USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl 176:sc= -0.088 (180deg=-0.0944) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= 0 X(o=1.8,f=1.6) USER MOD Set 2.2: A 61 THR OG1 : rot -122:sc= 1.02 USER MOD Set 2.3: A 64 HIS : no HE2:sc= 0.483 K(o=1.8,f=-4.6!) USER MOD Set 2.4: A 104 TYR OH : rot -153:sc= 0.292 USER MOD Set 3.1: A 77 SER OG : rot -34:sc= 2.14 USER MOD Set 3.2: A 79 SER OG : rot 94:sc= 1.04 USER MOD Single : A 23 MET CE :methyl -123:sc= 0 (180deg=-0.0272) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.769 K(o=-0.77,f=-6.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 77:sc= 1.28 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0285 K(o=-0.028,f=-0.94) USER MOD Single : A 69 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 71 MET CE :methyl -126:sc= -0.342 (180deg=-0.767) USER MOD Single : A 75 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : A 85 THR OG1 : rot -140:sc= 0 USER MOD Single : A 89 SER OG : rot -150:sc= 0.274 USER MOD Single : A 93 GLN : amide:sc= 1.07 K(o=1.1,f=-2.1!) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 98 SER OG : rot 72:sc= 1.22 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 112 THR OG1 : rot 60:sc= 1.03 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 119 SER OG : rot -134:sc= 0.123 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 33:sc= 0.72 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -3.035 15.253 -9.147 1.00 0.00 N ATOM 2 CA MET A 23 -4.260 16.051 -8.969 1.00 0.00 C ATOM 3 C MET A 23 -4.266 16.624 -7.551 1.00 0.00 C ATOM 4 O MET A 23 -3.264 17.236 -7.175 1.00 0.00 O ATOM 5 CB MET A 23 -5.528 15.266 -9.337 1.00 0.00 C ATOM 6 CG MET A 23 -5.480 14.705 -10.759 1.00 0.00 C ATOM 7 SD MET A 23 -7.018 13.906 -11.272 1.00 0.00 S ATOM 8 CE MET A 23 -6.878 12.363 -10.336 1.00 0.00 C ATOM 0 HA MET A 23 -4.263 16.887 -9.668 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.661 14.446 -8.631 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.396 15.917 -9.236 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.251 15.514 -11.453 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.665 13.985 -10.830 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.929 11.516 -11.021 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.926 12.344 -9.806 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.695 12.298 -9.617 1.00 0.00 H new ATOM 20 N LYS A 24 -5.330 16.453 -6.740 1.00 0.00 N ATOM 21 CA LYS A 24 -5.506 17.197 -5.480 1.00 0.00 C ATOM 22 C LYS A 24 -4.479 16.907 -4.394 1.00 0.00 C ATOM 23 O LYS A 24 -4.510 17.507 -3.319 1.00 0.00 O ATOM 24 CB LYS A 24 -6.938 17.046 -4.915 1.00 0.00 C ATOM 25 CG LYS A 24 -7.193 15.863 -3.946 1.00 0.00 C ATOM 26 CD LYS A 24 -7.308 14.473 -4.581 1.00 0.00 C ATOM 27 CE LYS A 24 -8.709 14.367 -5.198 1.00 0.00 C ATOM 28 NZ LYS A 24 -9.143 12.989 -5.489 1.00 0.00 N ATOM 0 H LYS A 24 -6.086 15.799 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.334 18.233 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.197 17.970 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.625 16.949 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.384 15.839 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.112 16.064 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.541 14.334 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.158 13.695 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.428 14.826 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.730 14.945 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.097 13.006 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.482 12.551 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.157 12.436 -4.608 1.00 0.00 H new ATOM 42 N VAL A 25 -3.642 15.922 -4.634 1.00 0.00 N ATOM 43 CA VAL A 25 -2.665 15.414 -3.698 1.00 0.00 C ATOM 44 C VAL A 25 -1.420 16.317 -3.741 1.00 0.00 C ATOM 45 O VAL A 25 -1.127 16.884 -4.801 1.00 0.00 O ATOM 46 CB VAL A 25 -2.385 13.939 -4.042 1.00 0.00 C ATOM 47 CG1 VAL A 25 -3.674 13.098 -4.039 1.00 0.00 C ATOM 48 CG2 VAL A 25 -1.659 13.753 -5.383 1.00 0.00 C ATOM 0 H VAL A 25 -3.624 15.431 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.025 15.436 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.720 13.586 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.434 12.064 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.132 13.138 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.370 13.496 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.493 12.691 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.268 14.167 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.700 14.270 -5.352 1.00 0.00 H new ATOM 58 N PRO A 26 -0.681 16.484 -2.634 1.00 0.00 N ATOM 59 CA PRO A 26 0.629 17.129 -2.662 1.00 0.00 C ATOM 60 C PRO A 26 1.641 16.233 -3.411 1.00 0.00 C ATOM 61 O PRO A 26 1.367 15.049 -3.608 1.00 0.00 O ATOM 62 CB PRO A 26 0.990 17.359 -1.189 1.00 0.00 C ATOM 63 CG PRO A 26 0.203 16.291 -0.435 1.00 0.00 C ATOM 64 CD PRO A 26 -1.044 16.086 -1.286 1.00 0.00 C ATOM 0 HA PRO A 26 0.636 18.077 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.062 17.255 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.712 18.361 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.775 15.369 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.051 16.619 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.367 15.045 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.874 16.686 -0.913 1.00 0.00 H new ATOM 72 N PRO A 27 2.807 16.745 -3.831 1.00 0.00 N ATOM 73 CA PRO A 27 3.798 16.003 -4.611 1.00 0.00 C ATOM 74 C PRO A 27 4.579 15.000 -3.745 1.00 0.00 C ATOM 75 O PRO A 27 5.695 15.281 -3.305 1.00 0.00 O ATOM 76 CB PRO A 27 4.697 17.084 -5.228 1.00 0.00 C ATOM 77 CG PRO A 27 4.660 18.184 -4.167 1.00 0.00 C ATOM 78 CD PRO A 27 3.212 18.132 -3.696 1.00 0.00 C ATOM 0 HA PRO A 27 3.337 15.383 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.710 16.720 -5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.315 17.432 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.359 17.989 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.918 19.158 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.124 18.467 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.580 18.785 -4.298 1.00 0.00 H new ATOM 86 N HIS A 28 4.024 13.807 -3.521 1.00 0.00 N ATOM 87 CA HIS A 28 4.634 12.763 -2.689 1.00 0.00 C ATOM 88 C HIS A 28 4.749 11.413 -3.401 1.00 0.00 C ATOM 89 O HIS A 28 5.035 10.406 -2.757 1.00 0.00 O ATOM 90 CB HIS A 28 3.910 12.678 -1.343 1.00 0.00 C ATOM 91 CG HIS A 28 2.465 12.260 -1.430 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.398 13.089 -1.674 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.967 11.007 -1.213 1.00 0.00 C ATOM 94 CE1 HIS A 28 0.280 12.364 -1.564 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.575 11.093 -1.279 1.00 0.00 N ATOM 0 H HIS A 28 3.125 13.533 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 28 5.667 13.050 -2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.441 11.972 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.964 13.651 -0.855 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.449 14.082 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.544 10.114 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.720 12.751 -1.688 1.00 0.00 H new ATOM 103 N SER A 29 4.588 11.396 -4.725 1.00 0.00 N ATOM 104 CA SER A 29 4.865 10.243 -5.574 1.00 0.00 C ATOM 105 C SER A 29 3.926 9.077 -5.257 1.00 0.00 C ATOM 106 O SER A 29 4.351 