USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-2.5) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0.579 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.639 K(o=1.2,f=-0.014) USER MOD Single : A 3 GLN : amide:sc=-0.00852 K(o=-0.0085,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 7 GLN : amide:sc= -0.023 K(o=-0.023,f=-0.75) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.14) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 12 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 77:sc= 0.431 USER MOD Single : A 27 TYR OH : rot 26:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.0021) USER MOD Single : A 32 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 34 GLN : amide:sc= 1.44 K(o=1.4,f=0.48) USER MOD Single : A 36 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.16) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 156:sc= 1.24 USER MOD Single : A 42 SER OG : rot 99:sc= 2.3 USER MOD Single : A 43 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.18) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00223 X(o=-0.0022,f=-0.49) USER MOD Single : A 59 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.68) USER MOD Single : A 60 MET CE :methyl -131:sc= 0 (180deg=-1.08) USER MOD Single : A 61 CYS SG : rot 72:sc= 0.0292 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.106 F(o=-0.93,f=0.11) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -66:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.371 X(o=0.37,f=0) USER MOD Single : A 82 TYR OH : rot 130:sc= 0.456 USER MOD Single : A 88 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.012 10.759 -9.679 1.00 0.00 N ATOM 31 CA GLN A 3 16.389 10.680 -8.254 1.00 0.00 C ATOM 32 C GLN A 3 15.154 10.501 -7.355 1.00 0.00 C ATOM 33 O GLN A 3 15.126 9.644 -6.474 1.00 0.00 O ATOM 34 CB GLN A 3 17.143 11.947 -7.814 1.00 0.00 C ATOM 35 CG GLN A 3 18.441 12.256 -8.575 1.00 0.00 C ATOM 36 CD GLN A 3 19.598 11.285 -8.357 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.505 10.237 -7.729 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.741 11.598 -8.909 1.00 0.00 N ATOM 0 HA GLN A 3 17.038 9.811 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.472 12.800 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.380 11.855 -6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.214 12.285 -9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.774 13.255 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.832 12.467 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.541 10.973 -8.814 1.00 0.00 H new ATOM 47 N PHE A 4 14.094 11.265 -7.623 1.00 0.00 N ATOM 48 CA PHE A 4 12.829 11.207 -6.892 1.00 0.00 C ATOM 49 C PHE A 4 12.118 9.855 -7.106 1.00 0.00 C ATOM 50 O PHE A 4 11.657 9.232 -6.147 1.00 0.00 O ATOM 51 CB PHE A 4 12.000 12.451 -7.275 1.00 0.00 C ATOM 52 CG PHE A 4 10.559 12.223 -7.676 1.00 0.00 C ATOM 53 CD1 PHE A 4 9.628 11.788 -6.718 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.130 12.505 -8.986 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.272 11.663 -7.047 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.776 12.356 -9.326 1.00 0.00 C ATOM 57 CZ PHE A 4 7.852 11.928 -8.361 1.00 0.00 C ATOM 0 H PHE A 4 14.092 11.957 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 4 12.991 11.244 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.011 13.138 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.505 12.953 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.961 11.548 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.841 12.836 -9.729 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.555 11.365 -6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.445 12.571 -10.331 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.814 11.802 -8.629 1.00 0.00 H new ATOM 67 N GLU A 5 12.139 9.344 -8.341 1.00 0.00 N ATOM 68 CA GLU A 5 11.684 7.990 -8.708 1.00 0.00 C ATOM 69 C GLU A 5 12.476 6.877 -8.009 1.00 0.00 C ATOM 70 O GLU A 5 11.966 5.772 -7.803 1.00 0.00 O ATOM 71 CB GLU A 5 11.843 7.791 -10.221 1.00 0.00 C ATOM 72 CG GLU A 5 11.086 8.793 -11.106 1.00 0.00 C ATOM 73 CD GLU A 5 9.582 8.505 -11.213 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.899 9.051 -12.109 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.050 7.657 -10.463 1.00 0.00 O ATOM 0 H GLU A 5 12.483 9.874 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 5 10.643 7.919 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.903 7.845 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.508 6.785 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.228 9.797 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.521 8.783 -12.105 1.00 0.00 H new ATOM 83 N LYS A 6 13.723 7.164 -7.617 1.00 0.00 N ATOM 84 CA LYS A 6 14.592 6.233 -6.905 1.00 0.00 C ATOM 85 C LYS A 6 14.219 6.137 -5.433 1.00 0.00 C ATOM 86 O LYS A 6 14.039 5.022 -4.938 1.00 0.00 O ATOM 87 CB LYS A 6 16.061 6.625 -7.142 1.00 0.00 C ATOM 88 CG LYS A 6 16.961 5.416 -7.423 1.00 0.00 C ATOM 89 CD LYS A 6 17.680 4.864 -6.180 1.00 0.00 C ATOM 90 CE LYS A 6 18.693 5.837 -5.557 1.00 0.00 C ATOM 91 NZ LYS A 6 19.844 6.112 -6.446 1.00 0.00 N ATOM 0 H LYS A 6 14.160 8.069 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 6 14.454 5.226 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.117 7.317 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.436 7.156 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.357 4.622 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.707 5.697 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.935 4.602 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.196 3.943 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.191 6.775 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.057 5.423 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.503 6.760 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.333 5.221 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.506 6.549 -7.327 1.00 0.00 H new ATOM 105 N GLN A 7 14.027 7.272 -4.751 1.00 0.00 N ATOM 106 CA GLN A 7 13.734 7.263 -3.311 1.00 0.00 C ATOM 107 C GLN A 7 12.332 6.732 -2.978 1.00 0.00 C ATOM 108 O GLN A 7 12.180 6.071 -1.948 1.00 0.00 O ATOM 109 CB GLN A 7 14.004 8.599 -2.589 1.00 0.00 C ATOM 110 CG GLN A 7 14.710 9.710 -3.380 1.00 0.00 C ATOM 111 CD GLN A 7 15.257 10.805 -2.465 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.796 10.534 -1.401 1.00 0.00 O ATOM 113 NE2 GLN A 7 15.198 12.064 -2.832 1.00 0.00 N ATOM 0 H GLN A 7 14.068 8.202 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 7 14.460 6.553 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.048 8.991 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.603 8.386 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.527 9.280 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.011 10.148 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.754 12.318 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.596 12.789 -2.235 1.00 0.00 H new ATOM 122 N LYS A 8 11.326 6.934 -3.851 1.00 0.00 N ATOM 123 CA LYS A 8 9.973 6.381 -3.615 1.00 0.00 C ATOM 124 C LYS A 8 9.966 4.855 -3.476 1.00 0.00 C ATOM 125 O LYS A 8 9.213 4.342 -2.658 1.00 0.00 O ATOM 126 CB LYS A 8 8.936 6.846 -4.661 1.00 0.00 C ATOM 127 CG LYS A 8 9.324 6.525 -6.108 1.00 0.00 C ATOM 128 CD LYS A 8 8.200 6.701 -7.138 1.00 0.00 C ATOM 129 CE LYS A 8 7.751 8.151 -7.382 1.00 0.00 C ATOM 130 NZ LYS A 8 7.061 8.234 -8.683 1.00 0.00 N ATOM 0 H LYS A 8 11.419 7.468 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 8 9.667 6.795 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.977 6.377 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.795 7.922 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.160 7.163 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.679 5.495 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.529 6.276 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.337 6.121 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.086 8.477 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.613 8.818 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.638 9.178 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.745 8.070 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.313 7.512 -8.726 1.00 0.00 H new ATOM 144 N GLU A 9 10.826 4.145 -4.214 1.00 0.00 N ATOM 145 CA GLU A 9 10.972 2.682 -4.076 1.00 0.00 C ATOM 146 C GLU A 9 12.073 2.254 -3.087 1.00 0.00 C ATOM 147 O GLU A 9 12.030 1.138 -2.564 1.00 0.00 O ATOM 148 CB GLU A 9 11.226 2.033 -5.440 1.00 0.00 C ATOM 149 CG GLU A 9 10.181 2.340 -6.520 1.00 0.00 C ATOM 150 CD GLU A 9 10.365 1.345 -7.671 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.390 1.457 -8.389 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.556 0.400 -7.840 1.00 0.00 O ATOM 0 H GLU A 9 11.437 4.558 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 9 10.026 2.332 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.202 2.356 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.278 0.953 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.175 2.260 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.298 3.362 -6.880 1.00 0.00 H new ATOM 160 N GLN A 10 13.048 3.120 -2.787 1.00 0.00 N ATOM 161 CA GLN A 10 14.032 2.884 -1.722 1.00 0.00 C ATOM 162 C GLN A 10 13.334 2.770 -0.358 1.00 0.00 C ATOM 163 O GLN A 10 13.637 1.871 0.426 1.00 0.00 O ATOM 164 CB GLN A 10 15.052 4.034 -1.716 1.00 0.00 C ATOM 165 CG GLN A 10 16.235 3.817 -0.759 1.00 0.00 C ATOM 166 CD GLN A 10 17.100 5.068 -0.599 1.00 0.00 C ATOM 167 OE1 GLN A 10 16.973 6.067 -1.300 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.040 5.071 0.313 1.00 0.00 N ATOM 0 H GLN A 10 13.178 4.006 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 10 14.551 1.944 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.436 4.170 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.541 4.957 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.857 3.514 0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.852 2.998 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.172 4.256 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.640 5.888 0.424 1.00 0.00 H new ATOM 177 N GLY A 11 12.349 3.636 -0.093 1.00 0.00 N ATOM 178 CA GLY A 11 11.607 3.642 1.167 1.00 0.00 C ATOM 179 C GLY A 11 10.867 2.330 1.469 1.00 0.00 C ATOM 180 O GLY A 11 10.883 1.882 2.613 1.00 0.00 O ATOM 0 H GLY A 11 12.045 4.354 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.299 3.851 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.884 4.457 1.146 1.00 0.00 H new ATOM 184 N ASN A 12 10.304 1.657 0.456 1.00 0.00 N ATOM 185 CA ASN A 12 9.670 0.338 0.603 1.00 0.00 C ATOM 186 C ASN A 12 10.638 -0.704 1.184 1.00 0.00 C ATOM 187 O ASN A 12 10.296 -1.419 2.128 1.00 0.00 O ATOM 188 CB ASN A 12 9.167 -0.138 -0.772 1.00 0.00 C ATOM 189 CG ASN A 12 7.968 0.641 -1.260 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.084 1.544 -2.068 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.785 0.297 -0.820 1.00 0.00 N ATOM 0 H ASN A 12 