USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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: B 209 SEP H2 : B 209 SEP N : B 208 TYR C :(H bumps) USER MOD NoAdj-H: B 209 SEP H : B 209 SEP N : B 208 TYR C :(H bumps) USER MOD Set 1.1: A 23 SER OG : rot -170:sc= 1.02 USER MOD Set 1.2: A 26 SER OG : rot -160:sc= 1.3 USER MOD Set 1.3: A 27 LYS NZ :NH3+ -134:sc= 1.91 (180deg=0) USER MOD Set 1.4: A 65 ASN : amide:sc= 0.378 K(o=6.1,f=4.6) USER MOD Set 1.5: A 66 HIS : no HD1:sc= 0.489 K(o=6.1,f=-3.3) USER MOD Set 1.6: B 208 TYR OH : rot 14:sc= 0.388 USER MOD Set 1.7: B 214 SER OG : rot -46:sc= 0.624 USER MOD Set 2.1: A 53 ASN : amide:sc= 0.0428 K(o=0.15,f=-3!) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0.11 USER MOD Set 3.1: A 13 ASN : amide:sc= 1.93 K(o=2.6,f=-1.8!) USER MOD Set 3.2: A 46 TYR OH : rot 180:sc= 0.693 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 9 THR OG1 : rot -150:sc= 0.133 USER MOD Single : A 10 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.193 USER MOD Single : A 18 SER OG : rot -175:sc= 1.26 USER MOD Single : A 19 GLN : amide:sc= 1.12 K(o=1.1,f=-0.097) USER MOD Single : A 21 SER OG : rot 140:sc= 0.182 USER MOD Single : A 24 SER OG : rot 85:sc= 1.34 USER MOD Single : A 32 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.03) USER MOD Single : A 42 MET CE :methyl -132:sc= -0.102 (180deg=-1.53) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 161:sc= -0.783 (180deg=-1.35) USER MOD Single : A 51 SER OG : rot -140:sc= 0.113 USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 1.09 (180deg=0.0895!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -123:sc= -0.134 (180deg=-0.619) USER MOD Single : A 69 GLN : amide:sc= 0.798 K(o=0.8,f=-0.47) USER MOD Single : A 70 GLN : amide:sc= -0.185 K(o=-0.19,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.23) USER MOD Single : A 74 GLN : amide:sc=-0.00681 K(o=-0.0068,f=-0.56) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.271 K(o=0.27,f=-3.7!) USER MOD Single : A 80 GLN : amide:sc= 0.604 K(o=0.6,f=-1.2!) USER MOD Single : A 82 SER OG : rot 77:sc= 1.2 USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= 1.31 (180deg=0.985) USER MOD Single : A 95 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.37) USER MOD Single : A 96 GLN : amide:sc= 1.18 K(o=1.2,f=-0.018) USER MOD Single : A 103 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0451) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 130:sc= 1.24 (180deg=0.808) USER MOD Single : A 107 SER OG : rot 55:sc= 1.34 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 120 SER OG : rot 180:sc= 0.147 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.2!) USER MOD Single : A 125 ASN : amide:sc= 1.03 K(o=1,f=-4.2!) USER MOD Single : A 130 SER OG : rot 91:sc= 1.26 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 207 SER OG : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 88:sc= 1.25 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 25.349 -1.918 -9.655 1.00 5.47 N ATOM 2 CA ALA A 2 24.756 -0.601 -9.325 1.00 4.84 C ATOM 3 C ALA A 2 23.319 -0.765 -8.847 1.00 3.96 C ATOM 4 O ALA A 2 23.039 -0.688 -7.652 1.00 4.26 O ATOM 5 CB ALA A 2 24.815 0.329 -10.529 1.00 5.40 C ATOM 0 HA ALA A 2 25.338 -0.156 -8.518 1.00 4.84 H new ATOM 0 HB1 ALA A 2 24.375 1.291 -10.267 1.00 5.40 H new ATOM 0 HB2 ALA A 2 25.854 0.474 -10.826 1.00 5.40 H new ATOM 0 HB3 ALA A 2 24.259 -0.111 -11.357 1.00 5.40 H new ATOM 11 N PHE A 3 22.413 -1.005 -9.780 1.00 3.24 N ATOM 12 CA PHE A 3 21.009 -1.188 -9.450 1.00 2.66 C ATOM 13 C PHE A 3 20.713 -2.671 -9.269 1.00 2.37 C ATOM 14 O PHE A 3 20.914 -3.466 -10.188 1.00 2.81 O ATOM 15 CB PHE A 3 20.124 -0.597 -10.552 1.00 2.71 C ATOM 16 CG PHE A 3 18.665 -0.530 -10.192 1.00 3.40 C ATOM 17 CD1 PHE A 3 18.174 0.523 -9.436 1.00 3.81 C ATOM 18 CD2 PHE A 3 17.785 -1.514 -10.617 1.00 4.16 C ATOM 19 CE1 PHE A 3 16.834 0.592 -9.109 1.00 4.74 C ATOM 20 CE2 PHE A 3 16.443 -1.450 -10.291 1.00 5.12 C ATOM 21 CZ PHE A 3 15.967 -0.394 -9.536 1.00 5.34 C ATOM 0 H PHE A 3 22.625 -1.078 -10.775 1.00 3.24 H new ATOM 0 HA PHE A 3 20.791 -0.667 -8.518 1.00 2.66 H new ATOM 0 HB2 PHE A 3 20.476 0.407 -10.788 1.00 2.71 H new ATOM 0 HB3 PHE A 3 20.238 -1.195 -11.456 1.00 2.71 H new ATOM 0 HD1 PHE A 3 18.847 1.298 -9.099 1.00 3.81 H new ATOM 0 HD2 PHE A 3 18.152 -2.339 -11.209 1.00 4.16 H new ATOM 0 HE1 PHE A 3 16.464 1.418 -8.519 1.00 4.74 H new ATOM 0 HE2 PHE A 3 15.768 -2.224 -10.625 1.00 5.12 H new ATOM 0 HZ PHE A 3 14.919 -0.341 -9.281 1.00 5.34 H new ATOM 31 N SER A 4 20.259 -3.037 -8.080 1.00 1.99 N ATOM 32 CA SER A 4 19.944 -4.424 -7.778 1.00 1.86 C ATOM 33 C SER A 4 18.654 -4.851 -8.476 1.00 1.53 C ATOM 34 O SER A 4 17.613 -4.203 -8.334 1.00 1.56 O ATOM 35 CB SER A 4 19.817 -4.610 -6.265 1.00 2.25 C ATOM 36 OG SER A 4 20.958 -4.103 -5.593 1.00 2.73 O ATOM 0 H SER A 4 20.100 -2.391 -7.307 1.00 1.99 H new ATOM 0 HA SER A 4 20.753 -5.054 -8.148 1.00 1.86 H new ATOM 0 HB2 SER A 4 18.923 -4.100 -5.906 1.00 2.25 H new ATOM 0 HB3 SER A 4 19.695 -5.668 -6.034 1.00 2.25 H new ATOM 0 HG SER A 4 20.853 -4.232 -4.627 1.00 2.73 H new ATOM 42 N SER A 5 18.729 -5.939 -9.228 1.00 1.87 N ATOM 43 CA SER A 5 17.580 -6.448 -9.956 1.00 2.11 C ATOM 44 C SER A 5 16.506 -6.961 -8.998 1.00 1.75 C ATOM 45 O SER A 5 16.812 -7.673 -8.035 1.00 2.50 O ATOM 46 CB SER A 5 18.028 -7.568 -10.893 1.00 2.94 C ATOM 47 OG SER A 5 19.280 -7.255 -11.483 1.00 3.24 O ATOM 0 H SER A 5 19.580 -6.488 -9.349 1.00 1.87 H new ATOM 0 HA SER A 5 17.148 -5.634 -10.539 1.00 2.11 H new ATOM 0 HB2 SER A 5 18.105 -8.504 -10.339 1.00 2.94 H new ATOM 0 HB3 SER A 5 17.280 -7.719 -11.672 1.00 2.94 H new ATOM 0 HG SER A 5 19.552 -7.984 -12.079 1.00 3.24 H new ATOM 53 N GLU A 6 15.255 -6.561 -9.254 1.00 0.91 N ATOM 54 CA GLU A 6 14.109 -6.976 -8.441 1.00 0.84 C ATOM 55 C GLU A 6 14.322 -6.654 -6.964 1.00 0.68 C ATOM 56 O GLU A 6 13.865 -7.391 -6.089 1.00 0.73 O ATOM 57 CB GLU A 6 13.847 -8.477 -8.614 1.00 1.15 C ATOM 58 CG GLU A 6 12.948 -8.815 -9.795 1.00 1.67 C ATOM 59 CD GLU A 6 13.633 -8.636 -11.137 1.00 2.11 C ATOM 60 OE1 GLU A 6 14.854 -8.884 -11.230 1.00 2.90 O ATOM 61 OE2 GLU A 6 12.948 -8.266 -12.112 1.00 2.42 O ATOM 0 H GLU A 6 15.011 -5.943 -10.028 1.00 0.91 H new ATOM 0 HA GLU A 6 13.241 -6.416 -8.788 1.00 0.84 H new ATOM 0 HB2 GLU A 6 14.801 -8.990 -8.738 1.00 1.15 H new ATOM 0 HB3 GLU A 6 13.393 -8.864 -7.702 1.00 1.15 H new ATOM 0 HG2 GLU A 6 12.609 -9.847 -9.702 1.00 1.67 H new ATOM 0 HG3 GLU A 6 12.060 -8.184 -9.760 1.00 1.67 H new ATOM 68 N GLN A 7 14.999 -5.543 -6.689 1.00 0.63 N ATOM 69 CA GLN A 7 15.280 -5.136 -5.313 1.00 0.61 C ATOM 70 C GLN A 7 13.998 -4.946 -4.503 1.00 0.52 C ATOM 71 O GLN A 7 13.962 -5.251 -3.315 1.00 0.61 O ATOM 72 CB GLN A 7 16.126 -3.859 -5.287 1.00 0.75 C ATOM 73 CG GLN A 7 15.453 -2.644 -5.907 1.00 1.58 C ATOM 74 CD GLN A 7 16.356 -1.426 -5.926 1.00 2.04 C ATOM 75 OE1 GLN A 7 17.574 -1.541 -6.056 1.00 2.40 O ATOM 76 NE2 GLN A 7 15.767 -0.250 -5.785 1.00 2.75 N ATOM 0 H GLN A 7 15.364 -4.908 -7.399 1.00 0.63 H new ATOM 0 HA GLN A 7 15.847 -5.941 -4.846 1.00 0.61 H new ATOM 0 HB2 GLN A 7 16.382 -3.629 -4.253 1.00 0.75 H new ATOM 0 HB3 GLN A 7 17.062 -4.048 -5.812 1.00 0.75 H new ATOM 0 HG2 GLN A 7 15.148 -2.882 -6.926 1.00 1.58 H new ATOM 0 HG3 GLN A 7 14.546 -2.411 -5.349 1.00 1.58 H new ATOM 0 HE21 GLN A 7 14.754 -0.196 -5.680 1.00 2.75 H new ATOM 0 HE22 GLN A 7 16.326 0.603 -5.782 1.00 2.75 H new ATOM 85 N PHE A 8 12.948 -4.464 -5.150 1.00 0.49 N ATOM 86 CA PHE A 8 11.678 -4.246 -4.475 1.00 0.45 C ATOM 87 C PHE A 8 10.888 -5.550 -4.411 1.00 0.44 C ATOM 88 O PHE A 8 10.328 -5.905 -3.373 1.00 0.42 O ATOM 89 CB PHE A 8 10.877 -3.170 -5.215 1.00 0.51 C ATOM 90 CG PHE A 8 9.596 -2.777 -4.535 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.604 -2.295 -3.236 1.00 0.88 C ATOM 92 CD2 PHE A 8 8.385 -2.888 -5.198 1.00 0.89 C ATOM 93 CE1 PHE A 8 8.429 -1.930 -2.611 1.00 0.90 C ATOM 94 CE2 PHE A 8 7.205 -2.524 -4.579 1.00 0.91 C ATOM 95 CZ PHE A 8 7.228 -2.045 -3.283 1.00 0.55 C ATOM 0 H PHE A 8 12.950 -4.217 -6.140 1.00 0.49 H new ATOM 0 HA PHE A 8 11.866 -3.906 -3.457 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.501 -2.284 -5.330 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.647 -3.530 -6.218 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.541 -2.204 -2.706 1.00 0.88 H new ATOM 0 HD2 PHE A 8 8.363 -3.263 -6.210 1.00 0.89 H new ATOM 0 HE1 PHE A 8 8.449 -1.555 -1.598 1.00 0.90 H new ATOM 0 HE2 PHE A 8 6.267 -2.614 -5.107 1.00 0.91 H new ATOM 0 HZ PHE A 8 6.307 -1.761 -2.796 1.00 0.55 H new ATOM 105 N THR A 9 10.882 -6.269 -5.525 1.00 0.50 N ATOM 106 CA THR A 9 10.165 -7.531 -5.643 1.00 0.56 C ATOM 107 C THR A 9 10.651 -8.575 -4.633 1.00 0.56 C ATOM 108 O THR A 9 9.847 -9.309 -4.051 1.00 0.60 O ATOM 109 CB THR A 9 10.320 -8.089 -7.066 1.00 0.67 C ATOM 110 OG1 THR A 9 10.654 -7.018 -7.961 1.00 0.76 O ATOM 111 CG2 THR A 9 9.040 -8.766 -7.530 1.00 0.86 C ATOM 0 H THR A 9 11.375 -5.993 -6.374 1.00 0.50 H new ATOM 0 HA THR A 9 9.116 -7.326 -5.429 1.00 0.56 H new ATOM 0 HB THR A 9 11.116 -8.834 -7.063 1.00 0.67 H new ATOM 0 HG1 THR A 9 10.303 -7.217 -8.854 1.00 0.76 H new ATOM 0 HG21 THR A 9 9.178 -9.152 -8.540 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.799 -9.589 -6.857 1.00 0.86 H new ATOM 0 HG23 THR A 9 8.224 -8.043 -7.526 1.00 0.86 H new ATOM 119 N THR A 10 11.961 -8.635 -4.421 1.00 0.57 N ATOM 120 CA THR A 10 12.541 -9.593 -3.486 1.00 0.63 C ATOM 121 C THR A 10 12.104 -9.312 -2.047 1.00 0.58 C ATOM 122 O THR A 10 11.845 -10.238 -1.276 1.00 0.66 O ATOM 123 CB THR A 10 14.081 -9.580 -3.561 1.00 0.71 C ATOM 124 OG1 THR A 10 14.506 -9.679 -4.926 1.00 1.42 O ATOM 125 CG2 THR A 10 14.678 -10.728 -2.762 1.00 1.31 C ATOM 0 H THR A 10 12.641 -8.032 -4.884 1.00 0.57 H new ATOM 0 HA THR A 10 12.175 -10.578 -3.777 1.00 0.63 H new ATOM 0 HB THR A 10 14.431 -8.640 -3.134 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.586 -8.781 -5.310 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.765 -10.694 -2.833 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.379 -10.638 -1.718 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.318 -11.676 -3.162 1.00 1.31 H new ATOM 133 N LYS A 11 12.000 -8.035 -1.693 1.00 0.51 N ATOM 134 CA LYS A 11 11.606 -7.652 -0.341 1.00 0.50 C ATOM 135 C LYS A 11 10.145 -7.992 -0.078 1.00 0.48 C ATOM 136 O LYS A 11 9.780 -8.363 1.036 1.00 0.52 O ATOM 137 CB LYS A 11 11.855 -6.159 -0.106 1.00 0.50 C ATOM 138 CG LYS A 11 13.300 -5.736 -0.325 1.00 0.59 C ATOM 139 CD LYS A 11 14.256 -6.443 0.626 1.00 0.80 C ATOM 140 CE LYS A 11 14.658 -5.549 1.788 1.00 1.06 C ATOM 141 NZ LYS A 11 15.738 -6.160 2.604 1.00 1.30 N ATOM 0 H LYS A 11 12.182 -7.251 -2.320 1.00 0.51 H new ATOM 0 HA LYS A 11 12.219 -8.221 0.358 1.00 0.50 H new ATOM 0 HB2 LYS A 11 11.213 -5.584 -0.773 1.00 0.50 H new ATOM 0 HB3 LYS A 11 11.563 -5.907 0.914 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.588 -5.952 -1.354 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.386 -4.658 -0.189 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.785 -7.348 1.009 1.00 0.80 H new ATOM 0 HD3 LYS A 11 15.147 -6.754 0.081 1.00 0.80 H new ATOM 0 HE2 LYS A 11 14.992 -4.584 1.406 1.00 1.06 H new ATOM 0 HE3 LYS A 11 13.789 -5.359 2.418 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 15.985 -5.521 3.387 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 15.410 -7.069 2.989 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 16.576 -6.318 2.008 1.00 1.30 H new ATOM 155 N LEU A 12 9.319 -7.889 -1.110 1.00 0.47 N ATOM 156 CA LEU A 12 7.895 -8.192 -0.990 1.00 0.50 C ATOM 157 C LEU A 12 7.666 -9.674 -0.713 1.00 0.56 C ATOM 158 O LEU A 12 6.641 -10.062 -0.157 1.00 0.65 O ATOM 159 CB LEU A 12 7.156 -7.798 -2.268 1.00 0.54 C ATOM 160 CG LEU A 12 7.042 -6.296 -2.528 1.00 0.66 C ATOM 161 CD1 LEU A 12 6.442 -6.044 -3.902 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.196 -5.630 -1.454 1.00 0.84 C ATOM 0 H LEU A 12 9.609 -7.597 -2.043 1.00 0.47 H new ATOM 0 HA LEU A 12 7.507 -7.615 -0.151 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.663 -8.258 -3.116 1.00 0.54 H new ATOM 0 HB3 LEU A 12 6.151 -8.219 -2.230 1.00 0.54 H new ATOM 0 HG LEU A 12 8.042 -5.864 -2.497 1.00 0.66 H new ATOM 0 HD11 LEU A 12 6.366 -4.970 -4.075 1.00 1.57 H new ATOM 0 HD12 LEU A 12 7.080 -6.490 -4.665 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.449 -6.491 -3.953 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.126 -4.561 -1.656 1.00 0.84 H new ATOM 0 HD22 LEU A 12 5.197 -6.065 -1.456 1.00 0.84 H new ATOM 0 HD23 LEU A 12 6.658 -5.785 -0.479 1.00 0.84 H new ATOM 174 N ASN A 13 8.629 -10.497 -1.098 1.00 0.60 N ATOM 175 CA ASN A 13 8.522 -11.938 -0.909 1.00 0.71 C ATOM 176 C ASN A 13 9.264 -12.403 0.339 1.00 0.72 C ATOM 177 O ASN A 13 9.315 -13.598 0.632 1.00 0.87 O ATOM 178 CB ASN A 13 9.055 -12.672 -2.143 1.00 0.82 C ATOM 179 CG ASN A 13 8.055 -12.684 -3.283 1.00 1.14 C ATOM 180 OD1 ASN A 13 7.185 -13.551 -3.351 1.00 1.53 O ATOM 181 ND2 ASN A 13 8.171 -11.726 -4.188 1.00 1.59 N ATOM 0 H ASN A 13 9.495 -10.193 -1.544 1.00 0.60 H new ATOM 0 HA ASN A 13 7.467 -12.176 -0.773 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.977 -12.195 -2.476 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.306 -13.698 -1.872 1.00 0.82 H new ATOM 0 HD21 ASN A 13 7.525 -11.689 -4.977 1.00 1.59 H new ATOM 0 HD22 ASN A 13 8.906 -11.025 -4.097 1.00 1.59 H new ATOM 188 N THR A 14 9.827 -11.464 1.083 1.00 0.67 N ATOM 189 CA THR A 14 10.563 -11.805 2.292 1.00 0.74 C ATOM 190 C THR A 14 9.946 -11.138 3.515 1.00 0.68 C ATOM 191 O THR A 14 10.557 -11.080 4.582 1.00 0.81 O ATOM 192 CB THR A 14 12.041 -11.394 2.168 1.00 0.85 C ATOM 193 OG1 THR A 14 12.142 -10.166 1.438 1.00 1.63 O ATOM 194 CG2 THR A 14 12.846 -12.472 1.459 1.00 1.47 C ATOM 0 H THR A 14 9.790 -10.466 0.874 1.00 0.67 H new ATOM 0 HA THR A 14 10.506 -12.886 2.417 1.00 0.74 H new ATOM 0 HB THR A 14 12.445 -11.261 3.172 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.985 -10.338 0.486 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.887 -12.158 1.384 1.00 1.47 H new ATOM 0 HG22 THR A 14 12.787 -13.402 2.025 1.00 1.47 H new ATOM 0 HG23 THR A 14 12.441 -12.630 0.459 1.00 1.47 H new ATOM 202 N LEU A 15 8.722 -10.653 3.357 1.00 0.61 N ATOM 203 CA LEU A 15 8.025 -9.980 4.442 1.00 0.61 C ATOM 204 C LEU A 15 7.079 -10.922 5.172 1.00 0.60 C ATOM 205 O LEU A 15 6.778 -12.023 4.701 1.00 0.71 O ATOM 206 CB LEU A 15 7.237 -8.777 3.911 1.00 0.65 C ATOM 207 CG LEU A 15 8.085 -7.571 3.514 1.00 0.73 C ATOM 208 CD1 LEU A 15 7.219 -6.504 2.867 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.819 -7.012 4.724 1.00 0.88 C ATOM 0 H LEU A 15 8.192 -10.714 2.488 1.00 0.61 H new ATOM 0 HA LEU A 15 8.782 -9.638 5.148 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.658 -9.096 3.044 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.523 -8.465 4.673 1.00 0.65 H new ATOM 0 HG LEU A 15 8.829 -7.895 2.786 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.839 -5.651 2.590 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.744 -6.912 1.975 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.452 -6.182 3.571 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.418 -6.153 4.421 1.00 0.88 H new ATOM 0 HD22 LEU A 15 8.095 -6.702 5.478 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.471 -7.780 5.141 1.00 0.88 H new ATOM 221 N GLU A 16 6.637 -10.480 6.335 1.00 0.65 N ATOM 222 CA GLU A 16 5.704 -11.226 7.164 1.00 0.72 C ATOM 223 C GLU A 16 4.619 -10.267 7.641 1.00 0.70 C ATOM 224 O GLU A 16 4.778 -9.052 7.519 1.00 0.70 O ATOM 225 CB GLU A 16 6.433 -11.853 8.359 1.00 0.83 C ATOM 226 CG GLU A 16 5.576 -12.812 9.171 1.00 1.28 C ATOM 227 CD GLU A 16 6.270 -13.301 10.424 1.00 1.56 C ATOM 228 OE1 GLU A 16 6.608 -12.462 11.288 1.00 2.16 O ATOM 229 OE2 GLU A 16 6.472 -14.528 10.553 1.00 2.16 O ATOM 0 H GLU A 16 6.917 -9.585 6.736 1.00 0.65 H new ATOM 0 HA GLU A 16 5.256 -12.036 6.588 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.313 -12.385 7.997 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.789 -11.057 9.013 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.645 -12.316 9.447 1.00 1.28 H new ATOM 0 HG3 GLU A 16 5.310 -13.668 8.551 1.00 1.28 H new ATOM 236 N ASP A 17 3.531 -10.797 8.188 1.00 0.77 N ATOM 237 CA ASP A 17 2.434 -9.963 8.681 1.00 0.82 C ATOM 238 C ASP A 17 2.819 -9.248 9.976 1.00 0.79 C ATOM 239 O ASP A 17 1.990 -8.587 10.602 1.00 1.05 O ATOM 240 CB ASP A 17 1.175 -10.805 8.912 1.00 1.00 C ATOM 241 CG ASP A 17 1.355 -11.841 10.005 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.899 -12.926 9.717 1.00 1.94 O ATOM 243 OD2 ASP A 17 0.946 -11.582 11.155 1.00 1.78 O ATOM 0 H ASP A 17 3.382 -11.800 8.303 1.00 0.77 H new ATOM 0 HA ASP A 17 2.227 -9.212 7.919 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.346 -10.147 9.174 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.903 -11.306 7.983 1.00 1.00 H new ATOM 248 N SER A 18 4.073 -9.385 10.375 1.00 0.74 N ATOM 249 CA SER A 18 4.559 -8.748 11.583 1.00 0.75 C ATOM 250 C SER A 18 4.973 -7.309 11.296 1.00 0.69 C ATOM 251 O SER A 18 5.583 -7.022 10.262 1.00 0.78 O ATOM 252 CB SER A 18 5.747 -9.524 12.154 1.00 0.84 C ATOM 253 OG SER A 18 6.006 -9.140 13.495 1.00 1.61 O ATOM 0 H SER A 18 4.773 -9.934 9.876 1.00 0.74 H new ATOM 0 HA SER A 18 3.753 -8.745 12.316 1.00 0.75 H new ATOM 0 HB2 SER A 18 5.542 -10.594 12.111 1.00 0.84 H new ATOM 0 HB3 SER A 18 6.631 -9.344 11.543 1.00 0.84 H new ATOM 0 HG SER A 18 6.819 -9.586 13.812 1.00 1.61 H new ATOM 259 N GLN A 19 4.650 -6.412 12.219 1.00 0.76 N ATOM 260 CA GLN A 19 4.994 -5.003 12.077 1.00 0.79 C ATOM 261 C GLN A 19 6.507 -4.831 12.022 1.00 0.73 C ATOM 262 O GLN A 19 7.021 -3.961 11.320 1.00 0.73 O ATOM 263 CB GLN A 19 4.403 -4.195 13.235 1.00 1.04 C ATOM 264 CG GLN A 19 4.677 -4.800 14.603 1.00 1.45 C ATOM 265 CD GLN A 19 3.807 -4.202 15.690 1.00 2.07 C ATOM 266 OE1 GLN A 19 2.716 -4.699 15.973 1.00 2.64 O ATOM 267 NE2 GLN A 19 4.281 -3.132 16.305 1.00 2.54 N ATOM 0 H GLN A 19 4.148 -6.637 13.078 1.00 0.76 H new ATOM 0 HA GLN A 19 4.571 -4.631 11.144 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.810 -3.184 13.206 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.326 -4.109 13.094 1.00 1.04 H new ATOM 0 HG2 GLN A 19 4.510 -5.876 14.560 1.00 1.45 H new ATOM 0 HG3 GLN A 19 5.726 -4.650 14.859 1.00 1.45 H new ATOM 0 HE21 GLN A 19 5.190 -2.752 16.040 1.00 2.54 H new ATOM 0 HE22 GLN A 19 3.738 -2.686 17.045 1.00 2.54 H new ATOM 276 N GLU A 20 7.214 -5.697 12.741 1.00 0.80 N ATOM 277 CA GLU A 20 8.669 -5.660 12.775 1.00 0.87 