8.000 -4.850 1.00 0.00 O ATOM 107 CB SER A 29 6.357 9.888 -5.530 1.00 0.00 C ATOM 108 OG SER A 29 7.116 11.049 -5.810 1.00 0.00 O ATOM 0 H SER A 29 4.253 12.206 -5.247 1.00 0.00 H new ATOM 0 HA SER A 29 4.651 10.500 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.621 9.493 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.580 9.108 -6.258 1.00 0.00 H new ATOM 0 HG SER A 29 8.071 10.830 -5.782 1.00 0.00 H new ATOM 114 N ILE A 30 2.642 9.293 -5.541 1.00 0.00 N ATOM 115 CA ILE A 30 1.584 8.286 -5.527 1.00 0.00 C ATOM 116 C ILE A 30 2.075 7.044 -6.252 1.00 0.00 C ATOM 117 O ILE A 30 1.950 5.939 -5.756 1.00 0.00 O ATOM 118 CB ILE A 30 0.345 8.875 -6.263 1.00 0.00 C ATOM 119 CG1 ILE A 30 -0.204 10.165 -5.626 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.801 7.870 -6.488 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.740 9.956 -4.213 1.00 0.00 C ATOM 0 H ILE A 30 2.296 10.217 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 30 1.316 8.019 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 30 0.748 9.130 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.587 10.915 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.001 10.563 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.622 8.365 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.441 7.036 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.152 7.497 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.112 10.903 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.552 9.229 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.060 9.587 -3.571 1.00 0.00 H new ATOM 133 N GLU A 31 2.530 7.190 -7.485 1.00 0.00 N ATOM 134 CA GLU A 31 2.907 6.046 -8.293 1.00 0.00 C ATOM 135 C GLU A 31 4.137 5.295 -7.776 1.00 0.00 C ATOM 136 O GLU A 31 4.223 4.079 -7.928 1.00 0.00 O ATOM 137 CB GLU A 31 2.936 6.501 -9.737 1.00 0.00 C ATOM 138 CG GLU A 31 1.462 6.615 -10.175 1.00 0.00 C ATOM 139 CD GLU A 31 1.338 7.219 -11.575 1.00 0.00 C ATOM 140 OE1 GLU A 31 1.597 8.435 -11.714 1.00 0.00 O ATOM 141 OE2 GLU A 31 0.973 6.505 -12.540 1.00 0.00 O ATOM 0 H GLU A 31 2.647 8.092 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 31 2.162 5.254 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.447 7.459 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.474 5.787 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.000 5.628 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.916 7.232 -9.462 1.00 0.00 H new ATOM 148 N ALA A 32 5.059 5.986 -7.108 1.00 0.00 N ATOM 149 CA ALA A 32 6.154 5.358 -6.368 1.00 0.00 C ATOM 150 C ALA A 32 5.578 4.518 -5.229 1.00 0.00 C ATOM 151 O ALA A 32 5.914 3.345 -5.095 1.00 0.00 O ATOM 152 CB ALA A 32 7.132 6.403 -5.818 1.00 0.00 C ATOM 0 H ALA A 32 5.068 7.005 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 32 6.711 4.717 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.932 5.901 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.557 6.974 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.603 7.077 -5.145 1.00 0.00 H new ATOM 158 N GLU A 33 4.674 5.100 -4.441 1.00 0.00 N ATOM 159 CA GLU A 33 3.931 4.408 -3.396 1.00 0.00 C ATOM 160 C GLU A 33 3.208 3.182 -3.974 1.00 0.00 C ATOM 161 O GLU A 33 3.267 2.098 -3.387 1.00 0.00 O ATOM 162 CB GLU A 33 2.952 5.395 -2.739 1.00 0.00 C ATOM 163 CG GLU A 33 3.615 6.406 -1.800 1.00 0.00 C ATOM 164 CD GLU A 33 2.604 7.352 -1.151 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.452 7.443 -1.641 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.981 7.996 -0.142 1.00 0.00 O ATOM 0 H GLU A 33 4.435 6.089 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 33 4.617 4.042 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.421 5.937 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.206 4.831 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.159 5.871 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.347 6.989 -2.358 1.00 0.00 H new ATOM 173 N GLN A 34 2.576 3.312 -5.146 1.00 0.00 N ATOM 174 CA GLN A 34 1.913 2.201 -5.815 1.00 0.00 C ATOM 175 C GLN A 34 2.923 1.147 -6.277 1.00 0.00 C ATOM 176 O GLN A 34 2.620 -0.039 -6.223 1.00 0.00 O ATOM 177 CB GLN A 34 1.031 2.651 -6.995 1.00 0.00 C ATOM 178 CG GLN A 34 -0.184 3.444 -6.499 1.00 0.00 C ATOM 179 CD GLN A 34 -1.235 3.774 -7.555 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.931 4.187 -8.675 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.504 3.628 -7.214 1.00 0.00 N ATOM 0 H GLN A 34 2.513 4.195 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 34 1.252 1.754 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.617 3.265 -7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.696 1.779 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.663 2.877 -5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.169 4.377 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.746 3.285 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.241 3.858 -7.881 1.00 0.00 H new ATOM 190 N SER A 35 4.129 1.543 -6.684 1.00 0.00 N ATOM 191 CA SER A 35 5.178 0.613 -7.083 1.00 0.00 C ATOM 192 C SER A 35 5.644 -0.231 -5.891 1.00 0.00 C ATOM 193 O SER A 35 6.013 -1.394 -6.067 1.00 0.00 O ATOM 194 CB SER A 35 6.354 1.384 -7.689 1.00 0.00 C ATOM 195 OG SER A 35 5.934 2.216 -8.760 1.00 0.00 O ATOM 0 H SER A 35 4.404 2.523 -6.745 1.00 0.00 H new ATOM 0 HA SER A 35 4.774 -0.065 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.827 1.992 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.106 0.681 -8.047 1.00 0.00 H new ATOM 0 HG SER A 35 5.492 3.013 -8.401 1.00 0.00 H new ATOM 201 N VAL A 36 5.616 0.326 -4.677 1.00 0.00 N ATOM 202 CA VAL A 36 5.910 -0.410 -3.455 1.00 0.00 C ATOM 203 C VAL A 36 4.768 -1.365 -3.148 1.00 0.00 C ATOM 204 O VAL A 36 4.971 -2.573 -3.046 1.00 0.00 O ATOM 205 CB VAL A 36 6.192 0.564 -2.287 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.462 -0.169 -0.968 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.407 1.450 -2.573 1.00 0.00 C ATOM 0 H VAL A 36 5.387 1.307 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 36 6.813 -1.004 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 36 5.291 1.170 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.654 0.559 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.593 -0.771 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.331 -0.817 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.574 2.121 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.287 0.824 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.226 2.037 -3.474 1.00 0.00 H new ATOM 217 N LEU A 37 3.566 -0.830 -2.970 1.00 0.00 N ATOM 218 CA LEU A 37 2.438 -1.602 -2.476 1.00 0.00 C ATOM 219 C LEU A 37 1.975 -2.642 -3.490 1.00 0.00 C ATOM 220 O LEU A 37 1.504 -3.712 -3.114 1.00 0.00 O ATOM 221 CB LEU A 37 1.322 -0.631 -2.115 1.00 0.00 C ATOM 222 CG LEU A 37 1.656 0.241 -0.891 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.469 1.147 -0.603 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.993 -0.552 0.377 1.00 0.00 C ATOM 0 H LEU A 37 3.349 0.148 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 37 2.738 -2.163 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.119 0.014 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.409 -1.193 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 37 2.554 0.804 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.690 1.772 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.277 1.781 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.411 0.539 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.215 