10.275 2.016 -0.498 1.00 0.00 H new ATOM 0 HA ASN A 12 8.838 0.441 1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.974 -0.048 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.908 -1.195 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.955 0.786 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.693 -0.460 -0.143 1.00 0.00 H new ATOM 198 N SER A 13 11.858 -0.745 0.646 1.00 0.00 N ATOM 199 CA SER A 13 12.937 -1.615 1.120 1.00 0.00 C ATOM 200 C SER A 13 13.422 -1.209 2.514 1.00 0.00 C ATOM 201 O SER A 13 13.565 -2.065 3.384 1.00 0.00 O ATOM 202 CB SER A 13 14.082 -1.549 0.109 1.00 0.00 C ATOM 203 OG SER A 13 15.252 -2.194 0.570 1.00 0.00 O ATOM 0 H SER A 13 12.130 -0.163 -0.147 1.00 0.00 H new ATOM 0 HA SER A 13 12.565 -2.636 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.763 -2.009 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.309 -0.506 -0.110 1.00 0.00 H new ATOM 0 HG SER A 13 15.953 -2.126 -0.111 1.00 0.00 H new ATOM 209 N LEU A 14 13.601 0.089 2.777 1.00 0.00 N ATOM 210 CA LEU A 14 14.000 0.588 4.096 1.00 0.00 C ATOM 211 C LEU A 14 12.998 0.173 5.190 1.00 0.00 C ATOM 212 O LEU A 14 13.420 -0.334 6.229 1.00 0.00 O ATOM 213 CB LEU A 14 14.203 2.111 4.033 1.00 0.00 C ATOM 214 CG LEU A 14 15.477 2.562 3.295 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.457 4.076 3.097 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.730 2.214 4.095 1.00 0.00 C ATOM 0 H LEU A 14 13.473 0.824 2.081 1.00 0.00 H new ATOM 0 HA LEU A 14 14.950 0.131 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.338 2.559 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.231 2.502 5.050 1.00 0.00 H new ATOM 0 HG LEU A 14 15.499 2.045 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.362 4.387 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.584 4.354 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.411 4.569 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.614 2.544 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.694 2.713 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.778 1.135 4.245 1.00 0.00 H new ATOM 228 N PHE A 15 11.681 0.256 4.949 1.00 0.00 N ATOM 229 CA PHE A 15 10.687 -0.321 5.869 1.00 0.00 C ATOM 230 C PHE A 15 10.874 -1.833 6.061 1.00 0.00 C ATOM 231 O PHE A 15 10.794 -2.318 7.187 1.00 0.00 O ATOM 232 CB PHE A 15 9.255 -0.031 5.398 1.00 0.00 C ATOM 233 CG PHE A 15 8.816 1.409 5.566 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.779 1.993 6.845 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.419 2.162 4.449 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.392 3.333 7.006 1.00 0.00 C ATOM 237 CE2 PHE A 15 7.995 3.488 4.614 1.00 0.00 C ATOM 238 CZ PHE A 15 7.982 4.078 5.889 1.00 0.00 C ATOM 0 H PHE A 15 11.280 0.714 4.130 1.00 0.00 H new ATOM 0 HA PHE A 15 10.849 0.161 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.171 -0.303 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.568 -0.673 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.050 1.406 7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.440 1.720 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.410 3.789 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.676 4.060 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.658 5.101 6.009 1.00 0.00 H new ATOM 248 N LYS A 16 11.192 -2.574 4.993 1.00 0.00 N ATOM 249 CA LYS A 16 11.403 -4.031 5.023 1.00 0.00 C ATOM 250 C LYS A 16 12.615 -4.463 5.871 1.00 0.00 C ATOM 251 O LYS A 16 12.514 -5.467 6.583 1.00 0.00 O ATOM 252 CB LYS A 16 11.451 -4.550 3.567 1.00 0.00 C ATOM 253 CG LYS A 16 10.406 -5.629 3.237 1.00 0.00 C ATOM 254 CD LYS A 16 8.936 -5.267 3.527 1.00 0.00 C ATOM 255 CE LYS A 16 8.412 -3.959 2.916 1.00 0.00 C ATOM 256 NZ LYS A 16 8.052 -4.129 1.489 1.00 0.00 N ATOM 0 H LYS A 16 11.313 -2.172 4.063 1.00 0.00 H new ATOM 0 HA LYS A 16 10.562 -4.497 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.310 -3.707 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.445 -4.953 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.495 -5.879 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.654 -6.529 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.308 -6.084 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.806 -5.213 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.539 -3.620 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.172 -3.183 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.702 -3.226 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.891 -4.428 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.309 -4.852 1.402 1.00 0.00 H new ATOM 270 N GLN A 17 13.698 -3.678 5.922 1.00 0.00 N ATOM 271 CA GLN A 17 14.815 -3.874 6.877 1.00 0.00 C ATOM 272 C GLN A 17 14.530 -3.339 8.301 1.00 0.00 C ATOM 273 O GLN A 17 15.308 -3.600 9.225 1.00 0.00 O ATOM 274 CB GLN A 17 16.125 -3.255 6.344 1.00 0.00 C ATOM 275 CG GLN A 17 16.821 -4.068 5.237 1.00 0.00 C ATOM 276 CD GLN A 17 16.176 -3.855 3.878 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.358 -4.645 3.418 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.482 -2.759 3.219 1.00 0.00 N ATOM 0 H GLN A 17 13.833 -2.881 5.300 1.00 0.00 H new ATOM 0 HA GLN A 17 14.924 -4.955 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.909 -2.257 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.818 -3.134 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.872 -3.785 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.788 -5.127 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.163 -2.105 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.039 -2.563 2.322 1.00 0.00 H new ATOM 287 N GLY A 18 13.435 -2.597 8.509 1.00 0.00 N ATOM 288 CA GLY A 18 13.098 -1.958 9.791 1.00 0.00 C ATOM 289 C GLY A 18 13.694 -0.554 9.983 1.00 0.00 C ATOM 290 O GLY A 18 13.784 -0.069 11.110 1.00 0.00 O ATOM 0 H GLY A 18 12.745 -2.420 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.013 -1.892 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.442 -2.599 10.603 1.00 0.00 H new ATOM 294 N LEU A 19 14.110 0.111 8.904 1.00 0.00 N ATOM 295 CA LEU A 19 14.762 1.425 8.869 1.00 0.00 C ATOM 296 C LEU A 19 13.713 2.526 8.670 1.00 0.00 C ATOM 297 O LEU A 19 13.744 3.297 7.713 1.00 0.00 O ATOM 298 CB LEU A 19 15.883 1.380 7.812 1.00 0.00 C ATOM 299 CG LEU A 19 16.907 0.246 8.029 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.876 0.185 6.854 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.700 0.439 9.321 1.00 0.00 C ATOM 0 H LEU A 19 13.994 -0.278 7.968 1.00 0.00 H new ATOM 0 HA LEU A 19 15.242 1.672 9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.433 1.266 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.408 2.335 7.814 1.00 0.00 H new ATOM 0 HG LEU A 19 16.349 -0.687 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.595 -0.618 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.322 -0.004 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.406 1.134 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.410 -0.380 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.240 1.385 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.016 0.450 10.170 1.00 0.00 H new ATOM 313 N TYR A 20 12.718 2.536 9.560 1.00 0.00 N ATOM 314 CA TYR A 20 11.486 3.319 9.397 1.00 0.00 C ATOM 315 C TYR A 20 11.735 4.835 9.323 1.00 0.00 C ATOM 316 O TYR A 20 11.093 5.514 8.522 1.00 0.00 O ATOM 317 CB TYR A 20 10.507 3.024 10.548 1.00 0.00 C ATOM 318 CG TYR A 20 9.899 1.632 10.694 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.229 0.546 9.851 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.926 1.452 11.696 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.559 -0.689 9.989 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.260 0.221 11.834 1.00 0.00 C ATOM 323 CZ TYR A 20 8.567 -0.850 10.974 1.00 0.00 C ATOM 324 OH TYR A 20 7.905 -2.026 11.121 1.00 0.00 O ATOM 0 H TYR A 20 12.743 1.995 10.425 1.00 0.00 H new ATOM 0 HA TYR A 20 11.057 3.012 8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.024 3.251 11.480 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.682 3.731 10.461 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.996 0.662 9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.689 2.267 12.364 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.809 -1.513 9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.511 0.097 12.602 1.00 0.00 H new ATOM 0 HH TYR A 20 7.258 -1.948 11.853 1.00 0.00 H new ATOM 334 N ARG A 21 12.670 5.383 10.114 1.00 0.00 N ATOM 335 CA ARG A 21 12.969 6.832 10.084 1.00 0.00 C ATOM 336 C ARG A 21 13.736 7.204 8.818 1.00 0.00 C ATOM 337 O ARG A 21 13.449 8.240 8.220 1.00 0.00 O ATOM 338 CB ARG A 21 13.736 7.305 11.335 1.00 0.00 C ATOM 339 CG ARG A 21 12.865 7.558 12.583 1.00 0.00 C ATOM 340 CD ARG A 21 12.236 6.311 13.213 1.00 0.00 C ATOM 341 NE ARG A 21 13.261 5.305 13.536 1.00 0.00 N ATOM 342 CZ ARG A 21 13.058 4.054 13.881 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.879 3.558 14.121 1.00 0.00 N ATOM 344 NH2 ARG A 21 14.078 3.261 13.955 1.00 0.00 N ATOM 0 H ARG A 21 13.232 4.853 10.780 1.00 0.00 H new ATOM 0 HA ARG A 21 12.009 7.348 10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.490 6.558 11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.267 8.225 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.476 8.055 13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.067 8.249 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.698 6.590 14.119 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.505 5.883 12.527 1.00 0.00 H new ATOM 0 HE ARG A 21 14.232 5.612 13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.052 4.150 14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.782 2.578 14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.013 3.612 13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.947 2.285 14.221 1.00 0.00 H new ATOM 358 N GLU A 22 14.659 6.351 8.378 1.00 0.00 N ATOM 359 CA GLU A 22 15.374 6.532 7.108 1.00 0.00 C ATOM 360 C GLU A 22 14.438 6.411 5.901 1.00 0.00 C ATOM 361 O GLU A 22 14.594 7.153 4.926 1.00 0.00 O ATOM 362 CB GLU A 22 16.511 5.507 7.020 1.00 0.00 C ATOM 363 CG GLU A 22 17.682 5.924 7.915 1.00 0.00 C ATOM 364 CD GLU A 22 18.625 4.755 8.171 1.00 0.00 C ATOM 365 OE1 GLU A 22 18.584 4.205 9.301 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.436 4.424 7.270 1.00 0.00 O ATOM 0 H GLU A 22 14.935 5.513 8.890 1.00 0.00 H new ATOM 0 HA GLU A 22 15.787 7.541 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.147 4.525 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.849 5.418 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.230 6.740 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.301 6.302 8.864 1.00 0.00 H new ATOM 374 N ALA A 23 13.429 5.536 5.982 1.00 0.00 N ATOM 375 CA ALA A 23 12.391 5.426 4.964 1.00 0.00 C ATOM 376 C ALA A 23 11.545 6.704 4.865 1.00 0.00 C ATOM 377 O ALA A 23 11.438 7.285 3.785 1.00 0.00 O ATOM 378 CB ALA A 23 11.517 4.199 5.258 1.00 0.00 C ATOM 0 H ALA A 23 13.314 4.885 6.759 1.00 0.00 H new ATOM 0 HA ALA