3.770 1.00 0.00 H new ATOM 0 HA GLN A 82 1.944 -15.952 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.267 -14.193 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.565 -14.387 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.751 -16.711 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.312 -16.183 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.334 -14.090 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.915 -13.748 8.311 1.00 0.00 H new ATOM 1253 N GLU A 83 2.862 -13.954 1.356 1.00 0.00 N ATOM 1254 CA GLU A 83 3.342 -12.974 0.383 1.00 0.00 C ATOM 1255 C GLU A 83 2.640 -11.644 0.613 1.00 0.00 C ATOM 1256 O GLU A 83 1.415 -11.572 0.674 1.00 0.00 O ATOM 1257 CB GLU A 83 3.019 -13.409 -1.062 1.00 0.00 C ATOM 1258 CG GLU A 83 4.078 -14.300 -1.708 1.00 0.00 C ATOM 1259 CD GLU A 83 3.729 -14.601 -3.183 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.574 -14.991 -3.481 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.612 -14.437 -4.062 1.00 0.00 O ATOM 0 H GLU A 83 1.853 -14.091 1.291 1.00 0.00 H new ATOM 0 HA GLU A 83 4.421 -12.890 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.066 -13.939 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.889 -12.518 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.051 -13.811 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.159 -15.234 -1.153 1.00 0.00 H new ATOM 1268 N TYR A 84 3.428 -10.585 0.683 1.00 0.00 N ATOM 1269 CA TYR A 84 2.972 -9.216 0.871 1.00 0.00 C ATOM 1270 C TYR A 84 3.460 -8.363 -0.286 1.00 0.00 C ATOM 1271 O TYR A 84 4.647 -8.398 -0.602 1.00 0.00 O ATOM 1272 CB TYR A 84 3.575 -8.657 2.156 1.00 0.00 C ATOM 1273 CG TYR A 84 3.052 -9.323 3.412 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.649 -10.506 3.899 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.918 -8.790 4.050 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.128 -11.144 5.042 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.416 -9.400 5.217 1.00 0.00 C ATOM 1278 CZ TYR A 84 2.030 -10.571 5.723 1.00 0.00 C ATOM 1279 OH TYR A 84 1.539 -11.174 6.840 1.00 0.00 O ATOM 0 H TYR A 84 4.443 -10.657 0.608 1.00 0.00 H new ATOM 0 HA TYR A 84 1.883 -9.203 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.658 -8.771 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.369 -7.588 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.508 -10.923 3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.432 -7.914 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.565 -12.066 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.563 -8.974 5.725 1.00 0.00 H new ATOM 0 HH TYR A 84 0.785 -10.653 7.188 1.00 0.00 H new ATOM 1289 N THR A 85 2.575 -7.595 -0.912 1.00 0.00 N ATOM 1290 CA THR A 85 2.947 -6.688 -1.997 1.00 0.00 C ATOM 1291 C THR A 85 2.174 -5.373 -1.851 1.00 0.00 C ATOM 1292 O THR A 85 1.011 -5.338 -1.455 1.00 0.00 O ATOM 1293 CB THR A 85 2.758 -7.299 -3.406 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.472 -7.048 -3.930 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.917 -8.828 -3.469 1.00 0.00 C ATOM 0 H THR A 85 1.581 -7.582 -0.684 1.00 0.00 H new ATOM 0 HA THR A 85 4.017 -6.497 -1.908 1.00 0.00 H new ATOM 0 HB THR A 85 3.548 -6.814 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.397 -7.450 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.768 -9.167 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.918 -9.104 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.178 -9.298 -2.820 1.00 0.00 H new ATOM 1303 N MET A 86 2.822 -4.262 -2.162 1.00 0.00 N ATOM 1304 CA MET A 86 2.263 -2.912 -2.140 1.00 0.00 C ATOM 1305 C MET A 86 2.758 -2.139 -3.360 1.00 0.00 C ATOM 1306 O MET A 86 3.888 -2.319 -3.817 1.00 0.00 O ATOM 1307 CB MET A 86 2.647 -2.229 -0.825 1.00 0.00 C ATOM 1308 CG MET A 86 2.205 -0.767 -0.747 1.00 0.00 C ATOM 1309 SD MET A 86 2.695 0.082 0.778 1.00 0.00 S ATOM 1310 CE MET A 86 4.400 0.530 0.338 1.00 0.00 C ATOM 0 H MET A 86 3.800 -4.273 -2.451 1.00 0.00 H new ATOM 0 HA MET A 86 1.175 -2.945 -2.191 