0.139 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.143 -1.175 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.861 -1.184 0.191 1.00 0.00 H new ATOM 236 N GLY A 38 2.119 -2.341 -4.772 1.00 0.00 N ATOM 237 CA GLY A 38 1.953 -3.293 -5.850 1.00 0.00 C ATOM 238 C GLY A 38 3.061 -4.342 -5.779 1.00 0.00 C ATOM 239 O GLY A 38 2.762 -5.536 -5.832 1.00 0.00 O ATOM 0 H GLY A 38 2.360 -1.404 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.977 -3.774 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.985 -2.779 -6.811 1.00 0.00 H new ATOM 243 N GLY A 39 4.319 -3.918 -5.570 1.00 0.00 N ATOM 244 CA GLY A 39 5.467 -4.800 -5.407 1.00 0.00 C ATOM 245 C GLY A 39 5.191 -5.915 -4.406 1.00 0.00 C ATOM 246 O GLY A 39 5.430 -7.078 -4.715 1.00 0.00 O ATOM 0 H GLY A 39 4.562 -2.929 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.730 -5.235 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.327 -4.219 -5.074 1.00 0.00 H new ATOM 250 N LEU A 40 4.634 -5.570 -3.245 1.00 0.00 N ATOM 251 CA LEU A 40 4.292 -6.508 -2.177 1.00 0.00 C ATOM 252 C LEU A 40 3.362 -7.632 -2.643 1.00 0.00 C ATOM 253 O LEU A 40 3.523 -8.772 -2.212 1.00 0.00 O ATOM 254 CB LEU A 40 3.600 -5.745 -1.038 1.00 0.00 C ATOM 255 CG LEU A 40 4.507 -4.812 -0.223 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.660 -4.022 0.775 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.574 -5.596 0.539 1.00 0.00 C ATOM 0 H LEU A 40 4.402 -4.604 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 40 5.224 -6.966 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.787 -5.155 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.149 -6.469 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 40 5.006 -4.136 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.303 -3.359 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.920 -3.430 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.151 -4.713 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.198 -4.905 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.093 -6.294 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.193 -6.149 -0.167 1.00 0.00 H new ATOM 269 N MET A 41 2.377 -7.326 -3.492 1.00 0.00 N ATOM 270 CA MET A 41 1.408 -8.320 -3.956 1.00 0.00 C ATOM 271 C MET A 41 2.058 -9.314 -4.922 1.00 0.00 C ATOM 272 O MET A 41 1.569 -10.439 -5.064 1.00 0.00 O ATOM 273 CB MET A 41 0.178 -7.651 -4.594 1.00 0.00 C ATOM 274 CG MET A 41 -0.529 -6.746 -3.578 1.00 0.00 C ATOM 275 SD MET A 41 -2.197 -6.163 -3.992 1.00 0.00 S ATOM 276 CE MET A 41 -1.895 -5.267 -5.534 1.00 0.00 C ATOM 0 H MET A 41 2.230 -6.391 -3.873 1.00 0.00 H new ATOM 0 HA MET A 41 1.064 -8.876 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.484 -7.065 -5.461 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.513 -8.414 -4.953 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.586 -7.284 -2.632 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.101 -5.872 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.843 -4.915 -5.942 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.245 -4.414 -5.338 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.416 -5.931 -6.253 1.00 0.00 H new ATOM 286 N LEU A 42 3.130 -8.911 -5.612 1.00 0.00 N ATOM 287 CA LEU A 42 3.889 -9.767 -6.519 1.00 0.00 C ATOM 288 C LEU A 42 5.007 -10.513 -5.797 1.00 0.00 C ATOM 289 O LEU A 42 5.320 -11.645 -6.160 1.00 0.00 O ATOM 290 CB LEU A 42 4.481 -8.943 -7.665 1.00 0.00 C ATOM 291 CG LEU A 42 3.479 -8.764 -8.820 1.00 0.00 C ATOM 292 CD1 LEU A 42 2.379 -7.737 -8.529 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.271 -8.350 -10.052 1.00 0.00 C ATOM 0 H LEU A 42 3.498 -7.962 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 42 3.194 -10.504 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.782 -7.965 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.381 -9.433 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 42 2.959 -9.710 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.712 -7.665 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.811 -8.051 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.831 -6.764 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.591 -8.214 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.792 -7.414 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.998 -9.125 -10.295 1.00 0.00 H new ATOM 305 N ASP A 43 5.609 -9.902 -4.782 1.00 0.00 N ATOM 306 CA ASP A 43 6.834 -10.356 -4.129 1.00 0.00 C ATOM 307 C ASP A 43 6.705 -10.175 -2.624 1.00 0.00 C ATOM 308 O ASP A 43 7.065 -9.153 -2.039 1.00 0.00 O ATOM 309 CB ASP A 43 8.029 -9.617 -4.735 1.00 0.00 C ATOM 310 CG ASP A 43 9.385 -10.118 -4.243 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.447 -11.189 -3.594 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.399 -9.456 -4.571 1.00 0.00 O ATOM 0 H ASP A 43 5.243 -9.042 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 43 7.000 -11.420 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.990 -9.713 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.941 -8.555 -4.505 1.00 0.00 H new ATOM 317 N ASN A 44 6.129 -11.204 -2.009 1.00 0.00 N ATOM 318 CA ASN A 44 5.713 -11.249 -0.611 1.00 0.00 C ATOM 319 C ASN A 44 6.885 -11.029 0.339 1.00 0.00 C ATOM 320 O ASN A 44 6.702 -10.475 1.422 1.00 0.00 O ATOM 321 CB ASN A 44 5.131 -12.621 -0.254 1.00 0.00 C ATOM 322 CG ASN A 44 3.819 -12.964 -0.939 1.00 0.00 C ATOM 323 OD1 ASN A 44 3.737 -13.009 -2.170 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.790 -13.303 -0.183 1.00 0.00 N ATOM 0 H ASN A 44 5.929 -12.076 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 44 4.972 -10.457 -0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.865 -13.386 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.982 -12.665 0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.917 -13.606 -0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.868 -13.262 0.833 1.00 0.00 H new ATOM 331 N GLU A 45 8.076 -11.501 -0.027 1.00 0.00 N ATOM 332 CA GLU A 45 9.303 -11.362 0.762 1.00 0.00 C ATOM 333 C GLU A 45 9.725 -9.909 0.902 1.00 0.00 C ATOM 334 O GLU A 45 10.470 -9.565 1.821 1.00 0.00 O ATOM 335 CB GLU A 45 10.420 -12.177 0.090 1.00 0.00 C ATOM 336 CG GLU A 45 10.315 -13.670 0.424 1.00 0.00 C ATOM 337 CD GLU A 45 11.079 -14.002 1.705 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.806 -13.388 2.758 1.00 0.00 O ATOM 339 OE2 GLU A 45 11.985 -14.864 1.651 1.00 0.00 O ATOM 0 H GLU A 45 8.220 -12.004 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 45 9.113 -11.739 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.369 -12.042 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.390 -11.800 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.267 -13.947 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.711 -14.260 -0.403 1.00 0.00 H new ATOM 346 N ARG A 46 9.203 -9.016 0.061 1.00 0.00 N ATOM 347 CA ARG A 46 9.431 -7.604 0.252 1.00 0.00 C ATOM 348 C ARG A 46 8.620 -7.050 1.407 1.00 0.00 C ATOM 349 O ARG A 46 8.845 -5.889 1.721 1.00 0.00 O ATOM 350 CB ARG A 46 9.145 -6.835 -1.033 1.00 0.00 C ATOM 351 CG ARG A 46 9.939 -7.380 -2.218 1.00 0.00 C ATOM 352 CD ARG A 46 11.445 -7.165 -2.046 1.00 0.00 C ATOM 353 NE ARG A 46 12.156 -7.525 -3.276 1.00 0.00 N ATOM 354 CZ ARG A 46 13.321 -7.001 -3.675 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.972 -6.118 -2.921 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.833 -7.352 -4.845 1.00 0.00 N ATOM 0 H ARG A 46 8.627 -9.252 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 46 10.483 -7.474 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.079 -6.887 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.389 -5.783 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.735 -8.445 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.605 -6.892 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.644 -6.123 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.813 -7.768 -1.216 1.00 0.00 H new ATOM 0 HE ARG A 46 11.729 -8.231 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.584 -5.830 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.859 -5.729 -3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.340 -8.019 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.721 -6.955 -5.153 1.00 0.00 H new ATOM 370 N TRP A 47 7.734 -7.813 2.060 1.00 0.00 N ATOM 371 CA TRP A 47 7.047 -7.337 3.252 1.00 0.00 C ATOM 372 C TRP A 47 8.056 -6.773 4.234 1.00 0.00 C ATOM 373 O TRP A 47 7.951 -5.609 4.606 1.00 0.00 O ATOM 374 CB TRP A 47 6.203 -8.427 3.921 1.00 0.00 C ATOM 375 CG TRP A 47 5.535 -7.899 5.149 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.025 -7.998 6.407 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.427 -6.957 5.225 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.300 -7.179 7.250 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.305 -6.506 6.571 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.578 -6.368 4.265 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.375 -5.526 6.944 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.640 -5.388 4.627 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.536 -4.971 5.964 1.00 0.00 C ATOM 0 H TRP A 47 7.481 -8.760 1.778 1.00 0.00 H new ATOM 0 HA TRP A 47 6.357 -6.553 2.940 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.452 -8.793 3.221 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.836 -9.275 4.182 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.855 -8.621 6.705 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.478 -7.083 8.250 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.651 -6.676 3.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.304 -5.202 7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.997 -4.954 3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.809 -4.221 6.239 1.00 0.00 H new ATOM 394 N ASP A 48 9.049 -7.570 4.617 1.00 0.00 N ATOM 395 CA ASP A 48 10.043 -7.127 5.595 1.00 0.00 C ATOM 396 C ASP A 48 10.906 -5.987 5.076 1.00 0.00 C ATOM 397 O ASP A 48 11.399 -5.183 5.862 1.00 0.00 O ATOM 398 CB ASP A 48 10.981 -8.279 5.937 1.00 0.00 C ATOM 399 CG ASP A 48 10.409 -9.227 6.988 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.173 -8.822 8.150 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.170 -10.402 6.624 1.00 0.00 O ATOM 0 H ASP A 48 9.188 -8.519 4.270 1.00 0.00 H new ATOM 0 HA ASP A 48 9.485 -6.784 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.201 -8.842 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.927 -7.874 6.298 1.00 0.00 H new ATOM 406 N ASP A 49 11.107 -5.956 3.768 1.00 0.00 N ATOM 407 CA ASP A 49 12.053 -5.107 3.040 1.00 0.00 C ATOM 408 C ASP A 49 11.506 -3.696 2.885 1.00 0.00 C ATOM 409 O ASP A 49 12.211 -2.693 2.975 1.00 0.00 O ATOM 410 CB ASP A 49 12.315 -5.746 1.662 1.00 0.00 C ATOM 411 CG ASP A 49 13.724 -5.551 1.112 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.687 -5.351 1.889 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.904 -5.735 -0.114 1.00 0.00 O ATOM 0 H ASP A 49 10.581 -6.562 3.139 1.00 0.00 H new ATOM 0 HA ASP A 49 12.987 -5.033 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.114 -6.815 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.603 -5.334 0.947 1.00 0.00 H new ATOM 418 N VAL A 50 10.197 -3.631 2.700 1.00 0.00 N ATOM 419 CA VAL A 50 9.385 -2.445 2.743 1.00 0.00 C ATOM 420 C VAL A 50 9.204 -2.068 4.212 1.00 0.00 C ATOM 421 O VAL A 50 9.475 -0.926 4.564 1.00 0.00 O ATOM 422 CB VAL A 50 8.081 -2.789 2.011 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.011 -1.703 2.180 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.358 -2.947 0.502 1.00 0.00 C ATOM 0 H VAL A 50 9.646 -4.466 2.503 1.00 0.00 H new ATOM 0 HA VAL A 50 9.822 -1.576 2.250 1.00 0.00 H new ATOM 0 HB VAL A 50 7.710 -3.716 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.108 -1.995 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.780 -1.581 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.383 -0.760 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.430 -3.191 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.759 -2.014 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.081 -3.748 0.347 1.00 0.00 H new ATOM 434 N ALA A 51 8.809 -2.993 5.093 1.00 0.00 N ATOM 435 CA ALA A 51 8.588 -2.705 6.508 1.00 0.00 C ATOM 436 C ALA A 51 9.871 -2.309 7.253 1.00 0.00 C ATOM 437 O ALA A 51 9.781 -1.823 8.380 1.00 0.00 O ATOM 438 CB ALA A 51 7.918 -3.900 7.199 1.00 0.00 C ATOM 0 H ALA A 51 8.634 -3.966 4.840 1.00 0.00 H new ATOM 0 HA ALA A 51 7.926 -1.840 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.760 -3.669 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.958 -4.103 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.559 -4.777 7.112 1.00 0.00 H new ATOM 444 N GLU A 52 11.065 -2.478 6.676 1.00 0.00 N ATOM 445 CA GLU A 52 12.314 -1.947 7.202 1.00 0.00 C ATOM 446 C GLU A 52 12.674 -0.573 6.623 1.00 0.00 C ATOM 447 O GLU A 52 13.639 0.052 7.078 1.00 0.00 O ATOM 448 CB GLU A 52 13.493 -2.923 7.113 1.00 0.00 C ATOM 449 CG GLU A 52 13.959 -3.123 5.680 1.00 0.00 C ATOM 450 CD GLU A 52 15.182 -4.026 5.581 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.077 -5.255 5.797 1.00 0.00 O ATOM 452 OE2 GLU A 52 16.278 -3.504 5.269 1.00 0.00 O ATOM 0 H GLU A 52 11.186 -3.002 5.809 1.00 0.00 H new ATOM 0 HA GLU A 52 12.120 -1.806 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.321 -2.547 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.201 -3.884 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.146 -3.553 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.191 -2.154 5.239 1.00 0.00 H new ATOM 459 N ARG A 53 11.947 -0.102 5.611 1.00 0.00 N ATOM 460 CA ARG A 53 12.137 1.200 4.982 1.00 0.00 C ATOM 461 C ARG A 53 11.019 2.157 5.380 1.00 0.00 C ATOM 462 O ARG A 53 11.307 3.341 5.532 1.00 0.00 O ATOM 463 CB ARG A 53 12.227 1.037 3.448 1.00 0.00 C ATOM 464 CG ARG A 53 13.539 0.383 2.970 1.00 0.00 C ATOM 465 CD ARG A 53 14.705 1.384 3.034 1.00 0.00 C ATOM 466 NE ARG A 53 16.041 0.758 3.006 1.00 0.00 N ATOM 467 CZ ARG A 53 16.649 0.171 4.046 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.968 -0.116 5.147 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.948 -0.098 4.019 1.00 0.00 N ATOM 0 H ARG A 53 11.184 -0.636 5.194 1.00 0.00 H new ATOM 0 HA ARG A 53 13.075 1.631 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.385 0.435 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.129 2.017 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.765 -0.485 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.419 0.022 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.622 2.075 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.612 1.975 3.945 1.00 0.00 H new ATOM 0 HE ARG A 53 16.545 0.773 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.975 0.110 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.437 -0.563 5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.502 0.143 3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.393 -0.545 4.820 1.00 0.00 H new ATOM 483 N VAL A 54 