USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 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 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 106 THR OG1 : rot 28:sc= 0.682 USER MOD Set 1.2: A 111 SER OG : rot 149:sc= -1.28! USER MOD Set 2.1: A 51 SER OG : rot -54:sc= 0 USER MOD Set 2.2: A 84 THR OG1 : rot -132:sc= -6.19! USER MOD Set 3.1: A 47 TYR OH : rot -136:sc= -4.46! USER MOD Set 3.2: A 79 HIS : no HD1:sc= -2.68! C(o=-7.1!,f=-7!) USER MOD Set 4.1: A 16 MET CE :methyl -168:sc= -10.6! (180deg=-7.42!) USER MOD Set 4.2: A 144 THR OG1 : rot 3:sc= -1.58 USER MOD Set 4.3: A 153 LYS NZ :NH3+ -157:sc= -1.34 (180deg=-2.12!) USER MOD Set 5.1: A 8 SER OG : rot -40:sc= 0 USER MOD Set 5.2: A 20 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.363) USER MOD Single : A 1 TYR N :NH3+ -148:sc= 0.292 (180deg=0.0222) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -25.6! C(o=-26!,f=-28!) USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 TYR OH : rot -69:sc= -1.13! USER MOD Single : A 13 SER OG : rot -71:sc= -1.33! USER MOD Single : A 17 GLN : amide:sc= -7.41! C(o=-7.4!,f=-9.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 22 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.05 F(o=-3.4!,f=-1.1) USER MOD Single : A 27 MET CE :methyl 125:sc= -2.42! (180deg=-4.11) USER MOD Single : A 30 THR OG1 : rot 180:sc= -3.43! USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 37 SER OG : rot -13:sc= 0.814 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 44 THR OG1 : rot 160:sc= -6.22! USER MOD Single : A 45 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.5!) USER MOD Single : A 46 THR OG1 : rot 46:sc= -3.22! USER MOD Single : A 50 ASN : amide:sc= -5.11! C(o=-5.1!,f=-18!) USER MOD Single : A 52 ASN : amide:sc= -1.13! C(o=-1.1!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 62 TYR OH : rot 135:sc= 0.016 USER MOD Single : A 63 ASN : amide:sc= -6.08! C(o=-6.1!,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -3.28! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 177:sc= -0.0463 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.15) USER MOD Single : A 83 SER OG : rot 114:sc= -0.459! USER MOD Single : A 85 THR OG1 : rot 170:sc= -0.048 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4.2!) USER MOD Single : A 88 TYR OH : rot 130:sc= 0.497 USER MOD Single : A 90 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.8!) USER MOD Single : A 92 GLN :FLIP amide:sc= -2.94! C(o=-5.4!,f=-2.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -8:sc= -1.2! USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 100 HIS :FLIP no HD1:sc= -6.52! C(o=-10!,f=-6.5!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.57) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0207 F(o=-2.2,f=-0.021) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS :FLIP no HE2:sc= -4.53! C(o=-7.7!,f=-4.5!) USER MOD Single : A 122 TYR OH : rot -134:sc= 1.13 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.1!) USER MOD Single : A 125 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.086) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 131 THR OG1 : rot 120:sc= 2.01 USER MOD Single : A 132 SER OG : rot 63:sc= 0.979 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl 145:sc= -3.59 (180deg=-6.95!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot -140:sc= 0 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 147 ASN : amide:sc= -5.33! C(o=-5.3!,f=-11!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.37) USER MOD Single : A 159 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 NAG O3 : rot 147:sc= 0.0292 USER MOD Single : A 161 NAG O4 : rot 180:sc= 0.0306 USER MOD Single : A 161 NAG O6 : rot -28:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 12.510 -3.280 21.794 1.00 0.00 N ATOM 2 CA TYR A 1 11.637 -3.533 20.618 1.00 0.00 C ATOM 3 C TYR A 1 10.419 -2.615 20.627 1.00 0.00 C ATOM 4 O TYR A 1 9.587 -2.678 21.533 1.00 0.00 O ATOM 5 CB TYR A 1 11.194 -4.997 20.647 1.00 0.00 C ATOM 6 CG TYR A 1 10.183 -5.304 21.729 1.00 0.00 C ATOM 7 CD1 TYR A 1 8.821 -5.177 21.490 1.00 0.00 C ATOM 8 CD2 TYR A 1 10.592 -5.721 22.990 1.00 0.00 C ATOM 9 CE1 TYR A 1 7.894 -5.456 22.477 1.00 0.00 C ATOM 10 CE2 TYR A 1 9.672 -6.003 23.982 1.00 0.00 C ATOM 11 CZ TYR A 1 8.324 -5.869 23.719 1.00 0.00 C ATOM 12 OH TYR A 1 7.405 -6.148 24.705 1.00 0.00 O ATOM 0 H1 TYR A 1 13.501 -3.458 21.535 1.00 0.00 H new ATOM 0 H2 TYR A 1 12.404 -2.291 22.099 1.00 0.00 H new ATOM 0 H3 TYR A 1 12.236 -3.913 22.572 1.00 0.00 H new ATOM 0 HA TYR A 1 12.197 -3.326 19.706 1.00 0.00 H new ATOM 0 HB2 TYR A 1 10.767 -5.258 19.679 1.00 0.00 H new ATOM 0 HB3 TYR A 1 12.070 -5.630 20.790 1.00 0.00 H new ATOM 0 HD1 TYR A 1 8.480 -4.855 20.517 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.646 -5.826 23.198 1.00 0.00 H new ATOM 0 HE1 TYR A 1 6.838 -5.351 22.275 1.00 0.00 H new ATOM 0 HE2 TYR A 1 10.006 -6.326 24.957 1.00 0.00 H new ATOM 0 HH TYR A 1 7.873 -6.427 25.519 1.00 0.00 H new ATOM 24 N GLY A 2 10.321 -1.762 19.613 1.00 0.00 N ATOM 25 CA GLY A 2 9.202 -0.842 19.523 1.00 0.00 C ATOM 26 C GLY A 2 7.985 -1.471 18.872 1.00 0.00 C ATOM 27 O GLY A 2 6.991 -0.793 18.614 1.00 0.00 O ATOM 0 H GLY A 2 10.996 -1.691 18.852 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.938 -0.497 20.523 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.503 0.036 18.952 1.00 0.00 H new ATOM 31 N HIS A 3 8.066 -2.771 18.604 1.00 0.00 N ATOM 32 CA HIS A 3 6.964 -3.493 17.978 1.00 0.00 C ATOM 33 C HIS A 3 5.618 -2.959 18.454 1.00 0.00 C ATOM 34 O HIS A 3 5.500 -2.447 19.568 1.00 0.00 O ATOM 35 CB HIS A 3 7.066 -4.989 18.283 1.00 0.00 C ATOM 36 CG HIS A 3 6.921 -5.858 17.073 1.00 0.00 C ATOM 37 ND1 HIS A 3 7.996 -6.321 16.346 1.00 0.00 N ATOM 38 CD2 HIS A 3 5.817 -6.350 16.464 1.00 0.00 C ATOM 39 CE1 HIS A 3 7.561 -7.060 15.341 1.00 0.00 C ATOM 40 NE2 HIS A 3 6.243 -7.093 15.390 1.00 0.00 N ATOM 0 H HIS A 3 8.883 -3.345 18.811 1.00 0.00 H new ATOM 0 HA HIS A 3 7.034 -3.341 16.901 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.029 -5.191 18.752 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.297 -5.257 19.007 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.793 -6.189 16.766 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.179 -7.553 14.605 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.638 -7.590 14.736 1.00 0.00 H new ATOM 49 N CYS A 4 4.605 -3.087 17.605 1.00 0.00 N ATOM 50 CA CYS A 4 3.264 -2.622 17.938 1.00 0.00 C ATOM 51 C CYS A 4 2.238 -3.724 17.700 1.00 0.00 C ATOM 52 O CYS A 4 2.170 -4.299 16.614 1.00 0.00 O ATOM 53 CB CYS A 4 2.908 -1.387 17.110 1.00 0.00 C ATOM 54 SG CYS A 4 4.348 -0.394 16.602 1.00 0.00 S ATOM 0 H CYS A 4 4.687 -3.509 16.680 1.00 0.00 H new ATOM 0 HA CYS A 4 3.248 -2.355 18.995 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.366 -1.704 16.219 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.231 -0.758 17.688 1.00 0.00 H new ATOM 59 N VAL A 5 1.444 -4.015 18.724 1.00 0.00 N ATOM 60 CA VAL A 5 0.425 -5.053 18.628 1.00 0.00 C ATOM 61 C VAL A 5 -0.929 -4.462 18.250 1.00 0.00 C ATOM 62 O VAL A 5 -1.395 -3.504 18.867 1.00 0.00 O ATOM 63 CB VAL A 5 0.290 -5.824 19.957 1.00 0.00 C ATOM 64 CG1 VAL A 5 -0.966 -6.683 19.960 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.528 -6.672 20.204 1.00 0.00 C ATOM 0 H VAL A 5 1.486 -3.547 19.629 1.00 0.00 H new ATOM 0 HA VAL A 5 0.743 -5.743 17.846 1.00 0.00 H new ATOM 0 HB VAL A 5 0.201 -5.101 20.768 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.039 -7.217 20.907 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.842 -6.047 19.833 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.918 -7.401 19.142 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.418 -7.210 21.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.648 -7.386 19.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.406 -6.028 20.254 1.00 0.00 H new ATOM 75 N THR A 6 -1.558 -5.041 17.231 1.00 0.00 N ATOM 76 CA THR A 6 -2.858 -4.572 16.772 1.00 0.00 C ATOM 77 C THR A 6 -3.987 -5.251 17.541 1.00 0.00 C ATOM 78 O THR A 6 -3.897 -6.433 17.879 1.00 0.00 O ATOM 79 CB THR A 6 -3.051 -4.822 15.263 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.128 -4.016 14.768 1.00 0.00 O ATOM 81 CG2 THR A 6 -3.341 -6.289 14.982 1.00 0.00 C ATOM 0 H THR A 6 -1.187 -5.835 16.709 1.00 0.00 H new ATOM 0 HA THR A 6 -2.890 -3.498 16.956 1.00 0.00 H new ATOM 0 HB THR A 6 -2.126 -4.551 14.755 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.349 -4.291 13.854 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.473 -6.435 13.910 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.507 -6.898 15.332 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.251 -6.586 15.503 1.00 0.00 H new ATOM 89 N ASP A 7 -5.044 -4.489 17.817 1.00 0.00 N ATOM 90 CA ASP A 7 -6.198 -4.999 18.553 1.00 0.00 C ATOM 91 C ASP A 7 -6.625 -6.370 18.041 1.00 0.00 C ATOM 92 O ASP A 7 -7.248 -7.146 18.766 1.00 0.00 O ATOM 93 CB ASP A 7 -7.368 -4.018 18.447 1.00 0.00 C ATOM 94 CG ASP A 7 -7.761 -3.741 17.009 1.00 0.00 C ATOM 95 OD1 ASP A 7 -7.234 -4.425 16.106 1.00 0.00 O ATOM 96 OD2 ASP A 7 -8.595 -2.838 16.785 1.00 0.00 O ATOM 0 H ASP A 7 -5.124 -3.511 17.540 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.905 -5.103 19.598 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.226 -4.421 18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.098 -3.081 18.934 1.00 0.00 H new ATOM 101 N SER A 8 -6.280 -6.668 16.795 1.00 0.00 N ATOM 102 CA SER A 8 -6.619 -7.950 16.198 1.00 0.00 C ATOM 103 C SER A 8 -5.927 -9.067 16.957 1.00 0.00 C ATOM 104 O SER A 8 -6.292 -10.237 16.839 1.00 0.00 O ATOM 105 CB SER A 8 -6.208 -7.979 14.725 1.00 0.00 C ATOM 106 OG SER A 8 -6.979 -8.921 13.999 1.00 0.00 O ATOM 0 H SER A 8 -5.766 -6.038 16.179 1.00 0.00 H new ATOM 0 HA SER A 8 -7.698 -8.092 16.257 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.334 -6.988 14.289 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.150 -8.230 14.644 1.00 0.00 H new ATOM 0 HG SER A 8 -7.105 -9.728 14.541 1.00 0.00 H new ATOM 112 N GLY A 9 -4.926 -8.692 17.744 1.00 0.00 N ATOM 113 CA GLY A 9 -4.201 -9.664 18.522 1.00 0.00 C ATOM 114 C GLY A 9 -2.895 -10.078 17.875 1.00 0.00 C ATOM 115 O GLY A 9 -2.432 -11.202 18.067 1.00 0.00 O ATOM 0 H GLY A 9 -4.607 -7.729 17.854 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.997 -9.252 19.510 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.825 -10.546 18.666 1.00 0.00 H new ATOM 119 N VAL A 10 -2.298 -9.173 17.104 1.00 0.00 N ATOM 120 CA VAL A 10 -1.037 -9.470 16.433 1.00 0.00 C ATOM 121 C VAL A 10 0.076 -8.532 16.896 1.00 0.00 C ATOM 122 O VAL A 10 -0.144 -7.654 17.729 1.00 0.00 O ATOM 123 CB VAL A 10 -1.183 -9.390 14.897 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.959 -7.973 14.390 1.00 0.00 C ATOM 125 CG2 VAL A 10 -0.228 -10.361 14.220 1.00 0.00 C ATOM 0 H VAL A 10 -2.663 -8.237 16.930 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.767 -10.491 16.704 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.205 -9.673 14.643 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.069 -7.953 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.692 -7.305 14.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.045 -7.645 14.659 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.344 -10.291 13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.798 -10.111 14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.452 -11.377 14.544 1.00 0.00 H new ATOM 135 N VAL A 11 1.270 -8.723 16.345 1.00 0.00 N ATOM 136 CA VAL A 11 2.417 -7.896 16.697 1.00 0.00 C ATOM 137 C VAL A 11 3.245 -7.553 15.463 1.00 0.00 C ATOM 138 O VAL A 11 4.153 -8.294 15.088 1.00 0.00 O ATOM 139 CB VAL A 11 3.322 -8.594 17.730 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.109 -7.569 18.532 1.00 0.00 C ATOM 141 CG2 VAL A 11 2.497 -9.482 18.648 1.00 0.00 C ATOM 0 H VAL A 11 1.468 -9.445 15.652 1.00 0.00 H new ATOM 0 HA VAL A 11 2.022 -6.979 17.135 1.00 0.00 H new ATOM 0 HB VAL A 11 4.033 -9.224 17.196 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.742 -8.082 19.256 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.732 -6.980 17.858 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.418 -6.909 19.057 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.153 -9.967 19.371 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.761 -8.876 19.176 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.985 -10.241 18.056 1.00 0.00 H new ATOM 151 N TYR A 12 2.927 -6.425 14.835 1.00 0.00 N ATOM 152 CA TYR A 12 3.644 -5.985 13.644 1.00 0.00 C ATOM 153 C TYR A 12 4.866 -5.156 14.025 1.00 0.00 C ATOM 154 O TYR A 12 4.773 -4.229 14.829 1.00 0.00 O ATOM 155 CB TYR A 12 2.723 -5.162 12.740 1.00 0.00 C ATOM 156 CG TYR A 12 1.616 -5.966 12.098 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.878 -6.829 11.039 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.305 -5.861 12.547 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.866 -7.561 10.449 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.712 -6.589 11.961 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.427 -7.438 10.913 1.00 0.00 C ATOM 162 OH TYR A 12 -1.437 -8.165 10.328 1.00 0.00 O ATOM 0 H TYR A 12 2.178 -5.800 15.131 1.00 0.00 H new ATOM 0 HA TYR A 12 3.976 -6.871 13.103 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.281 -4.356 13.326 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.321 -4.696 11.957 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.889 -6.928 10.672 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.077 -5.198 13.369 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.086 -8.227 9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.725 -6.494 12.322 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.604 -7.825 9.424 1.00 0.00 H new ATOM 172 N SER A 13 6.011 -5.494 13.442 1.00 0.00 N ATOM 173 CA SER A 13 7.250 -4.778 13.720 1.00 0.00 C ATOM 174 C SER A 13 7.164 -3.338 13.228 1.00 0.00 C ATOM 175 O SER A 13 6.367 -3.019 12.347 1.00 0.00 O ATOM 176 CB SER A 13 8.433 -5.485 13.059 1.00 0.00 C ATOM 177 OG SER A 13 8.634 -5.017 11.737 1.00 0.00 O ATOM 0 H SER A 13 6.107 -6.259 12.774 1.00 0.00 H new ATOM 0 HA SER A 13 7.401 -4.768 14.799 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.335 -5.319 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.256 -6.560 13.044 1.00 0.00 H new ATOM 0 HG SER A 13 7.907 -5.336 11.163 1.00 0.00 H new ATOM 183 N VAL A 14 7.990 -2.472 13.803 1.00 0.00 N ATOM 184 CA VAL A 14 8.010 -1.069 13.427 1.00 0.00 C ATOM 185 C VAL A 14 8.126 -0.905 11.916 1.00 0.00 C ATOM 186 O VAL A 14 8.343 -1.877 11.193 1.00 0.00 O ATOM 187 CB VAL A 14 9.173 -0.336 14.110 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.127 -0.564 15.611 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.506 -0.789 13.535 1.00 0.00 C ATOM 0 H VAL A 14 8.656 -2.721 14.534 1.00 0.00 H new ATOM 0 HA VAL A 14 7.068 -0.632 13.757 1.00 0.00 H new ATOM 0 HB VAL A 14 9.071 0.732 13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.957 -0.039 16.084 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.185 -0.186 16.008 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.206 -1.631 15.820 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.317 -0.257 14.033 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.625 -1.861 13.692 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.533 -0.574 12.467 1.00 0.00 H new ATOM 199 N GLY A 15 7.973 0.327 11.445 1.00 0.00 N ATOM 200 CA GLY A 15 8.058 0.586 10.021 1.00 0.00 C ATOM 201 C GLY A 15 7.423 -0.519 9.203 1.00 0.00 C ATOM 202 O GLY A 15 7.835 -0.783 8.073 1.00 0.00 O ATOM 0 H GLY A 15 7.792 1.149 12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.566 1.532 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.104 0.694 9.734 1.00 0.00 H new ATOM 206 N MET A 16 6.415 -1.170 9.778 1.00 0.00 N ATOM 207 CA MET A 16 5.721 -2.259 9.096 1.00 0.00 C ATOM 208 C MET A 16 4.244 -1.931 8.909 1.00 0.00 C ATOM 209 O MET A 16 3.505 -1.778 9.882 1.00 0.00 O ATOM 210 CB MET A 16 5.870 -3.561 9.886 1.00 0.00 C ATOM 211 CG MET A 16 5.623 -4.808 9.055 1.00 0.00 C ATOM 212 SD MET A 16 5.675 -6.319 10.039 1.00 0.00 S ATOM 213 CE MET A 16 6.645 -7.383 8.974 1.00 0.00 C ATOM 0 H MET A 16 6.061 -0.963 10.712 1.00 0.00 H new ATOM 0 HA MET A 16 6.174 -2.385 8.113 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.874 -3.608 10.307 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.173 -3.549 10.724 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.651 -4.729 8.568 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.371 -4.868 8.265 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.588 -8.410 9.336 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.254 -7.334 7.958 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.684 -7.054 8.979 1.00 0.00 H new ATOM 223 N GLN A 17 3.820 -1.824 7.653 1.00 0.00 N ATOM 224 CA GLN A 17 2.430 -1.511 7.337 1.00 0.00 C ATOM 225 C GLN A 17 1.566 -2.768 7.347 1.00 0.00 C ATOM 226 O GLN A 17 2.073 -3.884 7.229 1.00 0.00 O ATOM 227 CB GLN A 17 2.337 -0.825 5.973 1.00 0.00 C ATOM 228 CG GLN A 17 3.671 -0.311 5.456 1.00 0.00 C ATOM 229 CD GLN A 17 4.322 -1.265 4.473 1.00 0.00 C ATOM 230 OE1 GLN A 17 4.769 -2.349 4.847 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.379 -0.864 3.209 1.00 0.00 N ATOM 0 H GLN A 17 4.419 -1.949 6.837 1.00 0.00 H new ATOM 0 HA GLN A 17 2.057 -0.833 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.924 -1.528 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.638 0.009 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.522 0.655 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.344 -0.147 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.995 0.043 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.806 -1.463 2.503 1.00 0.00 H new ATOM 240 N TRP A 18 0.258 -2.576 7.485 1.00 0.00 N ATOM 241 CA TRP A 18 -0.683 -3.691 7.506 1.00 0.00 C ATOM 242 C TRP A 18 -2.121 -3.185 7.596 1.00 0.00 C ATOM 243 O TRP A 18 -2.519 -2.588 8.596 1.00 0.00 O ATOM 244 CB TRP A 18 -0.370 -4.629 8.677 1.00 0.00 C ATOM 245 CG TRP A 18 -1.075 -4.270 9.950 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.376 -4.535 10.270 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.517 -3.585 11.078 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.662 -4.056 11.526 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.536 -3.470 12.044 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.746 -3.059 11.366 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.329 -2.852 13.274 1.00 0.00 C ATOM 252 CZ3 TRP A 18 0.949 -2.446 12.588 1.00 0.00 C ATOM 253 CH2 TRP A 18 -0.084 -2.348 13.529 1.00 0.00 C ATOM 0 H TRP A 18 -0.175 -1.658 7.584 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.576 -4.248 6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.643 -5.647 8.397 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.705 -4.625 8.855 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.078 -5.047 9.629 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.565 -4.125 11.996 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.548 -3.130 10.