A 23 12.871 5.299 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.740 4.115 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.135 3.301 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.054 4.308 6.239 1.00 0.00 H new ATOM 384 N VAL A 24 10.984 7.184 5.983 1.00 0.00 N ATOM 385 CA VAL A 24 10.154 8.404 5.996 1.00 0.00 C ATOM 386 C VAL A 24 10.963 9.645 5.587 1.00 0.00 C ATOM 387 O VAL A 24 10.421 10.492 4.876 1.00 0.00 O ATOM 388 CB VAL A 24 9.434 8.580 7.351 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.595 9.861 7.411 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.453 7.426 7.607 1.00 0.00 C ATOM 0 H VAL A 24 11.089 6.745 6.898 1.00 0.00 H new ATOM 0 HA VAL A 24 9.375 8.286 5.243 1.00 0.00 H new ATOM 0 HB VAL A 24 10.231 8.612 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.111 9.934 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.241 10.726 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.835 9.835 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.959 7.574 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.705 7.402 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.998 6.482 7.621 1.00 0.00 H new ATOM 400 N HIS A 25 12.268 9.708 5.899 1.00 0.00 N ATOM 401 CA HIS A 25 13.159 10.757 5.382 1.00 0.00 C ATOM 402 C HIS A 25 13.103 10.835 3.854 1.00 0.00 C ATOM 403 O HIS A 25 12.839 11.912 3.320 1.00 0.00 O ATOM 404 CB HIS A 25 14.615 10.526 5.822 1.00 0.00 C ATOM 405 CG HIS A 25 15.550 11.664 5.459 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.415 12.981 5.832 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.679 11.595 4.683 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.412 13.691 5.286 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.232 12.883 4.590 1.00 0.00 N ATOM 0 H HIS A 25 12.731 9.038 6.512 1.00 0.00 H new ATOM 0 HA HIS A 25 12.807 11.700 5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.640 10.378 6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.982 9.607 5.365 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.075 10.702 4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.539 14.758 5.390 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.083 13.151 4.095 1.00 0.00 H new ATOM 418 N CYS A 26 13.281 9.697 3.166 1.00 0.00 N ATOM 419 CA CYS A 26 13.273 9.612 1.703 1.00 0.00 C ATOM 420 C CYS A 26 11.958 10.126 1.099 1.00 0.00 C ATOM 421 O CYS A 26 11.997 10.848 0.107 1.00 0.00 O ATOM 422 CB CYS A 26 13.530 8.158 1.266 1.00 0.00 C ATOM 423 SG CYS A 26 15.197 7.615 1.724 1.00 0.00 S ATOM 0 H CYS A 26 13.437 8.797 3.621 1.00 0.00 H new ATOM 0 HA CYS A 26 14.070 10.255 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.792 7.502 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.401 8.073 0.187 1.00 0.00 H new ATOM 0 HG CYS A 26 15.230 7.338 2.994 1.00 0.00 H new ATOM 429 N TYR A 27 10.807 9.822 1.711 1.00 0.00 N ATOM 430 CA TYR A 27 9.509 10.332 1.247 1.00 0.00 C ATOM 431 C TYR A 27 9.341 11.837 1.498 1.00 0.00 C ATOM 432 O TYR A 27 8.891 12.553 0.605 1.00 0.00 O ATOM 433 CB TYR A 27 8.365 9.514 1.855 1.00 0.00 C ATOM 434 CG TYR A 27 8.349 8.078 1.369 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.966 7.785 0.045 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.751 7.037 2.223 1.00 0.00 C ATOM 437 CE1 TYR A 27 7.986 6.456 -0.424 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.779 5.711 1.757 1.00 0.00 C ATOM 439 CZ TYR A 27 8.401 5.415 0.432 1.00 0.00 C ATOM 440 OH TYR A 27 8.478 4.134 -0.013 1.00 0.00 O ATOM 0 H TYR A 27 10.748 9.222 2.534 1.00 0.00 H new ATOM 0 HA TYR A 27 9.476 10.209 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.454 9.524 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.415 9.987 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.656 8.583 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.039 7.256 3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.684 6.235 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.092 4.916 2.417 1.00 0.00 H new ATOM 0 HH TYR A 27 8.626 4.133 -0.982 1.00 0.00 H new ATOM 450 N ASP A 28 9.766 12.350 2.657 1.00 0.00 N ATOM 451 CA ASP A 28 9.749 13.791 2.943 1.00 0.00 C ATOM 452 C ASP A 28 10.747 14.581 2.063 1.00 0.00 C ATOM 453 O ASP A 28 10.489 15.745 1.745 1.00 0.00 O ATOM 454 CB ASP A 28 9.980 14.032 4.447 1.00 0.00 C ATOM 455 CG ASP A 28 8.732 13.851 5.322 1.00 0.00 C ATOM 456 OD1 ASP A 28 8.872 13.377 6.476 1.00 0.00 O ATOM 457 OD2 ASP A 28 7.630 14.310 4.930 1.00 0.00 O ATOM 0 H ASP A 28 10.130 11.782 3.422 1.00 0.00 H new ATOM 0 HA ASP A 28 8.763 14.175 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.755 13.349 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.361 15.044 4.585 1.00 0.00 H new ATOM 463 N GLN A 29 11.828 13.965 1.561 1.00 0.00 N ATOM 464 CA GLN A 29 12.698 14.584 0.543 1.00 0.00 C ATOM 465 C GLN A 29 11.955 14.792 -0.796 1.00 0.00 C ATOM 466 O GLN A 29 12.209 15.786 -1.484 1.00 0.00 O ATOM 467 CB GLN A 29 13.988 13.767 0.307 1.00 0.00 C ATOM 468 CG GLN A 29 15.013 13.677 1.455 1.00 0.00 C ATOM 469 CD GLN A 29 15.614 15.007 1.900 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.668 15.435 1.446 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.993 15.693 2.832 1.00 0.00 N ATOM 0 H GLN A 29 12.124 13.031 1.845 1.00 0.00 H new ATOM 0 HA GLN A 29 12.981 15.560 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.695 12.751 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.496 14.189 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.531 13.210 2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.823 13.017 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.114 15.348 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.389 16.570 3.169 1.00 0.00 H new ATOM 480 N LEU A 30 10.998 13.918 -1.155 1.00 0.00 N ATOM 481 CA LEU A 30 10.153 14.094 -2.354 1.00 0.00 C ATOM 482 C LEU A 30 9.207 15.292 -2.187 1.00 0.00 C ATOM 483 O LEU A 30 9.019 16.048 -3.139 1.00 0.00 O ATOM 484 CB LEU A 30 9.341 12.827 -2.707 1.00 0.00 C ATOM 485 CG LEU A 30 10.066 11.482 -2.551 1.00 0.00 C ATOM 486 CD1 LEU A 30 9.165 10.339 -3.017 1.00 0.00 C ATOM 487 CD2 LEU A 30 11.413 11.434 -3.275 1.00 0.00 C ATOM 0 H LEU A 30 10.787 13.072 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 30 10.835 14.284 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.449 12.808 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.004 12.915 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 30 10.285 11.366 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.691 9.391 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.255 10.325 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.906 10.484 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.872 10.457 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.259 11.602 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.068 12.208 -2.876 1.00 0.00 H new ATOM 499 N ILE A 31 8.654 15.495 -0.981 1.00 0.00 N ATOM 500 CA ILE A 31 7.834 16.676 -0.644 1.00 0.00 C ATOM 501 C ILE A 31 8.700 17.947 -0.620 1.00 0.00 C ATOM 502 O ILE A 31 8.268 19.000 -1.087 1.00 0.00 O ATOM 503 CB ILE A 31 7.096 16.507 0.711 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.420 15.134 0.929 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.045 17.618 0.893 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.452 14.688 -0.167 1.00 0.00 C ATOM 0 H ILE A 31 8.762 14.842 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 31 7.077 16.773 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 31 7.884 16.578 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.199 14.378 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.880 15.162 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.537 17.485 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.537 18.591 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.317 17.566 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.037 13.713 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.644 15.414 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.984 14.618 -1.116 1.00 0.00 H new ATOM 518 N THR A 32 9.945 17.846 -0.139 1.00 0.00 N ATOM 519 CA THR A 32 10.907 18.963 -0.039 1.00 0.00 C ATOM 520 C THR A 32 11.224 19.595 -1.400 1.00 0.00 C ATOM 521 O THR A 32 11.427 20.807 -1.473 1.00 0.00 O ATOM 522 CB THR A 32 12.195 18.501 0.667 1.00 0.00 C ATOM 523 OG1 THR A 32 11.890 18.072 1.977 1.00 0.00 O ATOM 524 CG2 THR A 32 13.242 19.602 0.830 1.00 0.00 C ATOM 0 H THR A 32 10.326 16.964 0.202 1.00 0.00 H new ATOM 0 HA THR A 32 10.434 19.741 0.561 1.00 0.00 H new ATOM 0 HB THR A 32 12.599 17.712 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.289 17.299 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.119 19.198 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.530 19.978 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.825 20.416 1.422 1.00 0.00 H new ATOM 532 N ALA A 33 11.219 18.807 -2.482 1.00 0.00 N ATOM 533 CA ALA A 33 11.453 19.292 -3.847 1.00 0.00 C ATOM 534 C ALA A 33 10.169 19.583 -4.661 1.00 0.00 C ATOM 535 O ALA A 33 10.235 20.242 -5.705 1.00 0.00 O ATOM 536 CB ALA A 33 12.337 18.253 -4.547 1.00 0.00 C ATOM 0 H ALA A 33 11.050 17.802 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 33 11.942 20.264 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.537 18.575 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.279 18.154 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.825 17.291 -4.563 1.00 0.00 H new ATOM 542 N GLN A 34 9.008 19.070 -4.232 1.00 0.00 N ATOM 543 CA GLN A 34 7.776 19.029 -5.042 1.00 0.00 C ATOM 544 C GLN A 34 6.505 19.392 -4.221 1.00 0.00 C ATOM 545 O GLN A 34 5.545 18.615 -4.232 1.00 0.00 O ATOM 546 CB GLN A 34 7.675 17.632 -5.713 1.00 0.00 C ATOM 547 CG GLN A 34 8.958 17.156 -6.421 1.00 0.00 C ATOM 548 CD GLN A 34 8.790 15.788 -7.059 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.863 15.619 -8.271 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.614 14.766 -6.250 1.00 0.00 N ATOM 0 H GLN A 34 8.893 18.666 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 34 7.832 19.795 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.404 16.899 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.863 17.652 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.238 17.880 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.776 17.121 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.555 14.917 -5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.537 13.822 -6.630 1.00 0.00 H new ATOM 559 N PRO A 35 6.448 20.523 -3.476 1.00 0.00 N ATOM 560 CA PRO A 35 5.488 20.693 -2.373 1.00 0.00 C ATOM 561 C PRO A 35 4.000 20.644 -2.738 1.00 0.00 C ATOM 562 O PRO A 35 3.184 20.282 -1.887 1.00 0.00 O ATOM 563 CB PRO A 35 5.809 22.052 -1.745 1.00 0.00 C ATOM 564 CG PRO A 35 7.284 22.259 -2.069 1.00 0.00 C ATOM 565 CD PRO A 35 7.378 21.652 -3.464 1.00 0.00 C ATOM 0 HA PRO A 35 5.614 19.839 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.191 22.844 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.632 