C ATOM 278 C GLU A 20 9.237 -5.957 11.385 1.00 0.75 C ATOM 279 O GLU A 20 10.312 -5.479 11.021 1.00 0.80 O ATOM 280 CB GLU A 20 9.204 -6.675 13.798 1.00 1.09 C ATOM 281 CG GLU A 20 9.236 -8.109 13.281 1.00 1.59 C ATOM 282 CD GLU A 20 9.272 -9.145 14.385 1.00 2.23 C ATOM 283 OE1 GLU A 20 10.269 -9.197 15.138 1.00 2.99 O ATOM 284 OE2 GLU A 20 8.300 -9.920 14.500 1.00 2.69 O ATOM 0 H GLU A 20 6.799 -6.435 13.310 1.00 0.80 H new ATOM 0 HA GLU A 20 8.987 -4.662 13.077 1.00 0.87 H new ATOM 0 HB2 GLU A 20 10.211 -6.382 14.094 1.00 1.09 H new ATOM 0 HB3 GLU A 20 8.585 -6.635 14.694 1.00 1.09 H new ATOM 0 HG2 GLU A 20 8.358 -8.283 12.658 1.00 1.59 H new ATOM 0 HG3 GLU A 20 10.110 -8.238 12.643 1.00 1.59 H new ATOM 291 N SER A 21 8.490 -6.727 10.606 1.00 0.69 N ATOM 292 CA SER A 21 8.910 -7.103 9.269 1.00 0.67 C ATOM 293 C SER A 21 8.612 -5.983 8.278 1.00 0.54 C ATOM 294 O SER A 21 9.505 -5.523 7.565 1.00 0.58 O ATOM 295 CB SER A 21 8.202 -8.391 8.844 1.00 0.74 C ATOM 296 OG SER A 21 8.760 -8.915 7.652 1.00 1.10 O ATOM 0 H SER A 21 7.584 -7.104 10.883 1.00 0.69 H new ATOM 0 HA SER A 21 9.986 -7.275 9.276 1.00 0.67 H new ATOM 0 HB2 SER A 21 8.279 -9.131 9.640 1.00 0.74 H new ATOM 0 HB3 SER A 21 7.141 -8.193 8.695 1.00 0.74 H new ATOM 0 HG SER A 21 8.816 -9.891 7.719 1.00 1.10 H new ATOM 302 N ILE A 22 7.360 -5.533 8.253 1.00 0.47 N ATOM 303 CA ILE A 22 6.943 -4.467 7.344 1.00 0.42 C ATOM 304 C ILE A 22 7.793 -3.215 7.548 1.00 0.42 C ATOM 305 O ILE A 22 8.241 -2.592 6.584 1.00 0.42 O ATOM 306 CB ILE A 22 5.450 -4.110 7.525 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.575 -5.366 7.413 1.00 0.53 C ATOM 308 CG2 ILE A 22 5.020 -3.074 6.494 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.660 -6.054 6.065 1.00 0.88 C ATOM 0 H ILE A 22 6.616 -5.890 8.852 1.00 0.47 H new ATOM 0 HA ILE A 22 7.087 -4.841 6.330 1.00 0.42 H new ATOM 0 HB ILE A 22 5.320 -3.686 8.521 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.869 -6.072 8.190 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.538 -5.093 7.606 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.966 -2.835 6.636 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.617 -2.170 6.616 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.169 -3.475 5.491 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.014 -6.932 6.063 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.338 -5.365 5.284 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.689 -6.360 5.877 1.00 0.88 H new ATOM 321 N SER A 23 8.035 -2.872 8.808 1.00 0.46 N ATOM 322 CA SER A 23 8.835 -1.705 9.151 1.00 0.50 C ATOM 323 C SER A 23 10.256 -1.830 8.600 1.00 0.49 C ATOM 324 O SER A 23 10.851 -0.842 8.167 1.00 0.55 O ATOM 325 CB SER A 23 8.873 -1.532 10.672 1.00 0.59 C ATOM 326 OG SER A 23 9.516 -0.326 11.040 1.00 1.18 O ATOM 0 H SER A 23 7.685 -3.391 9.614 1.00 0.46 H new ATOM 0 HA SER A 23 8.374 -0.827 8.698 1.00 0.50 H new ATOM 0 HB2 SER A 23 7.857 -1.539 11.066 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.395 -2.376 11.123 1.00 0.59 H new ATOM 0 HG SER A 23 9.666 -0.317 12.008 1.00 1.18 H new ATOM 332 N SER A 24 10.776 -3.051 8.588 1.00 0.50 N ATOM 333 CA SER A 24 12.127 -3.310 8.107 1.00 0.54 C ATOM 334 C SER A 24 12.275 -2.989 6.619 1.00 0.50 C ATOM 335 O SER A 24 13.342 -2.563 6.170 1.00 0.67 O ATOM 336 CB SER A 24 12.501 -4.766 8.372 1.00 0.62 C ATOM 337 OG SER A 24 12.660 -5.003 9.760 1.00 1.16 O ATOM 0 H SER A 24 10.279 -3.882 8.908 1.00 0.50 H new ATOM 0 HA SER A 24 12.806 -2.653 8.651 1.00 0.54 H new ATOM 0 HB2 SER A 24 11.728 -5.423 7.973 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.426 -5.009 7.849 1.00 0.62 H new ATOM 0 HG SER A 24 11.787 -5.199 10.161 1.00 1.16 H new ATOM 343 N ALA A 25 11.211 -3.194 5.856 1.00 0.42 N ATOM 344 CA ALA A 25 11.242 -2.915 4.427 1.00 0.40 C ATOM 345 C ALA A 25 10.797 -1.484 4.143 1.00 0.36 C ATOM 346 O ALA A 25 11.320 -0.827 3.244 1.00 0.37 O ATOM 347 CB ALA A 25 10.373 -3.908 3.672 1.00 0.45 C ATOM 0 H ALA A 25 10.319 -3.551 6.200 1.00 0.42 H new ATOM 0 HA ALA A 25 12.270 -3.024 4.080 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.408 -3.685 2.606 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.743 -4.919 3.843 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.344 -3.833 4.025 1.00 0.45 H new ATOM 353 N SER A 26 9.839 -1.005 4.924 1.00 0.36 N ATOM 354 CA SER A 26 9.321 0.347 4.768 1.00 0.37 C ATOM 355 C SER A 26 10.418 1.377 5.024 1.00 0.36 C ATOM 356 O SER A 26 10.644 2.277 4.213 1.00 0.37 O ATOM 357 CB SER A 26 8.153 0.570 5.728 1.00 0.46 C ATOM 358 OG SER A 26 7.770 1.932 5.770 1.00 1.32 O ATOM 0 H SER A 26 9.402 -1.537 5.677 1.00 0.36 H new ATOM 0 HA SER A 26 8.969 0.469 3.744 1.00 0.37 H new ATOM 0 HB2 SER A 26 7.304 -0.039 5.417 1.00 0.46 H new ATOM 0 HB3 SER A 26 8.434 0.239 6.728 1.00 0.46 H new ATOM 0 HG SER A 26 7.263 2.104 6.591 1.00 1.32 H new ATOM 364 N LYS A 27 11.124 1.214 6.139 1.00 0.39 N ATOM 365 CA LYS A 27 12.198 2.127 6.507 1.00 0.44 C ATOM 366 C LYS A 27 13.334 2.059 5.490 1.00 0.39 C ATOM 367 O LYS A 27 14.118 2.999 5.355 1.00 0.45 O ATOM 368 CB LYS A 27 12.711 1.797 7.912 1.00 0.53 C ATOM 369 CG LYS A 27 12.028 2.587 9.023 1.00 0.90 C ATOM 370 CD LYS A 27 10.518 2.396 9.016 1.00 1.41 C ATOM 371 CE LYS A 27 9.849 3.142 10.163 1.00 1.90 C ATOM 372 NZ LYS A 27 9.847 2.348 11.420 1.00 2.38 N ATOM 0 H LYS A 27 10.970 0.456 6.804 1.00 0.39 H new ATOM 0 HA LYS A 27 11.806 3.144 6.509 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.571 0.732 8.098 1.00 0.53 H new ATOM 0 HB3 LYS A 27 13.783 1.989 7.950 1.00 0.53 H new ATOM 0 HG2 LYS A 27 12.428 2.275 9.988 1.00 0.90 H new ATOM 0 HG3 LYS A 27 12.260 3.646 8.909 1.00 0.90 H new ATOM 0 HD2 LYS A 27 10.111 2.747 8.068 1.00 1.41 H new ATOM 0 HD3 LYS A 27 10.286 1.334 9.089 1.00 1.41 H new ATOM 0 HE2 LYS A 27 10.367 4.086 10.332 1.00 1.90 H new ATOM 0 HE3 LYS A 27 8.823 3.386 9.887 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 8.903 2.388 11.854 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 10.088 1.359 11.206 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 10.549 2.741 12.080 1.00 2.38 H new ATOM 386 N TRP A 28 13.406 0.942 4.773 1.00 0.36 N ATOM 387 CA TRP A 28 14.425 0.746 3.754 1.00 0.38 C ATOM 388 C TRP A 28 14.034 1.492 2.478 1.00 0.35 C ATOM 389 O TRP A 28 14.887 1.992 1.743 1.00 0.43 O ATOM 390 CB TRP A 28 14.598 -0.754 3.474 1.00 0.42 C ATOM 391 CG TRP A 28 15.524 -1.064 2.335 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.885 -0.960 2.331 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.154 -1.536 1.032 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.383 -1.337 1.109 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.342 -1.694 0.294 1.00 0.79 C ATOM 396 CE3 TRP A 28 13.933 -1.839 0.417 1.00 0.70 C ATOM 397 CZ2 TRP A 28 16.348 -2.142 -1.024 1.00 0.94 C ATOM 398 CZ3 TRP A 28 13.940 -2.283 -0.893 1.00 0.89 C ATOM 399 CH2 TRP A 28 15.141 -2.431 -1.601 1.00 0.98 C ATOM 0 H TRP A 28 12.765 0.156 4.882 1.00 0.36 H new ATOM 0 HA TRP A 28 15.375 1.145 4.110 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.973 -1.239 4.375 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.621 -1.188 3.261 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.483 -0.629 3.167 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.369 -1.349 0.850 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.003 -1.728 0.955 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 17.272 -2.257 -1.571 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 13.005 -2.520 -1.379 1.00 0.89 H new ATOM 0 HH2 TRP A 28 15.113 -2.780 -2.623 1.00 0.98 H new ATOM 410 N LEU A 29 12.737 1.578 2.233 1.00 0.32 N ATOM 411 CA LEU A 29 12.223 2.256 1.054 1.00 0.35 C ATOM 412 C LEU A 29 12.163 3.766 1.277 1.00 0.36 C ATOM 413 O LEU A 29 12.449 4.550 0.373 1.00 0.39 O ATOM 414 CB LEU A 29 10.830 1.726 0.712 1.00 0.41 C ATOM 415 CG LEU A 29 10.424 1.860 -0.756 1.00 0.54 C ATOM 416 CD1 LEU A 29 11.287 0.968 -1.631 1.00 1.10 C ATOM 417 CD2 LEU A 29 8.954 1.521 -0.935 1.00 1.30 C ATOM 0 H LEU A 29 12.017 1.184 2.839 1.00 0.32 H new ATOM 0 HA LEU A 29 12.899 2.057 0.223 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.781 0.674 0.991 1.00 0.41 H new ATOM 0 HB3 LEU A 29 10.098 2.253 1.324 1.00 0.41 H new ATOM 0 HG LEU A 29 10.578 2.895 -1.062 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.984 1.077 -2.672 1.00 1.10 H new ATOM 0 HD12 LEU A 29 12.333 1.257 -1.526 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.165 -0.071 -1.324 1.00 1.10 H new ATOM 0 HD21 LEU A 29 8.683 1.622 -1.986 1.00 1.30 H new ATOM 0 HD22 LEU A 29 8.775 0.496 -0.611 1.00 1.30 H new ATOM 0 HD23 LEU A 29 8.348 2.202 -0.337 1.00 1.30 H new ATOM 429 N LEU A 30 11.821 4.160 2.499 1.00 0.38 N ATOM 430 CA LEU A 30 11.704 5.573 2.861 1.00 0.44 C ATOM 431 C LEU A 30 13.025 6.331 2.708 1.00 0.48 C ATOM 432 O LEU A 30 13.025 7.555 2.561 1.00 0.60 O ATOM 433 CB LEU A 30 11.192 5.710 4.296 1.00 0.51 C ATOM 434 CG LEU A 30 9.725 5.324 4.501 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.402 5.222 5.983 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.804 6.329 3.824 1.00 1.00 C ATOM 0 H LEU A 30 11.618 3.516 3.264 1.00 0.38 H new ATOM 0 HA LEU A 30 10.991 6.020 2.168 1.00 0.44 H new ATOM 0 HB2 LEU A 30 11.809 5.090 4.946 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.328 6.743 4.617 1.00 0.51 H new ATOM 0 HG LEU A 30 9.562 4.348 4.044 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.355 4.947 6.109 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.035 4.462 6.442 1.00 1.06 H new ATOM 0 HD13 LEU A 30 9.585 6.184 6.462 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.766 6.036 3.982 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.970 7.319 4.249 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.015 6.353 2.755 1.00 1.00 H new ATOM 448 N LEU A 31 14.147 5.620 2.737 1.00 0.45 N ATOM 449 CA LEU A 31 15.447 6.274 2.603 1.00 0.53 C ATOM 450 C LEU A 31 15.826 6.454 1.133 1.00 0.54 C ATOM 451 O LEU A 31 16.794 7.148 0.814 1.00 0.70 O ATOM 452 CB LEU A 31 16.541 5.500 3.358 1.00 0.58 C ATOM 453 CG LEU A 31 16.741 4.035 2.950 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.739 3.913 1.804 1.00 1.59 C ATOM 455 CD2 LEU A 31 17.204 3.210 4.143 1.00 1.71 C ATOM 0 H LEU A 31 14.186 4.607 2.850 1.00 0.45 H new ATOM 0 HA LEU A 31 15.364 7.263 3.053 1.00 0.53 H new ATOM 0 HB2 LEU A 31 17.487 6.025 3.223 1.00 0.58 H new ATOM 0 HB3 LEU A 31 16.309 5.530 4.423 1.00 0.58 H new ATOM 0 HG LEU A 31 15.782 3.649 2.605 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.860 2.863 1.537 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.371 4.467 0.940 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.701 4.322 2.114 1.00 1.59 H new ATOM 0 HD21 LEU A 31 17.341 2.173 3.837 1.00 1.71 H new ATOM 0 HD22 LEU A 31 18.149 3.607 4.515 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.454 3.259 4.932 1.00 1.71 H new ATOM 467 N GLN A 32 15.056 5.843 0.241 1.00 0.49 N ATOM 468 CA GLN A 32 15.320 5.936 -1.188 1.00 0.56 C ATOM 469 C GLN A 32 14.099 6.488 -1.925 1.00 0.48 C ATOM 470 O GLN A 32 13.587 5.884 -2.869 1.00 0.53 O ATOM 471 CB GLN A 32 15.728 4.566 -1.750 1.00 0.69 C ATOM 472 CG GLN A 32 14.680 3.476 -1.565 1.00 0.80 C ATOM 473 CD GLN A 32 15.204 2.098 -1.912 1.00 1.09 C ATOM 474 OE1 GLN A 32 15.222 1.701 -3.077 1.00 1.51 O ATOM 475 NE2 GLN A 32 15.620 1.353 -0.903 1.00 1.25 N ATOM 0 H GLN A 32 14.243 5.277 0.483 1.00 0.49 H new ATOM 0 HA GLN A 32 16.149 6.627 -1.343 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.942 4.672 -2.814 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.653 4.250 -1.269 1.00 0.69 H new ATOM 0 HG2 GLN A 32 14.336 3.480 -0.531 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.815 3.699 -2.189 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.589 1.719 0.048 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.973 0.412 -1.076 1.00 1.25 H new ATOM 484 N TYR A 33 13.659 7.669 -1.503 1.00 0.47 N ATOM 485 CA TYR A 33 12.492 8.325 -2.094 1.00 0.47 C ATOM 486 C TYR A 33 12.712 8.692 -3.563 1.00 0.46 C ATOM 487 O TYR A 33 11.789 9.132 -4.243 1.00 0.50 O ATOM 488 CB TYR A 33 12.121 9.575 -1.285 1.00 0.57 C ATOM 489 CG TYR A 33 13.107 10.721 -1.407 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.310 10.709 -0.713 1.00 1.35 C ATOM 491 CD2 TYR A 33 12.829 11.817 -2.218 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.205 11.756 -0.820 1.00 1.55 C ATOM 493 CE2 TYR A 33 13.718 12.868 -2.328 1.00 1.59 C ATOM 494 CZ TYR A 33 14.905 12.831 -1.629 1.00 1.27 C ATOM 495 OH TYR A 33 15.791 13.876 -1.737 1.00 1.61 O ATOM 0 H TYR A 33 14.096 8.197 -0.748 1.00 0.47 H new ATOM 0 HA TYR A 33 11.669 7.611 -2.060 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.139 9.922 -1.607 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.033 9.299 -0.234 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.550 9.868 -0.080 1.00 1.35 H new ATOM 0 HD2 TYR A 33 11.902 11.846 -2.771 1.00 1.41 H new ATOM 0 HE1 TYR A 33 16.136 11.732 -0.272 1.00 1.55 H new ATOM 0 HE2 TYR A 33 13.484 13.714 -2.958 1.00 1.59 H new ATOM 0 HH TYR A 33 15.428 14.551 -2.347 1.00 1.61 H new ATOM 505 N ARG A 34 13.935 8.512 -4.047 1.00 0.47 N ATOM 506 CA ARG A 34 14.262 8.819 -5.434 1.00 0.53 C ATOM 507 C ARG A 34 13.502 7.899 -6.382 1.00 0.48 C ATOM 508 O ARG A 34 13.099 8.304 -7.471 1.00 0.56 O ATOM 509 CB ARG A 34 15.761 8.657 -5.681 1.00 0.64 C ATOM 510 CG ARG A 34 16.628 9.614 -4.886 1.00 1.12 C ATOM 511 CD ARG A 34 18.093 9.454 -5.253 1.00 1.55 C ATOM 512 NE ARG A 34 18.949 10.371 -4.505 1.00 2.28 N ATOM 513 CZ ARG A 34 20.162 10.753 -4.899 1.00 2.92 C ATOM 514 NH1 ARG A 34 20.673 10.297 -6.040 1.00 2.94 N ATOM 515 NH2 ARG A 34 20.866 11.587 -4.144 1.00 3.97 N ATOM 0 H ARG A 34 14.717 8.155 -3.499 1.00 0.47 H new ATOM 0 HA ARG A 34 13.972 9.853 -5.622 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.050 7.635 -5.437 1.00 0.64 H new ATOM 0 HB3 ARG A 34 15.961 8.800 -6.743 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.312 10.640 -5.076 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.494 9.431 -3.820 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.405 8.428 -5.059 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.220 9.630 -6.321 1.00 1.55 H new ATOM 0 HE ARG A 34 18.595 10.743 -3.624 1.00 2.28 H new ATOM 0 HH11 ARG A 34 20.135 9.651 -6.618 1.00 2.94 H new ATOM 0 HH12 ARG A 34 21.603 10.593 -6.337 1.00 2.94 H new ATOM 0 HH21 ARG A 34 20.477 11.932 -3.266 1.00 3.97 H new ATOM 0 HH22 ARG A 34 21.796 11.883 -4.441 1.00 3.97 H new ATOM 529 N ASP A 35 13.299 6.662 -5.946 1.00 0.46 N ATOM 530 CA ASP A 35 12.606 5.667 -6.758 1.00 0.50 C ATOM 531 C ASP A 35 11.133 5.573 -6.388 1.00 0.41 C ATOM 532 O ASP A 35 10.491 4.555 -6.639 1.00 0.38 O ATOM 533 CB ASP A 35 13.267 4.294 -6.594 1.00 0.68 C ATOM 534 CG ASP A 35 14.491 4.130 -7.470 1.00 1.04 C ATOM 535 OD1 ASP A 35 14.339 4.104 -8.711 1.00 1.70 O ATOM 536 OD2 ASP A 35 15.611 4.029 -6.925 1.00 1.58 O ATOM 0 H ASP A 35 13.604 6.323 -5.034 1.00 0.46 H new ATOM 0 HA ASP A 35 12.677 5.984 -7.799 1.00 0.50 H new ATOM 0 HB2 ASP A 35 13.550 4.153 -5.551 1.00 0.68 H new ATOM 0 HB3 ASP A 35 12.544 3.515 -6.836 1.00 0.68 H new ATOM 541 N ALA A 36 10.599 6.644 -5.813 1.00 0.40 N ATOM 542 CA ALA A 36 9.196 6.686 -5.402 1.00 0.37 C ATOM 543 C ALA A 36 8.236 6.295 -6.537 1.00 0.32 C ATOM 544 O ALA A 36 7.424 5.387 -6.359 1.00 0.33 O ATOM 545 CB ALA A 36 8.840 8.056 -4.839 1.00 0.43 C ATOM 0 H ALA A 36 11.118 7.501 -5.619 1.00 0.40 H new ATOM 0 HA ALA A 36 9.074 5.941 -4.616 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.792 8.065 -4.540 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.467 8.267 -3.973 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.006 8.817 -5.601 1.00 0.43 H new ATOM 551 N PRO A 37 8.298 6.949 -7.722 1.00 0.35 N ATOM 552 CA PRO A 37 7.404 6.607 -8.837 1.00 0.37 C ATOM 553 C PRO A 37 7.674 5.208 -9.390 1.00 0.35 C ATOM 554 O PRO A 37 6.769 4.535 -9.883 1.00 0.42 O ATOM 555 CB PRO A 37 7.716 7.672 -9.895 1.00 0.46 C ATOM 556 CG PRO A 37 9.087 8.154 -9.566 1.00 0.50 C ATOM 557 CD PRO A 37 9.206 8.064 -8.072 1.00 0.42 C ATOM 0 HA PRO A 37 6.359 6.594 -8.527 1.00 0.37 H new ATOM 0 HB2 PRO A 37 7.676 7.253 -10.900 1.00 0.46 H new ATOM 0 HB3 PRO A 37 6.993 8.487 -9.860 1.00 0.46 H new ATOM 0 HG2 PRO A 37 9.844 7.542 -10.056 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.234 9.178 -9.909 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.231 7.860 -7.762 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.906 8.994 -7.588 1.00 0.42 H new ATOM 565 N LYS A 38 8.922 4.769 -9.275 1.00 0.34 N ATOM 566 CA LYS A 38 9.327 3.463 -9.775 1.00 0.36 C ATOM 567 C LYS A 38 8.779 2.339 -8.895 1.00 0.34 C ATOM 568 O LYS A 38 8.239 1.354 -9.400 1.00 0.39 O ATOM 569 CB LYS A 38 10.858 3.389 -9.864 1.00 0.41 C ATOM 570 CG LYS A 38 11.396 2.079 -10.434 1.00 0.60 C ATOM 571 CD LYS A 38 10.710 1.689 -11.741 1.00 1.32 C ATOM 572 CE LYS A 38 10.834 2.773 -12.805 1.00 2.00 C ATOM 573 NZ LYS A 38 12.250 3.063 -13.161 1.00 2.78 N ATOM 0 H LYS A 38 9.673 5.302 -8.837 1.00 0.34 H new ATOM 0 HA LYS A 38 8.909 3.331 -10.773 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.214 4.213 -10.483 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.275 3.535 -8.868 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.469 2.173 -10.604 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.257 1.283 -9.702 1.00 0.60 H new ATOM 0 HD2 LYS A 38 11.147 0.763 -12.116 1.00 1.32 H new ATOM 0 HD3 LYS A 38 9.656 1.489 -11.550 1.00 1.32 H new ATOM 0 HE2 LYS A 38 10.294 2.463 -13.700 1.00 2.00 H new ATOM 0 HE3 LYS A 38 10.359 3.686 -12.446 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 12.279 3.770 -13.924 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 12.749 3.433 -12.327 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 12.713 2.189 -13.482 1.00 2.78 H new ATOM 587 N VAL A 39 8.907 2.483 -7.580 1.00 0.31 N ATOM 588 CA VAL A 39 8.407 1.464 -6.666 1.00 0.31 C ATOM 589 C VAL A 39 6.883 1.477 -6.630 1.00 0.29 C ATOM 590 O VAL A 39 6.252 0.460 -6.357 1.00 0.31 O ATOM 591 CB VAL A 39 8.969 1.624 -5.235 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.481 1.462 -5.238 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.566 2.958 -4.629 1.00 0.33 C ATOM 0 H VAL A 39 9.347 3.285 -7.128 1.00 0.31 H new ATOM 0 HA VAL A 39 8.754 0.504 -7.047 1.00 0.31 H new ATOM 0 HB VAL A 39 8.539 0.839 -4.613 1.00 0.34 H new ATOM 0 HG11 VAL A 39 10.861 1.577 -4.223 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.740 0.472 -5.612 1.00 0.39 H new ATOM 0 HG13 VAL A 39 10.927 2.221 -5.881 1.00 0.39 H new ATOM 0 HG21 VAL A 39 8.977 3.039 -3.623 1.00 0.33 H new ATOM 0 HG22 VAL A 39 8.953 3.769 -5.246 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.479 3.023 -4.583 1.00 0.33 H new ATOM 603 N ALA A 40 6.301 2.633 -6.929 1.00 0.27 N ATOM 604 CA ALA A 40 4.855 2.784 -6.941 1.00 0.28 C ATOM 605 C ALA A 40 4.227 1.987 -8.079 1.00 0.28 C ATOM 606 O ALA A 40 3.258 1.254 -7.872 1.00 0.29 O ATOM 607 CB ALA A 40 4.479 4.250 -7.049 1.00 0.32 C ATOM 0 H ALA A 40 6.814 3.482 -7.167 1.00 0.27 H new ATOM 0 HA ALA A 40 4.466 2.390 -6.002 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.393 4.348 -7.057 1.00 0.32 H new ATOM 0 HB2 ALA A 40 4.886 4.794 -6.197 1.00 0.32 H new ATOM 0 HB3 ALA A 40 4.887 4.663 -7.971 1.00 0.32 H new ATOM 613 N GLU A 41 4.783 2.122 -9.281 1.00 0.31 N ATOM 614 CA GLU A 41 4.257 1.402 -10.431 1.00 0.36 C ATOM 615 C GLU A 41 4.542 -0.091 -10.301 1.00 0.35 C ATOM 616 O GLU A 41 3.715 -0.919 -10.680 1.00 0.38 O ATOM 617 CB GLU A 41 4.819 1.955 -11.746 1.00 0.44 C ATOM 618 CG GLU A 41 6.330 1.882 -11.866 1.00 0.52 C ATOM 619 CD GLU A 41 6.791 1.879 -13.307 1.00 0.74 C ATOM 620 OE1 GLU A 41 6.237 2.651 -14.120 1.00 1.37 O ATOM 621 OE2 GLU A 41 7.707 1.100 -13.638 1.00 1.40 O ATOM 0 H GLU A 41 5.588 2.716 -9.480 1.00 0.31 H new ATOM 0 HA GLU A 41 3.177 1.547 -10.452 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.375 1.405 -12.576 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.509 2.995 -11.850 1.00 0.44 H new ATOM 0 HG2 GLU A 41 6.775 2.730 -11.346 1.00 0.52 H new ATOM 0 HG3 GLU A 41 6.689 0.980 -11.370 1.00 0.52 H new ATOM 628 N MET A 42 5.705 -0.431 -9.744 1.00 0.35 N ATOM 629 CA MET A 42 6.075 -1.829 -9.545 1.00 0.40 C ATOM 630 C MET A 42 5.108 -2.483 -8.569 1.00 0.35 C ATOM 631 O MET A 42 4.664 -3.611 -8.778 1.00 0.35 O ATOM 632 CB MET A 42 7.506 -1.944 -9.019 1.00 0.51 C ATOM 633 CG MET A 42 8.482 -2.494 -10.042 1.00 1.09 C ATOM 634 SD MET A 42 10.080 -2.925 -9.319 1.00 0.98 S ATOM 635 CE MET A 42 10.658 -1.315 -8.788 1.00 1.51 C ATOM 0 H MET A 42 6.403 0.241 -9.425 1.00 0.35 H new ATOM 0 HA MET A 42 6.022 -2.341 -10.506 1.00 0.40 H new ATOM 0 HB2 MET A 42 7.846 -0.960 -8.695 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.511 -2.588 -8.140 1.00 0.51 H new ATOM 0 HG2 MET A 42 8.050 -3.378 -10.512 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.631 -1.755 -10.829 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.687 -1.171 -9.118 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.026 -0.540 -9.222 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.613 -1.253 -7.701 1.00 1.51 H new ATOM 645 N TRP A 43 4.784 -1.753 -7.506 1.00 0.32 N ATOM 646 CA TRP A 43 3.848 -2.226 -6.496 1.00 0.30 C ATOM 647 C TRP A 43 2.488 -2.471 -7.139 1.00 0.27 C ATOM 648 O TRP A 43 1.874 -3.522 -6.946 1.00 0.28 O ATOM 649 CB TRP A 43 3.740 -1.188 -5.373 1.00 0.30 C ATOM 650 CG TRP A 43 2.715 -1.503 -4.328 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.831 -2.404 -3.312 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.424 -0.899 -4.186 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.690 -2.400 -2.547 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.810 -1.487 -3.067 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.727 0.079 -4.902 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.467 -1.126 -2.643 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.539 0.434 -4.481 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.125 -0.168 -3.363 1.00 0.41 C ATOM 0 H TRP A 43 5.161 -0.823 -7.323 1.00 0.32 H new ATOM 0 HA TRP A 43 4.204 -3.163 -6.069 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.713 -1.091 -4.891 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.505 -0.219 -5.813 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.693 -3.029 -3.134 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.525 -2.982 -1.726 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.171 0.548 -5.768 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.920 -1.586 -1.777 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -1.086 1.190 -5.025 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.118 0.130 -3.062 1.00 0.41 H new ATOM 669 N LYS A 44 2.047 -1.495 -7.930 1.00 0.27 N ATOM 670 CA LYS A 44 0.775 -1.577 -8.632 1.00 0.28 C ATOM 671 C LYS A 44 0.750 -2.789 -9.558 1.00 0.30 C ATOM 672 O LYS A 44 -0.172 -3.602 -9.507 1.00 0.31 O ATOM 673 CB LYS A 44 0.545 -0.295 -9.441 1.00 0.32 C ATOM 674 CG LYS A 44 -0.718 -0.320 -10.290 1.00 0.46 C ATOM 675 CD LYS A 44 -0.806 0.889 -11.212 1.00 0.66 C ATOM 676 CE LYS A 44 0.257 0.852 -12.303 1.00 1.03 C ATOM 677 NZ LYS A 44 0.084 1.960 -13.280 1.00 1.11 N ATOM 0 H LYS A 44 2.561 -0.630 -8.100 1.00 0.27 H new ATOM 0 HA LYS A 44 -0.022 -1.687 -7.897 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.494 0.551 -8.756 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.404 -0.128 -10.090 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -0.737 -1.233 -10.885 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.592 -0.345 -9.640 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.795 0.925 -11.670 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.693 1.801 -10.626 1.00 0.66 H new ATOM 0 HE2 LYS A 44 1.246 0.918 -11.849 1.00 1.03 H new ATOM 0 HE3 LYS A 44 0.209 -0.104 -12.825 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.826 1.901 -14.007 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.850 1.882 -13.731 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.155 2.873 -12.786 1.00 1.11 H new ATOM 691 N GLU A 45 1.780 -2.908 -10.391 1.00 0.35 N ATOM 692 CA GLU A 45 1.885 -4.010 -11.340 1.00 0.41 C ATOM 693 C GLU A 45 1.881 -5.362 -10.633 1.00 0.40 C ATOM 694 O GLU A 45 1.203 -6.293 -11.067 1.00 0.46 O ATOM 695 CB GLU A 45 3.162 -3.879 -12.168 1.00 0.51 C ATOM 696 CG GLU A 45 3.052 -2.897 -13.325 1.00 0.73 C ATOM 697 CD GLU A 45 4.188 -3.049 -14.314 1.00 1.21 C ATOM 698 OE1 GLU A 45 4.375 -4.169 -14.837 1.00 1.96 O ATOM 699 OE2 GLU A 45 4.910 -2.061 -14.561 1.00 1.76 O ATOM 0 H GLU A 45 2.558 -2.250 -10.427 1.00 0.35 H new ATOM 0 HA GLU A 45 1.015 -3.959 -11.994 1.00 0.41 H new ATOM 0 HB2 GLU A 45 3.976 -3.565 -11.514 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.430 -4.860 -12.562 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.103 -3.048 -13.839 1.00 0.73 H new ATOM 0 HG3 GLU A 45 3.045 -1.879 -12.936 1.00 0.73 H new ATOM 706 N TYR A 46 2.632 -5.458 -9.542 1.00 0.39 N ATOM 707 CA TYR A 46 2.728 -6.697 -8.780 1.00 0.42 C ATOM 708 C TYR A 46 1.366 -7.129 -8.248 1.00 0.40 C ATOM 709 O TYR A 46 0.973 -8.282 -8.402 1.00 0.45 O ATOM 710 CB TYR A 46 3.717 -6.534 -7.625 1.00 0.45 C ATOM 711 CG TYR A 46 4.261 -7.847 -7.104 1.00 0.59 C ATOM 712 CD1 TYR A 46 5.120 -8.616 -7.877 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.919 -8.316 -5.841 1.00 1.06 C ATOM 714 CE1 TYR A 46 5.619 -9.818 -7.411 1.00 1.58 C ATOM 715 CE2 TYR A 46 4.415 -9.516 -5.367 1.00 1.12 C ATOM 716 CZ TYR A 46 5.267 -10.262 -6.155 1.00 1.03 C ATOM 717 OH TYR A 46 5.763 -11.458 -5.686 1.00 1.27 O ATOM 0 H TYR A 46 3.185 -4.689 -9.164 1.00 0.39 H new ATOM 0 HA TYR A 46 3.089 -7.475 -9.452 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.548 -5.911 -7.955 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.226 -6.004 -6.809 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.403 -8.269 -8.860 1.00 1.39 H new ATOM 0 HD2 TYR A 46 3.255 -7.733 -5.220 1.00 1.06 H new ATOM 0 HE1 TYR A 46 6.282 -10.406 -8.028 1.00 1.58 H new ATOM 0 HE2 TYR A 46 4.137 -9.868 -4.385 1.00 1.12 H new ATOM 0 HH TYR A 46 5.418 -11.624 -4.784 1.00 1.27 H new ATOM 727 N MET A 47 0.633 -6.197 -7.653 1.00 0.36 N ATOM 728 CA MET A 47 -0.678 -6.507 -7.092 1.00 0.39 C ATOM 729 C MET A 47 -1.722 -6.744 -8.186 1.00 0.37 C ATOM 730 O MET A 47 -2.824 -7.229 -7.910 1.00 0.43 O ATOM 731 CB MET A 47 -1.135 -5.391 -6.154 1.00 0.42 C ATOM 732 CG MET A 47 -0.308 -5.300 -4.881 1.00 0.57 C ATOM 733 SD MET A 47 -1.130 -4.365 -3.576 1.00 0.70 S ATOM 734 CE MET A 47 -2.567 -5.386 -3.265 1.00 0.37 C ATOM 0 H MET A 47 0.921 -5.224 -7.546 1.00 0.36 H new ATOM 0 HA MET A 47 -0.581 -7.431 -6.523 1.00 0.39 H new ATOM 0 HB2 MET A 47 -1.084 -4.438 -6.681 1.00 0.42 H new ATOM 0 HB3 MET A 47 -2.180 -5.553 -5.890 1.00 0.42 H new ATOM 0 HG2 MET A 47 -0.093 -6.306 -4.520 1.00 0.57 H new ATOM 0 HG3 MET A 47 0.650 -4.832 -5.108 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.983 -5.140 -2.288 1.00 0.37 H new ATOM 0 HE2 MET A 47 -3.317 -5.204 -4.035 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.277 -6.437 -3.282 1.00 0.37 H new ATOM 744 N LEU A 48 -1.376 -6.407 -9.422 1.00 0.37 N ATOM 745 CA LEU A 48 -2.281 -6.601 -10.549 1.00 0.41 C ATOM 746 C LEU A 48 -1.992 -7.924 -11.249 1.00 0.46 C ATOM 747 O LEU A 48 -2.746 -8.351 -12.127 1.00 0.59 O ATOM 748 CB LEU A 48 -2.169 -5.448 -11.548 1.00 0.45 C ATOM 749 CG LEU A 48 -2.718 -4.104 -11.062 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.548 -3.046 -12.140 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.183 -4.229 -10.661 1.00 0.88 C ATOM 0 H LEU A 48 -0.475 -5.998 -9.670 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.298 -6.623 -10.158 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.119 -5.319 -11.812 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -2.695 -5.728 -12.461 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.152 -3.800 -10.182 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -2.942 -2.095 -11.782 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.490 -2.934 -12.376 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.090 -3.349 -13.036 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.551 -3.261 -10.319 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.769 -4.557 -11.520 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.279 -4.958 -9.857 1.00 0.88 H new ATOM 763 N ARG A 49 -0.901 -8.570 -10.859 1.00 0.46 N ATOM 764 CA ARG A 49 -0.522 -9.847 -11.444 1.00 0.53 C ATOM 765 C ARG A 49 -1.334 -10.979 -10.825 1.00 0.54 C ATOM 766 O ARG A 49 -1.418 -11.096 -9.603 1.00 0.49 O ATOM 767 CB ARG A 49 0.974 -10.116 -11.250 1.00 0.60 C ATOM 768 CG ARG A 49 1.870 -9.280 -12.148 1.00 0.74 C ATOM 769 CD ARG A 49 3.324 -9.719 -12.056 1.00 1.01 C ATOM 770 NE ARG A 49 3.519 -11.078 -12.559 1.00 1.38 N ATOM 771 CZ ARG A 49 4.596 -11.825 -12.307 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.587 -11.343 -11.567 1.00 2.19 N ATOM 773 NH2 ARG A 49 4.689 -13.048 -12.815 1.00 2.69 N ATOM 0 H ARG A 49 -0.263 -8.229 -10.139 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.731 -9.801 -12.513 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.236 -9.923 -10.210 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.171 -11.172 -11.438 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.529 -9.362 -13.180 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.788 -8.230 -11.868 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.948 -9.029 -12.625 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.654 -9.666 -11.018 1.00 1.01 H new ATOM 0 HE ARG A 49 2.784 -11.481 -13.140 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.528 -10.398 -11.188 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.408 -11.918 -11.377 1.00 2.19 H new ATOM 0 HH21 ARG A 49 3.937 -13.417 -13.398 1.00 2.69 H new ATOM 0 HH22 ARG A 49 5.512 -13.619 -12.623 1.00 2.69 H new ATOM 787 N PRO A 50 -1.933 -11.834 -11.667 1.00 0.65 N ATOM 788 CA PRO A 50 -2.746 -12.968 -11.209 1.00 0.71 C ATOM 789 C PRO A 50 -1.904 -14.064 -10.559 1.00 0.73 C ATOM 790 O PRO A 50 -2.434 -15.018 -9.989 1.00 0.78 O ATOM 791 CB PRO A 50 -3.393 -13.483 -12.497 1.00 0.89 C ATOM 792 CG PRO A 50 -2.451 -13.079 -13.574 1.00 0.94 C ATOM 793 CD PRO A 50 -1.870 -11.763 -13.139 1.00 0.77 C ATOM 0 HA PRO A 50 -3.463 -12.672 -10.444 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -3.525 -14.565 -12.470 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.380 -13.045 -12.648 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -1.669 -13.826 -13.709 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.968 -12.982 -14.529 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.846 -11.639 -13.492 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -2.445 -10.922 -13.526 1.00 0.77 H new ATOM 801 N SER A 51 -0.591 -13.930 -10.666 1.00 0.75 N ATOM 802 CA SER A 51 0.333 -14.889 -10.083 1.00 0.84 C ATOM 803 C SER A 51 0.504 -14.614 -8.593 1.00 0.76 C ATOM 804 O SER A 51 0.954 -15.471 -7.832 1.00 0.90 O ATOM 805 CB SER A 51 1.682 -14.789 -10.794 1.00 0.96 C ATOM 806 OG SER A 51 1.653 -13.760 -11.775 1.00 1.33 O ATOM 0 H SER A 51 -0.139 -13.158 -11.156 1.00 0.75 H new ATOM 0 HA SER A 51 -0.066 -15.896 -10.206 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.468 -14.585 -10.067 1.00 0.96 H new ATOM 0 HB3 SER A 51 1.923 -15.742 -11.265 1.00 0.96 H new ATOM 0 HG SER A 51 2.135 -14.057 -12.575 1.00 1.33 H new ATOM 812 N VAL A 52 0.124 -13.410 -8.190 1.00 0.59 N ATOM 813 CA VAL A 52 0.231 -12.992 -6.806 1.00 0.56 C ATOM 814 C VAL A 52 -1.039 -13.354 -6.041 1.00 0.50 C ATOM 815 O VAL A 52 -2.107 -12.793 -6.289 1.00 0.51 O ATOM 816 CB VAL A 52 0.496 -11.475 -6.716 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.592 -11.017 -5.270 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.765 -11.123 -7.477 1.00 0.57 C ATOM 0 H VAL A 52 -0.265 -12.701 -8.812 1.00 0.59 H new ATOM 0 HA VAL A 52 1.072 -13.517 -6.353 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.345 -10.953 -7.171 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.779 -9.944 -5.240 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.344 -11.237 -4.756 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.410 -11.542 -4.776 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.945 -10.050 -7.408 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.609 -11.661 -7.045 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.652 -11.406 -8.524 1.00 0.57 H new ATOM 828 N ASN A 53 -0.914 -14.311 -5.128 1.00 0.51 N ATOM 829 CA ASN A 53 -2.044 -14.769 -4.323 1.00 0.52 C ATOM 830 C ASN A 53 -2.483 -13.688 -3.334 1.00 0.48 C ATOM 831 O ASN A 53 -1.730 -12.750 -3.049 1.00 0.47 O ATOM 832 CB ASN A 53 -1.664 -16.054 -3.576 1.00 0.61 C ATOM 833 CG ASN A 53 -2.849 -16.739 -2.916 1.00 1.09 C ATOM 834 OD1 ASN A 53 -3.990 -16.601 -3.357 1.00 1.80 O ATOM 835 ND2 ASN A 53 -2.584 -17.483 -1.853 1.00 1.64 N ATOM 0 H ASN A 53 -0.036 -14.788 -4.925 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.882 -14.978 -4.988 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.196 -16.747 -4.275 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.920 -15.817 -2.815 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -3.340 -17.967 -1.368 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -1.624 -17.572 -1.519 1.00 1.64 H new ATOM 842 N THR A 54 -3.691 -13.838 -2.800 1.00 0.48 N ATOM 843 CA THR A 54 -4.255 -12.886 -1.853 1.00 0.49 C ATOM 844 C THR A 54 -3.318 -12.635 -0.671 1.00 0.47 C ATOM 845 O THR A 54 -3.235 -11.517 -0.158 1.00 0.47 O ATOM 846 CB THR A 54 -5.611 -13.392 -1.336 1.00 0.57 C ATOM 847 OG1 THR A 54 -5.733 -14.797 -1.608 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.758 -12.645 -1.996 1.00 0.81 C ATOM 0 H THR A 54 -4.306 -14.624 -3.013 1.00 0.48 H new ATOM 0 HA THR A 54 -4.391 -11.943 -2.382 1.00 0.49 H new ATOM 0 HB THR A 54 -5.659 -13.216 -0.261 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.597 -15.120 -1.277 1.00 0.75 H new ATOM 0 HG21 THR A 54 -7.706 -13.022 -1.613 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.675 -11.581 -1.775 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.717 -12.795 -3.075 1.00 0.81 H new ATOM 856 N ARG A 55 -2.603 -13.680 -0.257 1.00 0.50 N ATOM 857 CA ARG A 55 -1.662 -13.580 0.854 1.00 0.54 C ATOM 858 C ARG A 55 -0.603 -12.522 0.563 1.00 0.49 C ATOM 859 O ARG A 55 -0.324 -11.657 1.390 1.00 0.50 O ATOM 860 CB ARG A 55 -0.978 -14.928 1.103 1.00 0.65 C ATOM 861 CG ARG A 55 -1.938 -16.074 1.396 1.00 0.94 C ATOM 862 CD ARG A 55 -2.727 -15.851 2.682 1.00 1.52 C ATOM 863 NE ARG A 55 -1.904 -15.315 3.771 1.00 2.10 N ATOM 864 CZ ARG A 55 -0.991 -16.018 4.452 1.00 2.74 C ATOM 865 NH1 ARG A 55 -0.773 -17.297 4.169 1.00 3.00 N ATOM 866 NH2 ARG A 55 -0.307 -15.435 5.428 1.00 3.58 N ATOM 0 H ARG A 55 -2.659 -14.608 -0.677 1.00 0.50 H new ATOM 0 HA ARG A 55 -2.221 -13.293 1.744 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -0.380 -15.185 0.229 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.289 -14.823 1.941 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -2.631 -16.188 0.562 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -1.377 -17.005 1.473 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -3.550 -15.164 2.483 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -3.170 -16.795 2.999 1.00 1.52 H new ATOM 0 HE ARG A 55 -2.037 -14.337 4.028 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -1.304 -17.753 3.427 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -0.075 -17.824 4.694 1.00 3.00 H new ATOM 0 HH21 ARG A 55 -0.478 -14.456 5.656 1.00 3.58 H new ATOM 0 HH22 ARG A 55 0.390 -15.966 5.950 1.00 3.58 H new ATOM 880 N ARG A 56 -0.030 -12.592 -0.632 1.00 0.49 N ATOM 881 CA ARG A 56 1.005 -11.654 -1.043 1.00 0.48 C ATOM 882 C ARG A 56 0.411 -10.271 -1.300 1.00 0.43 C ATOM 883 O ARG A 56 1.045 -9.257 -1.016 1.00 0.46 O ATOM 884 CB ARG A 56 1.730 -12.160 -2.293 1.00 0.53 C ATOM 885 CG ARG A 56 2.759 -13.249 -2.021 1.00 0.67 C ATOM 886 CD ARG A 56 3.969 -12.703 -1.279 1.00 0.84 C ATOM 887 NE ARG A 56 5.104 -13.625 -1.337 1.00 1.55 N ATOM 888 CZ ARG A 56 5.613 -14.264 -0.284 1.00 2.18 C ATOM 889 NH1 ARG A 56 5.118 -14.065 0.934 1.00 2.58 N ATOM 890 NH2 ARG A 56 6.626 -15.103 -0.452 1.00 3.05 N ATOM 0 H ARG A 56 -0.266 -13.292 -1.335 1.00 0.49 H new ATOM 0 HA ARG A 56 1.728 -11.574 -0.232 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.991 -12.542 -2.998 1.00 0.53 H new ATOM 0 HB3 ARG A 56 2.227 -11.319 -2.776 1.00 0.53 H new ATOM 0 HG2 ARG A 56 2.301 -14.045 -1.434 1.00 0.67 H new ATOM 0 HG3 ARG A 56 3.079 -13.692 -2.964 1.00 0.67 H new ATOM 0 HD2 ARG A 56 4.257 -11.744 -1.710 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.704 -12.518 -0.238 1.00 0.84 H new ATOM 0 HE ARG A 56 5.535 -13.790 -2.246 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.341 -13.418 1.069 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.515 -14.559 1.733 1.00 2.58 H new ATOM 0 HH21 ARG A 56 7.012 -15.257 -1.384 1.00 3.05 H new ATOM 0 HH22 ARG A 56 7.019 -15.595 0.350 