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.124 -2.773 14.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.920 -2.036 12.821 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.107 -1.864 14.476 1.00 0.00 H new ATOM 264 N LEU A 19 -2.892 -3.429 6.541 1.00 0.00 N ATOM 265 CA LEU A 19 -4.285 -2.998 6.495 1.00 0.00 C ATOM 266 C LEU A 19 -5.091 -3.635 7.621 1.00 0.00 C ATOM 267 O LEU A 19 -4.623 -4.557 8.288 1.00 0.00 O ATOM 268 CB LEU A 19 -4.906 -3.354 5.143 1.00 0.00 C ATOM 269 CG LEU A 19 -4.461 -2.472 3.974 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.897 -3.081 2.651 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.018 -1.065 4.126 1.00 0.00 C ATOM 0 H LEU A 19 -2.576 -3.923 5.706 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.308 -1.916 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.662 -4.390 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.991 -3.294 5.231 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.373 -2.412 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.572 -2.441 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.449 -4.068 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.983 -3.171 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.692 -0.452 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.107 -1.105 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.655 -0.629 5.057 1.00 0.00 H new ATOM 283 N LYS A 20 -6.306 -3.138 7.827 1.00 0.00 N ATOM 284 CA LYS A 20 -7.177 -3.659 8.874 1.00 0.00 C ATOM 285 C LYS A 20 -8.644 -3.418 8.535 1.00 0.00 C ATOM 286 O LYS A 20 -9.106 -2.277 8.505 1.00 0.00 O ATOM 287 CB LYS A 20 -6.836 -3.008 10.215 1.00 0.00 C ATOM 288 CG LYS A 20 -5.733 -3.727 10.974 1.00 0.00 C ATOM 289 CD LYS A 20 -6.129 -5.155 11.308 1.00 0.00 C ATOM 290 CE LYS A 20 -4.972 -6.118 11.097 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.382 -7.534 11.314 1.00 0.00 N ATOM 0 H LYS A 20 -6.710 -2.375 7.283 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.015 -4.734 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.534 -1.975 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.733 -2.978 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.821 -3.731 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.509 -3.186 11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.463 -5.208 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.972 -5.455 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.584 -6.003 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.161 -5.866 11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.554 -8.096 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.102 -7.576 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.777 -7.920 10.433 1.00 0.00 H new ATOM 305 N THR A 21 -9.372 -4.500 8.280 1.00 0.00 N ATOM 306 CA THR A 21 -10.788 -4.407 7.944 1.00 0.00 C ATOM 307 C THR A 21 -11.627 -4.101 9.180 1.00 0.00 C ATOM 308 O THR A 21 -11.961 -4.999 9.953 1.00 0.00 O ATOM 309 CB THR A 21 -11.300 -5.709 7.300 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.200 -6.586 7.027 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.053 -5.415 6.012 1.00 0.00 C ATOM 0 H THR A 21 -9.005 -5.451 8.300 1.00 0.00 H new ATOM 0 HA THR A 21 -10.890 -3.592 7.227 1.00 0.00 H new ATOM 0 HB THR A 21 -11.983 -6.191 7.999 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.534 -7.412 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.405 -6.349 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.906 -4.771 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.389 -4.913 5.309 1.00 0.00 H new ATOM 319 N GLN A 22 -11.965 -2.829 9.359 1.00 0.00 N ATOM 320 CA GLN A 22 -12.766 -2.405 10.502 1.00 0.00 C ATOM 321 C GLN A 22 -14.160 -1.973 10.058 1.00 0.00 C ATOM 322 O GLN A 22 -14.418 -0.786 9.855 1.00 0.00 O ATOM 323 CB GLN A 22 -12.074 -1.255 11.238 1.00 0.00 C ATOM 324 CG GLN A 22 -12.891 -0.690 12.388 1.00 0.00 C ATOM 325 CD GLN A 22 -12.296 -1.020 13.743 1.00 0.00 C ATOM 326 OE1 GLN A 22 -11.290 -1.723 13.838 1.00 0.00 O ATOM 327 NE2 GLN A 22 -12.917 -0.510 14.801 1.00 0.00 N ATOM 0 H GLN A 22 -11.697 -2.074 8.728 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.866 -3.253 11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.116 -1.605 11.622 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.861 -0.456 10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.963 0.392 12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.906 -1.083 12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.748 0.068 14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.563 -0.696 15.739 1.00 0.00 H new ATOM 336 N GLY A 23 -15.056 -2.944 9.911 1.00 0.00 N ATOM 337 CA GLY A 23 -16.412 -2.644 9.492 1.00 0.00 C ATOM 338 C GLY A 23 -16.689 -3.078 8.067 1.00 0.00 C ATOM 339 O GLY A 23 -17.171 -4.187 7.832 1.00 0.00 O ATOM 0 H GLY A 23 -14.867 -3.933 10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.114 -3.140 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.588 -1.572 9.583 1.00 0.00 H new ATOM 343 N ASN A 24 -16.384 -2.204 7.114 1.00 0.00 N ATOM 344 CA ASN A 24 -16.604 -2.503 5.704 1.00 0.00 C ATOM 345 C ASN A 24 -15.449 -1.986 4.852 1.00 0.00 C ATOM 346 O ASN A 24 -15.613 -1.717 3.662 1.00 0.00 O ATOM 347 CB ASN A 24 -17.920 -1.884 5.228 1.00 0.00 C ATOM 348 CG ASN A 24 -18.763 -2.861 4.434 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.332 -3.802 4.988 1.00 0.00 O ATOM 350 ND2 ASN A 24 -18.849 -2.642 3.127 1.00 0.00 N ATOM 0 H ASN A 24 -15.984 -1.283 7.292 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.659 -3.586 5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.488 -1.536 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.706 -1.010 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.403 -3.266 2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.361 -1.850 2.709 1.00 0.00 H new ATOM 357 N LYS A 25 -14.280 -1.849 5.469 1.00 0.00 N ATOM 358 CA LYS A 25 -13.096 -1.364 4.768 1.00 0.00 C ATOM 359 C LYS A 25 -11.832 -1.645 5.574 1.00 0.00 C ATOM 360 O LYS A 25 -11.882 -1.789 6.795 1.00 0.00 O ATOM 361 CB LYS A 25 -13.220 0.136 4.496 1.00 0.00 C ATOM 362 CG LYS A 25 -13.554 0.954 5.733 1.00 0.00 C ATOM 363 CD LYS A 25 -12.325 1.188 6.595 1.00 0.00 C ATOM 364 CE LYS A 25 -11.904 2.649 6.580 1.00 0.00 C ATOM 365 NZ LYS A 25 -12.777 3.488 7.445 1.00 0.00 N ATOM 0 H LYS A 25 -14.127 -2.067 6.454 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.023 -1.894 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.283 0.499 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.993 0.298 3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.977 1.913 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.316 0.438 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.533 0.879 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.504 0.568 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.871 2.732 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.937 3.026 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.456 4.477 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.759 3.429 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.726 3.145 8.426 1.00 0.00 H new ATOM 379 N GLN A 26 -10.701 -1.721 4.881 1.00 0.00 N ATOM 380 CA GLN A 26 -9.423 -1.985 5.532 1.00 0.00 C ATOM 381 C GLN A 26 -8.669 -0.686 5.798 1.00 0.00 C ATOM 382 O GLN A 26 -8.638 0.209 4.952 1.00 0.00 O ATOM 383 CB GLN A 26 -8.569 -2.917 4.669 1.00 0.00 C ATOM 384 CG GLN A 26 -9.376 -3.977 3.939 1.00 0.00 C ATOM 385 CD GLN A 26 -9.190 -3.918 2.435 1.00 0.00 C ATOM 386 OE1 GLN A 26 -7.943 -4.008 1.989 1.00 0.00 O flip ATOM 387 NE2 GLN A 26 -10.157 -3.793 1.683 1.00 0.00 N flip ATOM 0 H GLN A 26 -10.643 -1.604 3.869 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.624 -2.469 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.021 -2.322 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.828 -3.407 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.083 -4.963 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.432 -3.851 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.099 -3.728 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.016 -3.755 0.673 1.00 0.00 H new ATOM 396 N MET A 27 -8.063 -0.589 6.976 1.00 0.00 N ATOM 397 CA MET A 27 -7.308 0.602 7.351 1.00 0.00 C ATOM 398 C MET A 27 -5.809 0.326 7.323 1.00 0.00 C ATOM 399 O MET A 27 -5.330 -0.623 7.943 1.00 0.00 O ATOM 400 CB MET A 27 -7.725 1.076 8.745 1.00 0.00 C ATOM 401 CG MET A 27 -9.037 1.844 8.758 1.00 0.00 C ATOM 402 SD MET A 27 -8.960 3.332 9.774 1.00 0.00 S ATOM 403 CE MET A 27 -7.655 4.239 8.948 1.00 0.00 C ATOM 0 H MET A 27 -8.079 -1.320 7.687 1.00 0.00 H new ATOM 0 HA MET A 27 -7.528 1.386 6.626 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.813 0.211 9.403 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.938 1.710 9.155 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.303 2.119 7.737 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.830 1.195 9.130 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.018 5.230 8.674 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.801 4.338 9.617 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.352 3.702 8.049 1.00 0.00 H new ATOM 413 N LEU A 28 -5.072 1.162 6.598 1.00 0.00 N ATOM 414 CA LEU A 28 -3.627 1.009 6.489 1.00 0.00 C ATOM 415 C LEU A 28 -2.943 1.347 7.810 1.00 0.00 C ATOM 416 O LEU A 28 -2.658 2.510 8.093 1.00 0.00 O ATOM 417 CB LEU A 28 -3.080 1.903 5.375 1.00 0.00 C ATOM 418 CG LEU A 28 -1.856 1.348 4.641 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.266 0.241 3.682 1.00 0.00 C ATOM 420 CD2 LEU A 28 -1.131 2.460 3.899 1.00 0.00 C ATOM 0 H LEU A 28 -5.453 1.952 6.077 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.415 -0.032 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.873 2.077 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.820 2.872 5.802 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.173 0.926 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.383 -0.142 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.740 -0.567 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.969 0.637 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.264 2.048 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.805 2.912 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.804 3.219 4.610 1.00 0.00 H new ATOM 432 N CYS A 29 -2.683 0.321 8.614 1.00 0.00 N ATOM 433 CA CYS A 29 -2.031 0.508 9.906 1.00 0.00 C ATOM 434 C CYS A 29 -0.593 0.003 9.862 1.00 0.00 C ATOM 435 O CYS A 29 -0.342 -1.162 9.559 1.00 0.00 O ATOM 436 CB CYS A 29 -2.809 -0.222 11.002 1.00 0.00 C ATOM 437 SG CYS A 29 -3.536 0.879 12.258 1.00 0.00 S ATOM 0 H CYS A 29 -2.914 -0.648 8.394 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.017 1.574 10.131 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.606 -0.805 10.540 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.143 -0.929 11.496 1.00 0.00 H new ATOM 442 N THR A 30 0.350 0.890 10.166 1.00 0.00 N ATOM 443 CA THR A 30 1.762 0.531 10.158 1.00 0.00 C ATOM 444 C THR A 30 2.400 0.755 11.522 1.00 0.00 C ATOM 445 O THR A 30 2.349 1.857 12.070 1.00 0.00 O ATOM 446 CB THR A 30 2.544 1.344 9.109 1.00 0.00 C ATOM 447 OG1 THR A 30 1.909 1.238 7.829 1.00 0.00 O ATOM 448 CG2 THR A 30 3.983 0.861 9.010 1.00 0.00 C ATOM 0 H THR A 30 0.161 1.860 10.420 1.00 0.00 H new ATOM 0 HA THR A 30 1.811 -0.528 9.905 1.00 0.00 H new ATOM 0 HB THR A 30 2.549 2.387 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.413 1.760 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.514 1.451 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.472 0.975 9.977 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.995 -0.189 8.719 1.00 0.00 H new ATOM 456 N CYS A 31 3.010 -0.294 12.062 1.00 0.00 N ATOM 457 CA CYS A 31 3.666 -0.206 13.359 1.00 0.00 C ATOM 458 C CYS A 31 4.867 0.729 13.283 1.00 0.00 C ATOM 459 O CYS A 31 5.802 0.491 12.518 1.00 0.00 O ATOM 460 CB CYS A 31 4.112 -1.592 13.828 1.00 0.00 C ATOM 461 SG CYS A 31 5.278 -1.561 15.227 1.00 0.00 S ATOM 0 H CYS A 31 3.063 -1.213 11.622 1.00 0.00 H new ATOM 0 HA CYS A 31 2.952 0.195 14.079 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.232 -2.168 14.114 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.577 -2.115 12.992 1.00 0.00 H new ATOM 466 N LEU A 32 4.830 1.797 14.073 1.00 0.00 N ATOM 467 CA LEU A 32 5.912 2.772 14.088 1.00 0.00 C ATOM 468 C LEU A 32 6.280 3.158 15.517 1.00 0.00 C ATOM 469 O LEU A 32 5.432 3.157 16.409 1.00 0.00 O ATOM 470 CB LEU A 32 5.509 4.019 13.298 1.00 0.00 C ATOM 471 CG LEU A 32 5.143 3.766 11.834 1.00 0.00 C ATOM 472 CD1 LEU A 32 3.792 4.386 11.509 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.220 4.315 10.912 1.00 0.00 C ATOM 0 H LEU A 32 4.062 2.008 14.711 1.00 0.00 H new ATOM 0 HA LEU A 32 6.785 2.317 13.620 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.658 4.486 13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.331 4.734 13.333 1.00 0.00 H new ATOM 0 HG LEU A 32 5.074 2.690 11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.547 4.197 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.026 3.945 12.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.834 5.461 11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.942 4.126 9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.322 5.389 11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.169 3.825 11.129 1.00 0.00 H new ATOM 485 N GLY A 33 7.551 3.488 15.726 1.00 0.00 N ATOM 486 CA GLY A 33 8.011 3.872 17.048 1.00 0.00 C ATOM 487 C GLY A 33 7.325 3.091 18.151 1.00 0.00 C ATOM 488 O GLY A 33 7.785 2.017 18.538 1.00 0.00 O ATOM 0 H GLY A 33 8.271 3.496 15.003 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.088 3.717 17.114 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.832 4.937 17.196 1.00 0.00 H new ATOM 492 N ASN A 34 6.223 3.633 18.659 1.00 0.00 N ATOM 493 CA ASN A 34 5.474 2.980 19.727 1.00 0.00 C ATOM 494 C ASN A 34 3.976 3.010 19.439 1.00 0.00 C ATOM 495 O ASN A 34 3.158 2.750 20.321 1.00 0.00 O ATOM 496 CB ASN A 34 5.760 3.658 21.068 1.00 0.00 C ATOM 497 CG ASN A 34 5.739 2.680 22.226 1.00 0.00 C ATOM 498 OD1 ASN A 34 5.093 1.634 22.160 1.00 0.00 O ATOM 499 ND2 ASN A 34 6.448 3.017 23.297 1.00 0.00 N ATOM 0 H ASN A 34 5.829 4.521 18.349 1.00 0.00 H new ATOM 0 HA ASN A 34 5.796 1.940 19.777 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.734 4.145 21.025 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.020 4.439 21.242 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.472 2.399 24.108 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.969 3.894 23.309 1.00 0.00 H new ATOM 506 N GLY A 35 3.624 3.330 18.198 1.00 0.00 N ATOM 507 CA GLY A 35 2.225 3.389 17.816 1.00 0.00 C ATOM 508 C GLY A 35 2.020 3.164 16.331 1.00 0.00 C ATOM 509 O GLY A 35 2.732 3.735 15.506 1.00 0.00 O ATOM 0 H GLY A 35 4.282 3.549 17.450 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.667 2.638 18.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.816 4.361 18.093 1.00 0.00 H new ATOM 513 N VAL A 36 1.044 2.329 15.990 1.00 0.00 N ATOM 514 CA VAL A 36 0.747 2.029 14.595 1.00 0.00 C ATOM 515 C VAL A 36 -0.112 3.123 13.970 1.00 0.00 C ATOM 516 O VAL A 36 -1.294 3.255 14.287 1.00 0.00 O ATOM 517 CB VAL A 36 0.029 0.672 14.451 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.052 0.521 15.511 1.00 0.00 C ATOM 519 CG2 VAL A 36 -0.560 0.513 13.055 1.00 0.00 C ATOM 0 H VAL A 36 0.445 1.848 16.661 1.00 0.00 H new ATOM 0 HA VAL A 36 1.701 1.979 14.070 1.00 0.00 H new ATOM 0 HB VAL A 36 0.766 -0.117 14.598 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.546 -0.443 15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.601 0.577 16.502 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.785 1.321 15.400 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.061 -0.452 12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.280 1.311 12.871 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.238 0.566 12.315 1.00 0.00 H new ATOM 529 N SER A 37 0.491 3.904 13.077 1.00 0.00 N ATOM 530 CA SER A 37 -0.221 4.984 12.405 1.00 0.00 C ATOM 531 C SER A 37 -1.160 4.430 11.337 1.00 0.00 C ATOM 532 O SER A 37 -0.716 3.961 10.289 1.00 0.00 O ATOM 533 CB SER A 37 0.770 5.962 11.773 1.00 0.00 C ATOM 534 OG SER A 37 1.210 5.497 10.509 1.00 0.00 O ATOM 0 H SER A 37 1.469 3.808 12.803 1.00 0.00 H new ATOM 0 HA SER A 37 -0.816 5.514 13.149 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.300 6.939 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.627 6.094 12.434 1.00 0.00 H new ATOM 0 HG SER A 37 0.949 4.559 10.397 1.00 0.00 H new ATOM 540 N CYS A 38 -2.459 4.486 11.611 1.00 0.00 N ATOM 541 CA CYS A 38 -3.459 3.988 10.675 1.00 0.00 C ATOM 542 C CYS A 38 -3.817 5.050 9.640 1.00 0.00 C ATOM 543 O CYS A 38 -3.767 6.247 9.921 1.00 0.00 O ATOM 544 CB CYS A 38 -4.717 3.548 11.426 1.00 0.00 C ATOM 545 SG CYS A 38 -5.082 1.767 11.287 1.00 0.00 S ATOM 0 H CYS A 38 -2.843 4.871 12.474 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.035 3.129 10.155 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.606 3.804 12.480 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.569 4.113 11.048 1.00 0.00 H new ATOM 550 N GLN A 39 -4.179 4.602 8.443 1.00 0.00 N ATOM 551 CA GLN A 39 -4.547 5.511 7.363 1.00 0.00 C ATOM 552 C GLN A 39 -5.479 4.825 6.370 1.00 0.00 C ATOM 553 O GLN A 39 -5.120 3.817 5.762 1.00 0.00 O ATOM 554 CB GLN A 39 -3.295 6.014 6.643 1.00 0.00 C ATOM 555 CG GLN A 39 -2.707 7.276 7.252 1.00 0.00 C ATOM 556 CD GLN A 39 -1.259 7.494 6.859 1.00 0.00 C ATOM 557 OE1 GLN A 39 -0.800 6.993 5.833 1.00 0.00 O ATOM 558 NE2 GLN A 39 -0.532 8.248 7.675 1.00 0.00 N ATOM 0 H GLN A 39 -4.226 3.614 8.196 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.072 6.361 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.539 5.229 