22.048 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.562 23.313 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.935 21.752 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.113 22.384 -4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.395 21.322 -3.678 1.00 0.00 H new ATOM 573 N GLN A 36 3.628 21.000 -3.974 1.00 0.00 N ATOM 574 CA GLN A 36 2.232 21.013 -4.428 1.00 0.00 C ATOM 575 C GLN A 36 1.868 19.798 -5.306 1.00 0.00 C ATOM 576 O GLN A 36 0.725 19.689 -5.754 1.00 0.00 O ATOM 577 CB GLN A 36 1.909 22.354 -5.123 1.00 0.00 C ATOM 578 CG GLN A 36 1.459 23.462 -4.156 1.00 0.00 C ATOM 579 CD GLN A 36 2.518 23.866 -3.137 1.00 0.00 C ATOM 580 OE1 GLN A 36 3.564 24.409 -3.485 1.00 0.00 O ATOM 581 NE2 GLN A 36 2.295 23.620 -1.864 1.00 0.00 N ATOM 0 H GLN A 36 4.292 21.289 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 36 1.602 20.924 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.792 22.694 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.125 22.190 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.173 24.340 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.568 23.126 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.426 23.169 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.991 23.880 -1.165 1.00 0.00 H new ATOM 590 N ASN A 37 2.801 18.872 -5.562 1.00 0.00 N ATOM 591 CA ASN A 37 2.552 17.716 -6.427 1.00 0.00 C ATOM 592 C ASN A 37 1.858 16.559 -5.676 1.00 0.00 C ATOM 593 O ASN A 37 2.478 15.978 -4.777 1.00 0.00 O ATOM 594 CB ASN A 37 3.867 17.233 -7.055 1.00 0.00 C ATOM 595 CG ASN A 37 4.242 17.978 -8.315 1.00 0.00 C ATOM 596 OD1 ASN A 37 5.089 18.862 -8.331 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.587 17.643 -9.402 1.00 0.00 N ATOM 0 H ASN A 37 3.745 18.904 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 37 1.872 18.040 -7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.670 17.341 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.783 16.170 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.780 18.122 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.885 16.904 -9.367 1.00 0.00 H new ATOM 604 N PRO A 38 0.639 16.127 -6.069 1.00 0.00 N ATOM 605 CA PRO A 38 -0.023 14.951 -5.484 1.00 0.00 C ATOM 606 C PRO A 38 0.810 13.658 -5.515 1.00 0.00 C ATOM 607 O PRO A 38 0.614 12.801 -4.653 1.00 0.00 O ATOM 608 CB PRO A 38 -1.329 14.765 -6.263 1.00 0.00 C ATOM 609 CG PRO A 38 -1.164 15.621 -7.518 1.00 0.00 C ATOM 610 CD PRO A 38 -0.231 16.732 -7.070 1.00 0.00 C ATOM 0 HA PRO A 38 -0.182 15.137 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.491 13.718 -6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.189 15.087 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.739 15.048 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.120 16.015 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.346 17.122 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.790 17.569 -6.651 1.00 0.00 H new ATOM 618 N VAL A 39 1.757 13.522 -6.453 1.00 0.00 N ATOM 619 CA VAL A 39 2.676 12.370 -6.539 1.00 0.00 C ATOM 620 C VAL A 39 3.401 12.100 -5.212 1.00 0.00 C ATOM 621 O VAL A 39 3.406 10.965 -4.738 1.00 0.00 O ATOM 622 CB VAL A 39 3.645 12.552 -7.732 1.00 0.00 C ATOM 623 CG1 VAL A 39 4.893 13.389 -7.428 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.074 11.184 -8.272 1.00 0.00 C ATOM 0 H VAL A 39 1.911 14.216 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 39 2.086 11.473 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 39 3.080 13.113 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.510 13.460 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.593 14.389 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.464 12.914 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.756 11.322 -9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.577 10.623 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.195 10.632 -8.605 1.00 0.00 H new ATOM 634 N GLY A 40 3.912 13.141 -4.543 1.00 0.00 N ATOM 635 CA GLY A 40 4.673 12.997 -3.299 1.00 0.00 C ATOM 636 C GLY A 40 3.795 12.558 -2.128 1.00 0.00 C ATOM 637 O GLY A 40 4.142 11.619 -1.414 1.00 0.00 O ATOM 0 H GLY A 40 3.808 14.108 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.470 12.268 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.150 13.946 -3.056 1.00 0.00 H new ATOM 641 N TYR A 41 2.618 13.170 -1.975 1.00 0.00 N ATOM 642 CA TYR A 41 1.613 12.758 -0.985 1.00 0.00 C ATOM 643 C TYR A 41 1.133 11.314 -1.222 1.00 0.00 C ATOM 644 O TYR A 41 0.909 10.577 -0.266 1.00 0.00 O ATOM 645 CB TYR A 41 0.435 13.745 -1.002 1.00 0.00 C ATOM 646 CG TYR A 41 0.828 15.173 -0.657 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.926 15.585 0.688 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.136 16.083 -1.686 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.347 16.894 0.997 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.570 17.386 -1.382 1.00 0.00 C ATOM 651 CZ TYR A 41 1.684 17.796 -0.037 1.00 0.00 C ATOM 652 OH TYR A 41 2.132 19.046 0.255 1.00 0.00 O ATOM 0 H TYR A 41 2.331 13.971 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 41 2.077 12.776 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.023 13.733 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.322 13.405 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.678 14.897 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.038 15.778 -2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.412 17.209 2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.816 18.073 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 41 2.660 19.388 -0.496 1.00 0.00 H new ATOM 662 N SER A 42 1.057 10.863 -2.479 1.00 0.00 N ATOM 663 CA SER A 42 0.775 9.463 -2.811 1.00 0.00 C ATOM 664 C SER A 42 1.916 8.511 -2.425 1.00 0.00 C ATOM 665 O SER A 42 1.655 7.447 -1.857 1.00 0.00 O ATOM 666 CB SER A 42 0.446 9.343 -4.299 1.00 0.00 C ATOM 667 OG SER A 42 0.185 7.990 -4.595 1.00 0.00 O ATOM 0 H SER A 42 1.190 11.460 -3.296 1.00 0.00 H new ATOM 0 HA SER A 42 -0.087 9.156 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.420 9.958 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.278 9.708 -4.901 1.00 0.00 H new ATOM 0 HG SER A 42 -0.783 7.840 -4.611 1.00 0.00 H new ATOM 673 N ASN A 43 3.176 8.893 -2.656 1.00 0.00 N ATOM 674 CA ASN A 43 4.334 8.112 -2.202 1.00 0.00 C ATOM 675 C ASN A 43 4.406 8.060 -0.657 1.00 0.00 C ATOM 676 O ASN A 43 4.735 7.027 -0.077 1.00 0.00 O ATOM 677 CB ASN A 43 5.628 8.683 -2.822 1.00 0.00 C ATOM 678 CG ASN A 43 5.650 8.760 -4.342 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.123 9.721 -4.924 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.225 7.731 -5.034 1.00 0.00 N ATOM 0 H ASN A 43 3.422 9.745 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 43 4.220 7.083 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.790 9.684 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.468 8.070 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.291 7.738 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.828 6.923 -4.555 1.00 0.00 H new ATOM 687 N LYS A 44 4.021 9.140 0.033 1.00 0.00 N ATOM 688 CA LYS A 44 3.947 9.199 1.502 1.00 0.00 C ATOM 689 C LYS A 44 2.754 8.408 2.071 1.00 0.00 C ATOM 690 O LYS A 44 2.891 7.769 3.112 1.00 0.00 O ATOM 691 CB LYS A 44 3.984 10.678 1.924 1.00 0.00 C ATOM 692 CG LYS A 44 4.206 10.867 3.433 1.00 0.00 C ATOM 693 CD LYS A 44 4.456 12.348 3.750 1.00 0.00 C ATOM 694 CE LYS A 44 4.491 12.577 5.263 1.00 0.00 C ATOM 695 NZ LYS A 44 4.951 13.947 5.591 1.00 0.00 N ATOM 0 H LYS A 44 3.747 10.013 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 44 4.810 8.696 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.780 11.186 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.047 11.155 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.335 10.512 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.056 10.269 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.400 12.666 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.672 12.959 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.497 12.415 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.154 11.848 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.029 14.049 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.880 14.115 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.267 14.640 5.225 1.00 0.00 H new ATOM 709 N ALA A 45 1.633 8.317 1.355 1.00 0.00 N ATOM 710 CA ALA A 45 0.549 7.386 1.689 1.00 0.00 C ATOM 711 C ALA A 45 0.982 5.910 1.547 1.00 0.00 C ATOM 712 O ALA A 45 0.679 5.095 2.421 1.00 0.00 O ATOM 713 CB ALA A 45 -0.671 7.711 0.823 1.00 0.00 C ATOM 0 H ALA A 45 1.449 8.885 0.528 1.00 0.00 H new ATOM 0 HA ALA A 45 0.286 7.515 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.482 7.024 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.993 8.734 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.408 7.607 -0.230 1.00 0.00 H new ATOM 719 N MET A 46 1.755 5.578 0.502 1.00 0.00 N ATOM 720 CA MET A 46 2.420 4.273 0.350 1.00 0.00 C ATOM 721 C MET A 46 3.373 3.982 1.524 1.00 0.00 C ATOM 722 O MET A 46 3.364 2.875 2.061 1.00 0.00 O ATOM 723 CB MET A 46 3.117 4.217 -1.024 1.00 0.00 C ATOM 724 CG MET A 46 4.031 3.008 -1.259 1.00 0.00 C ATOM 725 SD MET A 46 3.286 1.364 -1.061 1.00 0.00 S ATOM 726 CE MET A 46 2.131 1.315 -2.453 1.00 0.00 C ATOM 0 H MET A 46 1.939 6.216 -0.272 1.00 0.00 H new ATOM 0 HA MET A 46 1.675 3.478 0.381 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.351 4.226 -1.800 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.707 5.125 -1.148 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.434 3.078 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.875 3.083 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.604 0.361 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.411 2.127 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.682 1.427 -3.387 1.00 0.00 H new ATOM 736 N ALA A 47 4.123 4.983 1.998 1.00 0.00 N ATOM 737 CA ALA A 47 4.967 4.856 3.186 1.00 0.00 C ATOM 738 C ALA A 47 4.165 4.495 4.452 1.00 0.00 C ATOM 739 O ALA A 47 4.536 3.580 5.188 1.00 0.00 O ATOM 740 CB ALA A 47 5.747 6.165 3.373 1.00 0.00 C ATOM 0 H ALA A 47 4.160 5.906 1.565 1.00 0.00 H new ATOM 0 HA ALA A 47 5.659 4.028 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.382 6.087 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.367 6.348 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.047 6.991 3.501 1.00 0.00 H new ATOM 746 N LEU A 48 3.034 5.167 4.688 1.00 0.00 N ATOM 747 CA LEU A 48 2.211 4.972 5.889 1.00 0.00 C ATOM 748 C LEU A 48 1.571 3.572 5.950 1.00 0.00 C ATOM 749 O LEU A 48 1.554 2.972 7.027 1.00 0.00 O ATOM 750 CB LEU A 48 1.189 6.122 5.984 1.00 0.00 C ATOM 751 CG LEU A 48 1.838 7.477 6.349 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.899 8.640 6.034 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.199 7.552 7.835 1.00 0.00 C ATOM 0 H LEU A 48 2.660 5.867 4.047 1.00 0.00 H new ATOM 0 HA LEU A 48 2.849 5.009 