1.00 3.05 H new ATOM 904 N LYS A 57 -0.807 -10.234 -1.835 1.00 0.38 N ATOM 905 CA LYS A 57 -1.479 -8.968 -2.113 1.00 0.36 C ATOM 906 C LYS A 57 -1.694 -8.186 -0.821 1.00 0.35 C ATOM 907 O LYS A 57 -1.377 -6.999 -0.742 1.00 0.36 O ATOM 908 CB LYS A 57 -2.827 -9.199 -2.808 1.00 0.37 C ATOM 909 CG LYS A 57 -2.718 -9.699 -4.243 1.00 0.39 C ATOM 910 CD LYS A 57 -3.949 -9.315 -5.056 1.00 0.59 C ATOM 911 CE LYS A 57 -3.955 -9.982 -6.424 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.869 -9.292 -7.379 1.00 0.46 N ATOM 0 H LYS A 57 -1.347 -11.063 -2.084 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.840 -8.391 -2.781 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.402 -9.920 -2.228 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.389 -8.265 -2.803 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.826 -9.281 -4.710 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.601 -10.783 -4.245 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.848 -9.599 -4.509 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.980 -8.232 -5.180 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.943 -9.986 -6.830 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -4.260 -11.023 -6.318 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -5.309 -9.994 -8.008 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.610 -8.790 -6.849 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -4.327 -8.610 -7.947 1.00 0.46 H new ATOM 926 N LEU A 58 -2.219 -8.864 0.193 1.00 0.36 N ATOM 927 CA LEU A 58 -2.472 -8.239 1.485 1.00 0.37 C ATOM 928 C LEU A 58 -1.160 -7.791 2.126 1.00 0.37 C ATOM 929 O LEU A 58 -1.094 -6.736 2.759 1.00 0.38 O ATOM 930 CB LEU A 58 -3.206 -9.216 2.407 1.00 0.42 C ATOM 931 CG LEU A 58 -3.766 -8.605 3.692 1.00 0.77 C ATOM 932 CD1 LEU A 58 -4.905 -7.644 3.382 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.230 -9.701 4.638 1.00 1.15 C ATOM 0 H LEU A 58 -2.478 -9.849 0.145 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.100 -7.361 1.331 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.027 -9.668 1.851 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.522 -10.021 2.675 1.00 0.42 H new ATOM 0 HG LEU A 58 -2.972 -8.040 4.179 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.288 -7.222 4.311 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.540 -6.841 2.742 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.705 -8.180 2.871 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.626 -9.252 5.549 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.009 -10.292 4.156 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.388 -10.346 4.888 1.00 1.15 H new ATOM 945 N LEU A 59 -0.117 -8.593 1.939 1.00 0.38 N ATOM 946 CA LEU A 59 1.199 -8.287 2.488 1.00 0.40 C ATOM 947 C LEU A 59 1.759 -7.015 1.860 1.00 0.37 C ATOM 948 O LEU A 59 2.270 -6.138 2.557 1.00 0.38 O ATOM 949 CB LEU A 59 2.160 -9.456 2.252 1.00 0.45 C ATOM 950 CG LEU A 59 2.529 -10.269 3.496 1.00 0.63 C ATOM 951 CD1 LEU A 59 3.317 -9.417 4.475 1.00 1.54 C ATOM 952 CD2 LEU A 59 1.284 -10.835 4.164 1.00 1.21 C ATOM 0 H LEU A 59 -0.158 -9.464 1.409 1.00 0.38 H new ATOM 0 HA LEU A 59 1.094 -8.129 3.561 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.713 -10.128 1.520 1.00 0.45 H new ATOM 0 HB3 LEU A 59 3.077 -9.066 1.809 1.00 0.45 H new ATOM 0 HG LEU A 59 3.155 -11.104 3.182 1.00 0.63 H new ATOM 0 HD11 LEU A 59 3.570 -10.012 5.353 1.00 1.54 H new ATOM 0 HD12 LEU A 59 4.232 -9.066 3.998 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.715 -8.560 4.778 1.00 1.54 H new ATOM 0 HD21 LEU A 59 1.573 -11.408 5.045 1.00 1.21 H new ATOM 0 HD22 LEU A 59 0.627 -10.018 4.462 1.00 1.21 H new ATOM 0 HD23 LEU A 59 0.759 -11.485 3.464 1.00 1.21 H new ATOM 964 N GLY A 60 1.640 -6.915 0.540 1.00 0.37 N ATOM 965 CA GLY A 60 2.128 -5.747 -0.165 1.00 0.37 C ATOM 966 C GLY A 60 1.344 -4.501 0.190 1.00 0.35 C ATOM 967 O GLY A 60 1.884 -3.395 0.186 1.00 0.36 O ATOM 0 H GLY A 60 1.213 -7.625 -0.054 1.00 0.37 H new ATOM 0 HA2 GLY A 60 3.180 -5.593 0.073 1.00 0.37 H new ATOM 0 HA3 GLY A 60 2.066 -5.920 -1.239 1.00 0.37 H new ATOM 971 N LEU A 61 0.066 -4.683 0.500 1.00 0.35 N ATOM 972 CA LEU A 61 -0.805 -3.576 0.872 1.00 0.36 C ATOM 973 C LEU A 61 -0.332 -2.938 2.176 1.00 0.35 C ATOM 974 O LEU A 61 -0.388 -1.716 2.342 1.00 0.36 O ATOM 975 CB LEU A 61 -2.248 -4.068 1.020 1.00 0.40 C ATOM 976 CG LEU A 61 -3.255 -3.015 1.493 1.00 0.52 C ATOM 977 CD1 LEU A 61 -3.494 -1.972 0.411 1.00 1.23 C ATOM 978 CD2 LEU A 61 -4.565 -3.674 1.900 1.00 1.10 C ATOM 0 H LEU A 61 -0.392 -5.594 0.501 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.766 -2.824 0.084 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.581 -4.459 0.059 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.260 -4.900 1.724 1.00 0.40 H new ATOM 0 HG LEU A 61 -2.837 -2.511 2.365 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -4.212 -1.234 0.769 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -2.554 -1.476 0.170 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -3.887 -2.458 -0.482 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -5.268 -2.911 2.233 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -4.985 -4.207 1.047 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -4.381 -4.377 2.712 1.00 1.10 H new ATOM 990 N TYR A 62 0.153 -3.772 3.091 1.00 0.36 N ATOM 991 CA TYR A 62 0.638 -3.294 4.379 1.00 0.37 C ATOM 992 C TYR A 62 1.843 -2.378 4.199 1.00 0.34 C ATOM 993 O TYR A 62 1.960 -1.353 4.870 1.00 0.35 O ATOM 994 CB TYR A 62 1.021 -4.468 5.284 1.00 0.44 C ATOM 995 CG TYR A 62 -0.152 -5.295 5.769 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.400 -4.720 5.998 1.00 1.23 C ATOM 997 CD2 TYR A 62 -0.003 -6.653 6.016 1.00 1.30 C ATOM 998 CE1 TYR A 62 -2.460 -5.477 6.457 1.00 1.35 C ATOM 999 CE2 TYR A 62 -1.059 -7.416 6.470 1.00 1.38 C ATOM 1000 CZ TYR A 62 -2.284 -6.824 6.692 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.334 -7.581 7.159 1.00 1.10 O ATOM 0 H TYR A 62 0.220 -4.782 2.963 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.169 -2.731 4.848 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.709 -5.118 4.743 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.560 -4.083 6.149 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.541 -3.665 5.814 1.00 1.23 H new ATOM 0 HD2 TYR A 62 0.956 -7.120 5.850 1.00 1.30 H new ATOM 0 HE1 TYR A 62 -3.421 -5.016 6.631 1.00 1.35 H new ATOM 0 HE2 TYR A 62 -0.927 -8.473 6.651 1.00 1.38 H new ATOM 0 HH TYR A 62 -3.043 -8.510 7.271 1.00 1.10 H new ATOM 1011 N LEU A 63 2.724 -2.744 3.277 1.00 0.33 N ATOM 1012 CA LEU A 63 3.923 -1.961 3.016 1.00 0.34 C ATOM 1013 C LEU A 63 3.567 -0.569 2.504 1.00 0.32 C ATOM 1014 O LEU A 63 4.230 0.413 2.839 1.00 0.35 O ATOM 1015 CB LEU A 63 4.821 -2.679 2.005 1.00 0.36 C ATOM 1016 CG LEU A 63 6.221 -2.079 1.841 1.00 0.52 C ATOM 1017 CD1 LEU A 63 7.025 -2.235 3.122 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.944 -2.731 0.676 1.00 1.45 C ATOM 0 H LEU A 63 2.630 -3.578 2.698 1.00 0.33 H new ATOM 0 HA LEU A 63 4.464 -1.853 3.956 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.922 -3.721 2.308 1.00 0.36 H new ATOM 0 HB3 LEU A 63 4.325 -2.676 1.034 1.00 0.36 H new ATOM 0 HG LEU A 63 6.116 -1.015 1.631 1.00 0.52 H new ATOM 0 HD11 LEU A 63 8.016 -1.803 2.985 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.515 -1.721 3.937 1.00 1.21 H new ATOM 0 HD13 LEU A 63 7.121 -3.293 3.364 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.937 -2.293 0.573 1.00 1.45 H new ATOM 0 HD22 LEU A 63 7.036 -3.802 0.858 1.00 1.45 H new ATOM 0 HD23 LEU A 63 6.378 -2.567 -0.241 1.00 1.45 H new ATOM 1030 N MET A 64 2.512 -0.490 1.701 1.00 0.31 N ATOM 1031 CA MET A 64 2.066 0.782 1.148 1.00 0.34 C ATOM 1032 C MET A 64 1.565 1.697 2.262 1.00 0.32 C ATOM 1033 O MET A 64 1.935 2.868 2.329 1.00 0.33 O ATOM 1034 CB MET A 64 0.964 0.561 0.109 1.00 0.38 C ATOM 1035 CG MET A 64 0.667 1.790 -0.740 1.00 0.61 C ATOM 1036 SD MET A 64 -0.607 2.853 -0.028 1.00 0.47 S ATOM 1037 CE MET A 64 -2.058 1.817 -0.205 1.00 0.50 C ATOM 0 H MET A 64 1.950 -1.293 1.419 1.00 0.31 H new ATOM 0 HA MET A 64 2.914 1.259 0.656 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.254 -0.261 -0.546 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.051 0.254 0.620 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.583 2.366 -0.867 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.351 1.470 -1.733 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.815 2.347 -0.782 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.787 0.896 -0.721 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.456 1.576 0.781 1.00 0.50 H new ATOM 1047 N ASN A 65 0.742 1.144 3.146 1.00 0.34 N ATOM 1048 CA ASN A 65 0.192 1.904 4.269 1.00 0.36 C ATOM 1049 C ASN A 65 1.309 2.450 5.151 1.00 0.35 C ATOM 1050 O ASN A 65 1.248 3.584 5.623 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.752 1.020 5.099 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.002 1.560 6.500 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -0.377 1.121 7.468 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -1.921 2.509 6.619 1.00 1.69 N ATOM 0 H ASN A 65 0.439 0.171 3.109 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.373 2.745 3.868 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.704 0.927 4.577 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.330 0.018 5.173 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -2.132 2.902 7.536 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -2.416 2.846 5.793 1.00 1.69 H new ATOM 1061 N HIS A 66 2.337 1.639 5.340 1.00 0.34 N ATOM 1062 CA HIS A 66 3.476 2.010 6.165 1.00 0.37 C ATOM 1063 C HIS A 66 4.228 3.210 5.590 1.00 0.36 C ATOM 1064 O HIS A 66 4.368 4.240 6.251 1.00 0.40 O ATOM 1065 CB HIS A 66 4.425 0.818 6.286 1.00 0.44 C ATOM 1066 CG HIS A 66 5.202 0.769 7.565 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.987 1.817 7.984 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.290 -0.234 8.465 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.529 1.426 9.123 1.00 1.46 C ATOM 1070 NE2 HIS A 66 6.136 0.190 9.454 1.00 1.04 N ATOM 0 H HIS A 66 2.406 0.709 4.928 1.00 0.34 H new ATOM 0 HA HIS A 66 3.101 2.294 7.148 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.847 -0.101 6.192 1.00 0.44 H new ATOM 0 HB3 HIS A 66 5.125 0.841 5.451 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.788 -1.189 8.414 1.00 1.09 H new ATOM 0 HE1 HIS A 66 7.204 2.028 9.713 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.413 -0.335 10.283 1.00 1.04 H new ATOM 1078 N VAL A 67 4.680 3.086 4.345 1.00 0.35 N ATOM 1079 CA VAL A 67 5.462 4.142 3.704 1.00 0.39 C ATOM 1080 C VAL A 67 4.689 5.452 3.540 1.00 0.39 C ATOM 1081 O VAL A 67 5.255 6.524 3.738 1.00 0.48 O ATOM 1082 CB VAL A 67 6.028 3.701 2.329 1.00 0.42 C ATOM 1083 CG1 VAL A 67 7.022 2.564 2.498 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.918 3.295 1.374 1.00 1.40 C ATOM 0 H VAL A 67 4.519 2.266 3.760 1.00 0.35 H new ATOM 0 HA VAL A 67 6.292 4.327 4.386 1.00 0.39 H new ATOM 0 HB VAL A 67 6.545 4.557 1.896 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.407 2.269 1.522 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.847 2.893 3.130 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.525 1.713 2.964 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.351 2.992 0.421 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.358 2.462 1.800 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.247 4.139 1.216 1.00 1.40 H new ATOM 1094 N VAL A 68 3.404 5.384 3.205 1.00 0.34 N ATOM 1095 CA VAL A 68 2.622 6.606 3.013 1.00 0.37 C ATOM 1096 C VAL A 68 2.294 7.282 4.343 1.00 0.39 C ATOM 1097 O VAL A 68 2.143 8.505 4.407 1.00 0.43 O ATOM 1098 CB VAL A 68 1.318 6.357 2.222 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.630 5.786 0.846 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.372 5.443 2.987 1.00 0.37 C ATOM 0 H VAL A 68 2.888 4.516 3.063 1.00 0.34 H new ATOM 0 HA VAL A 68 3.252 7.272 2.424 1.00 0.37 H new ATOM 0 HB VAL A 68 0.815 7.315 2.092 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.700 5.617 0.303 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.251 6.490 0.292 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.163 4.841 0.956 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.535 5.288 2.403 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.858 4.483 3.165 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.115 5.902 3.942 1.00 0.37 H new ATOM 1110 N GLN A 69 2.200 6.492 5.403 1.00 0.39 N ATOM 1111 CA GLN A 69 1.895 7.024 6.722 1.00 0.45 C ATOM 1112 C GLN A 69 3.139 7.652 7.345 1.00 0.45 C ATOM 1113 O GLN A 69 3.088 8.765 7.868 1.00 0.50 O ATOM 1114 CB GLN A 69 1.341 5.919 7.621 1.00 0.52 C ATOM 1115 CG GLN A 69 0.999 6.379 9.027 1.00 0.82 C ATOM 1116 CD GLN A 69 -0.018 5.477 9.701 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -1.222 5.726 9.639 1.00 1.83 O ATOM 1118 NE2 GLN A 69 0.458 4.423 10.346 1.00 2.02 N ATOM 0 H GLN A 69 2.331 5.481 5.375 1.00 0.39 H new ATOM 0 HA GLN A 69 1.136 7.800 6.619 1.00 0.45 H new ATOM 0 HB2 GLN A 69 0.446 5.503 7.158 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.073 5.113 7.681 1.00 0.52 H new ATOM 0 HG2 GLN A 69 1.908 6.409 9.628 1.00 0.82 H new ATOM 0 HG3 GLN A 69 0.609 7.396 8.989 1.00 0.82 H new ATOM 0 HE21 GLN A 69 1.463 4.253 10.373 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -0.181 3.781 10.816 1.00 2.02 H new ATOM 1127 N GLN A 70 4.263 6.948 7.254 1.00 0.44 N ATOM 1128 CA GLN A 70 5.521 7.434 7.812 1.00 0.49 C ATOM 1129 C GLN A 70 6.069 8.599 6.987 1.00 0.46 C ATOM 1130 O GLN A 70 6.909 9.369 7.460 1.00 0.49 O ATOM 1131 CB GLN A 70 6.544 6.296 7.871 1.00 0.58 C ATOM 1132 CG GLN A 70 6.122 5.144 8.774 1.00 0.78 C ATOM 1133 CD GLN A 70 6.338 5.437 10.245 1.00 1.39 C ATOM 1134 OE1 GLN A 70 7.380 5.107 10.811 1.00 2.10 O ATOM 1135 NE2 GLN A 70 5.354 6.061 10.875 1.00 2.02 N ATOM 0 H GLN A 70 4.329 6.038 6.798 1.00 0.44 H new ATOM 0 HA GLN A 70 5.333 7.794 8.824 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.710 5.915 6.863 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.496 6.692 8.223 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.068 4.923 8.604 1.00 0.78 H new ATOM 0 HG3 GLN A 70 6.683 4.251 8.501 1.00 0.78 H new ATOM 0 HE21 GLN A 70 4.506 6.317 10.369 1.00 2.02 H new ATOM 0 HE22 GLN A 70 5.444 6.285 11.866 1.00 2.02 H new ATOM 1144 N ALA A 71 5.572 8.735 5.759 1.00 0.46 N ATOM 1145 CA ALA A 71 6.000 9.806 4.864 1.00 0.47 C ATOM 1146 C ALA A 71 5.635 11.174 5.431 1.00 0.46 C ATOM 1147 O ALA A 71 6.253 12.180 5.087 1.00 0.48 O ATOM 1148 CB ALA A 71 5.388 9.627 3.482 1.00 0.51 C ATOM 0 H ALA A 71 4.869 8.113 5.360 1.00 0.46 H new ATOM 0 HA ALA A 71 7.085 9.753 4.775 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.719 10.435 2.830 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.705 8.671 3.065 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.301 9.646 3.560 1.00 0.51 H new ATOM 1154 N LYS A 72 4.636 11.200 6.311 1.00 0.49 N ATOM 1155 CA LYS A 72 4.195 12.442 6.938 1.00 0.55 C ATOM 1156 C LYS A 72 5.312 13.040 7.788 1.00 0.54 C ATOM 1157 O LYS A 72 5.480 14.255 7.842 1.00 0.59 O ATOM 1158 CB LYS A 72 2.955 12.197 7.805 1.00 0.66 C ATOM 1159 CG LYS A 72 1.663 12.072 7.012 1.00 0.84 C ATOM 1160 CD LYS A 72 1.181 13.426 6.515 1.00 1.07 C ATOM 1161 CE LYS A 72 -0.141 13.306 5.776 1.00 1.60 C ATOM 1162 NZ LYS A 72 -0.643 14.625 5.315 1.00 2.09 N ATOM 0 H LYS A 72 4.117 10.373 6.606 1.00 0.49 H new ATOM 0 HA LYS A 72 3.938 13.147 6.148 1.00 0.55 H new ATOM 0 HB2 LYS A 72 3.103 11.286 8.385 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.855 13.016 8.518 1.00 0.66 H new ATOM 0 HG2 LYS A 72 1.819 11.406 6.163 1.00 0.84 H new ATOM 0 HG3 LYS A 72 0.894 11.618 7.637 1.00 0.84 H new ATOM 0 HD2 LYS A 72 1.067 14.106 7.359 1.00 1.07 H new ATOM 0 HD3 LYS A 72 1.931 13.861 5.854 1.00 1.07 H new ATOM 0 HE2 LYS A 72 -0.018 12.645 4.918 1.00 1.60 H new ATOM 0 HE3 LYS A 72 -0.881 12.845 6.430 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -1.586 14.509 4.891 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -0.705 15.275 6.124 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 0.009 15.016 4.606 1.00 2.09 H new ATOM 1176 N GLY A 73 6.082 12.175 8.439 1.00 0.54 N ATOM 1177 CA GLY A 73 7.174 12.637 9.274 1.00 0.59 C ATOM 1178 C GLY A 73 8.401 12.986 8.457 1.00 0.56 C ATOM 1179 O GLY A 73 9.191 13.850 8.838 1.00 0.66 O ATOM 0 H GLY A 73 5.969 11.162 8.403 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.854 13.512 9.840 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.429 11.864 9.999 1.00 0.59 H new ATOM 1183 N GLN A 74 8.550 12.317 7.323 1.00 0.52 N ATOM 1184 CA GLN A 74 9.680 12.548 6.432 1.00 0.55 C ATOM 1185 C GLN A 74 9.438 13.791 5.583 1.00 0.51 C ATOM 1186 O GLN A 74 10.379 14.400 5.075 1.00 0.56 O ATOM 1187 CB GLN A 74 9.893 11.329 5.531 1.00 0.62 C ATOM 1188 CG GLN A 74 10.229 10.060 6.296 1.00 0.80 C ATOM 1189 CD GLN A 74 11.722 9.817 6.403 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.525 10.747 6.346 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.104 8.561 6.562 1.00 1.42 N ATOM 0 H GLN A 74 7.898 11.604 6.996 1.00 0.52 H new ATOM 0 HA GLN A 74 10.575 12.705 7.034 1.00 0.55 H new ATOM 0 HB2 GLN A 74 8.991 11.161 4.942 1.00 0.62 H new ATOM 0 HB3 GLN A 74 10.698 11.543 4.828 1.00 0.62 H new ATOM 0 HG2 GLN A 74 9.803 10.121 7.297 1.00 0.80 H new ATOM 0 HG3 GLN A 74 9.761 9.208 5.802 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.407 7.817 6.605 1.00 1.42 H new ATOM 0 HE22 GLN A 74 13.096 8.336 6.642 1.00 1.42 H new ATOM 1200 N LYS A 75 8.159 14.149 5.441 1.00 0.47 N ATOM 1201 CA LYS A 75 7.733 15.311 4.658 1.00 0.50 C ATOM 1202 C LYS A 75 8.039 15.118 3.180 1.00 0.47 C ATOM 1203 O LYS A 75 8.252 16.081 2.438 1.00 0.54 O ATOM 1204 CB LYS A 75 8.371 16.603 5.180 1.00 0.62 C ATOM 1205 CG LYS A 75 7.848 17.043 6.543 1.00 0.77 C ATOM 1206 CD LYS A 75 6.336 17.253 6.542 1.00 1.33 C ATOM 1207 CE LYS A 75 5.926 18.446 5.693 1.00 1.99 C ATOM 1208 NZ LYS A 75 6.211 19.738 6.369 1.00 2.70 N ATOM 0 H LYS A 75 7.386 13.638 5.868 1.00 0.47 H new ATOM 0 HA LYS A 75 6.653 15.403 4.772 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.450 16.464 5.243 1.00 0.62 H new ATOM 0 HB3 LYS A 75 8.194 17.401 4.459 1.00 0.62 H new ATOM 0 HG2 LYS A 75 8.108 16.292 7.289 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.341 17.969 6.837 1.00 0.77 H new ATOM 0 HD2 LYS A 75 5.846 16.355 6.166 1.00 1.33 H new ATOM 0 HD3 LYS A 75 5.990 17.400 7.565 1.00 1.33 H new ATOM 0 HE2 LYS A 75 