9.791 1.678 5.560 1.00 0.00 N ATOM 484 CA VAL A 54 8.606 2.495 5.777 1.00 0.00 C ATOM 485 C VAL A 54 7.658 1.814 6.771 1.00 0.00 C ATOM 486 O VAL A 54 7.887 0.665 7.155 1.00 0.00 O ATOM 487 CB VAL A 54 7.907 2.736 4.425 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.607 3.818 3.598 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.725 1.480 3.558 1.00 0.00 C ATOM 0 H VAL A 54 9.590 0.678 5.558 1.00 0.00 H new ATOM 0 HA VAL A 54 8.897 3.454 6.204 1.00 0.00 H new ATOM 0 HB VAL A 54 6.910 3.072 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.079 3.953 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.606 4.757 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.635 3.515 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.225 1.749 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.700 1.048 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.121 0.750 4.097 1.00 0.00 H new ATOM 499 N VAL A 55 6.611 2.513 7.203 1.00 0.00 N ATOM 500 CA VAL A 55 5.484 1.978 7.966 1.00 0.00 C ATOM 501 C VAL A 55 4.191 2.573 7.401 1.00 0.00 C ATOM 502 O VAL A 55 4.241 3.557 6.661 1.00 0.00 O ATOM 503 CB VAL A 55 5.639 2.278 9.474 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.778 1.465 10.096 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.862 3.768 9.765 1.00 0.00 C ATOM 0 H VAL A 55 6.520 3.513 7.023 1.00 0.00 H new ATOM 0 HA VAL A 55 5.454 0.893 7.869 1.00 0.00 H new ATOM 0 HB VAL A 55 4.694 1.983 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.857 1.702 11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.573 0.401 9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.716 1.712 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.964 3.918 10.840 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.770 4.105 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.011 4.342 9.398 1.00 0.00 H new ATOM 515 N ALA A 56 3.023 2.031 7.770 1.00 0.00 N ATOM 516 CA ALA A 56 1.743 2.479 7.222 1.00 0.00 C ATOM 517 C ALA A 56 1.560 3.988 7.358 1.00 0.00 C ATOM 518 O ALA A 56 1.152 4.635 6.399 1.00 0.00 O ATOM 519 CB ALA A 56 0.568 1.766 7.911 1.00 0.00 C ATOM 0 H ALA A 56 2.942 1.276 8.451 1.00 0.00 H new ATOM 0 HA ALA A 56 1.754 2.225 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.371 2.118 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.655 0.690 7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.586 1.984 8.979 1.00 0.00 H new ATOM 525 N ASP A 57 1.844 4.552 8.534 1.00 0.00 N ATOM 526 CA ASP A 57 1.540 5.953 8.809 1.00 0.00 C ATOM 527 C ASP A 57 2.384 6.929 7.989 1.00 0.00 C ATOM 528 O ASP A 57 2.025 8.109 7.908 1.00 0.00 O ATOM 529 CB ASP A 57 1.655 6.256 10.312 1.00 0.00 C ATOM 530 CG ASP A 57 0.280 6.251 10.964 1.00 0.00 C ATOM 531 OD1 ASP A 57 -0.598 7.033 10.527 1.00 0.00 O ATOM 532 OD2 ASP A 57 0.030 5.441 11.881 1.00 0.00 O ATOM 0 H ASP A 57 2.284 4.057 9.310 1.00 0.00 H new ATOM 0 HA ASP A 57 0.507 6.107 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.294 5.514 10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.130 7.226 10.458 1.00 0.00 H new ATOM 537 N ASP A 58 3.460 6.460 7.349 1.00 0.00 N ATOM 538 CA ASP A 58 4.330 7.269 6.508 1.00 0.00 C ATOM 539 C ASP A 58 3.582 7.748 5.271 1.00 0.00 C ATOM 540 O ASP A 58 3.796 8.887 4.838 1.00 0.00 O ATOM 541 CB ASP A 58 5.559 6.462 6.061 1.00 0.00 C ATOM 542 CG ASP A 58 6.622 6.288 7.143 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.584 6.991 8.185 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.544 5.471 6.944 1.00 0.00 O ATOM 0 H ASP A 58 3.752 5.484 7.407 1.00 0.00 H new ATOM 0 HA ASP A 58 4.654 8.127 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.231 5.477 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.010 6.956 5.200 1.00 0.00 H new ATOM 549 N PHE A 59 2.710 6.903 4.716 1.00 0.00 N ATOM 550 CA PHE A 59 1.964 7.177 3.498 1.00 0.00 C ATOM 551 C PHE A 59 0.878 8.213 3.809 1.00 0.00 C ATOM 552 O PHE A 59 0.015 7.992 4.655 1.00 0.00 O ATOM 553 CB PHE A 59 1.362 5.869 2.954 1.00 0.00 C ATOM 554 CG PHE A 59 2.355 4.851 2.406 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.216 4.142 3.268 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.390 4.576 1.025 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.117 3.196 2.751 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.257 3.591 0.514 1.00 0.00 C ATOM 559 CZ PHE A 59 4.130 2.907 1.376 1.00 0.00 C ATOM 0 H PHE A 59 2.502 5.988 5.116 1.00 0.00 H new ATOM 0 HA PHE A 59 2.621 7.583 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.791 5.396 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.656 6.120 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.183 4.327 4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.747 5.125 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.803 2.689 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.251 3.361 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.808 2.163 0.984 1.00 0.00 H new ATOM 569 N TYR A 60 0.898 9.360 3.133 1.00 0.00 N ATOM 570 CA TYR A 60 -0.154 10.377 3.225 1.00 0.00 C ATOM 571 C TYR A 60 -1.502 9.856 2.706 1.00 0.00 C ATOM 572 O TYR A 60 -2.570 10.302 3.124 1.00 0.00 O ATOM 573 CB TYR A 60 0.306 11.573 2.380 1.00 0.00 C ATOM 574 CG TYR A 60 -0.711 12.674 2.139 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.597 12.589 1.048 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.740 13.811 2.966 1.00 0.00 C ATOM 577 CE1 TYR A 60 -2.487 13.640 0.767 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.623 14.869 2.692 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.497 14.789 1.587 1.00 0.00 C ATOM 580 OH TYR A 60 -3.333 15.830 1.322 1.00 0.00 O ATOM 0 H TYR A 60 1.654 9.615 2.497 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.307 10.655 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.177 12.015 2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.636 11.197 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.593 11.709 0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.079 13.871 3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.161 13.569 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.633 15.743 3.327 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.203 16.533 1.992 1.00 0.00 H new ATOM 590 N THR A 61 -1.458 8.949 1.747 1.00 0.00 N ATOM 591 CA THR A 61 -2.524 8.428 0.914 1.00 0.00 C ATOM 592 C THR A 61 -3.419 7.467 1.698 1.00 0.00 C ATOM 593 O THR A 61 -2.989 6.362 2.030 1.00 0.00 O ATOM 594 CB THR A 61 -1.837 7.715 -0.276 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.482 7.410 0.042 1.00 0.00 O ATOM 596 CG2 THR A 61 -1.867 8.553 -1.541 1.00 0.00 C ATOM 0 H THR A 61 -0.569 8.510 1.507 1.00 0.00 H new ATOM 0 HA THR A 61 -3.176 9.229 0.564 1.00 0.00 H new ATOM 0 HB THR A 61 -2.397 6.798 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.111 7.825 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.373 8.011 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.901 8.755 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.348 9.495 -1.366 1.00 0.00 H new ATOM 604 N ARG A 62 -4.692 7.820 1.936 1.00 0.00 N ATOM 605 CA ARG A 62 -5.670 6.883 2.516 1.00 0.00 C ATOM 606 C ARG A 62 -5.630 5.492 1.874 1.00 0.00 C ATOM 607 O ARG A 62 -5.501 4.531 2.625 1.00 0.00 O ATOM 608 CB ARG A 62 -7.116 7.421 2.500 1.00 0.00 C ATOM 609 CG ARG A 62 -7.518 8.148 3.788 1.00 0.00 C ATOM 610 CD ARG A 62 -6.821 9.499 3.879 1.00 0.00 C ATOM 611 NE ARG A 62 -7.187 10.250 5.086 1.00 0.00 N ATOM 612 CZ ARG A 62 -6.993 11.562 5.242 1.00 