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.539 6.205 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.298 8.136 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.780 7.219 8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.954 8.643 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.448 8.432 7.462 1.00 0.00 H new ATOM 567 N GLU A 40 -6.677 5.378 6.211 1.00 0.00 N ATOM 568 CA GLU A 40 -7.661 4.820 5.292 1.00 0.00 C ATOM 569 C GLU A 40 -7.051 4.593 3.912 1.00 0.00 C ATOM 570 O GLU A 40 -5.840 4.715 3.731 1.00 0.00 O ATOM 571 CB GLU A 40 -8.871 5.749 5.182 1.00 0.00 C ATOM 572 CG GLU A 40 -10.004 5.387 6.128 1.00 0.00 C ATOM 573 CD GLU A 40 -10.924 6.559 6.412 1.00 0.00 C ATOM 574 OE1 GLU A 40 -11.235 7.312 5.464 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.334 6.723 7.580 1.00 0.00 O ATOM 0 H GLU A 40 -6.989 6.213 6.707 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.986 3.858 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.553 6.772 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.243 5.727 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.584 4.570 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.586 5.022 7.066 1.00 0.00 H new ATOM 582 N THR A 41 -7.899 4.263 2.944 1.00 0.00 N ATOM 583 CA THR A 41 -7.446 4.019 1.580 1.00 0.00 C ATOM 584 C THR A 41 -6.294 4.946 1.209 1.00 0.00 C ATOM 585 O THR A 41 -5.419 4.582 0.424 1.00 0.00 O ATOM 586 CB THR A 41 -8.589 4.210 0.565 1.00 0.00 C ATOM 587 OG1 THR A 41 -9.854 4.148 1.234 1.00 0.00 O ATOM 588 CG2 THR A 41 -8.531 3.144 -0.520 1.00 0.00 C ATOM 0 H THR A 41 -8.905 4.158 3.079 1.00 0.00 H new ATOM 0 HA THR A 41 -7.104 2.985 1.542 1.00 0.00 H new ATOM 0 HB THR A 41 -8.473 5.189 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.575 4.272 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.347 3.298 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.579 3.212 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.625 2.157 -0.066 1.00 0.00 H new ATOM 596 N ALA A 42 -6.300 6.147 1.778 1.00 0.00 N ATOM 597 CA ALA A 42 -5.255 7.126 1.507 1.00 0.00 C ATOM 598 C ALA A 42 -3.891 6.454 1.389 1.00 0.00 C ATOM 599 O ALA A 42 -3.242 6.164 2.393 1.00 0.00 O ATOM 600 CB ALA A 42 -5.229 8.186 2.598 1.00 0.00 C ATOM 0 H ALA A 42 -7.017 6.465 2.430 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.479 7.606 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.444 8.911 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.192 8.695 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.032 7.713 3.560 1.00 0.00 H new ATOM 606 N VAL A 43 -3.463 6.209 0.154 1.00 0.00 N ATOM 607 CA VAL A 43 -2.177 5.571 -0.095 1.00 0.00 C ATOM 608 C VAL A 43 -1.097 6.607 -0.387 1.00 0.00 C ATOM 609 O VAL A 43 -1.368 7.652 -0.977 1.00 0.00 O ATOM 610 CB VAL A 43 -2.257 4.586 -1.277 1.00 0.00 C ATOM 611 CG1 VAL A 43 -2.625 5.317 -2.558 1.00 0.00 C ATOM 612 CG2 VAL A 43 -0.945 3.836 -1.438 1.00 0.00 C ATOM 0 H VAL A 43 -3.988 6.443 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.917 5.022 0.810 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.040 3.857 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.677 4.605 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.594 5.801 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.869 6.071 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.021 3.145 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.140 4.547 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.731 3.277 -0.527 1.00 0.00 H new ATOM 622 N THR A 44 0.130 6.309 0.031 1.00 0.00 N ATOM 623 CA THR A 44 1.251 7.215 -0.185 1.00 0.00 C ATOM 624 C THR A 44 0.853 8.660 0.098 1.00 0.00 C ATOM 625 O THR A 44 -0.231 8.926 0.617 1.00 0.00 O ATOM 626 CB THR A 44 1.784 7.116 -1.627 1.00 0.00 C ATOM 627 OG1 THR A 44 1.222 5.972 -2.280 1.00 0.00 O ATOM 628 CG2 THR A 44 3.302 7.016 -1.637 1.00 0.00 C ATOM 0 H THR A 44 0.372 5.448 0.521 1.00 0.00 H new ATOM 0 HA THR A 44 2.037 6.914 0.507 1.00 0.00 H new ATOM 0 HB THR A 44 1.491 8.020 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.294 6.081 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.655 6.947 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.728 7.902 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.612 6.128 -1.087 1.00 0.00 H new ATOM 636 N GLN A 45 1.739 9.590 -0.246 1.00 0.00 N ATOM 637 CA GLN A 45 1.480 11.009 -0.029 1.00 0.00 C ATOM 638 C GLN A 45 1.292 11.737 -1.355 1.00 0.00 C ATOM 639 O GLN A 45 2.131 12.542 -1.758 1.00 0.00 O ATOM 640 CB GLN A 45 2.630 11.643 0.756 1.00 0.00 C ATOM 641 CG GLN A 45 2.172 12.659 1.791 1.00 0.00 C ATOM 642 CD GLN A 45 2.133 12.085 3.193 1.00 0.00 C ATOM 643 OE1 GLN A 45 2.437 10.911 3.406 1.00 0.00 O ATOM 644 NE2 GLN A 45 1.755 12.912 4.161 1.00 0.00 N ATOM 0 H GLN A 45 2.641 9.387 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 45 0.560 11.101 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.195 10.856 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.311 12.130 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.842 13.518 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.180 13.023 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.512 13.878 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.708 12.581 5.125 1.00 0.00 H new ATOM 653 N THR A 46 0.183 11.449 -2.030 1.00 0.00 N ATOM 654 CA THR A 46 -0.117 12.077 -3.311 1.00 0.00 C ATOM 655 C THR A 46 0.351 13.528 -3.334 1.00 0.00 C ATOM 656 O THR A 46 0.146 14.272 -2.375 1.00 0.00 O ATOM 657 CB THR A 46 -1.624 12.031 -3.621 1.00 0.00 C ATOM 658 OG1 THR A 46 -2.377 12.336 -2.441 1.00 0.00 O ATOM 659 CG2 THR A 46 -2.027 10.660 -4.145 1.00 0.00 C ATOM 0 H THR A 46 -0.522 10.785 -1.711 1.00 0.00 H new ATOM 0 HA THR A 46 0.420 11.512 -4.073 1.00 0.00 H new ATOM 0 HB THR A 46 -1.837 12.774 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.993 13.124 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.096 10.651 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.474 10.443 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.800 9.903 -3.395 1.00 0.00 H new ATOM 667 N TYR A 47 0.981 13.924 -4.436 1.00 0.00 N ATOM 668 CA TYR A 47 1.479 15.286 -4.582 1.00 0.00 C ATOM 669 C TYR A 47 1.209 15.816 -5.987 1.00 0.00 C ATOM 670 O TYR A 47 0.938 15.048 -6.910 1.00 0.00 O ATOM 671 CB TYR A 47 2.978 15.339 -4.285 1.00 0.00 C ATOM 672 CG TYR A 47 3.807 14.451 -5.184 1.00 0.00 C ATOM 673 CD1 TYR A 47 4.098 14.827 -6.488 1.00 0.00 C ATOM 674 CD2 TYR A 47 4.298 13.233 -4.727 1.00 0.00 C ATOM 675 CE1 TYR A 47 4.856 14.017 -7.313 1.00 0.00 C ATOM 676 CE2 TYR A 47 5.055 12.417 -5.546 1.00 0.00 C ATOM 677 CZ TYR A 47 5.331 12.813 -6.838 1.00 0.00 C ATOM 678 OH TYR A 47 6.085 12.004 -7.655 1.00 0.00 O ATOM 0 H TYR A 47 1.158 13.321 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 47 0.952 15.917 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.323 16.368 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.144 15.048 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.726 15.768 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.084 12.920 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.075 14.326 -8.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.429 11.474 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 47 5.787 11.075 -7.561 1.00 0.00 H new ATOM 688 N GLY A 48 1.285 17.134 -6.142 1.00 0.00 N ATOM 689 CA GLY A 48 1.047 17.745 -7.436 1.00 0.00 C ATOM 690 C GLY A 48 -0.169 17.168 -8.135 1.00 0.00 C ATOM 691 O GLY A 48 -0.976 16.473 -7.519 1.00 0.00 O ATOM 0 H GLY A 48 1.507 17.790 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.913 18.819 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.925 17.606 -8.067 1.00 0.00 H new ATOM 695 N GLY A 49 -0.299 17.458 -9.426 1.00 0.00 N ATOM 696 CA GLY A 49 -1.426 16.956 -10.189 1.00 0.00 C ATOM 697 C GLY A 49 -2.612 17.900 -10.162 1.00 0.00 C ATOM 698 O GLY A 49 -2.516 19.013 -9.646 1.00 0.00 O ATOM 0 H GLY A 49 0.356 18.032 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.118 16.794 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.728 15.987 -9.791 1.00 0.00 H new ATOM 702 N ASN A 50 -3.733 17.453 -10.717 1.00 0.00 N ATOM 703 CA ASN A 50 -4.945 18.265 -10.753 1.00 0.00 C ATOM 704 C ASN A 50 -5.792 18.036 -9.506 1.00 0.00 C ATOM 705 O ASN A 50 -7.002 18.260 -9.516 1.00 0.00 O ATOM 706 CB ASN A 50 -5.762 17.942 -12.006 1.00 0.00 C ATOM 707 CG ASN A 50 -5.734 16.466 -12.351 1.00 0.00 C ATOM 708 OD1 ASN A 50 -5.165 15.657 -11.620 1.00 0.00 O ATOM 709 ND2 ASN A 50 -6.351 16.110 -13.471 1.00 0.00 N ATOM 0 H ASN A 50 -3.828 16.533 -11.148 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.649 19.314 -10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.794 18.257 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.374 18.516 -12.847 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.366 15.131 -13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.810 16.816 -14.047 1.00 0.00 H new ATOM 716 N SER A 51 -5.146 17.589 -8.433 1.00 0.00 N ATOM 717 CA SER A 51 -5.840 17.330 -7.177 1.00 0.00 C ATOM 718 C SER A 51 -4.990 17.763 -5.987 1.00 0.00 C ATOM 719 O SER A 51 -5.307 17.449 -4.840 1.00 0.00 O ATOM 720 CB SER A 51 -6.186 15.845 -7.059 1.00 0.00 C ATOM 721 OG SER A 51 -7.444 15.663 -6.431 1.00 0.00 O ATOM 0 H SER A 51 -4.144 17.399 -8.409 1.00 0.00 H new ATOM 0 HA SER A 51 -6.762 17.912 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.202 15.392 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.413 15.332 -6.487 1.00 0.00 H new ATOM 0 HG SER A 51 -7.452 16.135 -5.572 1.00 0.00 H new ATOM 727 N ASN A 52 -3.910 18.485 -6.267 1.00 0.00 N ATOM 728 CA ASN A 52 -3.016 18.961 -5.219 1.00 0.00 C ATOM 729 C ASN A 52 -2.339 17.794 -4.509 1.00 0.00 C ATOM 730 O ASN A 52 -1.722 17.967 -3.458 1.00 0.00 O ATOM 731 CB ASN A 52 -3.790 19.809 -4.208 1.00 0.00 C ATOM 732 CG ASN A 52 -2.938 20.221 -3.024 1.00 0.00 C ATOM 733 OD1 ASN A 52 -3.268 19.929 -1.874 1.00 0.00 O ATOM 734 ND2 ASN A 52 -1.834 20.904 -3.300 1.00 0.00 N ATOM 0 H ASN A 52 -3.633 18.753 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.245 19.575 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.173 20.701 -4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.653 19.247 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.220 21.209 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.599 21.124 -4.268 1.00 0.00 H new ATOM 741 N GLY A 53 -2.459 16.604 -5.089 1.00 0.00 N ATOM 742 CA GLY A 53 -1.853 15.426 -4.497 1.00 0.00 C ATOM 743 C GLY A 53 -2.705 14.826 -3.395 1.00 0.00 C ATOM 744 O GLY A 53 -2.244 14.662 -2.266 1.00 0.00 O ATOM 0 H GLY A 53 -2.965 16.435 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.688 14.678 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.875 15.688 -4.094 1.00 0.00 H new ATOM 748 N GLU A 54 -3.950 14.499 -3.724 1.00 0.00 N ATOM 749 CA GLU A 54 -4.868 13.914 -2.754 1.00 0.00 C ATOM 750 C GLU A 54 -5.001 12.409 -2.969 1.00 0.00 C ATOM 751 O GLU A 54 -4.297 11.824 -3.792 1.00 0.00 O ATOM 752 CB GLU A 54 -6.240 14.583 -2.852 1.00 0.00 C ATOM 753 CG GLU A 54 -6.642 15.340 -1.597 1.00 0.00 C ATOM 754 CD GLU A 54 -7.314 16.663 -1.904 1.00 0.00 C ATOM 755 OE1 GLU A 54 -6.632 17.569 -2.426 1.00 0.00 O ATOM 756 OE2 GLU A 54 -8.524 16.793 -1.621 1.00 0.00 O ATOM 0 H GLU A 54 -4.346 14.629 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.462 14.083 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.239 15.272 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.991 13.822 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.318 14.722 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.757 15.519 -0.986 1.00 0.00 H new ATOM 763 N PRO A 55 -5.906 11.765 -2.220 1.00 0.00 N ATOM 764 CA PRO A 55 -6.140 10.321 -2.311 1.00 0.00 C ATOM 765 C PRO A 55 -6.849 9.933 -3.604 1.00 0.00 C ATOM 766 O PRO A 55 -7.678 10.683 -4.118 1.00 0.00 O ATOM 767 CB PRO A 55 -7.032 10.016 -1.096 1.00 0.00 C ATOM 768 CG PRO A 55 -7.018 11.258 -0.264 1.00 0.00 C ATOM 769 CD PRO A 55 -6.772 12.388 -1.219 1.00 0.00 C ATOM 0 HA PRO A 55 -5.206 9.759 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.046 9.764 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.651 9.164 -0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.965 11.388 0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.237 11.211 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.698 12.760 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.288 13.234 -0.732 1.00 0.00 H new ATOM 777 N CYS A 56 -6.518 8.756 -4.124 1.00 0.00 N ATOM 778 CA CYS A 56 -7.125 8.268 -5.358 1.00 0.00 C ATOM 779 C CYS A 56 -8.435 7.550 -5.075 1.00 0.00 C ATOM 780 O CYS A 56 -8.768 7.264 -3.924 1.00 0.00 O ATOM 781 CB CYS A 56 -6.164 7.331 -6.093 1.00 0.00 C ATOM 782 SG CYS A 56 -4.416 7.532 -5.620 1.00 0.00 S ATOM 0 H CYS A 56 -5.834 8.122 -3.711 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.335 9.130 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.464 6.300 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.260 7.499 -7.166 1.00 0.00 H new ATOM 787 N VAL A 57 -9.180 7.274 -6.137 1.00 0.00 N ATOM 788 CA VAL A 57 -10.462 6.604 -6.022 1.00 0.00 C ATOM 789 C VAL A 57 -10.706 5.695 -7.225 1.00 0.00 C ATOM 790 O VAL A 57 -11.450 6.042 -8.141 1.00 0.00 O ATOM 791 CB VAL A 57 -11.596 7.642 -5.905 1.00 0.00 C ATOM 792 CG1 VAL A 57 -11.266 8.871 -6.738 1.00 0.00 C ATOM 793 CG2 VAL A 57 -12.941 7.050 -6.310 1.00 0.00 C ATOM 0 H VAL A 57 -8.913 7.507 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.449 5.990 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.678 7.940 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.073 9.598 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.337 9.314 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.151 8.582 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.716 7.810 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.892 6.709 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.178 6.207 -5.661 1.00 0.00 H new ATOM 803 N LEU A 58 -10.066 4.529 -7.216 1.00 0.00 N ATOM 804 CA LEU A 58 -10.205 3.569 -8.303 1.00 0.00 C ATOM 805 C LEU A 58 -11.324 2.573 -8.010 1.00 0.00 C ATOM 806 O LEU A 58 -11.942 2.617 -6.946 1.00 0.00 O ATOM 807 CB LEU A 58 -8.886 2.826 -8.523 1.00 0.00 C ATOM 808 CG LEU A 58 -7.683 3.411 -7.778 1.00 0.00 C ATOM 809 CD1 LEU A 58 -7.440 2.654 -6.481 1.00 0.00 C ATOM 810 CD2 LEU A 58 -6.444 3.376 -8.658 1.00 0.00 C ATOM 0 H LEU A 58 -9.445 4.227 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.461 4.116 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.015 1.788 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.665 2.817 -9.590 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.901 4.451 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.581 3.083 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.322 2.730 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.243 1.605 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.599 3.796 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.222 2.345 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.621 3.962 -9.560 1.00 0.00 H new ATOM 822 N PRO A 59 -11.602 1.659 -8.954 1.00 0.00 N ATOM 823 CA PRO A 59 -10.883 1.582 -10.233 1.00 0.00 C ATOM 824 C PRO A 59 -11.045 2.850 -11.066 1.00 0.00 C ATOM 825 O PRO A 59 -12.068 3.528 -10.990 1.00 0.00 O ATOM 826 CB PRO A 59 -11.534 0.391 -10.948 1.00 0.00 C ATOM 827 CG PRO A 59 -12.220 -0.383 -9.875 1.00 0.00 C ATOM 828 CD PRO A 59 -12.642 0.625 -8.847 1.00 0.00 C ATOM 0 HA PRO A 59 -9.809 1.469 -10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.242 0.726 -11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.787 -0.219 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.081 -0.921 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.551 -1.127 -9.441 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.633 1.026 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.679 0.191 -7.848 1.00 0.00 H new ATOM 836 N PHE A 60 -10.028 3.159 -11.863 1.00 0.00 N ATOM 837 CA PHE A 60 -10.057 4.344 -12.715 1.00 0.00 C ATOM 838 C PHE A 60 -9.495 4.029 -14.098 1.00 0.00 C ATOM 839 O PHE A 60 -8.369 3.552 -14.226 1.00 0.00 O ATOM 840 CB PHE A 60 -9.260 5.480 -12.072 1.00 0.00 C ATOM 841 CG PHE A 60 -7.786 5.416 -12.353 1.00 0.00 C ATOM 842 CD1 PHE A 60 -7.286 5.797 -13.588 1.00 0.00 C ATOM 843 CD2 PHE A 60 -6.901 4.977 -11.382 1.00 0.00 C ATOM 844 CE1 PHE A 60 -5.930 5.740 -13.849 1.00 0.00 C ATOM 845 CE2 PHE A 60 -5.544 4.918 -11.638 1.00 0.00 C ATOM 846 CZ PHE A 60 -5.058 5.300 -12.872 1.00 0.00 C ATOM 0 H PHE A 60 -9.174 2.607 -11.937 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.095 4.658 -12.826 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.648 6.433 -12.431 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.417 5.457 -10.994 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.963 6.142 -14.355 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.275 4.678 -10.414 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.552 6.039 -14.816 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.864 4.573 -10.873 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.998 5.255 -13.073 1.00 0.00 H new ATOM 856 N THR A 61 -10.288 4.298 -15.129 1.00 0.00 N ATOM 857 CA THR A 61 -9.874 4.043 -16.499 1.00 0.00 C ATOM 858 C THR A 61 -9.223 5.275 -17.118 1.00 0.00 C ATOM 859 O THR A 61 -9.566 6.407 -16.779 1.00 0.00 O ATOM 860 CB THR A 61 -11.069 3.617 -17.368 1.00 0.00 C ATOM 861 OG1 THR A 61 -12.222 4.400 -17.034 1.00 0.00 O ATOM 862 CG2 THR A 61 -11.382 2.141 -17.177 1.00 0.00 C ATOM 0 H THR A 61 -11.224 4.694 -15.039 1.00 0.00 H new ATOM 0 HA THR A 61 -9.146 3.233 -16.466 1.00 0.00 H new ATOM 0 HB THR A 61 -10.805 3.783 -18.412 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.978 4.124 -17.593 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.231 1.865 -17.803 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.514 1.545 -17.460 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.626 1.953 -16.131 1.00 0.00 H new ATOM 870 N TYR A 62 -8.284 5.046 -18.032 1.00 0.00 N ATOM 871 CA TYR A 62 -7.586 6.137 -18.703 1.00 0.00 C ATOM 872 C TYR A 62 -6.936 5.653 -19.996 1.00 0.00 C ATOM 873 O TYR A 62 -6.190 4.673 -20.000 1.00 0.00 O ATOM 874 CB TYR A 62 -6.529 6.746 -17.776 1.00 0.00 C ATOM 875 CG TYR A 62 -5.428 7.481 -18.507 1.00 0.00 C ATOM 876 CD1 TYR A 62 -5.575 8.816 -18.861 1.00 0.00 C ATOM 877 CD2 TYR A 62 -4.243 6.839 -18.845 1.00 0.00 C ATOM 878 CE1 TYR A 62 -4.573 9.491 -19.529 1.00 0.00 C ATOM 879 CE2 TYR A 62 -3.235 7.508 -19.512 1.00 0.00 C ATOM 880 CZ TYR A 62 -3.404 8.834 -19.853 1.00 0.00 C ATOM 881 OH TYR A 62 -2.404 9.504 -20.518 1.00 0.00 O ATOM 0 H TYR A 62 -7.989 4.114 -18.325 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.319 6.904 -18.953 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.017 7.435 -17.086 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.086 5.952 -17.174 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.488 9.335 -18.610 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.108 5.800 -18.582 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.704 10.529 -19.797 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.319 6.995 -19.765 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.540 9.298 -20.104 1.00 0.00 H new ATOM 891 N ASN A 63 -7.233 6.343 -21.094 1.00 0.00 N ATOM 892 CA ASN A 63 -6.683 5.994 -22.403 1.00 0.00 C ATOM 893 C ASN A 63 -7.397 4.784 -23.013 1.00 0.00 C ATOM 894 O ASN A 63 -7.237 4.498 -24.200 1.00 0.00 O ATOM 895 CB ASN A 63 -5.170 5.737 -22.289 1.00 0.00 C ATOM 896 CG ASN A 63 -4.796 4.264 -22.264 1.00 0.00 C ATOM 897 OD1 ASN A 63 -5.582 3.414 -21.848 1.00 0.00 O ATOM 898 ND2 ASN A 63 -3.584 3.955 -22.713 1.00 0.00 N ATOM 0 H ASN A 63 -7.855 7.152 -21.104 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.848 6.837 -23.073 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.666 6.216 -23.128 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.798 6.212 -21.381 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.276 2.983 -22.721 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.962 4.690 -23.050 1.00 0.00 H new ATOM 905 N GLY A 64 -8.173 4.075 -22.200 1.00 0.00 N ATOM 906 CA GLY A 64 -8.881 2.909 -22.682 1.00 0.00 C ATOM 907 C GLY A 64 -8.663 1.707 -21.787 1.00 0.00 C ATOM 908 O GLY A 64 -9.220 0.636 -22.024 1.00 0.00 O ATOM 0 H GLY A 64 -8.323 4.290 -21.214 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.947 3.130 -22.