6.455 18.411 4.741 1.00 1.99 H new ATOM 0 HE3 LYS A 75 4.861 18.382 5.469 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 5.916 20.524 5.755 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 5.686 19.784 7.266 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 7.231 19.812 6.560 1.00 2.70 H new ATOM 1222 N ILE A 76 8.034 13.865 2.756 1.00 0.42 N ATOM 1223 CA ILE A 76 8.293 13.525 1.368 1.00 0.42 C ATOM 1224 C ILE A 76 6.982 13.165 0.679 1.00 0.38 C ATOM 1225 O ILE A 76 6.539 12.014 0.715 1.00 0.40 O ATOM 1226 CB ILE A 76 9.288 12.346 1.240 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.591 12.643 1.995 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.580 12.049 -0.224 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.396 13.781 1.410 1.00 0.63 C ATOM 0 H ILE A 76 7.852 13.062 3.358 1.00 0.42 H new ATOM 0 HA ILE A 76 8.743 14.394 0.889 1.00 0.42 H new ATOM 0 HB ILE A 76 8.827 11.466 1.688 1.00 0.46 H new ATOM 0 HG12 ILE A 76 10.352 12.876 3.033 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.207 11.743 2.004 1.00 0.55 H new ATOM 0 HG21 ILE A 76 10.281 11.217 -0.294 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.653 11.786 -0.734 1.00 0.49 H new ATOM 0 HG23 ILE A 76 10.015 12.931 -0.694 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.301 13.928 2.000 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.668 13.543 0.382 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.801 14.694 1.426 1.00 0.63 H new ATOM 1241 N ILE A 77 6.361 14.159 0.058 1.00 0.40 N ATOM 1242 CA ILE A 77 5.089 13.957 -0.625 1.00 0.42 C ATOM 1243 C ILE A 77 5.265 13.121 -1.888 1.00 0.39 C ATOM 1244 O ILE A 77 4.293 12.620 -2.443 1.00 0.40 O ATOM 1245 CB ILE A 77 4.408 15.294 -0.991 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.222 16.046 -2.044 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.223 16.153 0.251 1.00 0.57 C ATOM 1248 CD1 ILE A 77 4.419 17.077 -2.802 1.00 0.86 C ATOM 0 H ILE A 77 6.717 15.114 0.013 1.00 0.40 H new ATOM 0 HA ILE A 77 4.447 13.422 0.075 1.00 0.42 H new ATOM 0 HB ILE A 77 3.426 15.074 -1.411 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.064 16.538 -1.558 1.00 0.59 H new ATOM 0 HG13 ILE A 77 5.638 15.328 -2.751 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.742 17.092 -0.024 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.599 15.623 0.971 1.00 0.57 H new ATOM 0 HG23 ILE A 77 5.195 16.361 0.698 1.00 0.57 H new ATOM 0 HD11 ILE A 77 5.059 17.572 -3.532 1.00 0.86 H new ATOM 0 HD12 ILE A 77 3.592 16.588 -3.317 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.025 17.816 -2.105 1.00 0.86 H new ATOM 1260 N GLN A 78 6.511 12.972 -2.329 1.00 0.41 N ATOM 1261 CA GLN A 78 6.826 12.191 -3.521 1.00 0.43 C ATOM 1262 C GLN A 78 6.282 10.771 -3.398 1.00 0.36 C ATOM 1263 O GLN A 78 5.773 10.205 -4.366 1.00 0.36 O ATOM 1264 CB GLN A 78 8.341 12.147 -3.750 1.00 0.52 C ATOM 1265 CG GLN A 78 8.893 13.361 -4.484 1.00 0.81 C ATOM 1266 CD GLN A 78 8.768 14.648 -3.689 1.00 1.36 C ATOM 1267 OE1 GLN A 78 8.807 14.644 -2.457 1.00 2.22 O ATOM 1268 NE2 GLN A 78 8.609 15.758 -4.391 1.00 1.73 N ATOM 0 H GLN A 78 7.325 13.386 -1.874 1.00 0.41 H new ATOM 0 HA GLN A 78 6.351 12.675 -4.374 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.841 12.060 -2.785 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.586 11.250 -4.318 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.943 13.188 -4.721 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.367 13.475 -5.432 1.00 0.81 H new ATOM 0 HE21 GLN A 78 8.582 15.718 -5.410 1.00 1.73 H new ATOM 0 HE22 GLN A 78 8.513 16.654 -3.913 1.00 1.73 H new ATOM 1277 N PHE A 79 6.380 10.209 -2.198 1.00 0.36 N ATOM 1278 CA PHE A 79 5.897 8.861 -1.943 1.00 0.36 C ATOM 1279 C PHE A 79 4.375 8.812 -2.003 1.00 0.33 C ATOM 1280 O PHE A 79 3.796 7.989 -2.711 1.00 0.36 O ATOM 1281 CB PHE A 79 6.374 8.374 -0.573 1.00 0.42 C ATOM 1282 CG PHE A 79 7.659 7.603 -0.622 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.785 6.497 -1.446 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.737 7.974 0.166 1.00 1.29 C ATOM 1285 CE1 PHE A 79 8.965 5.782 -1.492 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.918 7.263 0.124 1.00 1.34 C ATOM 1287 CZ PHE A 79 10.030 6.163 -0.704 1.00 0.64 C ATOM 0 H PHE A 79 6.791 10.669 -1.386 1.00 0.36 H new ATOM 0 HA PHE A 79 6.300 8.206 -2.716 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.501 9.234 0.084 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.600 7.746 -0.131 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.951 6.190 -2.059 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.651 8.829 0.820 1.00 1.29 H new ATOM 0 HE1 PHE A 79 9.054 4.926 -2.144 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.754 7.566 0.737 1.00 1.34 H new ATOM 0 HZ PHE A 79 10.952 5.601 -0.734 1.00 0.64 H new ATOM 1297 N GLN A 80 3.741 9.720 -1.275 1.00 0.33 N ATOM 1298 CA GLN A 80 2.288 9.788 -1.215 1.00 0.38 C ATOM 1299 C GLN A 80 1.688 10.123 -2.579 1.00 0.33 C ATOM 1300 O GLN A 80 0.616 9.639 -2.930 1.00 0.39 O ATOM 1301 CB GLN A 80 1.869 10.820 -0.168 1.00 0.48 C ATOM 1302 CG GLN A 80 2.330 10.456 1.234 1.00 0.60 C ATOM 1303 CD GLN A 80 2.255 11.613 2.210 1.00 0.75 C ATOM 1304 OE1 GLN A 80 2.383 12.774 1.829 1.00 1.30 O ATOM 1305 NE2 GLN A 80 2.063 11.297 3.482 1.00 1.11 N ATOM 0 H GLN A 80 4.216 10.426 -0.713 1.00 0.33 H new ATOM 0 HA GLN A 80 1.906 8.809 -0.927 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.279 11.793 -0.439 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.783 10.918 -0.175 1.00 0.48 H new ATOM 0 HG2 GLN A 80 1.719 9.634 1.608 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.357 10.094 1.189 1.00 0.60 H new ATOM 0 HE21 GLN A 80 1.962 10.319 3.755 1.00 1.11 H new ATOM 0 HE22 GLN A 80 2.016 12.031 4.188 1.00 1.11 H new ATOM 1314 N ASP A 81 2.388 10.945 -3.349 1.00 0.33 N ATOM 1315 CA ASP A 81 1.926 11.327 -4.679 1.00 0.35 C ATOM 1316 C ASP A 81 1.953 10.127 -5.617 1.00 0.32 C ATOM 1317 O ASP A 81 0.960 9.817 -6.280 1.00 0.37 O ATOM 1318 CB ASP A 81 2.804 12.448 -5.250 1.00 0.41 C ATOM 1319 CG ASP A 81 2.441 12.808 -6.679 1.00 0.52 C ATOM 1320 OD1 ASP A 81 2.843 12.076 -7.608 1.00 1.16 O ATOM 1321 OD2 ASP A 81 1.748 13.825 -6.885 1.00 1.32 O ATOM 0 H ASP A 81 3.279 11.361 -3.076 1.00 0.33 H new ATOM 0 HA ASP A 81 0.901 11.687 -4.593 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.709 13.334 -4.622 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.849 12.140 -5.212 1.00 0.41 H new ATOM 1326 N SER A 82 3.092 9.448 -5.653 1.00 0.31 N ATOM 1327 CA SER A 82 3.273 8.289 -6.517 1.00 0.32 C ATOM 1328 C SER A 82 2.376 7.123 -6.105 1.00 0.29 C ATOM 1329 O SER A 82 1.745 6.488 -6.950 1.00 0.30 O ATOM 1330 CB SER A 82 4.736 7.852 -6.497 1.00 0.36 C ATOM 1331 OG SER A 82 5.596 8.939 -6.799 1.00 0.94 O ATOM 0 H SER A 82 3.910 9.682 -5.090 1.00 0.31 H new ATOM 0 HA SER A 82 2.988 8.582 -7.528 1.00 0.32 H new ATOM 0 HB2 SER A 82 4.985 7.448 -5.516 1.00 0.36 H new ATOM 0 HB3 SER A 82 4.890 7.051 -7.220 1.00 0.36 H new ATOM 0 HG SER A 82 5.674 9.522 -6.015 1.00 0.94 H new ATOM 1337 N PHE A 83 2.310 6.847 -4.813 1.00 0.27 N ATOM 1338 CA PHE A 83 1.494 5.745 -4.321 1.00 0.26 C ATOM 1339 C PHE A 83 0.011 6.096 -4.338 1.00 0.26 C ATOM 1340 O PHE A 83 -0.834 5.218 -4.466 1.00 0.30 O ATOM 1341 CB PHE A 83 1.926 5.342 -2.911 1.00 0.27 C ATOM 1342 CG PHE A 83 3.067 4.361 -2.894 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.888 3.063 -3.349 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.316 4.733 -2.422 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.933 2.157 -3.334 1.00 1.23 C ATOM 1346 CE2 PHE A 83 5.363 3.831 -2.405 1.00 1.22 C ATOM 1347 CZ PHE A 83 5.170 2.540 -2.861 1.00 0.37 C ATOM 0 H PHE A 83 2.807 7.366 -4.089 1.00 0.27 H new ATOM 0 HA PHE A 83 1.646 4.899 -4.992 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.216 6.236 -2.358 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.074 4.907 -2.388 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.921 2.756 -3.719 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.473 5.740 -2.063 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.780 1.150 -3.693 1.00 1.23 H new ATOM 0 HE2 PHE A 83 6.331 4.134 -2.036 1.00 1.22 H new ATOM 0 HZ PHE A 83 5.987 1.833 -2.847 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.303 7.378 -4.229 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.690 7.806 -4.226 1.00 0.30 C ATOM 1359 C GLY A 84 -2.391 7.575 -5.551 1.00 0.30 C ATOM 1360 O GLY A 84 -3.514 7.073 -5.585 1.00 0.34 O ATOM 0 H GLY A 84 0.378 8.132 -4.142 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.226 7.272 -3.441 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.735 8.867 -3.979 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.719 7.915 -6.646 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.299 7.758 -7.980 1.00 0.36 C ATOM 1366 C LYS A 85 -2.521 6.289 -8.340 1.00 0.34 C ATOM 1367 O LYS A 85 -3.403 5.965 -9.133 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.423 8.439 -9.042 1.00 0.42 C ATOM 1369 CG LYS A 85 0.074 8.230 -8.847 1.00 0.48 C ATOM 1370 CD LYS A 85 0.900 8.924 -9.924 1.00 0.62 C ATOM 1371 CE LYS A 85 0.546 10.400 -10.057 1.00 0.96 C ATOM 1372 NZ LYS A 85 0.655 11.137 -8.767 1.00 1.31 N ATOM 0 H LYS A 85 -0.775 8.300 -6.639 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.274 8.245 -7.962 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.706 8.063 -10.025 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.632 9.509 -9.038 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.367 8.608 -7.868 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.294 7.162 -8.855 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.959 8.826 -9.687 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.740 8.426 -10.880 1.00 0.62 H new ATOM 0 HE2 LYS A 85 1.205 10.863 -10.792 1.00 0.96 H new ATOM 0 HE3 LYS A 85 -0.471 10.492 -10.438 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 -0.144 11.797 -8.675 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 0.637 10.460 -7.978 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 1.548 11.670 -8.746 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.723 5.399 -7.765 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.867 3.977 -8.048 1.00 0.29 C ATOM 1388 C VAL A 86 -2.766 3.299 -7.014 1.00 0.27 C ATOM 1389 O VAL A 86 -3.348 2.245 -7.279 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.504 3.249 -8.112 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.353 3.812 -9.236 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.235 3.338 -6.787 1.00 0.31 C ATOM 0 H VAL A 86 -0.978 5.632 -7.108 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.332 3.904 -9.031 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.701 2.197 -8.316 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.307 3.286 -9.264 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.162 3.680 -10.187 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.528 4.874 -9.063 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.189 2.816 -6.867 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.413 4.384 -6.539 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.366 2.877 -6.003 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.892 3.922 -5.843 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.716 3.385 -4.767 1.00 0.30 C ATOM 1404 C ALA A 87 -5.175 3.314 -5.183 1.00 0.28 C ATOM 1405 O ALA A 87 -5.846 2.321 -4.922 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.569 4.225 -3.507 1.00 0.38 C ATOM 0 H ALA A 87 -2.431 4.803 -5.617 1.00 0.29 H new ATOM 0 HA ALA A 87 -3.370 2.373 -4.554 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -4.192 3.807 -2.716 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.527 4.222 -3.187 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.882 5.248 -3.713 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.656 4.368 -5.840 1.00 0.32 N ATOM 1413 CA ALA A 88 -7.043 4.425 -6.296 1.00 0.36 C ATOM 1414 C ALA A 88 -7.365 3.251 -7.214 1.00 0.34 C ATOM 1415 O ALA A 88 -8.473 2.710 -7.192 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.314 5.747 -7.003 1.00 0.45 C ATOM 0 H ALA A 88 -5.104 5.195 -6.069 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.692 4.357 -5.423 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.351 5.775 -7.337 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.132 6.572 -6.314 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.653 5.841 -7.864 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.385 2.851 -8.009 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.557 1.739 -8.926 1.00 0.32 C ATOM 1424 C GLU A 89 -6.500 0.414 -8.168 1.00 0.29 C ATOM 1425 O GLU A 89 -7.447 -0.369 -8.204 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.484 1.780 -10.020 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.597 0.654 -11.039 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.869 0.722 -11.866 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -7.968 0.543 -11.300 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -6.776 0.926 -13.094 1.00 1.56 O ATOM 0 H GLU A 89 -5.461 3.282 -8.036 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.535 1.824 -9.399 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.547 2.735 -10.541 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.500 1.736 -9.552 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.735 0.688 -11.706 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.560 -0.303 -10.519 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.402 0.195 -7.447 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.200 -1.038 -6.686 1.00 0.28 C ATOM 1439 C VAL A 90 -6.329 -1.286 -5.684 1.00 0.27 C ATOM 1440 O VAL A 90 -6.871 -2.390 -5.616 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.845 -1.022 -5.946 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.709 -2.229 -5.028 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.697 -0.985 -6.943 1.00 0.32 C ATOM 0 H VAL A 90 -4.633 0.861 -7.373 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.202 -1.853 -7.410 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.806 -0.122 -5.332 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.746 -2.193 -4.519 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.510 -2.216 -4.289 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.774 -3.144 -5.617 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.749 -0.974 -6.406 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.742 -1.867 -7.582 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.777 -0.088 -7.557 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.699 -0.254 -4.931 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.761 -0.374 -3.936 1.00 0.28 C ATOM 1455 C LEU A 91 -9.072 -0.776 -4.598 1.00 0.27 C ATOM 1456 O LEU A 91 -9.818 -1.596 -4.066 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.943 0.940 -3.169 1.00 0.31 C ATOM 1458 CG LEU A 91 -7.311 0.983 -1.772 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -8.042 0.044 -0.824 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.828 0.637 -1.832 1.00 0.89 C ATOM 0 H LEU A 91 -6.280 0.674 -4.991 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.471 -1.151 -3.228 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.521 1.749 -3.765 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -9.010 1.139 -3.072 1.00 0.31 H new ATOM 0 HG LEU A 91 -7.405 2.000 -1.391 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -7.579 0.089 0.162 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -9.087 0.345 -0.748 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.985 -0.975 -1.206 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.405 0.675 -0.828 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -5.705 -0.366 -2.240 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.313 1.354 -2.471 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.339 -0.208 -5.767 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.555 -0.529 -6.483 1.00 0.31 C ATOM 1474 C GLY A 92 -10.561 -1.957 -6.993 1.00 0.33 C ATOM 1475 O GLY A 92 -11.620 -2.564 -7.147 1.00 0.41 O ATOM 0 H GLY A 92 -8.734 0.469 -6.231 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.412 -0.376 -5.827 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.671 0.155 -7.323 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.375 -2.497 -7.249 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.244 -3.861 -7.744 1.00 0.37 C ATOM 1481 C ARG A 93 -9.359 -4.869 -6.606 1.00 0.37 C ATOM 1482 O ARG A 93 -10.147 -5.810 -6.679 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.903 -4.053 -8.457 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.624 -3.039 -9.555 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.767 -2.947 -10.555 1.00 0.95 C ATOM 1486 NE ARG A 93 -8.435 -2.070 -11.676 1.00 1.84 N ATOM 1487 CZ ARG A 93 -8.266 -2.486 -12.933 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -8.400 -3.769 -13.239 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -7.944 -1.615 -13.882 1.00 3.46 N ATOM 0 H ARG A 93 -8.488 -2.009 -7.121 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.055 -4.032 -8.452 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.102 -4.001 -7.719 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.875 -5.054 -8.888 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -7.454 -2.059 -9.108 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.708 -3.314 -10.077 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.004 -3.943 -10.930 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -9.660 -2.574 -10.054 1.00 0.95 H new ATOM 0 HE ARG A 93 -8.325 -1.074 -11.485 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -8.634 -4.445 -12.512 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -8.269 -4.080 -14.202 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -7.826 -0.629 -13.650 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -7.815 -1.932 -14.843 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.588 -4.664 -5.545 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.605 -5.585 -4.413 1.00 0.40 C ATOM 1505 C ILE A 94 -9.961 -5.597 -3.712 1.00 0.39 C ATOM 1506 O ILE A 94 -10.393 -6.631 -3.208 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.489 -5.281 -3.388 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.605 -3.853 -2.852 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -6.125 -5.505 -4.022 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.619 -3.540 -1.745 1.00 0.50 