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.670 6.219 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.437 5.872 6.733 1.00 0.00 H new ATOM 0 HG LEU A 48 2.745 7.552 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.382 9.580 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.666 8.641 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.022 8.530 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.652 8.519 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.297 7.432 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.905 6.758 8.078 1.00 0.00 H new ATOM 765 N ILE A 49 1.149 2.983 4.820 1.00 0.00 N ATOM 766 CA ILE A 49 0.691 1.576 4.797 1.00 0.00 C ATOM 767 C ILE A 49 1.840 0.568 4.968 1.00 0.00 C ATOM 768 O ILE A 49 1.622 -0.504 5.536 1.00 0.00 O ATOM 769 CB ILE A 49 -0.179 1.234 3.563 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.574 1.337 2.219 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.430 2.122 3.545 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.217 0.815 1.011 1.00 0.00 C ATOM 0 H ILE A 49 1.114 3.451 3.914 1.00 0.00 H new ATOM 0 HA ILE A 49 0.046 1.479 5.671 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.462 0.186 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.838 2.380 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.508 0.780 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.038 1.876 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.010 1.952 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.132 3.169 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.384 0.924 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.459 -0.237 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.139 1.387 0.905 1.00 0.00 H new ATOM 784 N LYS A 50 3.068 0.905 4.545 1.00 0.00 N ATOM 785 CA LYS A 50 4.252 0.034 4.677 1.00 0.00 C ATOM 786 C LYS A 50 4.925 0.093 6.058 1.00 0.00 C ATOM 787 O LYS A 50 5.581 -0.874 6.443 1.00 0.00 O ATOM 788 CB LYS A 50 5.234 0.303 3.515 1.00 0.00 C ATOM 789 CG LYS A 50 5.732 -0.976 2.814 1.00 0.00 C ATOM 790 CD LYS A 50 4.633 -1.805 2.125 1.00 0.00 C ATOM 791 CE LYS A 50 3.951 -1.016 1.005 1.00 0.00 C ATOM 792 NZ LYS A 50 2.839 -1.774 0.398 1.00 0.00 N ATOM 0 H LYS A 50 3.272 1.798 4.097 1.00 0.00 H new ATOM 0 HA LYS A 50 3.904 -0.996 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.746 0.943 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.093 0.855 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.478 -0.698 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.234 -1.604 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.067 -2.717 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.889 -2.108 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.574 -0.073 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.684 -0.768 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.403 -1.206 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.202 -2.662 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.127 -1.989 1.125 1.00 0.00 H new ATOM 806 N LEU A 51 4.693 1.162 6.825 1.00 0.00 N ATOM 807 CA LEU A 51 4.977 1.252 8.268 1.00 0.00 C ATOM 808 C LEU A 51 3.848 0.585 9.085 1.00 0.00 C ATOM 809 O LEU A 51 4.094 -0.025 10.131 1.00 0.00 O ATOM 810 CB LEU A 51 5.162 2.747 8.618 1.00 0.00 C ATOM 811 CG LEU A 51 6.109 3.053 9.799 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.289 4.566 9.932 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.620 2.535 11.149 1.00 0.00 C ATOM 0 H LEU A 51 4.289 2.020 6.450 1.00 0.00 H new ATOM 0 HA LEU A 51 5.890 0.714 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.537 3.263 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.183 3.171 8.843 1.00 0.00 H new ATOM 0 HG LEU A 51 7.040 2.538 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.957 4.781 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.717 4.964 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.321 5.033 10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.344 2.793 11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.658 2.990 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.508 1.452 11.104 1.00 0.00 H new ATOM 825 N GLY A 52 2.611 0.660 8.583 1.00 0.00 N ATOM 826 CA GLY A 52 1.424 0.014 9.155 1.00 0.00 C ATOM 827 C GLY A 52 0.484 0.954 9.918 1.00 0.00 C ATOM 828 O GLY A 52 -0.305 0.496 10.740 1.00 0.00 O ATOM 0 H GLY A 52 2.401 1.191 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.864 -0.462 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.749 -0.778 9.830 1.00 0.00 H new ATOM 832 N GLU A 53 0.540 2.264 9.668 1.00 0.00 N ATOM 833 CA GLU A 53 -0.362 3.274 10.252 1.00 0.00 C ATOM 834 C GLU A 53 -1.516 3.574 9.282 1.00 0.00 C ATOM 835 O GLU A 53 -1.715 4.700 8.823 1.00 0.00 O ATOM 836 CB GLU A 53 0.410 4.514 10.749 1.00 0.00 C ATOM 837 CG GLU A 53 1.664 4.199 11.582 1.00 0.00 C ATOM 838 CD GLU A 53 1.412 3.330 12.825 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.371 3.488 13.508 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.308 2.532 13.194 1.00 0.00 O ATOM 0 H GLU A 53 1.232 2.669 9.037 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.824 2.872 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.704 5.112 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.263 5.128 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.389 3.694 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.118 5.138 11.899 1.00 0.00 H new ATOM 848 N TYR A 54 -2.262 2.522 8.928 1.00 0.00 N ATOM 849 CA TYR A 54 -3.313 2.545 7.900 1.00 0.00 C ATOM 850 C TYR A 54 -4.366 3.635 8.156 1.00 0.00 C ATOM 851 O TYR A 54 -4.776 4.320 7.220 1.00 0.00 O ATOM 852 CB TYR A 54 -3.988 1.165 7.803 1.00 0.00 C ATOM 853 CG TYR A 54 -3.048 -0.020 7.911 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.261 -0.419 6.815 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.953 -0.712 9.133 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.373 -1.505 6.945 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.079 -1.805 9.261 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.284 -2.206 8.167 1.00 0.00 C ATOM 859 OH TYR A 54 -0.413 -3.242 8.293 1.00 0.00 O ATOM 0 H TYR A 54 -2.150 1.605 9.360 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.830 2.785 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.737 1.088 8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.518 1.103 6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.338 0.107 5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.554 -0.402 9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.759 -1.802 6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.016 -2.338 10.198 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.476 -3.614 9.197 1.00 0.00 H new ATOM 869 N THR A 55 -4.734 3.873 9.420 1.00 0.00 N ATOM 870 CA THR A 55 -5.697 4.916 9.822 1.00 0.00 C ATOM 871 C THR A 55 -5.188 6.335 9.524 1.00 0.00 C ATOM 872 O THR A 55 -5.991 7.248 9.325 1.00 0.00 O ATOM 873 CB THR A 55 -6.029 4.779 11.317 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.275 3.429 11.640 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.288 5.532 11.730 1.00 0.00 C ATOM 0 H THR A 55 -4.368 3.340 10.209 1.00 0.00 H new ATOM 0 HA THR A 55 -6.599 4.766 9.228 1.00 0.00 H new ATOM 0 HB THR A 55 -5.165 5.192 11.837 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.484 3.354 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.462 5.392 12.797 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.162 6.594 11.519 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.141 5.149 11.170 1.00 0.00 H new ATOM 883 N GLN A 56 -3.866 6.522 9.417 1.00 0.00 N ATOM 884 CA GLN A 56 -3.250 7.783 8.972 1.00 0.00 C ATOM 885 C GLN A 56 -3.104 7.841 7.443 1.00 0.00 C ATOM 886 O GLN A 56 -3.200 8.912 6.839 1.00 0.00 O ATOM 887 CB GLN A 56 -1.880 7.992 9.636 1.00 0.00 C ATOM 888 CG GLN A 56 -1.795 7.527 11.094 1.00 0.00 C ATOM 889 CD GLN A 56 -2.850 8.080 12.041 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.528 9.067 11.804 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.041 7.410 13.151 1.00 0.00 N ATOM 0 H GLN A 56 -3.185 5.796 9.639 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.919 8.587 9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.126 7.461 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.628 9.052 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.857 6.439 11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.812 7.796 11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.476 6.585 13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.754 7.714 13.814 1.00 0.00 H new ATOM 900 N ALA A 57 -2.897 6.688 6.800 1.00 0.00 N ATOM 901 CA ALA A 57 -2.796 6.579 5.346 1.00 0.00 C ATOM 902 C ALA A 57 -4.128 6.900 4.646 1.00 0.00 C ATOM 903 O ALA A 57 -4.124 7.605 3.637 1.00 0.00 O ATOM 904 CB ALA A 57 -2.302 5.179 4.978 1.00 0.00 C ATOM 0 H ALA A 57 -2.794 5.795 7.282 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.078 7.320 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.225 5.093 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.323 5.009 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.006 4.435 5.352 1.00 0.00 H new ATOM 910 N ILE A 58 -5.268 6.451 5.189 1.00 0.00 N ATOM 911 CA ILE A 58 -6.597 6.759 4.627 1.00 0.00 C ATOM 912 C ILE A 58 -6.894 8.268 4.643 1.00 0.00 C ATOM 913 O ILE A 58 -7.386 8.804 3.649 1.00 0.00 O ATOM 914 CB ILE A 58 -7.719 5.926 5.296 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.900 6.220 6.801 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.467 4.424 5.057 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.040 5.437 7.468 1.00 0.00 C ATOM 0 H ILE A 58 -5.299 5.867 6.025 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.576 6.460 3.579 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.655 6.225 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.968 5.992 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.084 7.287 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.259 3.843 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.459 4.222 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.505 4.144 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.096 5.704 8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.984 5.682 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.851 4.368 7.374 1.00 0.00 H new ATOM 929 N GLN A 59 -6.494 8.973 5.709 1.00 0.00 N ATOM 930 CA GLN A 59 -6.569 10.436 5.792 1.00 0.00 C ATOM 931 C GLN A 59 -5.666 11.098 4.742 1.00 0.00 C ATOM 932 O GLN A 59 -6.120 11.993 4.032 1.00 0.00 O ATOM 933 CB GLN A 59 -6.265 10.881 7.229 1.00 0.00 C ATOM 934 CG GLN A 59 -6.123 12.406 7.411 1.00 0.00 C ATOM 935 CD GLN A 59 -4.706 12.923 7.154 1.00 0.00 C ATOM 936 OE1 GLN A 59 -3.725 12.387 7.655 1.00 0.00 O ATOM 937 NE2 GLN A 59 -4.522 13.969 6.383 1.00 0.00 N ATOM 0 H GLN A 59 -6.105 8.539 6.546 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.580 10.769 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.060 10.523 