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.203 -2.780 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.729 -2.281 -0.700 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.621 -0.228 -1.598 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.120 -0.722 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.912 0.920 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.926 -0.353 -0.026 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.386 1.292 -0.442 1.00 0.00 H new ATOM 1320 N LEU A 87 1.887 -1.283 -3.879 1.00 0.00 N ATOM 1321 CA LEU A 87 2.105 -0.430 -5.044 1.00 0.00 C ATOM 1322 C LEU A 87 1.253 0.853 -4.935 1.00 0.00 C ATOM 1323 O LEU A 87 0.039 0.835 -5.146 1.00 0.00 O ATOM 1324 CB LEU A 87 1.711 -1.232 -6.298 1.00 0.00 C ATOM 1325 CG LEU A 87 2.078 -0.528 -7.605 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.508 -0.860 -8.002 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.151 -0.923 -8.751 1.00 0.00 C ATOM 0 H LEU A 87 0.958 -1.157 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 87 3.151 -0.130 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.201 -2.205 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.637 -1.415 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 87 1.972 0.542 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.754 -0.352 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.189 -0.530 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.607 -1.937 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.450 -0.398 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.215 -1.999 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.125 -0.655 -8.498 1.00 0.00 H new ATOM 1339 N CYS A 88 1.898 1.971 -4.625 1.00 0.00 N ATOM 1340 CA CYS A 88 1.309 3.300 -4.500 1.00 0.00 C ATOM 1341 C CYS A 88 2.278 4.360 -5.044 1.00 0.00 C ATOM 1342 O CYS A 88 3.482 4.315 -4.763 1.00 0.00 O ATOM 1343 CB CYS A 88 1.005 3.577 -3.025 1.00 0.00 C ATOM 1344 SG CYS A 88 0.395 5.283 -2.782 1.00 0.00 S ATOM 0 H CYS A 88 2.902 1.976 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 88 0.386 3.344 -5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.260 2.867 -2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.905 3.422 -2.431 1.00 0.00 H new ATOM 1349 N LEU A 89 1.750 5.325 -5.801 1.00 0.00 N ATOM 1350 CA LEU A 89 2.509 6.455 -6.345 1.00 0.00 C ATOM 1351 C LEU A 89 3.162 7.293 -5.232 1.00 0.00 C ATOM 1352 O LEU A 89 4.275 7.788 -5.422 1.00 0.00 O ATOM 1353 CB LEU A 89 1.563 7.291 -7.235 1.00 0.00 C ATOM 1354 CG LEU A 89 2.102 8.658 -7.694 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.329 8.544 -8.581 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.081 9.438 -8.520 1.00 0.00 C ATOM 0 H LEU A 89 0.763 5.344 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 89 3.336 6.086 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.316 6.704 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.633 7.454 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 89 2.340 9.169 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.662 9.540 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.127 8.040 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.081 7.970 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.510 10.394 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.817 8.864 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.186 9.612 -7.922 1.00 0.00 H new ATOM 1368 N LEU A 90 2.503 7.412 -4.076 1.00 0.00 N ATOM 1369 CA LEU A 90 2.982 8.148 -2.913 1.00 0.00 C ATOM 1370 C LEU A 90 3.662 7.218 -1.910 1.00 0.00 C ATOM 1371 O LEU A 90 4.844 7.397 -1.612 1.00 0.00 O ATOM 1372 CB LEU A 90 1.778 8.837 -2.242 1.00 0.00 C ATOM 1373 CG LEU A 90 2.088 9.432 -0.855 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.201 10.470 -0.921 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.841 10.078 -0.257 1.00 0.00 C ATOM 0 H LEU A 90 1.591 6.982 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 90 3.717 8.885 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.418 