C ATOM 0 H ILE A 94 -7.948 -3.876 -5.444 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.419 -6.574 -4.831 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.603 -5.962 -2.545 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.452 -3.152 -3.673 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.618 -3.694 -2.481 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -5.345 -5.288 -3.292 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -6.041 -6.542 -4.347 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -6.011 -4.845 -4.882 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.759 -2.511 -1.414 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.786 -4.217 -0.907 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.602 -3.667 -2.117 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.648 -4.464 -3.713 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.955 -4.365 -3.065 1.00 0.40 C ATOM 1524 C ASN A 95 -13.012 -5.181 -3.813 1.00 0.43 C ATOM 1525 O ASN A 95 -14.066 -5.500 -3.262 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.392 -2.897 -2.963 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.667 -2.705 -2.156 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.655 -2.756 -0.924 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.770 -2.454 -2.844 1.00 0.79 N ATOM 0 H ASN A 95 -10.327 -3.601 -4.153 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.861 -4.778 -2.061 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.590 -2.317 -2.506 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.542 -2.499 -3.967 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.651 -2.294 -2.355 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.739 -2.420 -3.863 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.732 -5.542 -5.062 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.688 -6.314 -5.844 1.00 0.48 C ATOM 1538 C GLN A 96 -13.242 -7.768 -6.011 1.00 0.49 C ATOM 1539 O GLN A 96 -13.856 -8.525 -6.763 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.943 -5.658 -7.208 1.00 0.59 C ATOM 1541 CG GLN A 96 -12.728 -5.596 -8.120 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.016 -4.867 -9.419 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.432 -5.474 -10.405 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -12.800 -3.559 -9.432 1.00 1.14 N ATOM 0 H GLN A 96 -11.864 -5.316 -5.547 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.627 -6.323 -5.290 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -14.735 -6.207 -7.717 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.311 -4.645 -7.046 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -11.911 -5.096 -7.599 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.392 -6.609 -8.342 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.455 -3.091 -8.594 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -12.979 -3.021 -10.280 1.00 1.14 H new ATOM 1553 N GLU A 97 -12.180 -8.158 -5.308 1.00 0.42 N ATOM 1554 CA GLU A 97 -11.687 -9.535 -5.381 1.00 0.48 C ATOM 1555 C GLU A 97 -11.491 -10.125 -3.982 1.00 0.44 C ATOM 1556 O GLU A 97 -11.635 -11.335 -3.782 1.00 0.54 O ATOM 1557 CB GLU A 97 -10.376 -9.618 -6.178 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.275 -8.703 -5.667 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.903 -9.084 -6.187 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -7.347 -10.102 -5.727 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -7.369 -8.367 -7.056 1.00 1.33 O ATOM 0 H GLU A 97 -11.648 -7.548 -4.687 1.00 0.42 H new ATOM 0 HA GLU A 97 -12.443 -10.122 -5.903 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -10.016 -10.647 -6.157 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -10.582 -9.373 -7.220 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.497 -7.677 -5.960 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.265 -8.728 -4.577 1.00 0.74 H new ATOM 1568 N PHE A 98 -11.166 -9.268 -3.020 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.945 -9.694 -1.642 1.00 0.43 C ATOM 1570 C PHE A 98 -12.260 -10.089 -0.972 1.00 0.49 C ATOM 1571 O PHE A 98 -13.289 -9.441 -1.180 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.280 -8.571 -0.833 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.780 -8.501 -0.967 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -8.124 -9.121 -2.019 1.00 1.34 C ATOM 1575 CD2 PHE A 98 -8.025 -7.814 -0.028 1.00 1.22 C ATOM 1576 CE1 PHE A 98 -6.748 -9.055 -2.132 1.00 1.39 C ATOM 1577 CE2 PHE A 98 -6.649 -7.746 -0.135 1.00 1.21 C ATOM 1578 CZ PHE A 98 -6.010 -8.369 -1.189 1.00 0.56 C ATOM 0 H PHE A 98 -11.049 -8.266 -3.171 1.00 0.38 H new ATOM 0 HA PHE A 98 -10.287 -10.563 -1.666 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.704 -7.617 -1.145 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.531 -8.702 0.219 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.695 -9.662 -2.759 1.00 1.34 H new ATOM 0 HD2 PHE A 98 -8.520 -7.325 0.798 1.00 1.22 H new ATOM 0 HE1 PHE A 98 -6.250 -9.540 -2.958 1.00 1.39 H new ATOM 0 HE2 PHE A 98 -6.075 -7.207 0.604 1.00 1.21 H new ATOM 0 HZ PHE A 98 -4.935 -8.319 -1.275 1.00 0.56 H new ATOM 1588 N PRO A 99 -12.244 -11.172 -0.178 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.429 -11.647 0.548 1.00 0.70 C ATOM 1590 C PRO A 99 -13.874 -10.670 1.636 1.00 0.77 C ATOM 1591 O PRO A 99 -13.212 -9.663 1.891 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.966 -12.969 1.168 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.484 -12.861 1.236 1.00 0.82 C ATOM 1594 CD PRO A 99 -11.079 -12.038 0.049 1.00 0.63 C ATOM 0 HA PRO A 99 -14.292 -11.752 -0.109 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.398 -13.113 2.158 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.273 -13.820 0.559 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.169 -12.388 2.166 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -11.018 -13.846 1.206 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.179 -11.457 0.251 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.867 -12.662 -0.819 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.976 -10.999 2.299 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.548 -10.151 3.345 1.00 0.65 C ATOM 1604 C ARG A 100 -14.558 -9.868 4.474 1.00 0.61 C ATOM 1605 O ARG A 100 -14.426 -8.730 4.919 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.810 -10.807 3.915 1.00 0.83 C ATOM 1607 CG ARG A 100 -17.866 -11.100 2.863 1.00 1.54 C ATOM 1608 CD ARG A 100 -18.626 -9.846 2.466 1.00 2.05 C ATOM 1609 NE ARG A 100 -19.732 -9.565 3.384 1.00 2.97 N ATOM 1610 CZ ARG A 100 -21.017 -9.774 3.092 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -21.365 -10.273 1.909 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -21.952 -9.490 3.987 1.00 4.87 N ATOM 0 H ARG A 100 -15.499 -11.858 2.130 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.798 -9.195 2.885 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.534 -11.738 4.411 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.237 -10.154 4.676 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -17.392 -11.533 1.982 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -18.565 -11.843 3.246 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -17.943 -8.997 2.450 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -19.014 -9.962 1.454 1.00 2.05 H new ATOM 0 HE ARG A 100 -19.506 -9.186 4.304 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -20.648 -10.498 1.219 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -22.349 -10.431 1.691 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -21.689 -9.112 4.897 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -22.935 -9.649 3.766 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.850 -10.896 4.920 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.895 -10.740 6.015 1.00 0.66 C ATOM 1628 C ASP A 101 -11.717 -9.848 5.615 1.00 0.59 C ATOM 1629 O ASP A 101 -11.181 -9.113 6.443 1.00 0.70 O ATOM 1630 CB ASP A 101 -12.390 -12.108 6.493 1.00 0.84 C ATOM 1631 CG ASP A 101 -11.103 -12.537 5.817 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -11.172 -13.066 4.687 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -10.018 -12.351 6.413 1.00 2.35 O ATOM 0 H ASP A 101 -13.916 -11.842 4.545 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.418 -10.252 6.837 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.233 -12.074 7.571 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -13.159 -12.858 6.306 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.329 -9.892 4.346 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.204 -9.091 3.881 1.00 0.57 C ATOM 1640 C LEU A 102 -10.633 -7.666 3.546 1.00 0.54 C ATOM 1641 O LEU A 102 -9.879 -6.718 3.782 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.522 -9.741 2.673 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.715 -11.011 2.974 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.818 -11.371 1.797 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.890 -10.839 4.242 1.00 0.85 C ATOM 0 H LEU A 102 -11.771 -10.467 3.628 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.483 -9.044 4.698 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -10.285 -9.983 1.934 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.857 -9.009 2.216 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.418 -11.829 3.132 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.255 -12.274 2.032 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.431 -11.545 0.912 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -7.126 -10.552 1.603 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.326 -11.752 4.436 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -7.199 -10.005 4.116 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.553 -10.637 5.083 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.844 -7.508 3.011 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.347 -6.185 2.660 1.00 0.54 C ATOM 1659 C LYS A 103 -12.473 -5.326 3.914 1.00 0.52 C ATOM 1660 O LYS A 103 -12.259 -4.118 3.875 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.690 -6.274 1.912 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.901 -6.506 2.807 1.00 0.95 C ATOM 1663 CD LYS A 103 -16.184 -6.620 1.999 1.00 1.22 C ATOM 1664 CE LYS A 103 -16.585 -5.284 1.388 1.00 1.66 C ATOM 1665 NZ LYS A 103 -17.100 -4.333 2.412 1.00 2.36 N ATOM 0 H LYS A 103 -12.488 -8.274 2.814 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.633 -5.714 1.984 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.840 -5.351 1.352 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.632 -7.083 1.184 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.755 -7.416 3.388 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.991 -5.685 3.518 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.051 -7.357 1.207 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -16.987 -6.983 2.641 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -15.725 -4.843 0.884 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -17.350 -5.448 0.629 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -17.502 -3.498 1.940 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -17.837 -4.799 2.979 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -16.321 -4.037 3.034 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.797 -5.968 5.031 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.929 -5.271 6.302 1.00 0.56 C ATOM 1681 C LYS A 104 -11.576 -4.758 6.776 1.00 0.55 C ATOM 1682 O LYS A 104 -11.464 -3.649 7.299 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.517 -6.199 7.359 1.00 0.65 C ATOM 1684 CG LYS A 104 -15.008 -6.026 7.556 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.511 -6.904 8.685 1.00 1.34 C ATOM 1686 CE LYS A 104 -16.884 -6.465 9.157 1.00 1.98 C ATOM 1687 NZ LYS A 104 -17.393 -7.317 10.262 1.00 2.57 N ATOM 0 H LYS A 104 -12.973 -6.971 5.080 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.599 -4.424 6.154 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -13.314 -7.232 7.077 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.011 -6.022 8.308 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.231 -4.982 7.775 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -15.532 -6.277 6.634 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.554 -7.941 8.351 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -14.809 -6.866 9.518 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -16.838 -5.428 9.491 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -17.583 -6.500 8.321 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -18.333 -6.982 10.554 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -17.462 -8.302 9.937 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -16.741 -7.264 11.070 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.549 -5.571 6.576 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.202 -5.217 6.984 1.00 0.60 C ATOM 1703 C LYS A 105 -8.688 -4.032 6.174 1.00 0.52 C ATOM 1704 O LYS A 105 -8.102 -3.107 6.731 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.268 -6.425 6.846 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.560 -7.523 7.858 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.966 -8.856 7.436 1.00 1.26 C ATOM 1708 CE LYS A 105 -8.365 -9.957 8.398 1.00 1.76 C ATOM 1709 NZ LYS A 105 -7.997 -11.299 7.882 1.00 2.44 N ATOM 0 H LYS A 105 -10.626 -6.485 6.131 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.223 -4.921 8.033 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.358 -6.833 5.839 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.236 -6.095 6.965 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -8.157 -7.237 8.830 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.638 -7.628 7.979 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -8.304 -9.107 6.430 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.879 -8.778 7.397 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -7.881 -9.792 9.360 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -9.440 -9.916 8.571 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -7.484 -11.825 8.618 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.859 -11.819 7.622 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -7.390 -11.194 7.044 1.00 2.44 H new ATOM 1723 N LEU A 106 -8.937 -4.039 4.867 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.487 -2.941 4.019 1.00 0.52 C ATOM 1725 C LEU A 106 -9.326 -1.690 4.270 1.00 0.45 C ATOM 1726 O LEU A 106 -8.872 -0.572 4.022 1.00 0.46 O ATOM 1727 CB LEU A 106 -8.506 -3.332 2.527 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.884 -3.544 1.890 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -10.406 -2.252 1.275 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -9.814 -4.632 0.830 1.00 1.04 C ATOM 0 H LEU A 106 -9.440 -4.780 4.379 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.453 -2.719 4.282 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -7.987 -2.556 1.965 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -7.931 -4.250 2.408 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.574 -3.854 2.675 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -11.385 -2.430 0.830 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -10.493 -1.490 2.049 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -9.714 -1.910 0.505 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -10.800 -4.772 0.386 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.105 -4.340 0.055 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -9.487 -5.565 1.288 1.00 1.04 H new ATOM 1742 N SER A 107 -10.540 -1.881 4.785 1.00 0.45 N ATOM 1743 CA SER A 107 -11.429 -0.765 5.074 1.00 0.46 C ATOM 1744 C SER A 107 -10.809 0.156 6.119 1.00 0.47 C ATOM 1745 O SER A 107 -10.807 1.372 5.952 1.00 0.51 O ATOM 1746 CB SER A 107 -12.793 -1.268 5.551 1.00 0.54 C ATOM 1747 OG SER A 107 -13.488 -1.921 4.502 1.00 1.15 O ATOM 0 H SER A 107 -10.927 -2.798 5.009 1.00 0.45 H new ATOM 0 HA SER A 107 -11.574 -0.199 4.154 1.00 0.46 H new ATOM 0 HB2 SER A 107 -12.660 -1.955 6.387 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.386 -0.430 5.919 1.00 0.54 H new ATOM 0 HG SER A 107 -12.930 -2.639 4.137 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.254 -0.425 7.180 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.633 0.374 8.229 1.00 0.55 C ATOM 1755 C ARG A 108 -8.299 0.943 7.749 1.00 0.54 C ATOM 1756 O ARG A 108 -7.873 2.009 8.190 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.447 -0.442 9.516 1.00 0.67 C ATOM 1758 CG ARG A 108 -8.337 -1.479 9.460 1.00 1.10 C ATOM 1759 CD ARG A 108 -8.017 -2.018 10.846 1.00 1.49 C ATOM 1760 NE ARG A 108 -8.322 -3.445 10.973 1.00 2.15 N ATOM 1761 CZ ARG A 108 -8.092 -4.165 12.075 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -7.589 -3.592 13.165 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -8.381 -5.461 12.088 1.00 3.60 N ATOM 0 H ARG A 108 -10.222 -1.433 7.334 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.300 1.205 8.459 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -9.243 0.244 10.338 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -10.385 -0.947 9.748 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -8.635 -2.300 8.808 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -7.442 -1.035 9.024 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -6.961 -1.854 11.062 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -8.585 -1.460 11.590 1.00 1.49 H new ATOM 0 HE ARG A 108 -8.736 -3.919 10.170 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -7.375 -2.595 13.164 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -7.417 -4.150 14.001 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -8.777 -5.904 11.259 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -8.207 -6.014 12.927 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.656 0.238 6.822 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.379 0.682 6.277 1.00 0.60 C ATOM 1779 C VAL A 109 -6.574 1.936 5.434 1.00 0.57 C ATOM 1780 O VAL A 109 -5.850 2.918 5.591 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.702 -0.416 5.423 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.423 0.103 4.781 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.402 -1.645 6.267 1.00 1.25 C ATOM 0 H VAL A 109 -7.998 -0.641 6.434 1.00 0.53 H new ATOM 0 HA VAL A 109 -5.725 0.903 7.121 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.396 -0.697 4.630 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -3.967 -0.689 4.186 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -4.657 