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.548 2.674 -23.693 1.00 0.00 H new ATOM 912 N ARG A 65 -7.844 1.889 -20.753 1.00 0.00 N ATOM 913 CA ARG A 65 -7.550 0.812 -19.816 1.00 0.00 C ATOM 914 C ARG A 65 -8.060 1.164 -18.418 1.00 0.00 C ATOM 915 O ARG A 65 -8.024 2.325 -18.009 1.00 0.00 O ATOM 916 CB ARG A 65 -6.036 0.532 -19.804 1.00 0.00 C ATOM 917 CG ARG A 65 -5.377 0.631 -18.436 1.00 0.00 C ATOM 918 CD ARG A 65 -5.564 -0.645 -17.630 1.00 0.00 C ATOM 919 NE ARG A 65 -5.444 -1.839 -18.460 1.00 0.00 N ATOM 920 CZ ARG A 65 -6.034 -2.996 -18.176 1.00 0.00 C ATOM 921 NH1 ARG A 65 -6.782 -3.111 -17.086 1.00 0.00 N ATOM 922 NH2 ARG A 65 -5.878 -4.038 -18.980 1.00 0.00 N ATOM 0 H ARG A 65 -7.374 2.770 -20.545 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.065 -0.093 -20.137 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.863 -0.467 -20.203 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.546 1.234 -20.479 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.313 0.832 -18.558 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.800 1.473 -17.888 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.822 -0.682 -16.832 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.544 -0.632 -17.153 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.876 -1.783 -19.305 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.905 -2.311 -16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.234 -3.999 -16.869 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.304 -3.953 -19.819 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.332 -4.925 -18.760 1.00 0.00 H new ATOM 936 N THR A 66 -8.531 0.157 -17.692 1.00 0.00 N ATOM 937 CA THR A 66 -9.045 0.364 -16.343 1.00 0.00 C ATOM 938 C THR A 66 -7.964 0.104 -15.298 1.00 0.00 C ATOM 939 O THR A 66 -7.652 -1.045 -14.987 1.00 0.00 O ATOM 940 CB THR A 66 -10.252 -0.547 -16.054 1.00 0.00 C ATOM 941 OG1 THR A 66 -11.215 -0.434 -17.108 1.00 0.00 O ATOM 942 CG2 THR A 66 -10.901 -0.180 -14.726 1.00 0.00 C ATOM 0 H THR A 66 -8.568 -0.810 -18.014 1.00 0.00 H new ATOM 0 HA THR A 66 -9.364 1.405 -16.283 1.00 0.00 H new ATOM 0 HB THR A 66 -9.897 -1.576 -15.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.979 -1.018 -16.917 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.751 -0.837 -14.543 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.174 -0.295 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.243 0.854 -14.762 1.00 0.00 H new ATOM 950 N PHE A 67 -7.397 1.179 -14.761 1.00 0.00 N ATOM 951 CA PHE A 67 -6.350 1.067 -13.751 1.00 0.00 C ATOM 952 C PHE A 67 -6.949 0.997 -12.351 1.00 0.00 C ATOM 953 O PHE A 67 -7.985 1.605 -12.077 1.00 0.00 O ATOM 954 CB PHE A 67 -5.389 2.253 -13.848 1.00 0.00 C ATOM 955 CG PHE A 67 -5.016 2.609 -15.260 1.00 0.00 C ATOM 956 CD1 PHE A 67 -5.875 3.358 -16.048 1.00 0.00 C ATOM 957 CD2 PHE A 67 -3.808 2.194 -15.798 1.00 0.00 C ATOM 958 CE1 PHE A 67 -5.536 3.687 -17.346 1.00 0.00 C ATOM 959 CE2 PHE A 67 -3.465 2.519 -17.096 1.00 0.00 C ATOM 960 CZ PHE A 67 -4.329 3.266 -17.871 1.00 0.00 C ATOM 0 H PHE A 67 -7.644 2.137 -15.008 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.799 0.145 -13.937 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.846 3.120 -13.372 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.483 2.023 -13.288 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.820 3.688 -15.643 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.128 1.610 -15.196 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.213 4.273 -17.950 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.521 2.189 -17.504 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.062 3.521 -18.886 1.00 0.00 H new ATOM 970 N TYR A 68 -6.291 0.253 -11.467 1.00 0.00 N ATOM 971 CA TYR A 68 -6.759 0.104 -10.094 1.00 0.00 C ATOM 972 C TYR A 68 -5.749 0.684 -9.109 1.00 0.00 C ATOM 973 O TYR A 68 -6.049 0.864 -7.929 1.00 0.00 O ATOM 974 CB TYR A 68 -7.011 -1.370 -9.775 1.00 0.00 C ATOM 975 CG TYR A 68 -8.246 -1.933 -10.441 1.00 0.00 C ATOM 976 CD1 TYR A 68 -8.413 -1.853 -11.818 1.00 0.00 C ATOM 977 CD2 TYR A 68 -9.245 -2.543 -9.693 1.00 0.00 C ATOM 978 CE1 TYR A 68 -9.541 -2.366 -12.431 1.00 0.00 C ATOM 979 CE2 TYR A 68 -10.375 -3.058 -10.299 1.00 0.00 C ATOM 980 CZ TYR A 68 -10.518 -2.967 -11.667 1.00 0.00 C ATOM 981 OH TYR A 68 -11.643 -3.479 -12.274 1.00 0.00 O ATOM 0 H TYR A 68 -5.432 -0.256 -11.677 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.694 0.655 -9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.144 -1.953 -10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.105 -1.488 -8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.649 -1.382 -12.419 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.137 -2.616 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.656 -2.296 -13.503 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.143 -3.530 -9.704 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.232 -3.869 -11.595 1.00 0.00 H new ATOM 991 N SER A 69 -4.548 0.973 -9.603 1.00 0.00 N ATOM 992 CA SER A 69 -3.493 1.533 -8.766 1.00 0.00 C ATOM 993 C SER A 69 -2.616 2.491 -9.567 1.00 0.00 C ATOM 994 O SER A 69 -2.700 2.546 -10.795 1.00 0.00 O ATOM 995 CB SER A 69 -2.636 0.414 -8.173 1.00 0.00 C ATOM 996 OG SER A 69 -2.159 0.763 -6.885 1.00 0.00 O ATOM 0 H SER A 69 -4.282 0.829 -10.577 1.00 0.00 H new ATOM 0 HA SER A 69 -3.963 2.090 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.222 -0.503 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.793 0.209 -8.833 1.00 0.00 H new ATOM 0 HG SER A 69 -1.615 0.030 -6.528 1.00 0.00 H new ATOM 1002 N CYS A 70 -1.774 3.243 -8.866 1.00 0.00 N ATOM 1003 CA CYS A 70 -0.882 4.198 -9.514 1.00 0.00 C ATOM 1004 C CYS A 70 -0.377 3.652 -10.845 1.00 0.00 C ATOM 1005 O CYS A 70 -0.190 2.446 -11.003 1.00 0.00 O ATOM 1006 CB CYS A 70 0.301 4.524 -8.601 1.00 0.00 C ATOM 1007 SG CYS A 70 -0.156 5.418 -7.080 1.00 0.00 S ATOM 0 H CYS A 70 -1.690 3.210 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.445 5.111 -9.706 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.801 3.595 -8.327 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.022 5.122 -9.158 1.00 0.00 H new ATOM 1012 N THR A 71 -0.157 4.549 -11.801 1.00 0.00 N ATOM 1013 CA THR A 71 0.328 4.158 -13.120 1.00 0.00 C ATOM 1014 C THR A 71 1.164 5.266 -13.748 1.00 0.00 C ATOM 1015 O THR A 71 1.062 6.431 -13.360 1.00 0.00 O ATOM 1016 CB THR A 71 -0.836 3.810 -14.066 1.00 0.00 C ATOM 1017 OG1 THR A 71 -0.326 3.400 -15.340 1.00 0.00 O ATOM 1018 CG2 THR A 71 -1.762 5.004 -14.247 1.00 0.00 C ATOM 0 H THR A 71 -0.307 5.551 -11.687 1.00 0.00 H new ATOM 0 HA THR A 71 0.949 3.273 -12.979 1.00 0.00 H new ATOM 0 HB THR A 71 -1.404 2.993 -13.621 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.070 3.132 -15.919 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.576 4.734 -14.919 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.171 5.297 -13.280 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.202 5.837 -14.671 1.00 0.00 H new ATOM 1026 N THR A 72 1.992 4.898 -14.721 1.00 0.00 N ATOM 1027 CA THR A 72 2.845 5.863 -15.403 1.00 0.00 C ATOM 1028 C THR A 72 2.304 6.190 -16.791 1.00 0.00 C ATOM 1029 O THR A 72 2.987 6.813 -17.603 1.00 0.00 O ATOM 1030 CB THR A 72 4.287 5.340 -15.538 1.00 0.00 C ATOM 1031 OG1 THR A 72 4.383 4.444 -16.652 1.00 0.00 O ATOM 1032 CG2 THR A 72 4.725 4.626 -14.268 1.00 0.00 C ATOM 0 H THR A 72 2.090 3.939 -15.054 1.00 0.00 H new ATOM 0 HA THR A 72 2.849 6.767 -14.795 1.00 0.00 H new ATOM 0 HB THR A 72 4.945 6.194 -15.702 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.304 4.118 -16.731 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.747 4.265 -14.387 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.680 5.318 -13.427 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.062 3.782 -14.078 1.00 0.00 H new ATOM 1040 N GLU A 73 1.073 5.765 -17.056 1.00 0.00 N ATOM 1041 CA GLU A 73 0.440 6.013 -18.345 1.00 0.00 C ATOM 1042 C GLU A 73 0.121 7.494 -18.519 1.00 0.00 C ATOM 1043 O GLU A 73 -1.008 7.928 -18.290 1.00 0.00 O ATOM 1044 CB GLU A 73 -0.840 5.185 -18.476 1.00 0.00 C ATOM 1045 CG GLU A 73 -0.928 4.401 -19.775 1.00 0.00 C ATOM 1046 CD GLU A 73 -0.982 5.298 -20.996 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -0.605 6.484 -20.878 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -1.401 4.817 -22.069 1.00 0.00 O ATOM 0 H GLU A 73 0.494 5.247 -16.395 1.00 0.00 H new ATOM 0 HA GLU A 73 1.138 5.716 -19.127 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.901 4.491 -17.638 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.701 5.849 -18.403 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.066 3.738 -19.854 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.816 3.769 -19.754 1.00 0.00 H new ATOM 1055 N GLY A 74 1.124 8.266 -18.925 1.00 0.00 N ATOM 1056 CA GLY A 74 0.931 9.690 -19.122 1.00 0.00 C ATOM 1057 C GLY A 74 2.037 10.517 -18.499 1.00 0.00 C ATOM 1058 O GLY A 74 2.469 11.519 -19.069 1.00 0.00 O ATOM 0 H GLY A 74 2.067 7.930 -19.121 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.881 9.902 -20.190 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.026 9.987 -18.693 1.00 0.00 H new ATOM 1062 N ARG A 75 2.496 10.098 -17.324 1.00 0.00 N ATOM 1063 CA ARG A 75 3.560 10.808 -16.621 1.00 0.00 C ATOM 1064 C ARG A 75 4.920 10.497 -17.237 1.00 0.00 C ATOM 1065 O ARG A 75 5.405 9.369 -17.159 1.00 0.00 O ATOM 1066 CB ARG A 75 3.559 10.431 -15.139 1.00 0.00 C ATOM 1067 CG ARG A 75 2.327 10.910 -14.389 1.00 0.00 C ATOM 1068 CD ARG A 75 2.584 12.229 -13.680 1.00 0.00 C ATOM 1069 NE ARG A 75 3.342 13.160 -14.512 1.00 0.00 N ATOM 1070 CZ ARG A 75 2.785 13.977 -15.399 1.00 0.00 C ATOM 1071 NH1 ARG A 75 1.469 13.978 -15.567 1.00 0.00 N ATOM 1072 NH2 ARG A 75 3.542 14.795 -16.118 1.00 0.00 N ATOM 0 H ARG A 75 2.148 9.271 -16.838 1.00 0.00 H new ATOM 0 HA ARG A 75 3.375 11.878 -16.716 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.630 9.347 -15.049 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.447 10.849 -14.666 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.498 11.026 -15.087 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.027 10.157 -13.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.632 12.683 -13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.130 12.043 -12.755 1.00 0.00 H new ATOM 0 HE ARG A 75 4.356 13.184 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.884 13.351 -15.015 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.042 14.606 -16.248 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.554 14.798 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.112 15.421 -16.799 1.00 0.00 H new ATOM 1086 N GLN A 76 5.531 11.506 -17.850 1.00 0.00 N ATOM 1087 CA GLN A 76 6.835 11.340 -18.479 1.00 0.00 C ATOM 1088 C GLN A 76 7.956 11.742 -17.525 1.00 0.00 C ATOM 1089 O GLN A 76 9.067 12.054 -17.952 1.00 0.00 O ATOM 1090 CB GLN A 76 6.918 12.174 -19.759 1.00 0.00 C ATOM 1091 CG GLN A 76 6.130 11.588 -20.919 1.00 0.00 C ATOM 1092 CD GLN A 76 6.732 11.933 -22.267 1.00 0.00 C ATOM 1093 OE1 GLN A 76 7.920 11.714 -22.503 1.00 0.00 O ATOM 1094 NE2 GLN A 76 5.913 12.477 -23.159 1.00 0.00 N ATOM 0 H GLN A 76 5.143 12.447 -17.924 1.00 0.00 H new ATOM 0 HA GLN A 76 6.956 10.286 -18.731 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.551 13.179 -19.552 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.963 12.271 -20.053 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.085 10.504 -20.812 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.104 11.955 -20.879 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.935 12.641 -22.920 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.262 12.731 -24.083 1.00 0.00 H new ATOM 1103 N ASP A 77 7.654 11.731 -16.230 1.00 0.00 N ATOM 1104 CA ASP A 77 8.635 12.094 -15.214 1.00 0.00 C ATOM 1105 C ASP A 77 8.752 11.003 -14.155 1.00 0.00 C ATOM 1106 O ASP A 77 9.232 11.247 -13.048 1.00 0.00 O ATOM 1107 CB ASP A 77 8.253 13.422 -14.557 1.00 0.00 C ATOM 1108 CG ASP A 77 6.761 13.685 -14.611 1.00 0.00 C ATOM 1109 OD1 ASP A 77 5.982 12.720 -14.464 1.00 0.00 O ATOM 1110 OD2 ASP A 77 6.371 14.856 -14.800 1.00 0.00 O ATOM 0 H ASP A 77 6.739 11.475 -15.860 1.00 0.00 H new ATOM 0 HA ASP A 77 9.603 12.204 -15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.581 13.418 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.781 14.236 -15.055 1.00 0.00 H new ATOM 1115 N GLY A 78 8.307 9.800 -14.501 1.00 0.00 N ATOM 1116 CA GLY A 78 8.370 8.689 -13.569 1.00 0.00 C ATOM 1117 C GLY A 78 7.289 8.760 -12.509 1.00 0.00 C ATOM 1118 O GLY A 78 6.543 7.803 -12.309 1.00 0.00 O ATOM 0 H GLY A 78 7.904 9.574 -15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.275 7.752 -14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.347 8.678 -13.087 1.00 0.00 H new ATOM 1122 N HIS A 79 7.205 9.898 -11.828 1.00 0.00 N ATOM 1123 CA HIS A 79 6.207 10.092 -10.782 1.00 0.00 C ATOM 1124 C HIS A 79 4.835 9.611 -11.244 1.00 0.00 C ATOM 1125 O HIS A 79 4.075 10.366 -11.852 1.00 0.00 O ATOM 1126 CB HIS A 79 6.136 11.566 -10.382 1.00 0.00 C ATOM 1127 CG HIS A 79 7.428 12.104 -9.849 1.00 0.00 C ATOM 1128 ND1 HIS A 79 7.763 13.441 -9.896 1.00 0.00 N ATOM 1129 CD2 HIS A 79 8.471 11.478 -9.255 1.00 0.00 C ATOM 1130 CE1 HIS A 79 8.956 13.614 -9.355 1.00 0.00 C ATOM 1131 NE2 HIS A 79 9.407 12.439 -8.958 1.00 0.00 N ATOM 0 H HIS A 79 7.816 10.700 -11.982 1.00 0.00 H new ATOM 0 HA HIS A 79 6.506 9.503 -9.915 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.836 12.155 -11.249 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.360 11.692 -9.627 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.552 10.420 -9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.474 14.556 -9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.305 12.271 -8.504 1.00 0.00 H new ATOM 1140 N LEU A 80 4.524 8.353 -10.953 1.00 0.00 N ATOM 1141 CA LEU A 80 3.243 7.773 -11.338 1.00 0.00 C ATOM 1142 C LEU A 80 2.091 8.693 -10.953 1.00 0.00 C ATOM 1143 O LEU A 80 2.305 9.790 -10.438 1.00 0.00 O ATOM 1144 CB LEU A 80 3.059 6.404 -10.678 1.00 0.00 C ATOM 1145 CG LEU A 80 3.975 5.301 -11.213 1.00 0.00 C ATOM 1146 CD1 LEU A 80 5.144 5.075 -10.266 1.00 0.00 C ATOM 1147 CD2 LEU A 80 3.193 4.012 -11.417 1.00 0.00 C ATOM 0 H LEU A 80 5.142 7.715 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 80 3.240 7.650 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.228 6.508 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.023 6.091 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 80 4.371 5.618 -12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.786 4.287 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.718 5.997 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.767 4.779 -9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.860 3.238 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.769 3.690 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.390 4.183 -12.133 1.00 0.00 H new ATOM 1159 N TRP A 81 0.868 8.239 -11.205 1.00 0.00 N ATOM 1160 CA TRP A 81 -0.320 9.021 -10.884 1.00 0.00 C ATOM 1161 C TRP A 81 -1.523 8.111 -10.653 1.00 0.00 C ATOM 1162 O TRP A 81 -1.445 6.900 -10.857 1.00 0.00 O ATOM 1163 CB TRP A 81 -0.622 10.013 -12.007 1.00 0.00 C ATOM 1164 CG TRP A 81 -0.880 9.357 -13.329 1.00 0.00 C ATOM 1165 CD1 TRP A 81 0.020 8.667 -14.091 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -2.118 9.328 -14.046 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -0.584 8.213 -15.238 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -1.897 8.606 -15.233 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -3.394 9.844 -13.799 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -2.904 8.387 -16.170 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -4.392 9.626 -14.730 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -4.142 8.902 -15.902 1.00 0.00 C ATOM 0 H TRP A 81 0.674 7.333 -11.631 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.124 9.574 -9.965 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -1.491 10.610 -11.730 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.217 10.701 -12.109 1.00 0.00 H new ATOM 0 HD1 TRP A 81 1.055 8.503 -13.830 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.130 7.672 -15.973 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -3.596 10.403 -12.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -2.714 7.830 -17.