9.632 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.968 8.114 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 90 2.418 8.608 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.389 10.865 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.109 10.006 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.902 11.283 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.080 10.492 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.494 10.876 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.057 9.328 -0.152 1.00 0.00 H new ATOM 1387 N CYS A 91 2.914 6.279 -1.349 1.00 0.00 N ATOM 1388 CA CYS A 91 3.375 5.418 -0.280 1.00 0.00 C ATOM 1389 C CYS A 91 4.526 4.494 -0.697 1.00 0.00 C ATOM 1390 O CYS A 91 5.458 4.296 0.086 1.00 0.00 O ATOM 1391 CB CYS A 91 2.176 4.670 0.304 1.00 0.00 C ATOM 1392 SG CYS A 91 0.938 5.846 0.930 1.00 0.00 S ATOM 0 H CYS A 91 1.952 6.094 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 91 3.814 6.037 0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.729 4.034 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.506 4.015 1.111 1.00 0.00 H new ATOM 1397 N GLY A 92 4.498 3.981 -1.931 1.00 0.00 N ATOM 1398 CA GLY A 92 5.604 3.216 -2.505 1.00 0.00 C ATOM 1399 C GLY A 92 5.283 1.853 -3.106 1.00 0.00 C ATOM 1400 O GLY A 92 4.170 1.340 -3.003 1.00 0.00 O ATOM 0 H GLY A 92 3.703 4.087 -2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.066 3.825 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.352 3.072 -1.726 1.00 0.00 H new ATOM 1404 N LYS A 93 6.310 1.240 -3.707 1.00 0.00 N ATOM 1405 CA LYS A 93 6.278 -0.115 -4.266 1.00 0.00 C ATOM 1406 C LYS A 93 7.202 -1.035 -3.477 1.00 0.00 C ATOM 1407 O LYS A 93 8.414 -0.821 -3.433 1.00 0.00 O ATOM 1408 CB LYS A 93 6.620 -0.080 -5.756 1.00 0.00 C ATOM 1409 CG LYS A 93 6.830 -1.489 -6.347 1.00 0.00 C ATOM 1410 CD LYS A 93 7.125 -1.470 -7.856 1.00 0.00 C ATOM 1411 CE LYS A 93 8.470 -0.807 -8.186 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.744 -0.829 -9.647 1.00 0.00 N ATOM 0 H LYS A 93 7.218 1.691 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 93 5.270 -0.521 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.818 0.422 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.524 0.511 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.655 -1.976 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.939 -2.090 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.125 -2.492 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.326 -0.938 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.466 0.224 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.271 -1.323 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.660 -0.373 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.772 -1.814 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.992 -0.315 -10.149 1.00 0.00 H new ATOM 1426 N ALA A 94 6.623 -2.050 -2.848 1.00 0.00 N ATOM 1427 CA ALA A 94 7.332 -3.014 -2.017 1.00 0.00 C ATOM 1428 C ALA A 94 6.786 -4.450 -2.119 1.00 0.00 C ATOM 1429 O ALA A 94 5.626 -4.659 -2.473 1.00 0.00 O ATOM 1430 CB ALA A 94 7.278 -2.493 -0.579 1.00 0.00 C ATOM 0 H ALA A 94 5.621 -2.230 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 94 8.359 -3.095 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.799 -3.188 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.757 -1.515 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.239 -2.404 -0.263 1.00 0.00 H new ATOM 1436 N GLU A 95 7.616 -5.443 -1.789 1.00 0.00 N ATOM 1437 CA GLU A 95 7.236 -6.862 -1.744 1.00 0.00 C ATOM 1438 C GLU A 95 8.071 -7.623 -0.699 1.00 0.00 C ATOM 1439 O GLU A 95 9.283 -7.419 -0.598 1.00 0.00 O ATOM 1440 CB GLU A 95 7.403 -7.473 -3.147 1.00 0.00 C ATOM 1441 CG GLU A 95 7.108 -8.975 -3.229 1.00 0.00 C ATOM 1442 CD GLU A 95 7.222 -9.469 -4.685 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.231 -9.370 -5.447 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.311 -9.956 -5.082 1.00 0.00 O ATOM 0 H GLU A 95 8.592 -5.282 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 95 6.192 -6.947 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.743 -6.948 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.424 -7.298 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.806 -9.524 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.107 -9.176 -2.848 1.00 0.00 H new ATOM 1451 N ASP A 96 7.428 -8.504 0.072 1.00 0.00 N ATOM 1452 CA ASP A 96 8.030 -9.351 1.105 1.00 0.00 C ATOM 1453 C ASP A 96 7.402 -10.752 1.129 1.00 0.00 C ATOM 1454 O ASP A 96 6.223 -10.908 0.806 1.00 0.00 O ATOM 1455 CB ASP A 96 7.845 -8.713 2.494 1.00 0.00 C ATOM 1456 CG ASP A 96 8.930 -9.174 3.483 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.135 -9.060 3.153 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.579 -9.651 4.586 1.00 0.00 O ATOM 0 H ASP A 96 6.422 -8.653 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 96 9.089 -9.441 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.874 -7.627 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.862 -8.973 2.886 1.00 0.00 H new ATOM 1463 N THR A 97 8.152 -11.765 1.568 1.00 0.00 N ATOM 1464 CA THR A 97 7.624 -13.128 1.751 1.00 0.00 C ATOM 1465 C THR A 97 8.107 -13.724 3.077 1.00 0.00 C ATOM 1466 O THR A 97 9.291 -13.618 3.408 1.00 0.00 O ATOM 1467 CB THR A 97 7.977 -14.074 0.590 1.00 0.00 C ATOM 1468 OG1 THR A 97 7.986 -13.426 -0.668 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.958 -15.206 0.481 1.00 0.00 C ATOM 0 H THR A 97 9.139 -11.669 1.807 1.00 0.00 H new ATOM 0 HA THR A 97 6.538 -13.033 1.767 1.00 0.00 H new ATOM 0 HB THR A 97 8.975 -14.446 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.218 -14.072 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.229 -15.861 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.949 -15.778 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.967 -14.788 0.303 1.00 0.00 H new ATOM 1477 N ILE A 98 7.200 -14.338 3.845 1.00 0.00 N ATOM 1478 CA ILE A 98 7.466 -14.920 5.172 1.00 0.00 C ATOM 1479 C ILE A 98 7.111 -16.404 5.192 1.00 0.00 C ATOM 1480 O ILE A 98 5.972 -16.767 4.921 1.00 0.00 O ATOM 1481 CB ILE A 98 6.637 -14.213 6.270 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.618 -12.681 6.108 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.170 -14.608 7.654 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.881 -11.910 7.212 1.00 0.00 C ATOM 0 H ILE A 98 6.229 -14.449 3.554 1.00 0.00 H new ATOM 0 HA ILE A 98 8.529 -14.785 5.371 1.00 0.00 H new ATOM 0 HB ILE A 98 5.604 -14.545 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.647 -12.325 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.157 -12.440 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.584 -14.108 8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.090 -15.688 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.214 -14.309 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.927 -10.841 7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.839 -12.229 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.353 -12.112 8.174 1.00 0.00 H new ATOM 1496 N SER A 99 8.038 -17.266 5.587 1.00 0.00 N ATOM 1497 CA SER A 99 7.765 -18.699 5.766 1.00 0.00 C ATOM 1498 C SER A 99 7.134 -18.933 7.147 1.00 0.00 C ATOM 1499 O SER A 99 7.596 -18.384 8.151 1.00 0.00 O ATOM 1500 CB SER A 99 9.031 -19.532 5.545 1.00 0.00 C ATOM 1501 OG SER A 99 10.137 -19.038 6.289 1.00 0.00 O ATOM 0 H SER A 99 9.001 -17.000 5.794 1.00 0.00 H new ATOM 0 HA SER A 99 7.050 -19.031 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.837 -20.566 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.281 -19.535 4.484 1.00 0.00 H new ATOM 0 HG SER A 99 10.922 -19.600 6.120 1.00 0.00 H new ATOM 1507 N ILE A 100 6.053 -19.720 7.198 1.00 0.00 N ATOM 1508 CA ILE A 100 5.272 -19.989 8.419 1.00 0.00 C ATOM 1509 C ILE A 100 4.962 -21.487 8.629 1.00 0.00 C ATOM 1510 O ILE A 100 5.334 -22.345 7.828 1.00 0.00 O ATOM 1511 CB ILE A 100 4.013 -19.077 8.491 1.00 0.00 C ATOM 1512 CG1 ILE A 100 3.034 -19.146 7.296 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.437 -17.606 8.667 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.235 -20.450 7.186 1.00 0.00 C ATOM 0 H ILE A 100 5.686 -20.200 6.376 1.00 0.00 H new ATOM 0 HA ILE A 100 5.903 -19.724 9.268 1.00 0.00 H new ATOM 0 HB ILE A 100 3.465 -19.471 9.347 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.334 -18.314 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.599 -19.005 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.550 -16.975 8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.009 -17.500 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.052 -17.301 7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.578 -20.402 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.922 -21.289 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.637 -20.587 8.087 1.00 0.00 H new ATOM 1526 N LEU A 101 4.299 -21.806 9.744 1.00 0.00 N ATOM 1527 CA LEU A 101 3.914 -23.151 10.182 1.00 0.00 C ATOM 1528 C LEU A 101 2.492 -23.136 10.787 1.00 0.00 C ATOM 1529 O LEU A 101 2.031 -22.069 11.209 1.00 0.00 O ATOM 1530 CB LEU A 101 4.932 -23.571 11.263 1.00 0.00 C ATOM 1531 CG LEU A 101 6.344 -23.928 10.759 1.00 0.00 C ATOM 1532 CD1 LEU A 101 7.254 -24.203 11.957 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.347 -25.173 9.869 1.00 0.00 C ATOM 0 H LEU A 101 3.999 -21.089 10.405 1.00 0.00 H new ATOM 0 HA LEU A 101 3.912 -23.845 9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.020 -22.760 11.986 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.530 -24.432 11.797 1.00 0.00 H new ATOM 0 HG LEU A 101 6.699 -23.081 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.254 -24.456 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.305 -23.315 12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.852 -25.035 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.365 -25.383 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.965 -26.024 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.713 -25.000 8.999 1.00 0.00 H new ATOM 1545 N PRO A 102 1.800 -24.291 10.893 1.00 0.00 N ATOM 1546 CA PRO A 102 0.463 -24.375 11.500 1.00 0.00 C ATOM 1547 C PRO A 102 0.431 -23.967 12.988 1.00 0.00 C ATOM 1548 O PRO A 102 -0.633 -23.645 13.519 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.001 -25.820 11.279 1.00 0.00 C ATOM 1550 CG PRO A 102 1.300 -26.605 11.139 1.00 0.00 C ATOM 1551 CD PRO A 102 2.232 -25.611 10.448 1.00 0.00 C ATOM 0 HA PRO A 102 -0.212 -23.660 11.030 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.597 -26.181 12.117 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.620 -25.909 10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.690 -26.916 12.108 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.163 -27.509 10.546 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.271 -25.795 10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.165 -25.700 9.364 1.00 0.00 H new ATOM 1559 N ASP A 103 1.591 -23.930 13.655 1.00 0.00 N ATOM 1560 CA ASP A 103 1.768 -23.473 15.043 1.00 0.00 C ATOM 1561 C ASP A 103 1.680 -21.928 15.191 1.00 0.00 C ATOM 1562 O ASP A 103 1.766 -21.399 16.299 1.00 0.00 O ATOM 1563 CB ASP A 103 3.124 -24.002 15.540 1.00 0.00 C ATOM 1564 CG ASP A 103 3.311 -23.859 17.063 1.00 0.00 C ATOM 1565 OD1 ASP A 103 2.480 -24.401 17.831 1.00 0.00 O ATOM 1566 OD2 ASP A 103 4.323 -23.256 17.498 1.00 0.00 O ATOM 0 H ASP A 103 2.468 -24.229 13.228 1.00 0.00 H new ATOM 0 HA ASP A 103 0.952 -23.866 15.650 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.219 -25.053 15.266 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.925 -23.466 15.030 1.00 0.00 H new ATOM 1571 N ASP A 104 1.505 -21.199 14.077 1.00 0.00 N ATOM 1572 CA ASP A 104 1.413 -19.733 13.983 1.00 0.00 C ATOM 1573 C ASP A 104 2.584 -18.960 14.651 1.00 0.00 C ATOM 1574 O ASP A 104 2.361 -18.120 15.532 1.00 0.00 O ATOM 1575 CB ASP A 104 0.006 -19.278 14.419 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.301 -17.794 14.146 1.00 0.00 C ATOM 