7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.343 10.401 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.813 12.910 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.420 12.672 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.322 14.433 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.579 14.318 6.213 1.00 0.00 H new ATOM 946 N MET A 60 -4.426 10.625 4.568 1.00 0.00 N ATOM 947 CA MET A 60 -3.529 11.169 3.542 1.00 0.00 C ATOM 948 C MET A 60 -4.032 10.914 2.109 1.00 0.00 C ATOM 949 O MET A 60 -3.839 11.757 1.235 1.00 0.00 O ATOM 950 CB MET A 60 -2.100 10.656 3.752 1.00 0.00 C ATOM 951 CG MET A 60 -1.128 11.387 2.815 1.00 0.00 C ATOM 952 SD MET A 60 0.613 11.309 3.295 1.00 0.00 S ATOM 953 CE MET A 60 0.582 12.454 4.703 1.00 0.00 C ATOM 0 H MET A 60 -4.022 9.870 5.122 1.00 0.00 H new ATOM 0 HA MET A 60 -3.522 12.253 3.659 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.800 10.809 4.789 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.060 9.583 3.563 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.231 10.969 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.425 12.434 2.755 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.394 13.175 4.604 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.372 12.982 4.722 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.705 11.894 5.630 1.00 0.00 H new ATOM 963 N CYS A 61 -4.741 9.808 1.855 1.00 0.00 N ATOM 964 CA CYS A 61 -5.354 9.565 0.546 1.00 0.00 C ATOM 965 C CYS A 61 -6.524 10.527 0.275 1.00 0.00 C ATOM 966 O CYS A 61 -6.587 11.109 -0.807 1.00 0.00 O ATOM 967 CB CYS A 61 -5.754 8.088 0.399 1.00 0.00 C ATOM 968 SG CYS A 61 -4.299 7.017 0.542 1.00 0.00 S ATOM 0 H CYS A 61 -4.904 9.068 2.538 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.610 9.775 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.483 7.825 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.235 7.930 -0.566 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.893 6.999 1.777 1.00 0.00 H new ATOM 974 N GLN A 62 -7.392 10.778 1.262 1.00 0.00 N ATOM 975 CA GLN A 62 -8.453 11.797 1.166 1.00 0.00 C ATOM 976 C GLN A 62 -7.877 13.211 0.984 1.00 0.00 C ATOM 977 O GLN A 62 -8.359 13.968 0.139 1.00 0.00 O ATOM 978 CB GLN A 62 -9.334 11.741 2.426 1.00 0.00 C ATOM 979 CG GLN A 62 -10.167 10.452 2.529 1.00 0.00 C ATOM 980 CD GLN A 62 -10.844 10.288 3.890 1.00 0.00 C ATOM 981 OE1 GLN A 62 -10.826 11.157 4.755 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.464 9.157 4.134 1.00 0.00 N ATOM 0 H GLN A 62 -7.382 10.281 2.153 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.054 11.576 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.700 11.827 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.005 12.600 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.928 10.454 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.522 9.593 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.487 8.425 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.922 9.010 5.033 1.00 0.00 H new ATOM 991 N GLN A 63 -6.805 13.541 1.710 1.00 0.00 N ATOM 992 CA GLN A 63 -6.046 14.782 1.549 1.00 0.00 C ATOM 993 C GLN A 63 -5.414 14.887 0.153 1.00 0.00 C ATOM 994 O GLN A 63 -5.327 15.983 -0.389 1.00 0.00 O ATOM 995 CB GLN A 63 -4.996 14.850 2.674 1.00 0.00 C ATOM 996 CG GLN A 63 -4.085 16.091 2.661 1.00 0.00 C ATOM 997 CD GLN A 63 -2.690 15.789 2.111 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.526 15.712 0.807 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -1.733 15.596 2.850 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.433 12.937 2.443 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.715 15.639 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.514 14.812 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.369 13.961 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.549 16.871 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.995 16.482 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.850 15.653 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.819 15.378 2.454 1.00 0.00 H new ATOM 1008 N GLY A 64 -4.969 13.787 -0.460 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.393 13.794 -1.809 1.00 0.00 C ATOM 1010 C GLY A 64 -5.423 13.917 -2.936 1.00 0.00 C ATOM 1011 O GLY A 64 -5.126 14.566 -3.934 1.00 0.00 O ATOM 0 H GLY A 64 -4.998 12.861 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.688 14.622 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.823 12.876 -1.952 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.654 13.415 -2.765 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.757 13.668 -3.714 1.00 0.00 C ATOM 1017 C LEU A 65 -8.065 15.173 -3.852 1.00 0.00 C ATOM 1018 O LEU A 65 -8.406 15.623 -4.945 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.013 12.876 -3.301 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.886 11.346 -3.444 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.174 10.676 -2.964 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.620 10.894 -4.883 1.00 0.00 C ATOM 0 H LEU A 65 -6.916 12.827 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.437 13.320 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.250 13.112 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.855 13.215 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.030 11.051 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.082 9.595 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.347 10.928 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.013 11.027 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.541 9.807 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.441 11.217 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.688 11.336 -5.237 1.00 0.00 H new ATOM 1034 N ARG A 66 -7.845 15.981 -2.801 1.00 0.00 N ATOM 1035 CA ARG A 66 -7.975 17.456 -2.867 1.00 0.00 C ATOM 1036 C ARG A 66 -6.973 18.138 -3.818 1.00 0.00 C ATOM 1037 O ARG A 66 -7.211 19.274 -4.221 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.890 18.084 -1.461 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.010 17.628 -0.512 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.912 18.339 0.844 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.088 18.073 1.699 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.130 18.871 1.877 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -11.300 19.990 1.235 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.070 18.580 2.723 1.00 0.00 N ATOM 0 H ARG A 66 -7.572 15.636 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.963 17.637 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.926 17.833 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.925 19.169 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.980 17.834 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.949 16.550 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.009 18.012 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.817 19.413 0.683 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.098 17.186 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.608 20.295 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.125 20.562 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.016 17.720 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.862 19.211 2.842 1.00 0.00 H new ATOM 1058 N TYR A 67 -5.891 17.471 -4.232 1.00 0.00 N ATOM 1059 CA TYR A 67 -4.871 17.998 -5.157 1.00 0.00 C ATOM 1060 C TYR A 67 -5.157 17.649 -6.636 1.00 0.00 C ATOM 1061 O TYR A 67 -4.230 17.340 -7.387 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.470 17.546 -4.691 1.00 0.00 C ATOM 1063 CG TYR A 67 -2.932 18.271 -3.476 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.293 17.857 -2.182 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.053 19.358 -3.646 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.828 18.569 -1.056 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.556 20.046 -2.524 1.00 0.00 C ATOM 1068 CZ TYR A 67 -1.958 19.668 -1.224 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.529 20.375 -0.142 1.00 0.00 O ATOM 0 H TYR A 67 -5.691 16.519 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.909 19.087 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.504 16.479 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.769 17.681 -5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.927 16.993 -2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.760 19.664 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.138 18.273 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.865 20.865 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.936 21.097 -0.437 1.00 0.00 H new ATOM 1079 N THR A 68 -6.427 17.598 -7.065 1.00 0.00 N ATOM 1080 CA THR A 68 -6.805 16.990 -8.361 1.00 0.00 C ATOM 1081 C THR A 68 -7.962 17.706 -9.075 1.00 0.00 C ATOM 1082 O THR A 68 -8.968 18.053 -8.447 1.00 0.00 O ATOM 1083 CB THR A 68 -7.134 15.485 -8.187 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.401 15.296 -7.608 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.131 14.727 -7.316 1.00 0.00 C ATOM 0 H THR A 68 -7.215 17.970 -6.536 1.00 0.00 H new ATOM 0 HA THR A 68 -5.932 17.106 -9.004 1.00 0.00 H new ATOM 0 HB THR A 68 -7.095 15.087 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.396 15.639 -6.690 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.430 13.681 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.139 14.790 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.108 15.169 -6.320 1.00 0.00 H new ATOM 1093 N SER A 69 -7.849 17.886 -10.402 1.00 0.00 N ATOM 1094 CA SER A 69 -8.981 18.220 -11.293 1.00 0.00 C ATOM 1095 C SER A 69 -8.696 17.991 -12.791 1.00 0.00 C ATOM 1096 O SER A 69 -9.484 17.343 -13.481 1.00 0.00 O ATOM 1097 CB SER A 69 -9.412 19.683 -11.100 1.00 0.00 C ATOM 1098 OG SER A 69 -10.634 19.903 -11.778 1.00 0.00 O ATOM 0 H SER A 69 -6.960 17.803 -10.895 1.00 0.00 H new ATOM 0 HA SER A 69 -9.777 17.534 -11.004 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.527 19.903 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.644 20.354 -11.484 1.00 0.00 H new ATOM 0 HG SER A 69 -10.913 20.835 -11.656 1.00 0.00 H new ATOM 1104 N THR A 70 -7.576 18.512 -13.310 1.00 0.00 N ATOM 1105 CA THR A 70 -7.247 18.480 -14.752 1.00 0.00 C ATOM 1106 C THR A 70 -6.551 17.174 -15.179 1.00 0.00 C ATOM 1107 O THR A 70 -6.247 16.318 -14.345 1.00 0.00 O ATOM 1108 CB THR A 70 -6.436 19.722 -15.166 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.191 19.763 -14.512 1.00 0.00 O ATOM 1110 CG2 THR A 70 -7.141 21.032 -14.832 1.00 0.00 C ATOM 0 H THR A 70 -6.864 18.972 -12.742 1.00 0.00 H new ATOM 0 HA THR A 70 -8.195 18.505 -15.289 1.00 0.00 H new ATOM 0 HB THR A 70 -6.318 19.629 -16.246 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.698 20.561 -14.796 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.520 21.870 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.098 21.073 -15.352 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.310 21.090 -13.757 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.281 16.989 -16.477 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.805 15.717 -17.041 1.00 0.00 C ATOM 1120 C ALA A 71 -4.386 15.279 -16.600 1.00 0.00 C ATOM 1121 O ALA A 71 -4.021 14.112 -16.792 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.943 15.775 -18.566 1.00 0.00 C ATOM 0 H ALA A 71 -6.388 17.726 -17.174 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.440 14.933 -16.