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -5.381 10.021 -14.550 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -4.944 8.747 -16.609 1.00 0.00 H new ATOM 1183 N CYS A 82 -2.633 8.702 -10.224 1.00 0.00 N ATOM 1184 CA CYS A 82 -3.850 7.942 -9.964 1.00 0.00 C ATOM 1185 C CYS A 82 -5.083 8.834 -10.057 1.00 0.00 C ATOM 1186 O CYS A 82 -5.076 9.970 -9.582 1.00 0.00 O ATOM 1187 CB CYS A 82 -3.783 7.292 -8.580 1.00 0.00 C ATOM 1188 SG CYS A 82 -3.587 8.480 -7.212 1.00 0.00 S ATOM 0 H CYS A 82 -2.715 9.704 -10.049 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.930 7.164 -10.723 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.692 6.713 -8.417 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.950 6.589 -8.560 1.00 0.00 H new ATOM 1193 N SER A 83 -6.142 8.312 -10.667 1.00 0.00 N ATOM 1194 CA SER A 83 -7.384 9.061 -10.816 1.00 0.00 C ATOM 1195 C SER A 83 -7.973 9.399 -9.450 1.00 0.00 C ATOM 1196 O SER A 83 -8.262 8.508 -8.652 1.00 0.00 O ATOM 1197 CB SER A 83 -8.394 8.258 -11.636 1.00 0.00 C ATOM 1198 OG SER A 83 -9.394 9.101 -12.183 1.00 0.00 O ATOM 0 H SER A 83 -6.165 7.374 -11.066 1.00 0.00 H new ATOM 0 HA SER A 83 -7.162 9.990 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.878 7.732 -12.439 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.858 7.500 -11.005 1.00 0.00 H new ATOM 0 HG SER A 83 -9.319 9.106 -13.160 1.00 0.00 H new ATOM 1204 N THR A 84 -8.142 10.689 -9.186 1.00 0.00 N ATOM 1205 CA THR A 84 -8.691 11.139 -7.914 1.00 0.00 C ATOM 1206 C THR A 84 -10.205 11.292 -7.982 1.00 0.00 C ATOM 1207 O THR A 84 -10.785 12.128 -7.290 1.00 0.00 O ATOM 1208 CB THR A 84 -8.070 12.476 -7.475 1.00 0.00 C ATOM 1209 OG1 THR A 84 -7.689 13.243 -8.623 1.00 0.00 O ATOM 1210 CG2 THR A 84 -6.856 12.236 -6.593 1.00 0.00 C ATOM 0 H THR A 84 -7.907 11.440 -9.835 1.00 0.00 H new ATOM 0 HA THR A 84 -8.443 10.372 -7.180 1.00 0.00 H new ATOM 0 HB THR A 84 -8.815 13.030 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.776 13.578 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.430 13.193 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.155 11.677 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.111 11.665 -7.147 1.00 0.00 H new ATOM 1218 N THR A 85 -10.842 10.474 -8.812 1.00 0.00 N ATOM 1219 CA THR A 85 -12.291 10.515 -8.959 1.00 0.00 C ATOM 1220 C THR A 85 -12.787 9.408 -9.883 1.00 0.00 C ATOM 1221 O THR A 85 -12.333 9.285 -11.020 1.00 0.00 O ATOM 1222 CB THR A 85 -12.764 11.875 -9.499 1.00 0.00 C ATOM 1223 OG1 THR A 85 -11.782 12.421 -10.388 1.00 0.00 O ATOM 1224 CG2 THR A 85 -13.014 12.843 -8.353 1.00 0.00 C ATOM 0 H THR A 85 -10.378 9.775 -9.393 1.00 0.00 H new ATOM 0 HA THR A 85 -12.711 10.364 -7.965 1.00 0.00 H new ATOM 0 HB THR A 85 -13.696 11.725 -10.044 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.156 13.201 -10.849 1.00 0.00 H new ATOM 0 HG21 THR A 85 -13.348 13.801 -8.752 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.782 12.437 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.092 12.986 -7.790 1.00 0.00 H new ATOM 1232 N SER A 86 -13.722 8.606 -9.383 1.00 0.00 N ATOM 1233 CA SER A 86 -14.283 7.507 -10.160 1.00 0.00 C ATOM 1234 C SER A 86 -14.401 7.887 -11.631 1.00 0.00 C ATOM 1235 O SER A 86 -13.734 7.308 -12.489 1.00 0.00 O ATOM 1236 CB SER A 86 -15.656 7.116 -9.610 1.00 0.00 C ATOM 1237 OG SER A 86 -16.404 6.390 -10.571 1.00 0.00 O ATOM 0 H SER A 86 -14.107 8.697 -8.443 1.00 0.00 H new ATOM 0 HA SER A 86 -13.610 6.654 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.532 6.513 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.204 8.013 -9.320 1.00 0.00 H new ATOM 0 HG SER A 86 -17.276 6.151 -10.194 1.00 0.00 H new ATOM 1243 N ASN A 87 -15.253 8.868 -11.917 1.00 0.00 N ATOM 1244 CA ASN A 87 -15.456 9.328 -13.285 1.00 0.00 C ATOM 1245 C ASN A 87 -14.274 10.173 -13.748 1.00 0.00 C ATOM 1246 O ASN A 87 -14.264 11.392 -13.575 1.00 0.00 O ATOM 1247 CB ASN A 87 -16.750 10.137 -13.387 1.00 0.00 C ATOM 1248 CG ASN A 87 -17.627 9.683 -14.537 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -17.179 8.958 -15.426 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -18.886 10.106 -14.524 1.00 0.00 N ATOM 0 H ASN A 87 -15.813 9.358 -11.219 1.00 0.00 H new ATOM 0 HA ASN A 87 -15.534 8.454 -13.932 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.305 10.048 -12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.507 11.192 -13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.524 9.831 -15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.215 10.706 -13.767 1.00 0.00 H new ATOM 1257 N TYR A 88 -13.277 9.515 -14.330 1.00 0.00 N ATOM 1258 CA TYR A 88 -12.085 10.203 -14.812 1.00 0.00 C ATOM 1259 C TYR A 88 -12.410 11.119 -15.985 1.00 0.00 C ATOM 1260 O TYR A 88 -12.007 12.279 -16.007 1.00 0.00 O ATOM 1261 CB TYR A 88 -11.018 9.186 -15.225 1.00 0.00 C ATOM 1262 CG TYR A 88 -9.743 9.818 -15.734 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -8.836 10.404 -14.858 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -9.444 9.828 -17.090 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -7.669 10.981 -15.320 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -8.279 10.402 -17.560 1.00 0.00 C ATOM 1267 CZ TYR A 88 -7.395 10.978 -16.672 1.00 0.00 C ATOM 1268 OH TYR A 88 -6.234 11.551 -17.137 1.00 0.00 O ATOM 0 H TYR A 88 -13.271 8.506 -14.479 1.00 0.00 H new ATOM 0 HA TYR A 88 -11.702 10.817 -13.997 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.783 8.552 -14.370 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.427 8.538 -16.000 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.047 10.408 -13.799 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.134 9.379 -17.789 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.975 11.432 -14.626 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.061 10.400 -18.618 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.779 10.926 -17.739 1.00 0.00 H new ATOM 1278 N GLU A 89 -13.139 10.599 -16.964 1.00 0.00 N ATOM 1279 CA GLU A 89 -13.505 11.387 -18.133 1.00 0.00 C ATOM 1280 C GLU A 89 -14.427 12.539 -17.747 1.00 0.00 C ATOM 1281 O GLU A 89 -14.586 13.499 -18.501 1.00 0.00 O ATOM 1282 CB GLU A 89 -14.179 10.501 -19.180 1.00 0.00 C ATOM 1283 CG GLU A 89 -13.197 9.760 -20.072 1.00 0.00 C ATOM 1284 CD GLU A 89 -13.676 9.658 -21.507 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -13.939 10.714 -22.122 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -13.787 8.523 -22.017 1.00 0.00 O ATOM 0 H GLU A 89 -13.487 9.640 -16.972 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.593 11.806 -18.558 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.816 9.776 -18.674 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.828 11.117 -19.802 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.234 10.271 -20.050 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.035 8.758 -19.675 1.00 0.00 H new ATOM 1293 N GLN A 90 -15.032 12.437 -16.568 1.00 0.00 N ATOM 1294 CA GLN A 90 -15.935 13.473 -16.082 1.00 0.00 C ATOM 1295 C GLN A 90 -15.155 14.612 -15.437 1.00 0.00 C ATOM 1296 O GLN A 90 -15.153 15.739 -15.935 1.00 0.00 O ATOM 1297 CB GLN A 90 -16.928 12.885 -15.078 1.00 0.00 C ATOM 1298 CG GLN A 90 -18.311 13.509 -15.152 1.00 0.00 C ATOM 1299 CD GLN A 90 -18.569 14.494 -14.029 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -17.728 14.685 -13.150 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -19.737 15.126 -14.051 1.00 0.00 N ATOM 0 H GLN A 90 -14.913 11.648 -15.932 1.00 0.00 H new ATOM 0 HA GLN A 90 -16.486 13.870 -16.935 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -17.013 11.812 -15.250 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.533 13.016 -14.070 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.425 14.018 -16.109 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -19.063 12.721 -15.118 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -20.405 14.937 -14.798 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.966 15.800 -13.320 1.00 0.00 H new ATOM 1310 N ASP A 91 -14.487 14.311 -14.327 1.00 0.00 N ATOM 1311 CA ASP A 91 -13.695 15.310 -13.617 1.00 0.00 C ATOM 1312 C ASP A 91 -12.253 15.300 -14.111 1.00 0.00 C ATOM 1313 O ASP A 91 -11.602 16.342 -14.188 1.00 0.00 O ATOM 1314 CB ASP A 91 -13.733 15.046 -12.111 1.00 0.00 C ATOM 1315 CG ASP A 91 -14.694 15.968 -11.387 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -14.851 17.127 -11.828 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -15.289 15.533 -10.379 1.00 0.00 O ATOM 0 H ASP A 91 -14.478 13.385 -13.900 1.00 0.00 H new ATOM 0 HA ASP A 91 -14.125 16.292 -13.815 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.024 14.011 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.732 15.171 -11.697 1.00 0.00 H new ATOM 1322 N GLN A 92 -11.764 14.113 -14.451 1.00 0.00 N ATOM 1323 CA GLN A 92 -10.401 13.953 -14.946 1.00 0.00 C ATOM 1324 C GLN A 92 -9.387 14.486 -13.941 1.00 0.00 C ATOM 1325 O GLN A 92 -8.454 15.202 -14.302 1.00 0.00 O ATOM 1326 CB GLN A 92 -10.242 14.662 -16.292 1.00 0.00 C ATOM 1327 CG GLN A 92 -8.841 14.560 -16.872 1.00 0.00 C ATOM 1328 CD GLN A 92 -8.781 13.664 -18.093 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -9.627 12.640 -18.117 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 -7.984 13.888 -19.005 1.00 0.00 N flip ATOM 0 H GLN A 92 -12.294 13.243 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.211 12.889 -15.083 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.952 14.238 -17.002 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.501 15.714 -16.172 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.489 15.556 -17.139 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.163 14.176 -16.110 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.352 14.686 -18.945 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.956 13.275 -19.820 1.00 0.00 H new ATOM 1339 N LYS A 93 -9.573 14.118 -12.678 1.00 0.00 N ATOM 1340 CA LYS A 93 -8.674 14.544 -11.614 1.00 0.00 C ATOM 1341 C LYS A 93 -7.770 13.391 -11.188 1.00 0.00 C ATOM 1342 O LYS A 93 -8.204 12.242 -11.126 1.00 0.00 O ATOM 1343 CB LYS A 93 -9.472 15.053 -10.412 1.00 0.00 C ATOM 1344 CG LYS A 93 -9.740 16.549 -10.449 1.00 0.00 C ATOM 1345 CD LYS A 93 -10.452 16.956 -11.729 1.00 0.00 C ATOM 1346 CE LYS A 93 -11.884 17.387 -11.458 1.00 0.00 C ATOM 1347 NZ LYS A 93 -11.958 18.788 -10.959 1.00 0.00 N ATOM 0 H LYS A 93 -10.341 13.524 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.054 15.356 -11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.423 14.523 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.929 14.812 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.346 16.833 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.798 17.091 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.909 17.773 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.449 16.121 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.470 17.296 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -12.332 16.716 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.951 19.043 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.421 18.870 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.554 19.431 -11.669 1.00 0.00 H new ATOM 1361 N TYR A 94 -6.511 13.703 -10.900 1.00 0.00 N ATOM 1362 CA TYR A 94 -5.552 12.685 -10.486 1.00 0.00 C ATOM 1363 C TYR A 94 -4.529 13.257 -9.512 1.00 0.00 C ATOM 1364 O TYR A 94 -4.672 14.382 -9.033 1.00 0.00 O ATOM 1365 CB TYR A 94 -4.838 12.103 -11.707 1.00 0.00 C ATOM 1366 CG TYR A 94 -4.113 13.140 -12.536 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -3.057 13.869 -12.001 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -4.483 13.390 -13.851 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -2.392 14.818 -12.754 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -3.822 14.336 -14.610 1.00 0.00 C ATOM 1371 CZ TYR A 94 -2.778 15.047 -14.058 1.00 0.00 C ATOM 1372 OH TYR A 94 -2.118 15.991 -14.811 1.00 0.00 O ATOM 0 H TYR A 94 -6.132 14.649 -10.945 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.102 11.892 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.123 11.351 -11.375 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.568 11.593 -12.336 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.751 13.691 -10.981 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.301 12.836 -14.287 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.574 15.377 -12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.122 14.518 -15.631 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.512 16.028 -15.707 1.00 0.00 H new ATOM 1382 N SER A 95 -3.495 12.473 -9.226 1.00 0.00 N ATOM 1383 CA SER A 95 -2.442 12.895 -8.310 1.00 0.00 C ATOM 1384 C SER A 95 -1.219 11.992 -8.442 1.00 0.00 C ATOM 1385 O SER A 95 -1.344 10.769 -8.516 1.00 0.00 O ATOM 1386 CB SER A 95 -2.952 12.878 -6.868 1.00 0.00 C ATOM 1387 OG SER A 95 -3.987 13.827 -6.681 1.00 0.00 O ATOM 0 H SER A 95 -3.364 11.540 -9.616 1.00 0.00 H new ATOM 0 HA SER A 95 -2.152 13.913 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.319 11.882 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.130 13.093 -6.186 1.00 0.00 H new ATOM 0 HG SER A 95 -4.066 14.386 -7.482 1.00 0.00 H new ATOM 1393 N PHE A 96 -0.039 12.601 -8.471 1.00 0.00 N ATOM 1394 CA PHE A 96 1.204 11.851 -8.596 1.00 0.00 C ATOM 1395 C PHE A 96 1.561 11.161 -7.282 1.00 0.00 C ATOM 1396 O PHE A 96 1.594 11.793 -6.226 1.00 0.00 O ATOM 1397 CB PHE A 96 2.342 12.780 -9.024 1.00 0.00 C ATOM 1398 CG PHE A 96 1.891 13.907 -9.907 1.00 0.00 C ATOM 1399 CD1 PHE A 96 1.086 13.660 -11.008 1.00 0.00 C ATOM 1400 CD2 PHE A 96 2.269 15.211 -9.637 1.00 0.00 C ATOM 1401 CE1 PHE A 96 0.666 14.694 -11.822 1.00 0.00 C ATOM 1402 CE2 PHE A 96 1.854 16.250 -10.449 1.00 0.00 C ATOM 1403 CZ PHE A 96 1.050 15.991 -11.541 1.00 0.00 C ATOM 0 H PHE A 96 0.082 13.612 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 96 1.062 11.085 -9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 96 2.818 13.193 -8.135 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.099 12.197 -9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 96 0.784 12.648 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.895 15.419 -8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 96 0.038 14.489 -12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.158 17.263 -10.229 1.00 0.00 H new ATOM 0 HZ PHE A 96 0.722 16.801 -12.175 1.00 0.00 H new ATOM 1413 N CYS A 97 1.826 9.861 -7.358 1.00 0.00 N ATOM 1414 CA CYS A 97 2.179 9.083 -6.175 1.00 0.00 C ATOM 1415 C CYS A 97 3.665 9.220 -5.857 1.00 0.00 C ATOM 1416 O CYS A 97 4.391 9.948 -6.535 1.00 0.00 O ATOM 1417 CB CYS A 97 1.825 7.609 -6.386 1.00 0.00 C ATOM 1418 SG CYS A 97 0.384 7.337 -7.466 1.00 0.00 S ATOM 0 H CYS A 97 1.803 9.324 -8.225 1.00 0.00 H new ATOM 0 HA CYS A 97 1.608 9.471 -5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.687 7.097 -6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.630 7.151 -5.416 1.00 0.00 H new ATOM 1423 N THR A 98 4.110 8.516 -4.822 1.00 0.00 N ATOM 1424 CA THR A 98 5.509 8.559 -4.412 1.00 0.00 C ATOM 1425 C THR A 98 6.184 7.211 -4.635 1.00 0.00 C ATOM 1426 O THR A 98 5.729 6.187 -4.125 1.00 0.00 O ATOM 1427 CB THR A 98 5.656 8.955 -2.932 1.00 0.00 C ATOM 1428 OG1 THR A 98 5.955 7.797 -2.141 1.00 0.00 O ATOM 1429 CG2 THR A 98 4.383 9.609 -2.416 1.00 0.00 C ATOM 0 H THR A 98 3.522 7.908 -4.251 1.00 0.00 H new ATOM 0 HA THR A 98 5.994 9.316 -5.028 1.00 0.00 H new ATOM 0 HB THR A 98 6.473 9.672 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.048 8.058 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.512 9.880 -1.368 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.172 10.506 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.551 8.911 -2.511 1.00 0.00 H new ATOM 1437 N ASP A 99 7.272 7.222 -5.397 1.00 0.00 N ATOM 1438 CA ASP A 99 8.015 6.002 -5.694 1.00 0.00 C ATOM 1439 C ASP A 99 7.079 4.805 -5.797 1.00 0.00 C ATOM 1440 O ASP A 99 7.395 3.710 -5.332 1.00 0.00 O ATOM 1441 CB ASP A 99 9.076 5.748 -4.621 1.00 0.00 C ATOM 1442 CG ASP A 99 10.161 6.807 -4.618 1.00 0.00 C ATOM 1443 OD1 ASP A 99 9.966 7.859 -5.262 1.00 0.00 O ATOM 1444 OD2 ASP A 99 11.208 6.583 -3.974 1.00 0.00 O ATOM 0 H ASP A 99 7.660 8.064 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 99 8.510 6.135 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.598 5.718 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.528 4.770 -4.785 1.00 0.00 H new ATOM 1449 N HIS A 100 5.926 5.028 -6.413 1.00 0.00 N ATOM 1450 CA HIS A 100 4.933 3.976 -6.587 1.00 0.00 C ATOM 1451 C HIS A 100 4.911 3.043 -5.380 1.00 0.00 C ATOM 1452 O HIS A 100 5.047 1.827 -5.520 1.00 0.00 O ATOM 1453 CB HIS A 100 5.222 3.176 -7.858 1.00 0.00 C ATOM 1454 CG HIS A 100 6.622 3.339 -8.363 1.00 0.00 C ATOM 1455 ND1 HIS A 100 7.357 4.453 -8.595 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 7.433 2.273 -8.693 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 8.584 4.043 -9.056 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 8.604 2.724 -9.105 1.00 0.00 N flip ATOM 0 H HIS A 100 5.654 5.931 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 100 3.955 4.448 -6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 100 5.036 2.120 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.525 3.484 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.154 1.232 -8.625 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.400 4.694 -9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.391 2.150 -9.409 1.00 0.00 H new ATOM 1467 N THR A 101 4.739 3.620 -4.196 1.00 0.00 N ATOM 1468 CA THR A 101 4.698 2.839 -2.965 1.00 0.00 C ATOM 1469 C THR A 101 3.797 1.619 -3.118 1.00 0.00 C ATOM 1470 O THR A 101 2.585 1.747 -3.289 1.00 0.00 O ATOM 1471 CB THR A 101 4.199 3.686 -1.779 1.00 0.00 C ATOM 1472 OG1 THR A 101 4.547 3.053 -0.542 1.00 0.00 O ATOM 1473 CG2 THR A 101 2.690 3.878 -1.848 1.00 0.00 C ATOM 0 H THR A 101 4.626 4.625 -4.062 1.00 0.00 H new ATOM 0 HA THR A 101 5.718 2.511 -2.764 1.00 0.00 H new ATOM 0 HB THR A 101 4.678 4.664 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.227 3.599 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.361 4.479 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.430 4.387 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.198 2.906 -1.817 1.00 0.00 H new ATOM 1481 N VAL A 102 4.398 0.436 -3.055 1.00 0.00 N ATOM 1482 CA VAL A 102 3.650 -0.809 -3.186 1.00 0.00 C ATOM 1483 C VAL A 102 3.546 -1.532 -1.848 1.00 0.00 C ATOM 1484 O VAL A 102 4.493 -1.545 -1.062 1.00 0.00 O ATOM 1485 CB VAL A 102 4.303 -1.751 -4.216 1.00 0.00 C ATOM 1486 CG1 VAL A 102 3.667 -3.130 -4.157 