0.00 C ATOM 613 NH1 ARG A 62 -6.352 12.262 4.315 1.00 0.00 N ATOM 614 NH2 ARG A 62 -7.468 12.159 6.324 1.00 0.00 N ATOM 0 H ARG A 62 -5.069 8.747 1.736 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.358 6.786 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.231 8.103 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.801 6.590 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.599 8.288 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.257 7.539 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.742 9.347 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.071 10.091 2.999 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.617 9.737 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.004 11.798 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.208 13.264 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.974 11.617 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.328 13.161 6.457 1.00 0.00 H new ATOM 628 N PRO A 63 -5.770 5.306 0.547 1.00 0.00 N ATOM 629 CA PRO A 63 -5.847 3.966 -0.022 1.00 0.00 C ATOM 630 C PRO A 63 -4.536 3.208 0.173 1.00 0.00 C ATOM 631 O PRO A 63 -4.564 2.007 0.408 1.00 0.00 O ATOM 632 CB PRO A 63 -6.187 4.161 -1.500 1.00 0.00 C ATOM 633 CG PRO A 63 -5.616 5.538 -1.813 1.00 0.00 C ATOM 634 CD PRO A 63 -5.836 6.301 -0.511 1.00 0.00 C ATOM 0 HA PRO A 63 -6.606 3.360 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.736 3.388 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.262 4.123 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.560 5.487 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.132 6.009 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.074 7.069 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.802 6.807 -0.512 1.00 0.00 H new ATOM 642 N HIS A 64 -3.393 3.889 0.111 1.00 0.00 N ATOM 643 CA HIS A 64 -2.101 3.256 0.300 1.00 0.00 C ATOM 644 C HIS A 64 -1.928 2.847 1.775 1.00 0.00 C ATOM 645 O HIS A 64 -1.479 1.732 2.049 1.00 0.00 O ATOM 646 CB HIS A 64 -1.016 4.202 -0.235 1.00 0.00 C ATOM 647 CG HIS A 64 -1.113 4.521 -1.727 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.354 5.441 -2.431 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.920 3.900 -2.647 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.682 5.362 -3.735 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.657 4.451 -3.904 1.00 0.00 N ATOM 0 H HIS A 64 -3.343 4.891 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.017 2.328 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.062 5.136 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.040 3.760 -0.036 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.338 6.073 -2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.636 3.119 -2.436 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.230 5.943 -4.526 1.00 0.00 H new ATOM 659 N ARG A 65 -2.380 3.673 2.732 1.00 0.00 N ATOM 660 CA ARG A 65 -2.416 3.295 4.145 1.00 0.00 C ATOM 661 C ARG A 65 -3.330 2.106 4.367 1.00 0.00 C ATOM 662 O ARG A 65 -2.920 1.184 5.065 1.00 0.00 O ATOM 663 CB ARG A 65 -2.863 4.448 5.054 1.00 0.00 C ATOM 664 CG ARG A 65 -1.790 5.533 5.177 1.00 0.00 C ATOM 665 CD ARG A 65 -1.865 6.300 6.502 1.00 0.00 C ATOM 666 NE ARG A 65 -3.051 7.168 6.554 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.263 6.856 7.014 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.463 5.731 7.690 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.265 7.689 6.772 1.00 0.00 N ATOM 0 H ARG A 65 -2.727 4.614 2.545 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.393 3.030 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.779 4.887 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.099 4.058 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.805 5.075 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.895 6.235 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.893 5.594 7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.965 6.903 6.626 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.933 8.116 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.685 5.094 7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.395 5.503 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.100 8.546 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.202 7.473 7.113 1.00 0.00 H new ATOM 683 N HIS A 66 -4.544 2.118 3.813 1.00 0.00 N ATOM 684 CA HIS A 66 -5.470 1.000 3.874 1.00 0.00 C ATOM 685 C HIS A 66 -4.799 -0.276 3.396 1.00 0.00 C ATOM 686 O HIS A 66 -4.849 -1.272 4.105 1.00 0.00 O ATOM 687 CB HIS A 66 -6.688 1.254 2.984 1.00 0.00 C ATOM 688 CG HIS A 66 -7.694 2.237 3.498 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.155 3.367 2.863 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.449 2.047 4.609 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.167 3.857 3.590 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.369 3.098 4.679 1.00 0.00 N ATOM 0 H HIS A 66 -4.911 2.921 3.302 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.783 0.894 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.335 1.602 2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.194 0.303 2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.356 1.232 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.739 4.737 3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.059 3.257 5.414 1.00 0.00 H new ATOM 700 N ILE A 67 -4.187 -0.252 2.212 1.00 0.00 N ATOM 701 CA ILE A 67 -3.514 -1.401 1.631 1.00 0.00 C ATOM 702 C ILE A 67 -2.490 -1.927 2.636 1.00 0.00 C ATOM 703 O ILE A 67 -2.622 -3.071 3.067 1.00 0.00 O ATOM 704 CB ILE A 67 -2.934 -1.014 0.254 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.076 -0.880 -0.777 1.00 0.00 C ATOM 706 CG2 ILE A 67 -1.906 -2.033 -0.257 1.00 0.00 C ATOM 707 CD1 ILE A 67 -3.676 -0.085 -2.028 1.00 0.00 C ATOM 0 H ILE A 67 -4.147 0.581 1.625 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.202 -2.224 1.436 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.421 -0.060 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.404 -1.875 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.928 -0.393 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.529 -1.714 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.078 -2.100 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.380 -3.010 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.524 -0.029 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.376 0.922 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.843 -0.583 -2.525 1.00 0.00 H new ATOM 719 N PHE A 68 -1.514 -1.114 3.057 1.00 0.00 N ATOM 720 CA PHE A 68 -0.476 -1.611 3.956 1.00 0.00 C ATOM 721 C PHE A 68 -1.053 -2.040 5.310 1.00 0.00 C ATOM 722 O PHE A 68 -0.550 -2.988 5.898 1.00 0.00 O ATOM 723 CB PHE A 68 0.647 -0.583 4.136 1.00 0.00 C ATOM 724 CG PHE A 68 1.949 -1.202 4.625 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.831 -1.806 3.708 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.279 -1.208 5.994 1.00 0.00 C ATOM 727 CE1 PHE A 68 4.044 -2.361 4.149 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.498 -1.753 6.433 1.00 0.00 C ATOM 729 CZ PHE A 68 4.392 -2.315 5.509 1.00 0.00 C ATOM 0 H PHE A 68 -1.424 -0.132 2.795 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.046 -2.497 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.825 -0.078 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.324 0.179 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.573 -1.843 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.590 -0.790 