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.594 14.838 -18.999 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.989 15.929 -18.831 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.345 16.599 -18.954 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.610 16.146 -15.936 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.369 15.760 -15.233 1.00 0.00 C ATOM 1130 C GLU A 72 -2.621 15.131 -13.843 1.00 0.00 C ATOM 1131 O GLU A 72 -1.678 14.682 -13.186 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.349 16.919 -15.210 1.00 0.00 C ATOM 1133 CG GLU A 72 -1.703 18.085 -14.287 1.00 0.00 C ATOM 1134 CD GLU A 72 -0.738 19.265 -14.477 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.271 19.380 -13.737 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -0.969 20.080 -15.406 1.00 0.00 O ATOM 0 H GLU A 72 -3.823 17.141 -15.868 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.915 14.957 -15.814 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.379 16.521 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.236 17.302 -16.224 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.723 18.412 -14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.672 17.752 -13.250 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.882 15.036 -13.402 1.00 0.00 N ATOM 1145 CA HIS A 73 -4.289 14.472 -12.104 1.00 0.00 C ATOM 1146 C HIS A 73 -5.245 13.266 -12.204 1.00 0.00 C ATOM 1147 O HIS A 73 -5.510 12.629 -11.190 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.935 15.558 -11.225 1.00 0.00 C ATOM 1149 CG HIS A 73 -4.163 16.848 -11.115 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -3.386 17.278 -10.065 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -4.171 17.857 -12.032 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -2.911 18.496 -10.367 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -3.374 18.899 -11.559 1.00 0.00 N ATOM 0 H HIS A 73 -4.675 15.360 -13.956 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.369 14.102 -11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.926 15.780 -11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.077 15.153 -10.223 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.706 17.850 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.248 19.071 -9.738 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.182 19.786 -12.025 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.796 12.917 -13.373 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.831 11.857 -13.458 1.00 0.00 C ATOM 1164 C VAL A 74 -6.294 10.450 -13.157 1.00 0.00 C ATOM 1165 O VAL A 74 -7.014 9.661 -12.541 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.607 11.893 -14.789 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -8.413 13.193 -14.901 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -6.708 11.753 -16.025 1.00 0.00 C ATOM 0 H VAL A 74 -5.552 13.342 -14.268 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.539 12.090 -12.663 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.271 11.029 -14.772 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.956 13.204 -15.846 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.121 13.254 -14.075 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.735 14.046 -14.862 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.320 11.787 -16.926 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.987 12.571 -16.045 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.177 10.802 -15.983 1.00 0.00 H new ATOM 1178 N ALA A 75 -5.027 10.155 -13.468 1.00 0.00 N ATOM 1179 CA ALA A 75 -4.350 8.968 -12.935 1.00 0.00 C ATOM 1180 C ALA A 75 -3.979 9.144 -11.453 1.00 0.00 C ATOM 1181 O ALA A 75 -4.147 8.209 -10.670 1.00 0.00 O ATOM 1182 CB ALA A 75 -3.125 8.637 -13.790 1.00 0.00 C ATOM 0 H ALA A 75 -4.449 10.723 -14.087 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.041 8.126 -12.984 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.628 7.754 -13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.439 8.441 -14.815 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.434 9.480 -13.777 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.561 10.345 -11.027 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.280 10.638 -9.611 1.00 0.00 C ATOM 1190 C ILE A 76 -4.486 10.374 -8.692 1.00 0.00 C ATOM 1191 O ILE A 76 -4.303 9.916 -7.567 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.660 12.047 -9.423 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.315 11.955 -8.680 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.527 13.030 -8.626 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.163 11.411 -9.510 1.00 0.00 C ATOM 0 H ILE A 76 -3.408 11.138 -11.650 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.520 9.926 -9.290 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.555 12.425 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.047 12.948 -8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.443 11.321 -7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.012 13.987 -8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.479 13.172 -9.137 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.706 12.630 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.742 11.383 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.403 10.403 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.001 12.056 -10.374 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.719 10.582 -9.179 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.959 10.254 -8.458 1.00 0.00 C ATOM 1209 C ARG A 77 -7.074 8.753 -8.166 1.00 0.00 C ATOM 1210 O ARG A 77 -7.328 8.387 -7.015 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.178 10.806 -9.225 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.311 12.328 -9.097 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.719 12.869 -9.371 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.232 12.535 -10.710 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.167 13.190 -11.372 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.702 14.300 -10.944 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.573 12.715 -12.507 1.00 0.00 N ATOM 0 H ARG A 77 -5.885 10.989 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.931 10.741 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.092 10.539 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.085 10.332 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.012 12.623 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.613 12.800 -9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.403 12.473 -8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.711 13.953 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.826 11.720 -11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.400 14.703 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.422 14.765 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.171 11.851 -12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.295 13.205 -13.036 1.00 0.00 H new ATOM 1231 N SER A 78 -6.780 7.885 -9.138 1.00 0.00 N ATOM 1232 CA SER A 78 -6.646 6.434 -8.904 1.00 0.00 C ATOM 1233 C SER A 78 -5.447 6.119 -8.001 1.00 0.00 C ATOM 1234 O SER A 78 -5.563 5.323 -7.072 1.00 0.00 O ATOM 1235 CB SER A 78 -6.532 5.685 -10.237 1.00 0.00 C ATOM 1236 OG SER A 78 -6.328 4.295 -10.030 1.00 0.00 O ATOM 0 H SER A 78 -6.628 8.161 -10.108 1.00 0.00 H new ATOM 0 HA SER A 78 -7.544 6.094 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.439 5.839 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.705 6.094 -10.817 1.00 0.00 H new ATOM 0 HG SER A 78 -6.260 3.842 -10.896 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.329 6.830 -8.169 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.112 6.712 -7.350 1.00 0.00 C ATOM 1244 C LYS A 79 -3.238 7.309 -5.933 1.00 0.00 C ATOM 1245 O LYS A 79 -2.254 7.302 -5.197 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.938 7.236 -8.195 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.510 6.956 -7.698 1.00 0.00 C ATOM 1248 CD LYS A 79 0.493 6.660 -8.829 1.00 0.00 C ATOM 1249 CE LYS A 79 0.412 7.614 -10.032 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.264 7.148 -11.148 1.00 0.00 N ATOM 0 H LYS A 79 -4.240 7.530 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.924 5.666 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.032 6.814 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.052 8.316 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.158 7.816 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.533 6.108 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.502 6.700 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.332 5.641 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.622 7.691 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.723 8.613 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.187 7.813 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.254 7.099 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.951 6.205 -11.453 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.432 7.739 -5.501 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.832 7.794 -4.081 1.00 0.00 C ATOM 1266 C LEU A 80 -5.994 6.827 -3.752 1.00 0.00 C ATOM 1267 O LEU A 80 -6.000 6.250 -2.668 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.126 9.245 -3.611 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.935 10.171 -3.272 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.829 9.488 -2.466 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.306 10.813 -4.509 1.00 0.00 C ATOM 0 H LEU A 80 -5.161 8.064 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.973 7.445 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.712 9.732 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.760 9.184 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.386 10.945 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.029 10.202 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.237 9.128 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.432 8.647 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.476 11.451 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.939 10.034 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.054 11.413 -5.028 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.941 6.568 -4.664 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.055 5.630 -4.416 1.00 0.00 C ATOM 1285 C GLN A 81 -7.623 4.157 -4.300 1.00 0.00 C ATOM 1286 O GLN A 81 -8.063 3.476 -3.377 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.154 5.825 -5.477 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.097 