0.951 4.138 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -3.728 0.419 5.559 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -4.926 -2.405 5.647 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.733 -1.372 7.083 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.331 -2.041 6.677 1.00 1.25 H new ATOM 1793 N VAL A 110 -7.572 1.907 4.558 1.00 0.54 N ATOM 1794 CA VAL A 110 -7.858 3.046 3.696 1.00 0.59 C ATOM 1795 C VAL A 110 -8.553 4.158 4.481 1.00 0.54 C ATOM 1796 O VAL A 110 -8.471 5.336 4.120 1.00 0.54 O ATOM 1797 CB VAL A 110 -8.714 2.640 2.469 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.156 2.346 2.859 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -8.660 3.717 1.395 1.00 1.06 C ATOM 0 H VAL A 110 -8.194 1.110 4.427 1.00 0.54 H new ATOM 0 HA VAL A 110 -6.903 3.419 3.326 1.00 0.59 H new ATOM 0 HB VAL A 110 -8.289 1.722 2.064 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -10.723 2.065 1.971 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -10.179 1.527 3.578 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -10.600 3.235 3.307 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.267 3.412 0.543 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -9.046 4.653 1.799 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -7.628 3.858 1.073 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.225 3.782 5.565 1.00 0.55 N ATOM 1810 CA ASN A 111 -9.925 4.747 6.401 1.00 0.59 C ATOM 1811 C ASN A 111 -8.937 5.694 7.061 1.00 0.57 C ATOM 1812 O ASN A 111 -9.102 6.913 7.005 1.00 0.60 O ATOM 1813 CB ASN A 111 -10.759 4.039 7.470 1.00 0.68 C ATOM 1814 CG ASN A 111 -11.539 5.009 8.334 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -12.431 5.709 7.855 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -11.209 5.056 9.612 1.00 1.74 N ATOM 0 H ASN A 111 -9.299 2.816 5.884 1.00 0.55 H new ATOM 0 HA ASN A 111 -10.595 5.322 5.761 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -11.452 3.349 6.988 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.102 3.442 8.102 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -11.700 5.690 10.243 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -10.463 4.458 9.968 1.00 1.74 H new ATOM 1823 N ILE A 112 -7.890 5.134 7.655 1.00 0.57 N ATOM 1824 CA ILE A 112 -6.880 5.940 8.323 1.00 0.61 C ATOM 1825 C ILE A 112 -6.158 6.847 7.324 1.00 0.57 C ATOM 1826 O ILE A 112 -5.673 7.918 7.683 1.00 0.62 O ATOM 1827 CB ILE A 112 -5.863 5.060 9.094 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -5.208 5.870 10.217 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -4.801 4.488 8.162 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -4.422 5.024 11.196 1.00 1.21 C ATOM 0 H ILE A 112 -7.720 4.129 7.687 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.394 6.567 9.052 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.407 4.222 9.530 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -4.543 6.614 9.777 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -5.981 6.414 10.759 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.105 3.876 8.736 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -5.279 3.874 7.399 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -4.259 5.304 7.684 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -3.987 5.665 11.963 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.086 4.298 11.664 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -3.626 4.500 10.667 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.123 6.430 6.060 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.462 7.205 5.018 1.00 0.52 C ATOM 1844 C LEU A 113 -6.206 8.510 4.752 1.00 0.48 C ATOM 1845 O LEU A 113 -5.591 9.566 4.600 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.350 6.392 3.723 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.560 5.086 3.841 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.531 4.362 2.506 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.144 5.352 4.335 1.00 1.27 C ATOM 0 H LEU A 113 -6.545 5.560 5.735 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.458 7.444 5.369 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.355 6.160 3.370 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -4.881 7.015 2.961 1.00 0.56 H new ATOM 0 HG LEU A 113 -5.060 4.449 4.571 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.966 3.436 2.607 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.550 4.133 2.194 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.057 4.997 1.758 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.602 4.409 4.411 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.631 6.010 3.633 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.184 5.828 5.315 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.532 8.444 4.714 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.331 9.635 4.463 1.00 0.50 C ATOM 1863 C LYS A 114 -8.570 10.416 5.754 1.00 0.52 C ATOM 1864 O LYS A 114 -8.763 11.631 5.725 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.660 9.282 3.779 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.575 8.372 4.583 1.00 0.69 C ATOM 1867 CD LYS A 114 -11.860 8.088 3.821 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.873 7.346 4.676 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.158 7.137 3.954 1.00 1.69 N ATOM 0 H LYS A 114 -8.070 7.589 4.852 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.768 10.274 3.782 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.194 10.206 3.558 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.444 8.803 2.824 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.062 7.435 4.802 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.810 8.838 5.540 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -12.293 9.027 3.477 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -11.633 7.498 2.933 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.461 6.381 4.972 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -13.058 7.908 5.591 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.823 6.628 4.570 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.564 8.058 3.693 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -13.986 6.579 3.094 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.545 9.719 6.885 1.00 0.54 N ATOM 1884 CA GLU A 115 -8.742 10.359 8.183 1.00 0.61 C ATOM 1885 C GLU A 115 -7.531 11.206 8.559 1.00 0.61 C ATOM 1886 O GLU A 115 -7.667 12.262 9.173 1.00 0.71 O ATOM 1887 CB GLU A 115 -8.997 9.310 9.266 1.00 0.68 C ATOM 1888 CG GLU A 115 -10.415 8.764 9.264 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.451 9.825 9.572 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.538 10.255 10.742 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -12.188 10.231 8.646 1.00 2.20 O ATOM 0 H GLU A 115 -8.391 8.712 6.930 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.614 11.009 8.107 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.299 8.484 9.131 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -8.787 9.749 10.241 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -10.629 8.325 8.290 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -10.492 7.963 9.999 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.349 10.738 8.184 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.114 11.455 8.484 1.00 0.62 C ATOM 1900 C ARG A 116 -4.708 12.355 7.321 1.00 0.58 C ATOM 1901 O ARG A 116 -3.658 12.997 7.366 1.00 0.63 O ATOM 1902 CB ARG A 116 -3.987 10.466 8.790 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.282 9.540 9.963 1.00 0.80 C ATOM 1904 CD ARG A 116 -4.337 10.305 11.275 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.041 10.880 11.623 1.00 1.74 N ATOM 1906 CZ ARG A 116 -2.875 11.897 12.462 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -3.928 12.487 13.015 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -1.653 12.328 12.748 1.00 3.23 N ATOM 0 H ARG A 116 -6.217 9.866 7.672 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.292 12.079 9.360 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -3.795 9.863 7.903 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.074 11.024 9.000 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.232 9.031 9.797 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -3.514 8.769 10.022 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -5.079 11.100 11.201 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -4.664 9.637 12.072 1.00 1.19 H new ATOM 0 HE ARG A 116 -2.209 10.475 11.194 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -4.869 12.160 12.796 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -3.796 13.267 13.658 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -0.841 11.879 12.324 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -1.525 13.109 13.392 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.555 12.392 6.290 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.309 13.198 5.092 1.00 0.52 C ATOM 1924 C ASN A 117 -3.923 12.903 4.527 1.00 0.50 C ATOM 1925 O ASN A 117 -3.080 13.794 4.391 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.458 14.692 5.403 1.00 0.63 C ATOM 1927 CG ASN A 117 -5.726 15.520 4.161 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -4.804 16.039 3.531 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -6.993 15.657 3.803 1.00 1.74 N ATOM 0 H ASN A 117 -6.428 11.866 6.262 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.052 12.931 4.341 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -6.274 14.833 6.112 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.550 15.052 5.886 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -7.233 16.208 2.979 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.729 15.211 4.351 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.688 11.633 4.228 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.409 11.193 3.692 1.00 0.48 C ATOM 1938 C ILE A 118 -2.236 11.642 2.246 1.00 0.47 C ATOM 1939 O ILE A 118 -1.189 12.169 1.872 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.271 9.655 3.773 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.376 9.182 5.228 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -0.958 9.195 3.155 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.264 9.685 6.124 1.00 0.61 C ATOM 0 H ILE A 118 -4.372 10.886 4.349 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.629 11.651 4.301 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.088 9.210 3.205 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.333 9.508 5.636 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.377 8.092 5.245 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.884 8.110 3.224 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -0.924 9.495 2.108 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.125 9.650 3.690 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.412 9.306 7.135 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.304 9.337 5.743 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.275 10.775 6.140 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.269 11.442 1.443 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.219 11.816 0.035 1.00 0.47 C ATOM 1957 C PHE A 119 -4.042 13.074 -0.226 1.00 0.49 C ATOM 1958 O PHE A 119 -4.774 13.540 0.647 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.737 10.675 -0.846 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.099 9.342 -0.572 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.738 9.159 -0.744 1.00 1.26 C ATOM 1962 CD2 PHE A 119 -3.867 8.271 -0.148 1.00 1.12 C ATOM 1963 CE1 PHE A 119 -1.154 7.931 -0.501 1.00 1.26 C ATOM 1964 CE2 PHE A 119 -3.289 7.041 0.098 1.00 1.13 C ATOM 1965 CZ PHE A 119 -1.931 6.870 -0.079 1.00 0.44 C ATOM 0 H PHE A 119 -4.151 11.024 1.739 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.178 12.018 -0.216 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.814 10.584 -0.706 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.572 10.935 -1.891 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.125 9.986 -1.072 1.00 1.26 H new ATOM 0 HD2 PHE A 119 -4.930 8.399 -0.008 1.00 1.12 H new ATOM 0 HE1 PHE A 119 -0.091 7.801 -0.641 1.00 1.26 H new ATOM 0 HE2 PHE A 119 -3.899 6.214 0.429 1.00 1.13 H new ATOM 0 HZ PHE A 119 -1.477 5.909 0.112 1.00 0.44 H new ATOM 1975 N SER A 120 -3.909 13.616 -1.431 1.00 0.51 N ATOM 1976 CA SER A 120 -4.644 14.806 -1.827 1.00 0.55 C ATOM 1977 C SER A 120 -6.142 14.506 -1.896 1.00 0.50 C ATOM 1978 O SER A 120 -6.539 13.394 -2.248 1.00 0.48 O ATOM 1979 CB SER A 120 -4.135 15.278 -3.187 1.00 0.63 C ATOM 1980 OG SER A 120 -2.937 14.601 -3.534 1.00 1.30 O ATOM 0 H SER A 120 -3.293 13.245 -2.154 1.00 0.51 H new ATOM 0 HA SER A 120 -4.487 15.592 -1.088 1.00 0.55 H new ATOM 0 HB2 SER A 120 -4.894 15.098 -3.948 1.00 0.63 H new ATOM 0 HB3 SER A 120 -3.957 16.353 -3.162 1.00 0.63 H new ATOM 0 HG SER A 120 -2.626 14.914 -4.409 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.969 15.499 -1.576 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.422 15.330 -1.590 1.00 0.56 C ATOM 1988 C LYS A 121 -8.917 14.878 -2.966 1.00 0.53 C ATOM 1989 O LYS A 121 -9.916 14.167 -3.077 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.109 16.638 -1.181 1.00 0.70 C ATOM 1991 CG LYS A 121 -8.858 17.800 -2.135 1.00 1.23 C ATOM 1992 CD LYS A 121 -9.114 19.141 -1.463 1.00 1.78 C ATOM 1993 CE LYS A 121 -10.573 19.305 -1.066 1.00 2.37 C ATOM 1994 NZ LYS A 121 -10.844 20.647 -0.489 1.00 2.85 N ATOM 0 H LYS A 121 -6.658 16.431 -1.303 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.678 14.552 -0.871 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -10.183 16.465 -1.112 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -8.766 16.919 -0.185 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -7.829 17.762 -2.493 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -9.503 17.701 -3.008 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -8.484 19.230 -0.578 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -8.829 19.947 -2.139 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -11.206 19.151 -1.940 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -10.840 18.537 -0.340 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -11.849 20.718 -0.232 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -10.259 20.785 0.360 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -10.614 21.379 -1.191 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.188 15.272 -4.005 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.537 14.923 -5.378 1.00 0.67 C ATOM 2010 C GLN A 122 -8.572 13.412 -5.581 1.00 0.60 C ATOM 2011 O GLN A 122 -9.530 12.873 -6.141 1.00 0.73 O ATOM 2012 CB GLN A 122 -7.540 15.553 -6.348 1.00 0.80 C ATOM 2013 CG GLN A 122 -7.682 17.058 -6.469 1.00 1.48 C ATOM 2014 CD GLN A 122 -6.376 17.739 -6.816 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -5.306 17.326 -6.372 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.453 18.785 -7.620 1.00 2.69 N ATOM 0 H GLN A 122 -7.344 15.839 -3.921 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.536 15.313 -5.576 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -6.528 15.317 -6.020 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -7.669 15.103 -7.333 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -8.423 17.289 -7.235 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -8.059 17.461 -5.529 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.360 19.096 -7.967 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -5.605 19.281 -7.894 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.536 12.732 -5.110 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.453 11.287 -5.257 1.00 0.53 C ATOM 2027 C VAL A 123 -8.204 10.572 -4.136 1.00 0.48 C ATOM 2028 O VAL A 123 -8.757 9.497 -4.349 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.985 10.795 -5.327 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.260 11.002 -4.006 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -5.924 9.335 -5.752 1.00 1.28 C ATOM 0 H VAL A 123 -6.745 13.156 -4.625 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.931 11.038 -6.205 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.474 11.395 -6.080 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.234 10.645 -4.094 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.255 12.063 -3.756 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.771 10.447 -3.220 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -4.884 9.012 -5.794 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -6.465 8.723 -5.030 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -6.379 9.223 -6.736 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.246 11.177 -2.952 1.00 0.48 N ATOM 2042 CA VAL A 124 -8.952 10.580 -1.822 1.00 0.49 C ATOM 2043 C VAL A 124 -10.427 10.378 -2.163 1.00 0.47 C ATOM 2044 O VAL A 124 -11.004 9.322 -1.884 1.00 0.50 O ATOM 2045 CB VAL A 124 -8.829 11.449 -0.550 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -9.827 11.017 0.515 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -7.415 11.391 0.003 1.00 1.11 C ATOM 0 H VAL A 124 -7.803 12.074 -2.751 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.488 9.614 -1.622 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.056 12.478 -0.830 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -9.714 11.648 1.397 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -10.840 11.115 0.125 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -9.642 9.978 0.787 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -7.349 12.009 0.898 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -7.165 10.360 0.254 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -6.716 11.762 -0.746 1.00 1.11 H new ATOM 2057 N ASN A 125 -11.017 11.385 -2.797 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.423 11.335 -3.187 1.00 0.50 C ATOM 2059 C ASN A 125 -12.653 10.290 -4.279 1.00 0.49 C ATOM 2060 O ASN A 125 -13.773 9.821 -4.480 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.889 12.710 -3.670 1.00 0.58 C ATOM 2062 CG ASN A 125 -14.383 12.910 -3.499 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -15.178 12.474 -4.330 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -14.772 13.580 -2.427 1.00 1.74 N ATOM 0 H ASN A 125 -10.542 12.250 -3.053 1.00 0.47 H new ATOM 0 HA ASN A 125 -13.006 11.049 -2.312 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -12.356 13.485 -3.119 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.628 12.830 -4.721 