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.712 -2.825 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.747 -1.739 7.484 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.341 -2.709 5.841 1.00 0.00 H new ATOM 739 N THR A 69 -2.106 -1.389 5.808 1.00 0.00 N ATOM 740 CA THR A 69 -2.769 -1.765 7.050 1.00 0.00 C ATOM 741 C THR A 69 -3.434 -3.130 6.910 1.00 0.00 C ATOM 742 O THR A 69 -3.272 -3.987 7.777 1.00 0.00 O ATOM 743 CB THR A 69 -3.779 -0.668 7.432 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.083 0.536 7.706 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.619 -1.038 8.650 1.00 0.00 C ATOM 0 H THR A 69 -2.524 -0.578 5.352 1.00 0.00 H new ATOM 0 HA THR A 69 -2.035 -1.852 7.851 1.00 0.00 H new ATOM 0 HB THR A 69 -4.457 -0.548 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.900 1.006 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.313 -0.228 8.873 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.180 -1.949 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.965 -1.202 9.507 1.00 0.00 H new ATOM 753 N GLU A 70 -4.205 -3.354 5.851 1.00 0.00 N ATOM 754 CA GLU A 70 -4.971 -4.573 5.729 1.00 0.00 C ATOM 755 C GLU A 70 -4.041 -5.730 5.342 1.00 0.00 C ATOM 756 O GLU A 70 -4.291 -6.864 5.753 1.00 0.00 O ATOM 757 CB GLU A 70 -6.183 -4.314 4.818 1.00 0.00 C ATOM 758 CG GLU A 70 -7.445 -5.050 5.293 1.00 0.00 C ATOM 759 CD GLU A 70 -7.783 -4.756 6.765 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.846 -3.578 7.181 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.927 -5.731 7.536 1.00 0.00 O ATOM 0 H GLU A 70 -4.311 -2.705 5.071 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.405 -4.894 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.383 -3.243 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.944 -4.629 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.288 -4.760 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.306 -6.123 5.163 1.00 0.00 H new ATOM 768 N MET A 71 -2.928 -5.437 4.653 1.00 0.00 N ATOM 769 CA MET A 71 -1.826 -6.363 4.413 1.00 0.00 C ATOM 770 C MET A 71 -1.159 -6.702 5.746 1.00 0.00 C ATOM 771 O MET A 71 -0.944 -7.877 6.028 1.00 0.00 O ATOM 772 CB MET A 71 -0.754 -5.736 3.513 1.00 0.00 C ATOM 773 CG MET A 71 -1.091 -5.663 2.028 1.00 0.00 C ATOM 774 SD MET A 71 0.236 -4.826 1.126 1.00 0.00 S ATOM 775 CE MET A 71 -0.146 -5.353 -0.555 1.00 0.00 C ATOM 0 H MET A 71 -2.771 -4.519 4.237 1.00 0.00 H new ATOM 0 HA MET A 71 -2.236 -7.249 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.553 -4.726 3.870 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.168 -6.305 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.233 -6.668 1.630 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.030 -5.128 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.736 -5.811 -1.002 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.960 -6.078 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.446 -4.489 -1.148 1.00 0.00 H new ATOM 785 N ALA A 72 -0.843 -5.699 6.575 1.00 0.00 N ATOM 786 CA ALA A 72 -0.247 -5.890 7.890 1.00 0.00 C ATOM 787 C ALA A 72 -1.134 -6.815 8.716 1.00 0.00 C ATOM 788 O ALA A 72 -0.640 -7.780 9.293 1.00 0.00 O ATOM 789 CB ALA A 72 -0.040 -4.542 8.600 1.00 0.00 C ATOM 0 H ALA A 72 -0.999 -4.719 6.341 1.00 0.00 H new ATOM 0 HA ALA A 72 0.735 -6.350 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.406 -4.712 9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.622 -3.914 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.001 -4.043 8.721 1.00 0.00 H new ATOM 795 N ARG A 73 -2.442 -6.554 8.741 1.00 0.00 N ATOM 796 CA ARG A 73 -3.429 -7.379 9.432 1.00 0.00 C ATOM 797 C ARG A 73 -3.458 -8.805 8.881 1.00 0.00 C ATOM 798 O ARG A 73 -3.574 -9.747 9.669 1.00 0.00 O ATOM 799 CB ARG A 73 -4.805 -6.707 9.326 1.00 0.00 C ATOM 800 CG ARG A 73 -4.927 -5.504 10.268 1.00 0.00 C ATOM 801 CD ARG A 73 -6.112 -4.611 9.896 1.00 0.00 C ATOM 802 NE ARG A 73 -6.137 -3.406 10.733 1.00 0.00 N ATOM 803 CZ ARG A 73 -6.963 -2.364 10.600 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.923 -2.345 9.680 1.00 0.00 N ATOM 805 NH2 ARG A 73 -6.787 -1.322 11.402 1.00 0.00 N ATOM 0 H ARG A 73 -2.851 -5.746 8.271 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.150 -7.461 10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.972 -6.382 8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.583 -7.433 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.044 -5.855 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.007 -4.920 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.045 -4.329 8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.043 -5.164 10.019 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.457 -3.359 11.491 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.044 -3.140 9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.539 -1.536 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.038 -1.332 12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.400 -0.511 11.326 1.00 0.00 H new ATOM 819 N LEU A 74 -3.350 -9.002 7.564 1.00 0.00 N ATOM 820 CA LEU A 74 -3.275 -10.322 6.969 1.00 0.00 C ATOM 821 C LEU A 74 -2.010 -11.030 7.422 1.00 0.00 C ATOM 822 O LEU A 74 -2.104 -12.139 7.943 1.00 0.00 O ATOM 823 CB LEU A 74 -3.313 -10.205 5.441 1.00 0.00 C ATOM 824 CG LEU A 74 -4.737 -10.087 4.887 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.695 -9.582 3.448 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.506 -11.412 4.953 1.00 0.00 C ATOM 0 H LEU A 74 -3.313 -8.242 6.885 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.132 -10.912 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.736 -9.333 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.829 -11.078 5.003 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.269 -9.374 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.711 -9.501 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.217 -8.603 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.128 -10.281 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.508 -11.272 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.981 -12.167 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.576 -11.741 5.990 1.00 0.00 H new ATOM 838 N GLN A 75 -0.845 -10.405 7.282 1.00 0.00 N ATOM 839 CA GLN A 75 0.427 -11.007 7.645 1.00 0.00 C ATOM 840 C GLN A 75 0.452 -11.336 9.140 1.00 0.00 C ATOM 841 O GLN A 75 0.930 -12.401 9.537 1.00 0.00 O ATOM 842 CB GLN A 75 1.553 -10.039 7.234 1.00 0.00 C ATOM 843 CG GLN A 75 2.933 -10.682 7.019 1.00 0.00 C ATOM 844 CD GLN A 75 2.945 -11.708 5.881 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.475 -12.829 6.053 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.479 -11.374 4.717 1.00 0.00 N ATOM 0 H GLN A 75 -0.760 -9.459 6.910 1.00 0.00 H new ATOM 0 HA GLN A 75 0.573 -11.951 7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.258 -9.537 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.645 -9.270 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.662 -9.901 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.249 -11.168 7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.867 -10.440 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.502 -12.050 3.954 1.00 0.00 H new ATOM 855 N GLU A 76 -0.139 -10.465 9.956 1.00 0.00 N ATOM 856 CA GLU A 76 -0.347 -10.645 11.390 1.00 0.00 C ATOM 857 C GLU A 76 -1.259 -11.839 11.694 1.00 0.00 C ATOM 858 O GLU A 76 -1.043 -12.519 12.694 1.00 0.00 O ATOM 859 CB GLU A 76 -0.871 -9.327 11.992 1.00 0.00 C ATOM 860 CG GLU A 76 -1.156 -9.364 