6.965 -5.066 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.832 7.587 -6.246 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.954 7.231 -6.587 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.221 8.543 -6.903 1.00 0.00 N ATOM 0 H GLN A 81 -6.961 6.997 -5.589 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.459 5.875 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.701 6.049 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.720 4.901 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.826 6.585 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.522 7.738 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.287 8.840 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.680 8.990 -7.697 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.701 3.657 -5.132 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.170 2.296 -4.967 1.00 0.00 C ATOM 1302 C TYR A 82 -5.341 2.175 -3.676 1.00 0.00 C ATOM 1303 O TYR A 82 -5.417 1.157 -2.994 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.399 1.840 -6.222 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.909 1.612 -6.029 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.452 0.411 -5.451 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.984 2.604 -6.399 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.077 0.207 -5.224 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.608 2.404 -6.177 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.152 1.209 -5.580 1.00 0.00 C ATOM 1311 OH TYR A 82 0.172 1.043 -5.314 1.00 0.00 O ATOM 0 H TYR A 82 -6.309 4.170 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.011 1.611 -4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.846 0.915 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.536 2.588 -7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.160 -0.358 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.329 3.521 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.732 -0.715 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.900 3.167 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 82 0.694 1.226 -6.123 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.617 3.235 -3.277 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.886 3.280 -1.994 1.00 0.00 C ATOM 1323 C ARG A 83 -4.846 3.135 -0.805 1.00 0.00 C ATOM 1324 O ARG A 83 -4.508 2.467 0.165 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.110 4.596 -1.824 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.206 5.079 -2.964 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.902 4.292 -3.185 1.00 0.00 C ATOM 1328 NE ARG A 83 0.060 5.129 -3.931 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.128 4.803 -4.636 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.485 3.597 -4.962 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.894 5.756 -5.061 1.00 0.00 N ATOM 0 H ARG A 83 -4.521 4.085 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.184 2.446 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.837 5.383 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.491 4.500 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.781 5.054 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.948 6.121 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.476 3.997 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.108 3.375 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.134 6.130 -3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.919 2.801 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.331 3.447 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.665 6.727 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.726 5.536 -5.608 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.046 3.715 -0.891 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.117 3.588 0.104 1.00 0.00 C ATOM 1347 C LEU A 84 -7.735 2.182 0.124 1.00 0.00 C ATOM 1348 O LEU A 84 -7.968 1.622 1.197 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.149 4.686 -0.209 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.410 4.739 0.672 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.100 4.820 2.159 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.188 5.996 0.287 1.00 0.00 C ATOM 0 H LEU A 84 -6.309 4.305 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.720 3.722 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.647 5.651 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.466 4.566 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.971 3.820 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.032 4.854 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.526 3.943 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.520 5.720 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.091 6.065 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.567 6.875 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.462 5.946 -0.767 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.951 1.569 -1.041 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.356 0.155 -1.143 1.00 0.00 C ATOM 1366 C GLU A 85 -7.280 -0.810 -0.606 1.00 0.00 C ATOM 1367 O GLU A 85 -7.618 -1.851 -0.035 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.722 -0.209 -2.590 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.992 0.502 -3.078 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.497 -0.079 -4.403 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.642 -0.597 -4.442 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -9.783 -0.012 -5.430 1.00 0.00 O ATOM 0 H GLU A 85 -7.852 2.034 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.238 0.039 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.891 0.050 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.863 -1.287 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.772 0.413 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.788 1.566 -3.202 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.993 -0.462 -0.718 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.879 -1.257 -0.189 1.00 0.00 C ATOM 1382 C LEU A 86 -4.503 -0.942 1.257 1.00 0.00 C ATOM 1383 O LEU A 86 -4.001 -1.831 1.932 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.657 -1.180 -1.124 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.505 -2.405 -2.041 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.155 -3.670 -1.253 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.741 -2.642 -2.909 1.00 0.00 C ATOM 0 H LEU A 86 -5.692 0.393 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.240 -2.285 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.737 -0.284 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.755 -1.074 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.673 -2.178 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.057 -4.511 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.213 -3.521 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.945 -3.880 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.582 -3.518 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.608 -2.807 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.915 -1.770 -3.540 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.812 0.237 1.797 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.754 0.471 3.241 1.00 0.00 C ATOM 1401 C ALA A 87 -5.755 -0.447 3.969 1.00 0.00 C ATOM 1402 O ALA A 87 -5.431 -1.051 4.991 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.051 1.954 3.513 1.00 0.00 C ATOM 0 H ALA A 87 -5.106 1.049 1.254 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.760 0.235 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.011 2.142 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.309 2.572 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.044 2.201 3.138 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.946 -0.616 3.385 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.973 -1.554 3.850 1.00 0.00 C ATOM 1411 C GLN A 88 -7.584 -3.024 3.580 1.00 0.00 C ATOM 1412 O GLN A 88 -7.886 -3.896 4.391 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.313 -1.165 3.204 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.792 0.218 3.687 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.009 0.716 2.924 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.148 0.571 3.347 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.816 1.329 1.781 1.00 0.00 N ATOM 0 H GLN A 88 -7.229 -0.092 2.557 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.069 -1.484 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.206 -1.156 2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.066 -1.916 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.031 0.165 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.980 0.938 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.869 1.453 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.613 1.682 1.250 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.844 -3.289 2.498 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.273 -4.603 2.160 1.00 0.00 C ATOM 1428 C GLY A 89 -5.173 -5.061 3.128 1.00 0.00 C ATOM 1429 O GLY A 89 -5.173 -6.187 3.631 1.00 0.00 O ATOM 0 H GLY A 89 -6.617 -2.572 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.071 -5.346 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.864 -4.564 1.150 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.240 -4.155 3.421 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.066 -4.395 4.246 1.00 0.00 C ATOM 1435 C ALA A 90 -3.391 -4.491 5.744 1.00 0.00 C ATOM 1436 O ALA A 90 -2.676 -5.196 6.461 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.047 -3.287 3.956 1.00 0.00 C ATOM 0 H ALA A 90 -4.288 -3.197 3.074 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.649 -5.368 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.156 -3.444 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.776 -3.309 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.484 -2.318 4.198 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.477 -3.858 6.217 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.920 -4.015 7.616 1.00 0.00 C ATOM 1445 C VAL A 91 -5.626 -5.359 7.862 1.00 0.00 C ATOM 1446 O VAL A 91 -5.438 -5.948 8.927 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.734 -2.799 8.110 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.149 -2.720 7.531 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.831 -2.773 9.639 1.00 0.00 C ATOM 0 H VAL A 91 -5.062 -3.237 5.658 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.020 -4.041 8.230 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.179 -1.933 7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.655 -1.839 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.094 -2.650 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.706 -3.614 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.410 -1.904 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.322 -3.682 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.830 -2.715 10.066 1.00 0.00 H new