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -15.764 13.752 -2.265 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.080 13.925 -1.762 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.585 9.918 -4.978 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.679 8.922 -6.040 1.00 0.48 C ATOM 2073 C ASP A 126 -11.617 7.517 -5.453 1.00 0.45 C ATOM 2074 O ASP A 126 -12.290 6.602 -5.927 1.00 0.48 O ATOM 2075 CB ASP A 126 -10.560 9.106 -7.069 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.746 8.212 -8.283 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -11.834 8.261 -8.901 1.00 1.44 O ATOM 2078 OD2 ASP A 126 -9.812 7.460 -8.628 1.00 1.43 O ATOM 0 H ASP A 126 -10.647 10.290 -4.829 1.00 0.47 H new ATOM 0 HA ASP A 126 -12.635 9.058 -6.545 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -10.529 10.148 -7.388 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.600 8.887 -6.602 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.814 7.354 -4.410 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.671 6.061 -3.755 1.00 0.42 C ATOM 2085 C ILE A 127 -11.960 5.668 -3.041 1.00 0.43 C ATOM 2086 O ILE A 127 -12.488 4.574 -3.252 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.513 6.053 -2.731 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.227 6.593 -3.364 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.290 4.641 -2.201 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.075 6.714 -2.389 1.00 0.46 C ATOM 0 H ILE A 127 -10.252 8.100 -4.000 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.447 5.340 -4.541 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.784 6.703 -1.899 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.932 5.937 -4.183 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.429 7.572 -3.798 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.472 4.648 -1.481 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.199 4.287 -1.715 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.039 3.977 -3.028 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.199 7.103 -2.908 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.351 7.394 -1.583 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -6.845 5.733 -1.974 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.479 6.574 -2.218 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.699 6.306 -1.462 1.00 0.51 C ATOM 2104 C GLU A 128 -14.888 6.023 -2.382 1.00 0.52 C ATOM 2105 O GLU A 128 -15.702 5.142 -2.093 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.018 7.464 -0.507 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.152 8.818 -1.183 1.00 1.04 C ATOM 2108 CD GLU A 128 -15.436 9.527 -0.810 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -15.476 10.167 0.259 1.00 2.05 O ATOM 2110 OE2 GLU A 128 -16.410 9.441 -1.582 1.00 1.75 O ATOM 0 H GLU A 128 -12.076 7.497 -2.057 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.521 5.408 -0.870 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -14.947 7.240 0.018 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.233 7.524 0.246 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.302 9.443 -0.908 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.114 8.686 -2.264 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.979 6.742 -3.499 1.00 0.55 N ATOM 2118 CA ARG A 129 -16.085 6.541 -4.426 1.00 0.64 C ATOM 2119 C ARG A 129 -15.942 5.205 -5.154 1.00 0.59 C ATOM 2120 O ARG A 129 -16.938 4.544 -5.436 1.00 0.62 O ATOM 2121 CB ARG A 129 -16.200 7.702 -5.424 1.00 0.77 C ATOM 2122 CG ARG A 129 -15.112 7.722 -6.483 1.00 1.07 C ATOM 2123 CD ARG A 129 -15.381 8.779 -7.539 1.00 1.55 C ATOM 2124 NE ARG A 129 -15.375 10.123 -6.973 1.00 2.26 N ATOM 2125 CZ ARG A 129 -15.999 11.161 -7.522 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -16.686 11.009 -8.645 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -15.946 12.349 -6.934 1.00 3.98 N ATOM 0 H ARG A 129 -14.309 7.459 -3.780 1.00 0.55 H new ATOM 0 HA ARG A 129 -17.007 6.517 -3.845 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -17.171 7.648 -5.917 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -16.174 8.643 -4.874 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -14.148 7.914 -6.012 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -15.046 6.742 -6.956 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -14.626 8.711 -8.322 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -16.346 8.587 -8.009 1.00 1.55 H new ATOM 0 HE ARG A 129 -14.862 10.276 -6.105 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -16.738 10.093 -9.091 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -17.163 11.808 -9.063 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -15.428 12.464 -6.063 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -16.424 13.147 -7.353 1.00 3.98 H new ATOM 2141 N SER A 130 -14.706 4.792 -5.428 1.00 0.56 N ATOM 2142 CA SER A 130 -14.467 3.527 -6.113 1.00 0.57 C ATOM 2143 C SER A 130 -14.924 2.360 -5.241 1.00 0.54 C ATOM 2144 O SER A 130 -15.497 1.385 -5.733 1.00 0.60 O ATOM 2145 CB SER A 130 -12.984 3.379 -6.471 1.00 0.58 C ATOM 2146 OG SER A 130 -12.577 4.389 -7.383 1.00 0.70 O ATOM 0 H SER A 130 -13.862 5.311 -5.188 1.00 0.56 H new ATOM 0 HA SER A 130 -15.044 3.519 -7.037 1.00 0.57 H new ATOM 0 HB2 SER A 130 -12.380 3.437 -5.565 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.808 2.396 -6.909 1.00 0.58 H new ATOM 0 HG SER A 130 -12.243 5.164 -6.885 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.684 2.481 -3.937 1.00 0.49 N ATOM 2153 CA LEU A 131 -15.079 1.448 -2.985 1.00 0.50 C ATOM 2154 C LEU A 131 -16.600 1.347 -2.928 1.00 0.52 C ATOM 2155 O LEU A 131 -17.163 0.253 -2.873 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.524 1.754 -1.587 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.008 1.958 -1.509 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.602 2.423 -0.119 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -12.272 0.679 -1.880 1.00 1.33 C ATOM 0 H LEU A 131 -14.218 3.285 -3.516 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.666 0.496 -3.320 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -15.014 2.652 -1.209 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -14.798 0.937 -0.920 1.00 0.52 H new ATOM 0 HG LEU A 131 -12.731 2.731 -2.226 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.522 2.562 -0.083 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -13.097 3.367 0.108 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.896 1.673 0.616 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -11.197 0.847 -1.818 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.555 -0.117 -1.191 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -12.536 0.389 -2.897 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.257 2.500 -2.963 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.710 2.557 -2.920 1.00 0.62 C ATOM 2173 C ALA A 132 -19.318 2.090 -4.241 1.00 0.64 C ATOM 2174 O ALA A 132 -20.388 1.482 -4.259 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.169 3.969 -2.586 1.00 0.68 C ATOM 0 H ALA A 132 -16.802 3.411 -3.021 1.00 0.56 H new ATOM 0 HA ALA A 132 -19.057 1.882 -2.138 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.258 4.000 -2.556 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.771 4.261 -1.614 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.807 4.659 -3.348 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.628 2.374 -5.341 1.00 0.66 N ATOM 2182 CA ALA A 133 -19.088 1.980 -6.670 1.00 0.73 C ATOM 2183 C ALA A 133 -19.172 0.463 -6.795 1.00 0.73 C ATOM 2184 O ALA A 133 -20.095 -0.071 -7.410 1.00 0.84 O ATOM 2185 CB ALA A 133 -18.161 2.547 -7.736 1.00 0.84 C ATOM 0 H ALA A 133 -17.742 2.879 -5.338 1.00 0.66 H new ATOM 0 HA ALA A 133 -20.089 2.386 -6.817 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -18.514 2.247 -8.722 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -18.152 3.635 -7.669 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -17.152 2.166 -7.580 1.00 0.84 H new ATOM 2191 N ALA A 134 -18.217 -0.226 -6.183 1.00 0.68 N ATOM 2192 CA ALA A 134 -18.179 -1.680 -6.223 1.00 0.74 C ATOM 2193 C ALA A 134 -19.299 -2.277 -5.376 1.00 0.84 C ATOM 2194 O ALA A 134 -19.643 -3.450 -5.518 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.823 -2.182 -5.748 1.00 0.72 C ATOM 0 H ALA A 134 -17.458 0.201 -5.652 1.00 0.68 H new ATOM 0 HA ALA A 134 -18.330 -2.001 -7.254 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.806 -3.271 -5.782 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -16.041 -1.786 -6.396 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.649 -1.848 -4.725 1.00 0.72 H new ATOM 2201 N LEU A 135 -19.871 -1.460 -4.500 1.00 0.73 N ATOM 2202 CA LEU A 135 -20.953 -1.906 -3.634 1.00 0.91 C ATOM 2203 C LEU A 135 -22.306 -1.630 -4.282 1.00 1.26 C ATOM 2204 O LEU A 135 -23.353 -1.964 -3.727 1.00 1.57 O ATOM 2205 CB LEU A 135 -20.873 -1.216 -2.269 1.00 2.01 C ATOM 2206 CG LEU A 135 -19.546 -1.390 -1.523 1.00 2.93 C ATOM 2207 CD1 LEU A 135 -19.578 -0.644 -0.197 1.00 4.04 C ATOM 2208 CD2 LEU A 135 -19.245 -2.867 -1.301 1.00 3.38 C ATOM 0 H LEU A 135 -19.603 -0.484 -4.371 1.00 0.73 H new ATOM 0 HA LEU A 135 -20.848 -2.981 -3.487 1.00 0.91 H new ATOM 0 HB2 LEU A 135 -21.055 -0.150 -2.408 1.00 2.01 H new ATOM 0 HB3 LEU A 135 -21.677 -1.598 -1.640 1.00 2.01 H new ATOM 0 HG LEU A 135 -18.749 -0.968 -2.135 1.00 2.93 H new ATOM 0 HD11 LEU A 135 -18.627 -0.779 0.319 1.00 4.04 H new ATOM 0 HD12 LEU A 135 -19.744 0.418 -0.381 1.00 4.04 H new ATOM 0 HD13 LEU A 135 -20.385 -1.036 0.422 1.00 4.04 H new ATOM 0 HD21 LEU A 135 -18.299 -2.970 -0.770 1.00 3.38 H new ATOM 0 HD22 LEU A 135 -20.043 -3.316 -0.710 1.00 3.38 H new ATOM 0 HD23 LEU A 135 -19.177 -3.373 -2.264 1.00 3.38 H new ATOM 2220 N GLU A 136 -22.274 -1.033 -5.468 1.00 2.14 N ATOM 2221 CA GLU A 136 -23.491 -0.714 -6.203 1.00 3.37 C ATOM 2222 C GLU A 136 -23.993 -1.933 -6.971 1.00 4.00 C ATOM 2223 O GLU A 136 -24.962 -1.847 -7.724 1.00 5.01 O ATOM 2224 CB GLU A 136 -23.252 0.450 -7.164 1.00 4.37 C ATOM 2225 CG GLU A 136 -22.989 1.773 -6.469 1.00 4.99 C ATOM 2226 CD GLU A 136 -23.078 2.955 -7.415 1.00 5.94 C ATOM 2227 OE1 GLU A 136 -22.056 3.305 -8.043 1.00 6.64 O ATOM 2228 OE2 GLU A 136 -24.173 3.544 -7.534 1.00 6.28 O ATOM 0 H GLU A 136 -21.414 -0.759 -5.942 1.00 2.14 H new ATOM 0 HA GLU A 136 -24.253 -0.419 -5.481 1.00 3.37 H new ATOM 0 HB2 GLU A 136 -22.403 0.212 -7.805 1.00 4.37 H new ATOM 0 HB3 GLU A 136 -24.121 0.558 -7.813 1.00 4.37 H new ATOM 0 HG2 GLU A 136 -23.708 1.904 -5.661 1.00 4.99 H new ATOM 0 HG3 GLU A 136 -21.999 1.750 -6.014 1.00 4.99 H new ATOM 2235 N HIS A 137 -23.319 -3.062 -6.764 1.00 3.80 N ATOM 2236 CA HIS A 137 -23.674 -4.332 -7.403 1.00 4.84 C ATOM 2237 C HIS A 137 -23.500 -4.253 -8.911 1.00 4.89 C ATOM 2238 O HIS A 137 -24.513 -4.157 -9.630 1.00 5.24 O ATOM 2239 CB HIS A 137 -25.112 -4.751 -7.052 1.00 5.45 C ATOM 2240 CG HIS A 137 -25.383 -4.813 -5.586 1.00 6.36 C ATOM 2241 ND1 HIS A 137 -24.515 -5.385 -4.684 1.00 7.10 N ATOM 2242 CD2 HIS A 137 -26.428 -4.351 -4.864 1.00 6.97 C ATOM 2243 CE1 HIS A 137 -25.012 -5.267 -3.469 1.00 8.00 C ATOM 2244 NE2 HIS A 137 -26.171 -4.644 -3.550 1.00 7.94 N ATOM 0 H HIS A 137 -22.509 -3.125 -6.147 1.00 3.80 H new ATOM 0 HA HIS A 137 -22.994 -5.092 -7.018 1.00 4.84 H new ATOM 0 HB2 HIS A 137 -25.807 -4.048 -7.511 1.00 5.45 H new ATOM 0 HB3 HIS A 137 -25.312 -5.729 -7.490 1.00 5.45 H new ATOM 0 HD2 HIS A 137 -27.301 -3.846 -5.250 1.00 6.97 H new ATOM 0 HE1 HIS A 137 -24.548 -5.621 -2.560 1.00 8.00 H new ATOM 0 HE2 HIS A 137 -26.778 -4.417 -2.762 1.00 7.94 H new TER 2253 HIS A 137 ATOM 2254 N PRO B 206 1.768 -12.418 13.601 1.00 6.87 N ATOM 2255 CA PRO B 206 1.762 -11.376 14.657 1.00 6.09 C ATOM 2256 C PRO B 206 0.661 -10.333 14.449 1.00 5.34 C ATOM 2257 O PRO B 206 0.323 -9.603 15.383 1.00 4.88 O ATOM 2258 CB PRO B 206 3.124 -10.724 14.693 1.00 6.19 C ATOM 2259 CG PRO B 206 4.000 -11.808 14.185 1.00 7.03 C ATOM 2260 CD PRO B 206 3.178 -12.561 13.158 1.00 7.47 C ATOM 0 HA PRO B 206 1.546 -11.853 15.613 1.00 6.09 H new ATOM 0 HB2 PRO B 206 3.168 -9.836 14.063 1.00 6.19 H new ATOM 0 HB3 PRO B 206 3.401 -10.414 15.701 1.00 6.19 H new ATOM 0 HG2 PRO B 206 4.906 -11.400 13.737 1.00 7.03 H new ATOM 0 HG3 PRO B 206 4.314 -12.468 14.994 1.00 7.03 H new ATOM 0 HD2 PRO B 206 3.320 -12.146 12.160 1.00 7.47 H new ATOM 0 HD3 PRO B 206 3.471 -13.610 13.112 1.00 7.47 H new ATOM 2269 N SER B 207 0.118 -10.259 13.230 1.00 5.41 N ATOM 2270 CA SER B 207 -0.965 -9.328 12.893 1.00 4.96 C ATOM 2271 C SER B 207 -0.484 -7.876 12.806 1.00 4.06 C ATOM 2272 O SER B 207 0.078 -7.320 13.753 1.00 3.56 O ATOM 2273 CB SER B 207 -2.123 -9.455 13.893 1.00 5.13 C ATOM 2274 OG SER B 207 -2.612 -10.789 13.936 1.00 6.02 O ATOM 0 H SER B 207 0.416 -10.843 12.448 1.00 5.41 H new ATOM 0 HA SER B 207 -1.323 -9.605 11.902 1.00 4.96 H new ATOM 0 HB2 SER B 207 -1.786 -9.155 14.885 1.00 5.13 H new ATOM 0 HB3 SER B 207 -2.929 -8.777 13.611 1.00 5.13 H new ATOM 0 HG SER B 207 -3.348 -10.847 14.581 1.00 6.02 H new ATOM 2280 N TYR B 208 -0.726 -7.261 11.657 1.00 4.07 N ATOM 2281 CA TYR B 208 -0.327 -5.878 11.416 1.00 3.41 C ATOM 2282 C TYR B 208 -1.547 -4.965 11.340 1.00 3.00 C ATOM 2283 O TYR B 208 -2.481 -5.238 10.581 1.00 3.53 O ATOM 2284 CB TYR B 208 0.462 -5.795 10.102 1.00 3.93 C ATOM 2285 CG TYR B 208 0.840 -4.387 9.679 1.00 3.62 C ATOM 2286 CD1 TYR B 208 -0.036 -3.594 8.941 1.00 3.72 C ATOM 2287 CD2 TYR B 208 2.077 -3.857 10.008 1.00 3.62 C ATOM 2288 CE1 TYR B 208 0.314 -2.317 8.548 1.00 3.76 C ATOM 2289 CE2 TYR B 208 2.435 -2.581 9.617 1.00 3.66 C ATOM 2290 CZ TYR B 208 1.548 -1.813 8.889 1.00 3.70 C ATOM 2291 OH TYR B 208 1.901 -0.543 8.497 1.00 4.04 O ATOM 0 H TYR B 208 -1.201 -7.701 10.869 1.00 4.07 H new ATOM 0 HA TYR B 208 0.299 -5.548 12.245 1.00 3.41 H new ATOM 0 HB2 TYR B 208 1.372 -6.387 10.202 1.00 3.93 H new ATOM 0 HB3 TYR B 208 -0.130 -6.252 9.309 1.00 3.93 H new ATOM 0 HD1 TYR B 208 -1.006 -3.985 8.671 1.00 3.72 H new ATOM 0 HD2 TYR B 208 2.774 -4.452 10.580 1.00 3.62 H new ATOM 0 HE1 TYR B 208 -0.378 -1.717 7.976 1.00 3.76 H new ATOM 0 HE2 TYR B 208 3.405 -2.186 9.880 1.00 3.66 H new ATOM 0 HH TYR B 208 1.104 -0.062 8.189 1.00 4.04 H new HETATM 2301 N SEP B 209 -1.535 -3.884 12.112 1.00 2.36 N HETATM 2302 CA SEP B 209 -2.631 -2.931 12.099 1.00 2.38 C HETATM 2303 CB SEP B 209 -3.350 -2.934 13.445 1.00 2.36 C HETATM 2304 OG SEP B 209 -4.740 -2.650 13.293 1.00 3.00 O HETATM 2305 C SEP B 209 -2.071 -1.551 11.789 1.00 2.34 C HETATM 2306 O SEP B 209 -0.961 -1.246 12.203 1.00 2.07 O HETATM 2307 P SEP B 209 -5.377 -1.343 13.973 1.00 3.45 P HETATM 2308 O1P SEP B 209 -4.597 -0.205 13.482 1.00 3.38 O HETATM 2309 O2P SEP B 209 -5.334 -1.300 15.448 1.00 3.75 O HETATM 2310 O3P SEP B 209 -6.802 -1.075 13.650 1.00 4.19 O HETATM 0 HB3 SEP B 209 -3.226 -3.905 13.923 1.00 2.36 H new HETATM 0 HB2 SEP B 209 -2.896 -2.194 14.104 1.00 2.36 H new HETATM 0 HA SEP B 209 -3.356 -3.208 11.334 1.00 2.38 H new ATOM 2315 N PRO B 210 -2.814 -0.714 11.040 1.00 2.97 N ATOM 2316 CA PRO B 210 -2.372 0.643 10.660 1.00 3.35 C ATOM 2317 C PRO B 210 -1.873 1.495 11.829 1.00 3.29 C ATOM 2318 O PRO B 210 -0.966 2.312 11.661 1.00 3.60 O ATOM 2319 CB PRO B 210 -3.630 1.267 10.057 1.00 4.20 C ATOM 2320 CG PRO B 210 -4.398 0.110 9.526 1.00 4.35 C ATOM 2321 CD PRO B 210 -4.142 -1.027 10.476 1.00 3.65 C ATOM 0 HA PRO B 210 -1.516 0.593 9.987 1.00 3.35 H new ATOM 0 HB2 PRO B 210 -4.202 1.813 10.807 1.00 4.20 H new ATOM 0 HB3 PRO B 210 -3.382 1.976 9.267 1.00 4.20 H new ATOM 0 HG2 PRO B 210 -5.462 0.340 9.470 1.00 4.35 H new ATOM 0 HG3 PRO B 210 -4.074 -0.144 8.517 1.00 4.35 H new ATOM 0 HD2 PRO B 210 -4.905 -1.081 11.252 1.00 3.65 H new ATOM 0 HD3 PRO B 210 -4.143 -1.988 9.961 1.00 3.65 H new ATOM 2329 N THR B 211 -2.458 1.310 13.004 1.00 3.21 N ATOM 2330 CA THR B 211 -2.053 2.076 14.176 1.00 3.59 C ATOM 2331 C THR B 211 -0.746 1.541 14.770 1.00 3.26 C ATOM 2332 O THR B 211 -0.092 2.216 15.564 1.00 3.82 O ATOM 2333 CB THR B 211 -3.152 2.070 15.258 1.00 4.11 C ATOM 2334 OG1 THR B 211 -4.450 2.059 14.643 1.00 4.33 O ATOM 2335 CG2 THR B 211 -3.035 3.292 16.157 1.00 4.95 C ATOM 0 H THR B 211 -3.210 0.641 13.172 1.00 3.21 H new ATOM 0 HA THR B 211 -1.893 3.101 13.843 1.00 3.59 H new ATOM 0 HB THR B 211 -3.024 1.172 15.863 1.00 4.11 H new ATOM 0 HG1 THR B 211 -4.728 1.133 14.481 1.00 4.33 H new ATOM 0 HG21 THR B 211 -3.821 3.265 16.912 1.00 4.95 H new ATOM 0 HG22 THR B 211 -2.061 3.291 16.647 1.00 4.95 H new ATOM 0 HG23 THR B 211 -3.139 4.196 15.557 1.00 4.95 H new ATOM 2343 N SER B 212 -0.358 0.336 14.366 1.00 2.62 N ATOM 2344 CA SER B 212 0.868 -0.283 14.856 1.00 2.67 C ATOM 2345 C SER B 212 1.713 -0.776 13.680 1.00 2.47 C ATOM 2346 O SER B 212 1.705 -1.965 13.343 1.00 2.28 O ATOM 2347 CB SER B 212 0.534 -1.441 15.803 1.00 2.77 C ATOM 2348 OG SER B 212 -0.343 -1.014 16.838 1.00 3.16 O ATOM 0 H SER B 212 -0.877 -0.233 13.698 1.00 2.62 H new ATOM 0 HA SER B 212 1.443 0.459 15.409 1.00 2.67 H new ATOM 0 HB2 SER B 212 0.072 -2.253 15.242 1.00 2.77 H new ATOM 0 HB3 SER B 212 1.452 -1.836 16.239 1.00 2.77 H new ATOM 0 HG SER B 212 -0.544 -1.769 17.429 1.00 3.16 H new ATOM 2354 N PRO B 213 2.425 0.148 13.022 1.00 2.92 N ATOM 2355 CA PRO B 213 3.264 -0.158 11.871 1.00 3.21 C ATOM 2356 C PRO B 213 4.678 -0.605 12.246 1.00 3.71 C ATOM 2357 O PRO B 213 5.272 -1.440 11.566 1.00 4.03 O ATOM 2358 CB PRO B 213 3.314 1.174 11.102 1.00 3.80 C ATOM 2359 CG PRO B 213 2.594 2.180 11.950 1.00 4.01 C ATOM 2360 CD PRO B 213 2.449 1.576 13.318 1.00 3.53 C ATOM 0 HA PRO B 213 2.858 -0.993 11.300 1.00 3.21 H new ATOM 0 HB2 PRO B 213 4.345 1.482 10.925 1.00 3.80 H new ATOM 0 HB3 PRO B 213 2.838 1.077 10.126 1.00 3.80 H new ATOM 0 HG2 PRO B 213 3.153 3.115 11.998 1.00 4.01 H new ATOM 0 HG3 PRO B 213 1.617 2.414 11.526 1.00 4.01 H new ATOM 0 HD2 PRO B 213 3.280 1.843 13.971 1.00 3.53 H new ATOM 0 HD3 PRO B 213 1.536 1.905 13.814 1.00 3.53 H new ATOM 2368 N SER B 214 5.225 -0.047 13.315 1.00 4.09 N ATOM 2369 CA SER B 214 6.572 -0.395 13.742 1.00 4.82 C ATOM 2370 C SER B 214 6.557 -0.912 15.172 1.00 5.05 C ATOM 2371 O SER B 214 6.613 -2.143 15.358 1.00 5.14 O ATOM 2372 CB SER B 214 7.492 0.823 13.629 1.00 5.57 C ATOM 2373 OG SER B 214 7.261 1.520 12.413 1.00 5.55 O ATOM 2374 OXT SER B 214 6.484 -0.083 16.100 1.00 5.39 O ATOM 0 H SER B 214 4.759 0.646 13.901 1.00 4.09 H new ATOM 0 HA SER B 214 6.951 -1.183 13.092 1.00 4.82 H new ATOM 0 HB2 SER B 214 7.323 1.491 14.474 1.00 5.57 H new ATOM 0 HB3 SER B 214 8.533 0.504 13.678 1.00 5.57 H new ATOM 0 HG SER B 214 7.212 0.879 11.673 1.00 5.55 H new TER 2380 SER B 214