1577 OD1 ASP A 104 0.428 -17.109 13.391 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -1.323 -17.294 14.670 1.00 0.00 O ATOM 0 H ASP A 104 1.419 -21.644 13.163 1.00 0.00 H new ATOM 0 HA ASP A 104 1.543 -19.459 12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.735 -19.889 13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.109 -19.469 15.486 1.00 0.00 H new ATOM 1583 N PRO A 105 3.850 -19.221 14.253 1.00 0.00 N ATOM 1584 CA PRO A 105 5.017 -18.514 14.792 1.00 0.00 C ATOM 1585 C PRO A 105 5.131 -17.069 14.264 1.00 0.00 C ATOM 1586 O PRO A 105 5.708 -16.216 14.940 1.00 0.00 O ATOM 1587 CB PRO A 105 6.222 -19.354 14.353 1.00 0.00 C ATOM 1588 CG PRO A 105 5.769 -19.952 13.022 1.00 0.00 C ATOM 1589 CD PRO A 105 4.275 -20.189 13.246 1.00 0.00 C ATOM 0 HA PRO A 105 4.947 -18.413 15.875 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.117 -18.743 14.235 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.459 -20.129 15.082 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.950 -19.271 12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.296 -20.879 12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.717 -20.055 12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.090 -21.208 13.585 1.00 0.00 H new ATOM 1597 N ARG A 106 4.574 -16.799 13.065 1.00 0.00 N ATOM 1598 CA ARG A 106 4.532 -15.512 12.327 1.00 0.00 C ATOM 1599 C ARG A 106 5.807 -14.643 12.387 1.00 0.00 C ATOM 1600 O ARG A 106 5.736 -13.414 12.366 1.00 0.00 O ATOM 1601 CB ARG A 106 3.219 -14.766 12.652 1.00 0.00 C ATOM 1602 CG ARG A 106 3.045 -14.377 14.130 1.00 0.00 C ATOM 1603 CD ARG A 106 1.785 -13.533 14.350 1.00 0.00 C ATOM 1604 NE ARG A 106 0.541 -14.303 14.143 1.00 0.00 N ATOM 1605 CZ ARG A 106 -0.688 -13.818 14.155 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -0.936 -12.543 14.269 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -1.704 -14.619 14.063 1.00 0.00 N ATOM 0 H ARG A 106 4.101 -17.536 12.541 1.00 0.00 H new ATOM 0 HA ARG A 106 4.526 -15.766 11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.172 -13.862 12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.379 -15.393 12.355 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.990 -15.279 14.739 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.920 -13.819 14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.794 -13.131 15.363 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.799 -12.682 13.669 1.00 0.00 H new ATOM 0 HE ARG A 106 0.640 -15.304 13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.166 -11.879 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.900 -12.209 14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.555 -15.625 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.652 -14.243 14.072 1.00 0.00 H new ATOM 1621 N GLN A 107 6.973 -15.294 12.443 1.00 0.00 N ATOM 1622 CA GLN A 107 8.334 -14.733 12.502 1.00 0.00 C ATOM 1623 C GLN A 107 8.432 -13.383 13.235 1.00 0.00 C ATOM 1624 O GLN A 107 9.438 -13.091 13.896 1.00 0.00 O ATOM 1625 CB GLN A 107 8.927 -14.634 11.083 1.00 0.00 C ATOM 1626 CG GLN A 107 8.819 -15.921 10.241 1.00 0.00 C ATOM 1627 CD GLN A 107 9.398 -17.155 10.933 1.00 0.00 C ATOM 1628 OE1 GLN A 107 8.736 -17.834 11.709 1.00 0.00 O ATOM 1629 NE2 GLN A 107 10.654 -17.482 10.707 1.00 0.00 N ATOM 0 H GLN A 107 6.995 -16.314 12.449 1.00 0.00 H new ATOM 0 HA GLN A 107 8.923 -15.427 13.102 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.424 -13.826 10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.978 -14.357 11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.771 -16.105 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.336 -15.770 9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.218 -16.926 10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.063 -18.291 11.175 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.734 17.555 -6.317 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.161 20.174 -3.579 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.539 5.316 -0.717 1.00 0.00 ZN