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.197 -1.167 -5.616 1.00 0.00 C ATOM 0 H VAL A 102 5.401 0.313 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 102 2.651 -0.542 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 102 5.360 -1.853 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.141 -3.781 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.800 -3.550 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.603 -3.049 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.664 -1.846 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.147 -1.033 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.705 -0.203 -5.647 1.00 0.00 H new ATOM 1497 N LEU A 103 2.387 -2.133 -1.594 1.00 0.00 N ATOM 1498 CA LEU A 103 2.159 -2.858 -0.350 1.00 0.00 C ATOM 1499 C LEU A 103 1.235 -4.051 -0.579 1.00 0.00 C ATOM 1500 O LEU A 103 0.089 -3.888 -0.998 1.00 0.00 O ATOM 1501 CB LEU A 103 1.558 -1.926 0.705 1.00 0.00 C ATOM 1502 CG LEU A 103 1.875 -0.442 0.511 1.00 0.00 C ATOM 1503 CD1 LEU A 103 0.849 0.207 -0.406 1.00 0.00 C ATOM 1504 CD2 LEU A 103 1.922 0.272 1.854 1.00 0.00 C ATOM 0 H LEU A 103 1.592 -2.132 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 103 3.119 -3.228 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.476 -2.054 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.917 -2.234 1.687 1.00 0.00 H new ATOM 0 HG LEU A 103 2.855 -0.356 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.090 1.262 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.864 -0.288 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.144 0.112 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.149 1.327 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.956 0.178 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.695 -0.177 2.478 1.00 0.00 H new ATOM 1516 N VAL A 104 1.739 -5.249 -0.299 1.00 0.00 N ATOM 1517 CA VAL A 104 0.953 -6.465 -0.474 1.00 0.00 C ATOM 1518 C VAL A 104 0.520 -7.031 0.874 1.00 0.00 C ATOM 1519 O VAL A 104 1.162 -6.784 1.891 1.00 0.00 O ATOM 1520 CB VAL A 104 1.735 -7.538 -1.274 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.676 -6.874 -2.267 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.495 -8.495 -0.363 1.00 0.00 C ATOM 0 H VAL A 104 2.685 -5.403 0.049 1.00 0.00 H new ATOM 0 HA VAL A 104 0.064 -6.196 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 104 1.006 -8.134 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.219 -7.639 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.100 -6.262 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.385 -6.243 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.027 -9.228 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.210 -7.934 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.792 -9.008 0.293 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.563 -7.797 0.877 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.063 -8.394 2.108 1.00 0.00 C ATOM 1534 C GLN A 105 -0.426 -9.760 2.343 1.00 0.00 C ATOM 1535 O GLN A 105 -1.045 -10.795 2.095 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.586 -8.528 2.054 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.295 -7.252 1.635 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.309 -7.482 0.533 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -4.925 -8.545 0.452 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -4.488 -6.484 -0.325 1.00 0.00 N ATOM 0 H GLN A 105 -1.110 -8.019 0.045 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.795 -7.739 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.848 -9.324 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.951 -8.831 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.797 -6.819 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.556 -6.525 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.956 -5.620 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.157 -6.582 -1.088 1.00 0.00 H new ATOM 1549 N THR A 106 0.816 -9.754 2.818 1.00 0.00 N ATOM 1550 CA THR A 106 1.539 -10.992 3.083 1.00 0.00 C ATOM 1551 C THR A 106 1.031 -11.668 4.351 1.00 0.00 C ATOM 1552 O THR A 106 0.330 -11.054 5.156 1.00 0.00 O ATOM 1553 CB THR A 106 3.053 -10.744 3.225 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.288 -9.494 3.883 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.735 -10.741 1.865 1.00 0.00 C ATOM 0 H THR A 106 1.342 -8.905 3.027 1.00 0.00 H new ATOM 0 HA THR A 106 1.362 -11.645 2.228 1.00 0.00 H new ATOM 0 HB THR A 106 3.473 -11.554 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.530 -9.285 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.803 -10.564 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.583 -11.705 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.308 -9.952 1.246 1.00 0.00 H new ATOM 1563 N ARG A 107 1.393 -12.935 4.524 1.00 0.00 N ATOM 1564 CA ARG A 107 0.977 -13.697 5.695 1.00 0.00 C ATOM 1565 C ARG A 107 1.852 -14.931 5.880 1.00 0.00 C ATOM 1566 O ARG A 107 2.390 -15.472 4.913 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.491 -14.112 5.565 1.00 0.00 C ATOM 1568 CG ARG A 107 -0.702 -15.326 4.674 1.00 0.00 C ATOM 1569 CD ARG A 107 -1.361 -16.466 5.434 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.727 -16.141 5.831 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.748 -16.087 4.981 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -3.554 -16.334 3.693 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.963 -15.784 5.418 1.00 0.00 N ATOM 0 H ARG A 107 1.974 -13.456 3.867 1.00 0.00 H new ATOM 0 HA ARG A 107 1.090 -13.059 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.889 -14.326 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.063 -13.274 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.322 -15.050 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.257 -15.658 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.368 -17.361 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.772 -16.699 6.321 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.909 -15.944 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.621 -16.566 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.338 -16.292 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.116 -15.592 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.745 -15.743 4.764 1.00 0.00 H new ATOM 1587 N GLY A 108 1.991 -15.372 7.125 1.00 0.00 N ATOM 1588 CA GLY A 108 2.803 -16.541 7.413 1.00 0.00 C ATOM 1589 C GLY A 108 4.167 -16.178 7.965 1.00 0.00 C ATOM 1590 O GLY A 108 4.565 -15.013 7.939 1.00 0.00 O ATOM 0 H GLY A 108 1.556 -14.941 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.281 -17.174 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.927 -17.127 6.502 1.00 0.00 H new ATOM 1594 N GLY A 109 4.886 -17.178 8.467 1.00 0.00 N ATOM 1595 CA GLY A 109 6.205 -16.938 9.020 1.00 0.00 C ATOM 1596 C GLY A 109 6.176 -15.980 10.194 1.00 0.00 C ATOM 1597 O GLY A 109 6.049 -16.400 11.344 1.00 0.00 O ATOM 0 H GLY A 109 4.578 -18.150 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.640 -17.885 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.854 -16.535 8.242 1.00 0.00 H new ATOM 1601 N ASN A 110 6.294 -14.688 9.904 1.00 0.00 N ATOM 1602 CA ASN A 110 6.282 -13.666 10.944 1.00 0.00 C ATOM 1603 C ASN A 110 5.643 -12.378 10.435 1.00 0.00 C ATOM 1604 O ASN A 110 5.788 -11.318 11.044 1.00 0.00 O ATOM 1605 CB ASN A 110 7.705 -13.386 11.431 1.00 0.00 C ATOM 1606 CG ASN A 110 8.711 -13.375 10.297 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.480 -12.520 9.308 1.00 0.00 O flip ATOM 1608 ND2 ASN A 110 9.686 -14.127 10.310 1.00 0.00 N flip ATOM 0 H ASN A 110 6.399 -14.324 8.957 1.00 0.00 H new ATOM 0 HA ASN A 110 5.688 -14.040 11.778 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.728 -12.424 11.943 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.992 -14.143 12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.825 -14.769 11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.355 -14.108 9.540 1.00 0.00 H new ATOM 1615 N SER A 111 4.935 -12.477 9.314 1.00 0.00 N ATOM 1616 CA SER A 111 4.274 -11.321 8.722 1.00 0.00 C ATOM 1617 C SER A 111 2.855 -11.173 9.260 1.00 0.00 C ATOM 1618 O SER A 111 2.358 -10.060 9.433 1.00 0.00 O ATOM 1619 CB SER A 111 4.244 -11.449 7.197 1.00 0.00 C ATOM 1620 OG SER A 111 3.322 -10.537 6.627 1.00 0.00 O ATOM 0 H SER A 111 4.805 -13.347 8.798 1.00 0.00 H new ATOM 0 HA SER A 111 4.841 -10.430 8.993 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.240 -11.264 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.972 -12.467 6.920 1.00 0.00 H new ATOM 0 HG SER A 111 3.632 -10.272 5.736 1.00 0.00 H new ATOM 1626 N ASN A 112 2.207 -12.302 9.525 1.00 0.00 N ATOM 1627 CA ASN A 112 0.845 -12.300 10.045 1.00 0.00 C ATOM 1628 C ASN A 112 0.033 -11.160 9.440 1.00 0.00 C ATOM 1629 O ASN A 112 -0.252 -10.166 10.106 1.00 0.00 O ATOM 1630 CB ASN A 112 0.859 -12.179 11.569 1.00 0.00 C ATOM 1631 CG ASN A 112 1.927 -13.044 12.208 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.763 -14.258 12.338 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.028 -12.423 12.615 1.00 0.00 N ATOM 0 H ASN A 112 2.604 -13.232 9.388 1.00 0.00 H new ATOM 0 HA ASN A 112 0.375 -13.243 9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.025 -11.138 11.846 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.117 -12.462 11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.780 -12.954 13.055 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.122 -11.415 12.487 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.339 -11.313 8.172 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.117 -10.288 7.499 1.00 0.00 C ATOM 1642 C GLY A 113 -0.461 -8.923 7.567 1.00 0.00 C ATOM 1643 O GLY A 113 -1.070 -7.958 8.031 1.00 0.00 O ATOM 0 H GLY A 113 -0.116 -12.127 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.256 -10.569 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.108 -10.234 7.950 1.00 0.00 H new ATOM 1647 N ALA A 114 0.782 -8.840 7.105 1.00 0.00 N ATOM 1648 CA ALA A 114 1.518 -7.581 7.117 1.00 0.00 C ATOM 1649 C ALA A 114 1.668 -7.019 5.710 1.00 0.00 C ATOM 1650 O ALA A 114 2.089 -7.721 4.792 1.00 0.00 O ATOM 1651 CB ALA A 114 2.883 -7.772 7.760 1.00 0.00 C ATOM 0 H ALA A 114 1.300 -9.629 6.718 1.00 0.00 H new ATOM 0 HA ALA A 114 0.949 -6.863 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.420 -6.824 7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.757 -8.119 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.452 -8.510 7.194 1.00 0.00 H new ATOM 1657 N LEU A 115 1.320 -5.748 5.548 1.00 0.00 N ATOM 1658 CA LEU A 115 1.420 -5.098 4.251 1.00 0.00 C ATOM 1659 C LEU A 115 2.858 -5.129 3.749 1.00 0.00 C ATOM 1660 O LEU A 115 3.631 -4.203 3.993 1.00 0.00 O ATOM 1661 CB LEU A 115 0.924 -3.656 4.330 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.220 -3.320 3.374 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.301 -1.818 3.147 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -0.042 -4.055 2.054 1.00 0.00 C ATOM 0 H LEU A 115 0.968 -5.151 6.296 1.00 0.00 H new ATOM 0 HA LEU A 115 0.790 -5.644 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.598 -3.454 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.760 -2.987 4.124 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.157 -3.648 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.121 -1.597 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.476 -1.315 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.636 -1.464 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.865 -3.805 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.901 -3.758 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.035 -5.130 2.234 1.00 0.00 H new ATOM 1676 N CYS A 116 3.211 -6.202 3.052 1.00 0.00 N ATOM 1677 CA CYS A 116 4.560 -6.353 2.520 1.00 0.00 C ATOM 1678 C CYS A 116 5.082 -5.024 1.989 1.00 0.00 C ATOM 1679 O CYS A 116 4.379 -4.313 1.270 1.00 0.00 O ATOM 1680 CB CYS A 116 4.582 -7.401 1.412 1.00 0.00 C ATOM 1681 SG CYS A 116 6.249 -7.893 0.870 1.00 0.00 S ATOM 0 H CYS A 116 2.584 -6.979 2.842 1.00 0.00 H new ATOM 0 HA CYS A 116 5.209 -6.683 3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.050 -8.287 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.034 -7.014 0.553 1.00 0.00 H new ATOM 1686 N HIS A 117 6.317 -4.696 2.350 1.00 0.00 N ATOM 1687 CA HIS A 117 6.937 -3.450 1.915 1.00 0.00 C ATOM 1688 C HIS A 117 7.684 -3.639 0.599 1.00 0.00 C ATOM 1689 O HIS A 117 8.630 -4.421 0.516 1.00 0.00 O ATOM 1690 CB HIS A 117 7.896 -2.934 2.989 1.00 0.00 C ATOM 1691 CG HIS A 117 8.854 -1.897 2.487 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.898 -1.996 1.632 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 8.796 -0.573 2.868 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 10.446 -0.742 1.512 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 9.763 0.098 2.267 1.00 0.00 N flip ATOM 0 H HIS A 117 6.910 -5.276 2.944 1.00 0.00 H new ATOM 0 HA HIS A 117 6.146 -2.717 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.316 -2.514 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.461 -3.774 3.394 1.00 0.00 H new ATOM 0 HD1 HIS A 117 10.218 -2.844 1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.074 -0.151 3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.297 -0.485 0.899 1.00 0.00 H new ATOM 1704 N PHE A 118 7.251 -2.912 -0.424 1.00 0.00 N ATOM 1705 CA PHE A 118 7.877 -2.991 -1.739 1.00 0.00 C ATOM 1706 C PHE A 118 8.398 -1.622 -2.169 1.00 0.00 C ATOM 1707 O PHE A 118 7.744 -0.603 -1.952 1.00 0.00 O ATOM 1708 CB PHE A 118 6.878 -3.510 -2.775 1.00 0.00 C ATOM 1709 CG PHE A 118 6.643 -4.993 -2.708 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.670 -5.517 -1.872 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.387 -5.863 -3.491 1.00 0.00 C ATOM 1712 CE1 PHE A 118 5.444 -6.880 -1.817 1.00 0.00 C ATOM 1713 CE2 PHE A 118 7.161 -7.226 -3.443 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.189 -7.733 -2.605 1.00 0.00 C ATOM 0 H PHE A 118 6.468 -2.260 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 118 8.716 -3.684 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.927 -2.995 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.238 -3.254 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.081 -4.853 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 118 8.152 -5.471 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.685 -7.276 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.744 -7.893 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.011 -8.798 -2.566 1.00 0.00 H new ATOM 1724 N PRO A 119 9.589 -1.584 -2.784 1.00 0.00 N ATOM 1725 CA PRO A 119 10.391 -2.777 -3.056 1.00 0.00 C ATOM 1726 C PRO A 119 11.021 -3.348 -1.790 1.00 0.00 C ATOM 1727 O PRO A 119 11.108 -2.668 -0.767 1.00 0.00 O ATOM 1728 CB PRO A 119 11.491 -2.285 -4.016 1.00 0.00 C ATOM 1729 CG PRO A 119 11.066 -0.904 -4.409 1.00 0.00 C ATOM 1730 CD PRO A 119 10.251 -0.376 -3.269 1.00 0.00 C ATOM 0 HA PRO A 119 9.780 -3.579 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.466 -2.275 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.576 -2.935 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.932 -0.269 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.481 -0.924 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.873 0.084 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.535 0.379 -3.594 1.00 0.00 H new ATOM 1738 N PHE A 120 11.465 -4.597 -1.868 1.00 0.00 N ATOM 1739 CA PHE A 120 12.095 -5.259 -0.733 1.00 0.00 C ATOM 1740 C PHE A 120 13.420 -5.887 -1.148 1.00 0.00 C ATOM 1741 O PHE A 120 13.571 -6.347 -2.280 1.00 0.00 O ATOM 1742 CB PHE A 120 11.167 -6.330 -0.156 1.00 0.00 C ATOM 1743 CG PHE A 120 11.060 -7.557 -1.012 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.159 -7.608 -2.063 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.860 -8.661 -0.765 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.057 -8.738 -2.852 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.763 -9.793 -1.551 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.862 -9.832 -2.596 1.00 0.00 C ATOM 0 H PHE A 120 11.400 -5.172 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 120 12.288 -4.510 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.527 -6.617 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.173 -5.903 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.529 -6.755 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.567 -8.636 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.349 -8.766 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.392 -10.647 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.786 -10.716 -3.212 1.00 0.00 H new ATOM 1758 N LEU A 121 14.381 -5.900 -0.231 1.00 0.00 N ATOM 1759 CA LEU A 121 15.692 -6.470 -0.515 1.00 0.00 C ATOM 1760 C LEU A 121 15.830 -7.863 0.089 1.00 0.00 C ATOM 1761 O LEU A 121 15.646 -8.054 1.290 1.00 0.00 O ATOM 1762 CB LEU A 121 16.800 -5.557 0.022 1.00 0.00 C ATOM 1763 CG LEU A 121 18.208 -5.808 -0.540 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.179 -6.771 -1.716 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.857 -4.499 -0.954 1.00 0.00 C ATOM 0 H LEU A 121 14.277 -5.524 0.711 1.00 0.00 H new ATOM 0 HA LEU A 121 15.791 -6.554 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.525 -4.523 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.838 -5.664 1.106 1.00 0.00 H new ATOM 0 HG LEU A 121 18.800 -6.265 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.193 -6.924 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.763 -7.726 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.561 -6.355 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.853 -4.696 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.250 -4.019 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.934 -3.841 -0.088 1.00 0.00 H new ATOM 1777 N TYR A 122 16.161 -8.831 -0.758 1.00 0.00 N ATOM 1778 CA TYR A 122 16.333 -10.210 -0.318 1.00 0.00 C ATOM 1779 C TYR A 122 17.784 -10.652 -0.478 1.00 0.00 C ATOM 1780 O TYR A 122 18.281 -10.789 -1.596 1.00 0.00 O ATOM 1781 CB TYR A 122 15.416 -11.142 -1.113 1.00 0.00 C ATOM 1782 CG TYR A 122 15.649 -12.608 -0.826 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.033 -13.035 0.439 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.484 -13.566 -1.819 1.00 0.00 C ATOM 1785 CE1 TYR A 122 16.248 -14.373 0.706 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.697 -14.906 -1.559 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.078 -15.304 -0.296 1.00 0.00 C ATOM 1788 OH TYR A 122 16.290 -16.638 -0.032 1.00 0.00 O ATOM 0 H TYR A 122 16.316 -8.685 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 122 16.066 -10.264 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.378 -10.896 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.562 -10.961 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.166 -12.308 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 122 15.184 -13.258 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.548 -14.688 1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.566 -15.638 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 122 16.836 -17.030 -0.745 1.00 0.00 H new ATOM 1798 N ASN A 123 18.459 -10.871 0.645 1.00 0.00 N ATOM 1799 CA ASN A 123 19.854 -11.294 0.627 1.00 0.00 C ATOM 1800 C ASN A 123 20.677 -10.411 -0.305 1.00 0.00 C ATOM 1801 O ASN A 123 21.379 -10.906 -1.186 1.00 0.00 O ATOM 1802 CB ASN A 123 19.960 -12.756 0.188 1.00 0.00 C ATOM 1803 CG ASN A 123 20.942 -13.544 1.031 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.089 -13.134 1.213 1.00 0.00 O ATOM 1805 ND2 ASN A 123 20.497 -14.683 1.551 1.00 0.00 N ATOM 0 H ASN A 123 18.063 -10.763 1.579 1.00 0.00 H new ATOM 0 HA ASN A 123 20.251 -11.196 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 123 18.977 -13.223 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.268 -12.797 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 123 21.114 -15.256 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 123 19.539 -14.984 1.374 1.00 0.00 H new ATOM 1812 N ASN A 124 20.580 -9.100 -0.107 1.00 0.00 N ATOM 1813 CA ASN A 124 21.314 -8.145 -0.931 1.00 0.00 C ATOM 1814 C ASN A 124 20.891 -8.256 -2.392 1.00 0.00 C ATOM 1815 O ASN A 124 21.616 -7.835 -3.294 1.00 0.00 O ATOM 1816 CB ASN A 124 22.824 -8.372 -0.808 1.00 0.00 C ATOM 1817 CG ASN A 124 23.188 -9.278 0.353 1.00 0.00 C ATOM 1818 OD1 ASN A 124 22.699 -9.103 1.469 1.00 0.00 O ATOM 1819 ND2 ASN A 124 24.050 -10.255 0.093 1.00 0.00 N ATOM 0 H ASN A 124 20.001 -8.675 0.617 1.00 0.00 H new ATOM 0 HA ASN A 124 21.079 -7.143 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.198 -8.808 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.323 -7.411 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 124 24.331 -10.897 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.430 -10.363 -0.847 1.00 0.00 H new ATOM 1826 N HIS A 125 19.709 -8.821 -2.616 1.00 0.00 N ATOM 1827 CA HIS A 125 19.181 -8.982 -3.965 1.00 0.00 C ATOM 1828 C HIS A 125 17.947 -8.110 -4.170 1.00 0.00 C ATOM 1829 O HIS A 125 16.817 -8.554 -3.958 1.00 0.00 O ATOM 1830 CB HIS A 125 18.832 -10.449 -4.228 1.00 0.00 C ATOM 1831 CG HIS A 125 19.054 -10.872 -5.647 1.00 0.00 C ATOM 1832 ND1 HIS A 125 18.834 -12.159 -6.092 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.478 -10.171 -6.725 1.00 0.00 C ATOM 1834 CE1 HIS A 125 19.113 -12.231 -7.382 1.00 0.00 C ATOM 1835 NE2 HIS A 125 19.505 -11.038 -7.790 1.00 0.00 N ATOM 0 H HIS A 125 19.099 -9.175 -1.880 1.00 0.00 H new ATOM 0 HA HIS A 125 19.950 -8.667 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.431 -11.080 -3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.787 -10.618 -3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 125 19.745 -9.125 -6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 125 19.034 -13.115 -7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 125 19.783 -10.799 -8.742 1.00 0.00 H new ATOM 1844 N ASN A 126 18.169 -6.864 -4.578 1.00 0.00 N ATOM 1845 CA ASN A 126 17.077 -5.925 -4.808 1.00 0.00 C ATOM 1846 C ASN A 126 15.858 -6.641 -5.384 1.00 0.00 C ATOM 1847 O ASN A 126 15.986 -7.492 -6.264 1.00 0.00 O ATOM 1848 CB ASN A 126 17.524 -4.813 -5.759 1.00 0.00 C ATOM 1849 CG ASN A 126 17.815 -3.514 -5.034 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.910 -2.724 -4.769 1.00 0.00 O ATOM 1851 ND2 ASN A 126 19.085 -3.292 -4.710 1.00 0.00 N ATOM 0 H ASN A 126 19.097 -6.481 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 126 16.801 -5.485 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.417 -5.134 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.748 -4.643 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.800 -3.978 -4.952 1.00 0.00 H new ATOM 1857 N TYR A 127 14.677 -6.292 -4.883 1.00 0.00 N ATOM 1858 CA TYR A 127 13.438 -6.905 -5.351 1.00 0.00 C ATOM 1859 C TYR A 127 12.268 -5.934 -5.236 1.00 0.00 C ATOM 1860 O TYR A 127 12.364 -4.907 -4.565 1.00 0.00 O ATOM 1861 CB TYR A 127 13.141 -8.176 -4.552 1.00 0.00 C ATOM 1862 CG TYR A 127 13.701 -9.433 -5.179 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.242 -9.882 -6.410 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.689 -10.170 -4.537 1.00 0.00 C ATOM 1865 CE1 TYR A 127 13.751 -11.031 -6.985 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.204 -11.319 -5.106 1.00 0.00 C ATOM 1867 CZ TYR A 127 14.732 -11.744 -6.330 1.00 0.00 C ATOM 1868 OH TYR A 127 15.242 -12.889 -6.900 1.00 0.00 O ATOM 0 H TYR A 127 14.552 -5.589 -4.154 1.00 0.00 H new ATOM 0 HA TYR A 127 13.567 -7.164 -6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.551 -8.068 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.062 -8.284 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.475 -9.324 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.060 -9.839 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.382 -11.368 -7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 127 15.972 -11.881 -4.595 1.00 0.00 H new ATOM 0 HH TYR A 127 15.926 -13.271 -6.311 1.00 0.00 H new ATOM 1878 N THR A 128 11.163 -6.266 -5.896 1.00 0.00 N ATOM 1879 CA THR A 128 9.972 -5.425 -5.868 1.00 0.00 C ATOM 1880 C THR A 128 8.736 -6.207 -6.297 1.00 0.00 C ATOM 1881 O THR A 128 7.812 -5.653 -6.891 1.00 0.00 O ATOM 1882 CB THR A 128 10.129 -4.194 -6.779 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.497 -3.771 -6.802 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.247 -3.049 -6.302 1.00 0.00 C ATOM 0 H THR A 128 11.068 -7.112 -6.457 1.00 0.00 H new ATOM 0 HA THR A 128 9.848 -5.090 -4.838 1.00 0.00 H new ATOM 0 HB THR A 128 9.819 -4.475 -7.786 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.588 -2.988 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.376 -2.191 -6.962 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.203 -3.364 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.529 -2.771 -5.286 1.00 0.00 H new ATOM 1892 N ASP A 129 8.728 -7.496 -5.984 1.00 0.00 N ATOM 1893 CA ASP A 129 7.609 -8.361 -6.328 1.00 0.00 C ATOM 1894 C ASP A 129 7.773 -9.726 -5.681 1.00 0.00 C ATOM 1895 O ASP A 129 8.873 -10.277 -5.649 1.00 0.00 O ATOM 1896 CB ASP A 129 7.487 -8.506 -7.846 1.00 0.00 C ATOM 1897 CG ASP A 129 8.835 -8.672 -8.521 1.00 0.00 C ATOM 1898 OD1 ASP A 129 9.352 -9.809 -8.542 1.00 0.00 O ATOM 1899 OD2 ASP A 129 9.373 -7.666 -9.026 1.00 0.00 O ATOM 0 H ASP A 129 9.487 -7.966 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 129 6.695 -7.904 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.860 -9.367 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.986 -7.628 -8.253 1.00 0.00 H new ATOM 1904 N CYS A 130 6.674 -10.256 -5.158 1.00 0.00 N ATOM 1905 CA CYS A 130 6.683 -11.555 -4.496 1.00 0.00 C ATOM 1906 C CYS A 130 7.696 -12.495 -5.140 1.00 0.00 C ATOM 1907 O CYS A 130 7.369 -13.236 -6.068 1.00 0.00 O ATOM 1908 CB CYS A 130 5.290 -12.185 -4.537 1.00 0.00 C ATOM 1909 SG CYS A 130 3.933 -11.019 -4.191 1.00 0.00 S ATOM 0 H CYS A 130 5.760 -9.803 -5.180 1.00 0.00 H new ATOM 0 HA CYS A 130 6.973 -11.397 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.132 -12.627 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.250 -12.998 -3.812 1.00 0.00 H new ATOM 1914 N THR A 131 8.928 -12.457 -4.643 1.00 0.00 N ATOM 1915 CA THR A 131 9.992 -13.302 -5.169 1.00 0.00 C ATOM 1916 C THR A 131 9.833 -14.746 -4.703 1.00 0.00 C ATOM 1917 O THR A 131 9.268 -15.008 -3.642 1.00 0.00 O ATOM 1918 CB THR A 131 11.379 -12.789 -4.743 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.398 -13.419 -5.528 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.628 -13.063 -3.267 1.00 0.00 C ATOM 0 H THR A 131 9.214 -11.849 -3.876 1.00 0.00 H new ATOM 0 HA THR A 131 9.915 -13.264 -6.256 1.00 0.00 H new ATOM 0 HB THR A 131 11.409 -11.712 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 131 12.904 -12.736 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.614 -12.692 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 131 10.869 -12.558 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.579 -14.136 -3.083 1.00 0.00 H new ATOM 1928 N SER A 132 10.336 -15.678 -5.505 1.00 0.00 N ATOM 1929 CA SER A 132 10.254 -17.096 -5.178 1.00 0.00 C ATOM 1930 C SER A 132 11.584 -17.791 -5.449 1.00 0.00 C ATOM 1931 O SER A 132 11.707 -18.575 -6.390 1.00 0.00 O ATOM 1932 CB SER A 132 9.141 -17.764 -5.989 1.00 0.00 C ATOM 1933 OG SER A 132 9.590 -18.104 -7.289 1.00 0.00 O ATOM 0 H SER A 132 10.806 -15.476 -6.388 1.00 0.00 H new ATOM 0 HA SER A 132 10.025 -17.188 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.799 -18.661 -5.473 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.286 -17.092 -6.061 1.00 0.00 H new ATOM 0 HG SER A 132 10.315 -18.760 -7.223 1.00 0.00 H new ATOM 1939 N GLU A 133 12.579 -17.493 -4.620 1.00 0.00 N ATOM 1940 CA GLU A 133 13.904 -18.085 -4.770 1.00 0.00 C ATOM 1941 C GLU A 133 13.843 -19.603 -4.653 1.00 0.00 C ATOM 1942 O GLU A 133 14.257 -20.176 -3.645 1.00 0.00 O ATOM 1943 CB GLU A 133 14.858 -17.518 -3.717 1.00 0.00 C ATOM 1944 CG GLU A 133 16.066 -16.810 -4.309 1.00 0.00 C ATOM 1945 CD GLU A 133 17.272 -16.849 -3.393 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.151 -17.391 -2.274 1.00 0.00 O ATOM 1947 OE2 GLU A 133 18.340 -16.337 -3.794 1.00 0.00 O ATOM 0 H GLU A 133 12.493 -16.845 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 133 14.276 -17.833 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.312 -16.819 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.201 -18.329 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.323 -17.273 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.807 -15.772 -4.519 1.00 0.00 H new ATOM 1954 N GLY A 134 13.326 -20.250 -5.694 1.00 0.00 N ATOM 1955 CA GLY A 134 13.221 -21.698 -5.694 1.00 0.00 C ATOM 1956 C GLY A 134 12.922 -22.263 -4.319 1.00 0.00 C ATOM 1957 O GLY A 134 13.759 -22.943 -3.725 1.00 0.00 O ATOM 0 H GLY A 134 12.978 -19.796 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.435 -22.001 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.153 -22.126 -6.063 1.00 0.00 H new ATOM 1961 N ARG A 135 11.727 -21.981 -3.811 1.00 0.00 N ATOM 1962 CA ARG A 135 11.322 -22.468 -2.499 1.00 0.00 C ATOM 1963 C ARG A 135 10.640 -23.828 -2.609 1.00 0.00 C ATOM 1964 O ARG A 135 10.315 -24.282 -3.706 1.00 0.00 O ATOM 1965 CB ARG A 135 10.381 -21.465 -1.828 1.00 0.00 C ATOM 1966 CG ARG A 135 10.998 -20.760 -0.631 1.00 0.00 C ATOM 1967 CD ARG A 135 10.202 -19.527 -0.239 1.00 0.00 C ATOM 1968 NE ARG A 135 9.007 -19.869 0.527 1.00 0.00 N ATOM 1969 CZ ARG A 135 9.040 -20.435 1.729 1.00 0.00 C ATOM 1970 NH1 ARG A 135 10.202 -20.716 2.300 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.909 -20.717 2.361 1.00 0.00 N ATOM 0 H ARG A 135 11.023 -21.418 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 135 12.218 -22.580 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.076 -20.719 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.478 -21.985 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 135 11.044 -21.448 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 135 12.023 -20.473 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.832 -18.861 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.913 -18.981 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 135 8.096 -19.662 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 135 11.074 -20.498 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 135 10.225 -21.150 3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.013 -20.500 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.935 -21.151 3.283 1.00 0.00 H new ATOM 1985 N ARG A 136 10.428 -24.473 -1.467 1.00 0.00 N ATOM 1986 CA ARG A 136 9.788 -25.784 -1.437 1.00 0.00 C ATOM 1987 C ARG A 136 8.307 -25.661 -1.092 1.00 0.00 C ATOM 1988 O ARG A 136 7.680 -26.627 -0.655 1.00 0.00 O ATOM 1989 CB ARG A 136 10.485 -26.691 -0.422 1.00 0.00 C ATOM 1990 CG ARG A 136 11.891 -26.237 -0.064 1.00 0.00 C ATOM 1991 CD ARG A 136 12.639 -27.304 0.719 1.00 0.00 C ATOM 1992 NE ARG A 136 13.447 -26.730 1.790 1.00 0.00 N ATOM 1993 CZ ARG A 136 14.348 -27.420 2.483 1.00 0.00 C ATOM 1994 NH1 ARG A 136 14.554 -28.702 2.216 1.00 0.00 N ATOM 1995 NH2 ARG A 136 15.044 -26.827 3.445 1.00 0.00 N ATOM 0 H ARG A 136 10.690 -24.110 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 136 9.875 -26.225 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.884 -26.735 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.530 -27.703 -0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.441 -26.000 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.840 -25.321 0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.925 -28.011 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.281 -27.867 0.042 1.00 0.00 H new ATOM 0 HE ARG A 136 13.313 -25.745 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 136 14.021 -29.161 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 136 15.246 -29.229 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.888 -25.841 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.735 -27.357 3.976 1.00 0.00 H new ATOM 2009 N ASP A 137 7.753 -24.470 -1.293 1.00 0.00 N ATOM 2010 CA ASP A 137 6.344 -24.226 -1.004 1.00 0.00 C ATOM 2011 C ASP A 137 5.766 -23.179 -1.949 1.00 0.00 C ATOM 2012 O ASP A 137 5.855 -21.979 -1.690 1.00 0.00 O ATOM 2013 CB ASP A 137 6.170 -23.773 0.446 1.00 0.00 C ATOM 2014 CG ASP A 137 7.297 -22.873 0.912 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.650 -21.931 0.170 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.827 -23.109 2.019 1.00 0.00 O ATOM 0 H ASP A 137 8.257 -23.660 -1.654 1.00 0.00 H new ATOM 0 HA ASP A 137 5.803 -25.160 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.222 -23.245 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.117 -24.649 1.093 1.00 0.00 H new ATOM 2021 N ASN A 138 5.172 -23.640 -3.045 1.00 0.00 N ATOM 2022 CA ASN A 138 4.578 -22.742 -4.028 1.00 0.00 C ATOM 2023 C ASN A 138 3.790 -21.632 -3.341 1.00 0.00 C ATOM 2024 O ASN A 138 2.646 -21.831 -2.932 1.00 0.00 O ATOM 2025 CB ASN A 138 3.665 -23.522 -4.975 1.00 0.00 C ATOM 2026 CG ASN A 138 3.299 -22.725 -6.212 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.327 -21.969 -6.211 1.00 0.00 O ATOM 2028 ND2 ASN A 138 4.077 -22.891 -7.275 1.00 0.00 N ATOM 0 H ASN A 138 5.089 -24.630 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 138 5.384 -22.288 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.161 -24.445 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.755 -23.806 -4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.879 -22.381 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.872 -23.528 -7.230 1.00 0.00 H new ATOM 2035 N MET A 139 4.408 -20.462 -3.219 1.00 0.00 N ATOM 2036 CA MET A 139 3.765 -19.320 -2.582 1.00 0.00 C ATOM 2037 C MET A 139 4.664 -18.090 -2.638 1.00 0.00 C ATOM 2038 O MET A 139 5.279 -17.712 -1.642 1.00 0.00 O ATOM 2039 CB MET A 139 3.420 -19.648 -1.127 1.00 0.00 C ATOM 2040 CG MET A 139 2.123 -19.014 -0.653 1.00 0.00 C ATOM 2041 SD MET A 139 1.373 -19.911 0.720 1.00 0.00 S ATOM 2042 CE MET A 139 1.065 -18.573 1.871 1.00 0.00 C ATOM 0 H MET A 139 5.354 -20.280 -3.553 1.00 0.00 H new ATOM 0 HA MET A 139 2.846 -19.102 -3.126 1.00 0.00 H new ATOM 0 HB2 MET A 139 3.349 -20.730 -1.014 1.00 0.00 H new ATOM 0 HB3 MET A 139 4.235 -19.313 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 139 2.316 -17.986 -0.348 1.00 0.00 H new ATOM 0 HG3 MET A 139 1.418 -18.973 -1.484 1.00 0.00 H new ATOM 0 HE1 MET A 139 0.141 -18.767 2.415 1.00 0.00 H new ATOM 0 HE2 MET A 139 1.893 -18.502 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 139 0.973 -17.635 1.323 1.00 0.00 H new ATOM 2052 N LYS A 140 4.735 -17.470 -3.812 1.00 0.00 N ATOM 2053 CA LYS A 140 5.557 -16.282 -4.003 1.00 0.00 C ATOM 2054 C LYS A 140 5.553 -15.410 -2.751 1.00 0.00 C ATOM 2055 O LYS A 140 4.505 -14.931 -2.319 1.00 0.00 O ATOM 2056 CB LYS A 140 5.055 -15.477 -5.202 1.00 0.00 C ATOM 2057 CG LYS A 140 6.043 -15.422 -6.356 1.00 0.00 C ATOM 2058 CD LYS A 140 5.910 -16.634 -7.263 1.00 0.00 C ATOM 2059 CE LYS A 140 4.605 -16.607 -8.041 1.00 0.00 C ATOM 2060 NZ LYS A 140 4.209 -17.963 -8.511 1.00 0.00 N ATOM 0 H LYS A 140 4.232 -17.772 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 140 6.580 -16.605 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.120 -15.912 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.831 -14.461 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 140 5.877 -14.513 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 140 7.059 -15.369 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 140 6.749 -16.663 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 140 5.960 -17.544 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 140 3.816 -16.197 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 140 4.707 -15.942 -8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.314 -17.900 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.950 -18.345 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 4.086 -18.592 -7.692 1.00 0.00 H new ATOM 2074 N TRP A 141 6.733 -15.211 -2.171 1.00 0.00 N ATOM 2075 CA TRP A 141 6.864 -14.399 -0.968 1.00 0.00 C ATOM 2076 C TRP A 141 7.660 -13.128 -1.249 1.00 0.00 C ATOM 2077 O TRP A 141 8.255 -12.979 -2.317 1.00 0.00 O ATOM 2078 CB TRP A 141 7.545 -15.204 0.141 1.00 0.00 C ATOM 2079 CG TRP A 141 8.955 -15.589 -0.184 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.376 -16.755 -0.757 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.132 -14.808 0.047 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.742 -16.746 -0.898 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.230 -15.561 -0.411 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.364 -13.543 0.595 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.538 -15.090 -0.337 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.664 -13.078 0.668 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.736 -13.849 0.204 1.00 0.00 C ATOM 0 H TRP A 141 7.611 -15.601 -2.515 1.00 0.00 H new ATOM 0 HA TRP A 141 5.864 -14.113 -0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.539 -14.619 1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.965 -16.107 0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.729 -17.566 -1.056 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.302 -17.498 -1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.543 -12.940 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.367 -15.683 -0.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.856 -12.103 1.090 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.740 -13.456 0.274 1.00 0.00 H new ATOM 2098 N CYS A 142 7.666 -12.217 -0.282 1.00 0.00 N ATOM 2099 CA CYS A 142 8.387 -10.957 -0.421 1.00 0.00 C ATOM 2100 C CYS A 142 8.894 -10.474 0.935 1.00 0.00 C ATOM 2101 O CYS A 142 8.846 -11.207 1.924 1.00 0.00 O ATOM 2102 CB CYS A 142 7.485 -9.894 -1.049 1.00 0.00 C ATOM 2103 SG CYS A 142 5.926 -9.619 -0.149 1.00 0.00 S ATOM 0 H CYS A 142 7.179 -12.328 0.607 1.00 0.00 H new ATOM 0 HA CYS A 142 9.244 -11.125 -1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 142 8.033 -8.953 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.254 -10.187 -2.073 1.00 0.00 H new ATOM 2108 N GLY A 143 9.377 -9.238 0.976 1.00 0.00 N ATOM 2109 CA GLY A 143 9.884 -8.680 2.215 1.00 0.00 C ATOM 2110 C GLY A 143 8.925 -7.686 2.839 1.00 0.00 C ATOM 2111 O GLY A 143 8.435 -6.779 2.166 1.00 0.00 O ATOM 0 H GLY A 143 9.427 -8.612 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.076 -9.487 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.838 -8.189 2.025 1.00 0.00 H new ATOM 2115 N THR A 144 8.656 -7.856 4.129 1.00 0.00 N ATOM 2116 CA THR A 144 7.752 -6.965 4.843 1.00 0.00 C ATOM 2117 C THR A 144 8.415 -5.621 5.130 1.00 0.00 C ATOM 2118 O THR A 144 7.804 -4.731 5.722 1.00 0.00 O ATOM 2119 CB THR A 144 7.283 -7.586 6.172 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.415 -7.907 6.990 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.462 -8.842 5.922 1.00 0.00 C ATOM 0 H THR A 144 9.051 -8.603 4.700 1.00 0.00 H new ATOM 0 HA THR A 144 6.888 -6.810 4.197 1.00 0.00 H new ATOM 0 HB THR A 144 6.657 -6.857 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.236 -7.617 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 144 6.142 -9.263 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.586 -8.591 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 144 7.069 -9.573 5.388 1.00 0.00 H new ATOM 2129 N THR A 145 9.668 -5.481 4.705 1.00 0.00 N ATOM 2130 CA THR A 145 10.412 -4.246 4.916 1.00 0.00 C ATOM 2131 C THR A 145 11.391 -3.995 3.772 1.00 0.00 C ATOM 2132 O THR A 145 11.706 -4.902 3.002 1.00 0.00 O ATOM 2133 CB THR A 145 11.188 -4.278 6.246 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.198 -5.294 6.200 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.249 -4.543 7.414 1.00 0.00 C ATOM 0 H THR A 145 10.188 -6.208 4.213 1.00 0.00 H new ATOM 0 HA THR A 145 9.683 -3.437 4.951 1.00 0.00 H new ATOM 0 HB THR A 145 11.658 -3.305 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.240 -5.753 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.819 -4.561 8.343 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.499 -3.754 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.755 -5.504 7.273 1.00 0.00 H new ATOM 2143 N GLN A 146 11.864 -2.757 3.666 1.00 0.00 N ATOM 2144 CA GLN A 146 12.804 -2.384 2.615 1.00 0.00 C ATOM 2145 C GLN A 146 13.766 -3.527 2.305 1.00 0.00 C ATOM 2146 O GLN A 146 13.954 -3.896 1.145 1.00 0.00 O ATOM 2147 CB GLN A 146 13.591 -1.138 3.026 1.00 0.00 C ATOM 2148 CG GLN A 146 14.734 -0.800 2.082 1.00 0.00 C ATOM 2149 CD GLN A 146 15.916 -0.178 2.797 1.00 0.00 C ATOM 2150 OE1 GLN A 146 16.495 -0.777 3.703 1.00 0.00 O ATOM 2151 NE2 GLN A 146 16.282 1.033 2.392 1.00 0.00 N ATOM 0 H GLN A 146 11.612 -1.995 4.295 1.00 0.00 H new ATOM 0 HA GLN A 146 12.230 -2.166 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.910 -0.289 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.991 -1.286 4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.059 -1.707 1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.376 -0.113 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.774 1.493 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.071 1.502 2.836 1.00 0.00 H new ATOM 2160 N ASN A 147 14.375 -4.081 3.347 1.00 0.00 N ATOM 2161 CA ASN A 147 15.320 -5.181 3.185 1.00 0.00 C ATOM 2162 C ASN A 147 14.894 -6.393 4.009 1.00 0.00 C ATOM 2163 O ASN A 147 14.954 -6.376 5.238 1.00 0.00 O ATOM 2164 CB ASN A 147 16.725 -4.731 3.591 1.00 0.00 C ATOM 2165 CG ASN A 147 17.407 -3.914 2.512 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.753 -3.200 1.751 1.00 0.00 O ATOM 2167 ND2 ASN A 147 18.729 -4.014 2.439 1.00 0.00 N ATOM 0 H ASN A 147 14.232 -3.787 4.313 1.00 0.00 H new ATOM 0 HA ASN A 147 15.330 -5.472 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.664 -4.141 4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.332 -5.607 3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 147 19.242 -3.487 1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 147 19.231 -4.618 3.090 1.00 0.00 H new ATOM 2174 N TYR A 148 14.462 -7.445 3.320 1.00 0.00 N ATOM 2175 CA TYR A 148 14.024 -8.668 3.981 1.00 0.00 C ATOM 2176 C TYR A 148 15.162 -9.282 4.792 1.00 0.00 C ATOM 2177 O TYR A 148 15.009 -9.562 5.981 1.00 0.00 O ATOM 2178 CB TYR A 148 13.509 -9.672 2.945 1.00 0.00 C ATOM 2179 CG TYR A 148 13.575 -11.114 3.399 1.00 0.00 C ATOM 2180 CD1 TYR A 148 13.158 -11.483 4.672 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.055 -12.105 2.553 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.217 -12.800 5.088 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.119 -13.423 2.961 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.699 -13.765 4.229 1.00 0.00 C ATOM 2185 OH TYR A 148 13.759 -15.077 4.639 1.00 0.00 O ATOM 0 H TYR A 148 14.406 -7.474 2.302 1.00 0.00 H new ATOM 0 HA TYR A 148 13.213 -8.418 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.476 -9.426 2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.090 -9.563 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.782 -10.729 5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.384 -11.841 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.887 -13.072 6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.496 -14.181 2.291 1.00 0.00 H new ATOM 0 HH TYR A 148 14.121 -15.630 3.915 1.00 0.00 H new ATOM 2195 N ASP A 149 16.304 -9.484 4.142 1.00 0.00 N ATOM 2196 CA ASP A 149 17.469 -10.060 4.805 1.00 0.00 C ATOM 2197 C ASP A 149 18.078 -9.069 5.793 1.00 0.00 C ATOM 2198 O ASP A 149 19.022 -9.396 6.513 1.00 0.00 O ATOM 2199 CB ASP A 149 18.516 -10.478 3.773 1.00 0.00 C ATOM 2200 CG ASP A 149 19.866 -10.766 4.401 1.00 0.00 C ATOM 2201 OD1 ASP A 149 20.559 -9.802 4.788 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.230 -11.956 4.507 1.00 0.00 O ATOM 0 H ASP A 149 16.448 -9.258 3.158 1.00 0.00 H new ATOM 0 HA ASP A 149 17.142 -10.942 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.167 -11.366 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.625 -9.688 3.030 1.00 0.00 H new ATOM 2207 N ALA A 150 17.531 -7.857 5.824 1.00 0.00 N ATOM 2208 CA ALA A 150 18.017 -6.820 6.722 1.00 0.00 C ATOM 2209 C ALA A 150 17.374 -6.953 8.097 1.00 0.00 C ATOM 2210 O ALA A 150 18.042 -6.826 9.123 1.00 0.00 O ATOM 2211 CB ALA A 150 17.735 -5.446 6.136 1.00 0.00 C ATOM 0 H ALA A 150 16.749 -7.571 5.235 1.00 0.00 H new ATOM 0 HA ALA A 150 19.094 -6.939 6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.103 -4.678 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.239 -5.350 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.661 -5.323 5.997 1.00 0.00 H new ATOM 2217 N ASP A 151 16.071 -7.210 8.107 1.00 0.00 N ATOM 2218 CA ASP A 151 15.333 -7.363 9.352 1.00 0.00 C ATOM 2219 C ASP A 151 14.941 -8.821 9.577 1.00 0.00 C ATOM 2220 O ASP A 151 14.484 -9.191 10.658 1.00 0.00 O ATOM 2221 CB ASP A 151 14.082 -6.483 9.341 1.00 0.00 C ATOM 2222 CG ASP A 151 14.096 -5.443 10.445 1.00 0.00 C ATOM 2223 OD1 ASP A 151 14.769 -5.676 11.471 1.00 0.00 O ATOM 2224 OD2 ASP A 151 13.435 -4.396 10.284 1.00 0.00 O ATOM 0 H ASP A 151 15.505 -7.317 7.265 1.00 0.00 H new ATOM 0 HA ASP A 151 15.982 -7.049 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 151 14.001 -5.983 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 151 13.198 -7.112 9.449 1.00 0.00 H new ATOM 2229 N GLN A 152 15.124 -9.644 8.549 1.00 0.00 N ATOM 2230 CA GLN A 152 14.790 -11.061 8.635 1.00 0.00 C ATOM 2231 C GLN A 152 13.288 -11.255 8.817 1.00 0.00 C ATOM 2232 O GLN A 152 12.846 -11.881 9.780 1.00 0.00 O ATOM 2233 CB GLN A 152 15.545 -11.715 9.794 1.00 0.00 C ATOM 2234 CG GLN A 152 16.015 -13.128 9.493 1.00 0.00 C ATOM 2235 CD GLN A 152 17.523 -13.227 9.373 1.00 0.00 C ATOM 2236 OE1 GLN A 152 18.260 -12.652 10.173 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.989 -13.963 8.371 1.00 0.00 N ATOM 0 H GLN A 152 15.502 -9.354 7.647 1.00 0.00 H new ATOM 0 HA GLN A 152 15.089 -11.537 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 152 16.409 -11.100 10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.899 -11.735 10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.672 -13.797 10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 152 15.557 -13.469 8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 152 17.341 -14.422 7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.995 -14.069 8.241 1.00 0.00 H new ATOM 2246 N LYS A 153 12.509 -10.714 7.887 1.00 0.00 N ATOM 2247 CA LYS A 153 11.057 -10.828 7.946 1.00 0.00 C ATOM 2248 C LYS A 153 10.462 -10.973 6.549 1.00 0.00 C ATOM 2249 O LYS A 153 10.473 -10.030 5.757 1.00 0.00 O ATOM 2250 CB LYS A 153 10.457 -9.606 8.643 1.00 0.00 C ATOM 2251 CG LYS A 153 10.801 -9.518 10.121 1.00 0.00 C ATOM 2252 CD LYS A 153 10.579 -8.115 10.661 1.00 0.00 C ATOM 2253 CE LYS A 153 9.313 -8.031 11.500 1.00 0.00 C ATOM 2254 NZ LYS A 153 8.341 -9.105 11.150 1.00 0.00 N ATOM 0 H LYS A 153 12.859 -10.192 7.083 1.00 0.00 H new ATOM 0 HA LYS A 153 10.813 -11.723 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.808 -8.704 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.373 -9.631 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.190 -10.226 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.841 -9.807 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 153 11.436 -7.817 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 153 10.513 -7.411 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.572 -8.106 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.845 -7.057 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 7.383 -8.810 11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 8.367 -9.276 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 8.594 -9.979 11.653 1.00 0.00 H new ATOM 2268 N PHE A 154 9.938 -12.158 6.255 1.00 0.00 N ATOM 2269 CA PHE A 154 9.334 -12.427 4.956 1.00 0.00 C ATOM 2270 C PHE A 154 7.813 -12.450 5.065 1.00 0.00 C ATOM 2271 O PHE A 154 7.258 -12.285 6.152 1.00 0.00 O ATOM 2272 CB PHE A 154 9.838 -13.759 4.399 1.00 0.00 C ATOM 2273 CG PHE A 154 9.359 -14.953 5.173 1.00 0.00 C ATOM 2274 CD1 PHE A 154 10.032 -15.376 6.309 1.00 0.00 C ATOM 2275 CD2 PHE A 154 8.235 -15.655 4.765 1.00 0.00 C ATOM 2276 CE1 PHE A 154 9.593 -16.474 7.022 1.00 0.00 C ATOM 2277 CE2 PHE A 154 7.792 -16.754 5.475 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.472 -17.165 6.606 1.00 0.00 C ATOM 0 H PHE A 154 9.920 -12.948 6.900 1.00 0.00 H new ATOM 0 HA PHE A 154 9.623 -11.627 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.516 -13.855 3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.928 -13.753 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 154 10.910 -14.841 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 154 7.700 -15.339 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 154 10.127 -16.793 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 154 6.915 -17.292 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.128 -18.024 7.163 1.00 0.00 H new ATOM 2288 N GLY A 155 7.142 -12.651 3.936 1.00 0.00 N ATOM 2289 CA GLY A 155 5.692 -12.688 3.937 1.00 0.00 C ATOM 2290 C GLY A 155 5.115 -13.205 2.636 1.00 0.00 C ATOM 2291 O GLY A 155 5.406 -12.674 1.565 1.00 0.00 O ATOM 0 H GLY A 155 7.575 -12.789 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.350 -13.320 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 155 5.308 -11.685 4.126 1.00 0.00 H new ATOM 2295 N PHE A 156 4.288 -14.242 2.730 1.00 0.00 N ATOM 2296 CA PHE A 156 3.660 -14.826 1.550 1.00 0.00 C ATOM 2297 C PHE A 156 2.525 -13.936 1.058 1.00 0.00 C ATOM 2298 O PHE A 156 1.561 -13.688 1.783 1.00 0.00 O ATOM 2299 CB PHE A 156 3.130 -16.226 1.867 1.00 0.00 C ATOM 2300 CG PHE A 156 4.160 -17.136 2.470 1.00 0.00 C ATOM 2301 CD1 PHE A 156 5.293 -17.492 1.756 1.00 0.00 C ATOM 2302 CD2 PHE A 156 3.996 -17.638 3.752 1.00 0.00 C ATOM 2303 CE1 PHE A 156 6.243 -18.329 2.309 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.943 -18.476 4.309 1.00 0.00 C ATOM 2305 CZ PHE A 156 6.068 -18.822 3.586 1.00 0.00 C ATOM 0 H PHE A 156 4.038 -14.694 3.609 1.00 0.00 H new ATOM 0 HA PHE A 156 4.410 -14.905 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.287 -16.140 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.750 -16.678 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.435 -17.111 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.118 -17.371 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 156 7.122 -18.597 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 156 4.804 -18.860 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.809 -19.477 4.019 1.00 0.00 H new ATOM 2315 N CYS A 157 2.649 -13.450 -0.172 1.00 0.00 N ATOM 2316 CA CYS A 157 1.634 -12.579 -0.751 1.00 0.00 C ATOM 2317 C CYS A 157 0.564 -13.385 -1.479 1.00 0.00 C ATOM 2318 O CYS A 157 0.786 -14.534 -1.860 1.00 0.00 O ATOM 2319 CB CYS A 157 2.281 -11.578 -1.712 1.00 0.00 C ATOM 2320 SG CYS A 157 2.473 -12.193 -3.417 1.00 0.00 S ATOM 0 H CYS A 157 3.440 -13.644 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 157 1.154 -12.036 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.679 -10.669 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.262 -11.302 -1.325 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.616 -12.783 -1.681 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.736 -13.435 -2.367 1.00 0.00 C ATOM 2327 C PRO A 158 -1.453 -13.662 -3.848 1.00 0.00 C ATOM 2328 O PRO A 158 -0.541 -13.060 -4.416 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.890 -12.446 -2.189 1.00 0.00 C ATOM 2330 CG PRO A 158 -2.231 -11.125 -1.983 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.950 -11.412 -1.253 1.00 0.00 C ATOM 0 HA PRO A 158 -1.941 -14.425 -1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.538 -12.432 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.513 -12.715 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.036 -10.633 -2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.869 -10.457 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.166 -10.704 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -1.080 -11.348 -0.173 1.00 0.00 H new ATOM 2339 N MET A 159 -2.240 -14.534 -4.468 1.00 0.00 N ATOM 2340 CA MET A 159 -2.075 -14.841 -5.885 1.00 0.00 C ATOM 2341 C MET A 159 -3.172 -14.184 -6.715 1.00 0.00 C ATOM 2342 O MET A 159 -2.891 -13.470 -7.679 1.00 0.00 O ATOM 2343 CB MET A 159 -2.089 -16.355 -6.106 1.00 0.00 C ATOM 2344 CG MET A 159 -3.382 -17.021 -5.664 1.00 0.00 C ATOM 2345 SD MET A 159 -3.187 -18.789 -5.367 1.00 0.00 S ATOM 2346 CE MET A 159 -4.449 -19.456 -6.448 1.00 0.00 C ATOM 0 H MET A 159 -2.999 -15.041 -4.012 1.00 0.00 H new ATOM 0 HA MET A 159 -1.113 -14.443 -6.208 1.00 0.00 H new ATOM 0 HB2 MET A 159 -1.927 -16.561 -7.164 1.00 0.00 H new ATOM 0 HB3 MET A 159 -1.256 -16.801 -5.563 1.00 0.00 H new ATOM 0 HG2 MET A 159 -3.740 -16.541 -4.753 1.00 0.00 H new ATOM 0 HG3 MET A 159 -4.145 -16.867 -6.427 1.00 0.00 H new ATOM 0 HE1 MET A 159 -4.452 -20.544 -6.376 1.00 0.00 H new ATOM 0 HE2 MET A 159 -5.424 -19.069 -6.151 1.00 0.00 H new ATOM 0 HE3 MET A 159 -4.240 -19.162 -7.476 1.00 0.00 H new ATOM 2356 N ALA A 160 -4.422 -14.430 -6.338 1.00 0.00 N ATOM 2357 CA ALA A 160 -5.561 -13.861 -7.048 1.00 0.00 C ATOM 2358 C ALA A 160 -5.940 -12.500 -6.477 1.00 0.00 C ATOM 2359 O ALA A 160 -6.171 -12.416 -5.252 1.00 0.00 O ATOM 2360 CB ALA A 160 -6.747 -14.811 -6.985 1.00 0.00 C ATOM 2361 OXT ALA A 160 -6.002 -11.528 -7.259 1.00 0.00 O ATOM 0 H ALA A 160 -4.672 -15.020 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 160 -5.276 -13.720 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -7.591 -14.375 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -6.477 -15.761 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -7.024 -14.979 -5.944 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 19.461 -2.072 -4.012 1.00 0.00 C HETATM 2369 C2 NAG A 161 20.938 -2.124 -3.661 1.00 0.00 C HETATM 2370 C3 NAG A 161 21.334 -0.813 -2.991 1.00 0.00 C HETATM 2371 C4 NAG A 161 21.069 0.376 -3.944 1.00 0.00 C HETATM 2372 C5 NAG A 161 19.534 0.363 -4.289 1.00 0.00 C HETATM 2373 C6 NAG A 161 19.155 1.471 -5.285 1.00 0.00 C HETATM 2374 C7 NAG A 161 22.001 -4.260 -3.169 1.00 0.00 C HETATM 2375 C8 NAG A 161 22.225 -5.361 -2.136 1.00 0.00 C HETATM 2376 N2 NAG A 161 21.237 -3.244 -2.780 1.00 0.00 N HETATM 2377 O3 NAG A 161 22.713 -0.849 -2.658 1.00 0.00 O HETATM 2378 O4 NAG A 161 21.463 1.564 -3.268 1.00 0.00 O HETATM 2379 O5 NAG A 161 19.202 -0.935 -4.859 1.00 0.00 O HETATM 2380 O6 NAG A 161 18.036 1.032 -6.053 1.00 0.00 O HETATM 2381 O7 NAG A 161 22.504 -4.323 -4.291 1.00 0.00 O HETATM 0 HO6 NAG A 161 18.043 0.054 -6.112 1.00 0.00 H new HETATM 0 HO4 NAG A 161 21.308 2.338 -3.849 1.00 0.00 H new HETATM 0 HO3 NAG A 161 23.092 0.051 -2.736 1.00 0.00 H new HETATM 0 HN2 NAG A 161 20.849 -3.249 -1.837 1.00 0.00 H new HETATM 0 H83 NAG A 161 22.707 -4.940 -1.254 1.00 0.00 H new HETATM 0 H82 NAG A 161 21.266 -5.795 -1.853 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.862 -6.136 -2.563 1.00 0.00 H new HETATM 0 H62 NAG A 161 18.911 2.390 -4.753 1.00 0.00 H new HETATM 0 H61 NAG A 161 19.998 1.696 -5.939 1.00 0.00 H new HETATM 0 H5 NAG A 161 18.974 0.545 -3.372 1.00 0.00 H new HETATM 0 H4 NAG A 161 21.632 0.314 -4.875 1.00 0.00 H new HETATM 0 H3 NAG A 161 20.739 -0.685 -2.087 1.00 0.00 H new HETATM 0 H2 NAG A 161 21.510 -2.265 -4.578 1.00 0.00 H new