13.498 1.00 0.00 C ATOM 861 CD GLU A 76 -1.088 -7.964 14.123 1.00 0.00 C ATOM 862 OE1 GLU A 76 -1.887 -7.061 13.776 1.00 0.00 O ATOM 863 OE2 GLU A 76 -0.199 -7.735 14.975 1.00 0.00 O ATOM 0 H GLU A 76 -0.502 -9.574 9.619 1.00 0.00 H new ATOM 0 HA GLU A 76 0.606 -10.885 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.141 -8.541 11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.787 -9.048 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.143 -9.792 13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.435 -10.017 13.989 1.00 0.00 H new ATOM 870 N SER A 77 -2.198 -12.181 10.807 1.00 0.00 N ATOM 871 CA SER A 77 -3.005 -13.389 10.968 1.00 0.00 C ATOM 872 C SER A 77 -2.290 -14.636 10.437 1.00 0.00 C ATOM 873 O SER A 77 -2.801 -15.741 10.621 1.00 0.00 O ATOM 874 CB SER A 77 -4.368 -13.206 10.286 1.00 0.00 C ATOM 875 OG SER A 77 -4.298 -13.175 8.868 1.00 0.00 O ATOM 0 H SER A 77 -2.416 -11.638 9.972 1.00 0.00 H new ATOM 0 HA SER A 77 -3.160 -13.545 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.028 -14.018 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.819 -12.279 10.639 1.00 0.00 H new ATOM 0 HG SER A 77 -3.463 -12.744 8.591 1.00 0.00 H new ATOM 881 N GLY A 78 -1.133 -14.487 9.779 1.00 0.00 N ATOM 882 CA GLY A 78 -0.503 -15.576 9.047 1.00 0.00 C ATOM 883 C GLY A 78 -1.277 -15.891 7.769 1.00 0.00 C ATOM 884 O GLY A 78 -1.448 -17.060 7.425 1.00 0.00 O ATOM 0 H GLY A 78 -0.615 -13.609 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.524 -15.307 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.456 -16.464 9.677 1.00 0.00 H new ATOM 888 N SER A 79 -1.766 -14.859 7.080 1.00 0.00 N ATOM 889 CA SER A 79 -2.337 -14.957 5.743 1.00 0.00 C ATOM 890 C SER A 79 -1.442 -14.164 4.779 1.00 0.00 C ATOM 891 O SER A 79 -0.764 -13.232 5.226 1.00 0.00 O ATOM 892 CB SER A 79 -3.755 -14.383 5.753 1.00 0.00 C ATOM 893 OG SER A 79 -4.572 -14.981 6.749 1.00 0.00 O ATOM 0 H SER A 79 -1.774 -13.908 7.449 1.00 0.00 H new ATOM 0 HA SER A 79 -2.389 -15.997 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.708 -13.307 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.212 -14.532 4.774 1.00 0.00 H new ATOM 0 HG SER A 79 -4.544 -14.438 7.565 1.00 0.00 H new ATOM 899 N PRO A 80 -1.419 -14.494 3.475 1.00 0.00 N ATOM 900 CA PRO A 80 -0.601 -13.779 2.512 1.00 0.00 C ATOM 901 C PRO A 80 -1.112 -12.362 2.284 1.00 0.00 C ATOM 902 O PRO A 80 -2.272 -12.042 2.534 1.00 0.00 O ATOM 903 CB PRO A 80 -0.672 -14.577 1.209 1.00 0.00 C ATOM 904 CG PRO A 80 -1.928 -15.432 1.337 1.00 0.00 C ATOM 905 CD PRO A 80 -2.138 -15.583 2.843 1.00 0.00 C ATOM 0 HA PRO A 80 0.422 -13.688 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.731 -13.916 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.215 -15.196 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.784 -14.952 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.799 -16.401 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.198 -15.543 3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.765 -16.546 3.191 1.00 0.00 H new ATOM 913 N ILE A 81 -0.250 -11.556 1.673 1.00 0.00 N ATOM 914 CA ILE A 81 -0.532 -10.204 1.206 1.00 0.00 C ATOM 915 C ILE A 81 -0.831 -10.204 -0.304 1.00 0.00 C ATOM 916 O ILE A 81 -0.627 -9.200 -0.983 1.00 0.00 O ATOM 917 CB ILE A 81 0.621 -9.273 1.646 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.975 -9.675 1.012 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.686 -9.250 3.190 1.00 0.00 C ATOM 920 CD1 ILE A 81 3.121 -8.773 1.468 1.00 0.00 C ATOM 0 H ILE A 81 0.710 -11.842 1.481 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.439 -9.808 1.664 1.00 0.00 H new ATOM 0 HB ILE A 81 0.418 -8.265 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.203 -10.708 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.892 -9.632 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.497 -8.596 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.258 -8.879 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.866 -10.259 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.049 -9.096 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.908 -7.743 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.225 -8.836 2.551 1.00 0.00 H new ATOM 932 N ASP A 82 -1.318 -11.335 -0.830 1.00 0.00 N ATOM 933 CA ASP A 82 -1.752 -11.455 -2.224 1.00 0.00 C ATOM 934 C ASP A 82 -2.936 -10.550 -2.526 1.00 0.00 C ATOM 935 O ASP A 82 -3.749 -10.294 -1.636 1.00 0.00 O ATOM 936 CB ASP A 82 -2.190 -12.898 -2.514 1.00 0.00 C ATOM 937 CG ASP A 82 -1.901 -13.359 -3.942 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.705 -12.522 -4.850 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.943 -14.590 -4.177 1.00 0.00 O ATOM 0 H ASP A 82 -1.422 -12.197 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.905 -11.165 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.685 -13.567 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.259 -12.988 -2.323 1.00 0.00 H new ATOM 944 N LEU A 83 -3.089 -10.141 -3.790 1.00 0.00 N ATOM 945 CA LEU A 83 -4.168 -9.253 -4.222 1.00 0.00 C ATOM 946 C LEU A 83 -5.527 -9.799 -3.803 1.00 0.00 C ATOM 947 O LEU A 83 -6.332 -9.088 -3.206 1.00 0.00 O ATOM 948 CB LEU A 83 -4.126 -9.003 -5.736 1.00 0.00 C ATOM 949 CG LEU A 83 -5.376 -8.257 -6.226 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.570 -6.925 -5.542 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.271 -7.916 -7.699 1.00 0.00 C ATOM 0 H LEU A 83 -2.462 -10.420 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.016 -8.295 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.237 -8.424 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.043 -9.955 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.200 -8.936 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.469 -6.445 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.675 -7.079 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.707 -6.288 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.171 -7.389 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.401 -7.281 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.165 -8.833 -8.278 1.00 0.00 H new ATOM 963 N ILE A 84 -5.816 -11.047 -4.157 1.00 0.00 N ATOM 964 CA ILE A 84 -7.138 -11.607 -4.022 1.00 0.00 C ATOM 965 C ILE A 84 -7.487 -11.693 -2.533 1.00 0.00 C ATOM 966 O ILE A 84 -8.581 -11.302 -2.118 1.00 0.00 O ATOM 967 CB ILE A 84 -7.123 -12.975 -4.727 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.274 -13.035 -6.018 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.552 -13.431 -5.022 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.620 -12.013 -7.105 1.00 0.00 C ATOM 0 H ILE A 84 -5.130 -11.694 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.909 -10.992 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.637 -13.654 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.227 -12.903 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.369 -14.034 -6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.529 -14.400 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.107 -13.517 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.041 -12.702 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.958 -12.153 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.654 -12.153 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.494 -11.005 -6.710 1.00 0.00 H new ATOM 982 N THR A 85 -6.517 -12.145 -1.739 1.00 0.00 N ATOM 983 CA THR A 85 -6.580 -12.236 -0.299 1.00 0.00 C ATOM 984 C THR A 85 -6.831 -10.866 0.334 1.00 0.00 C ATOM 985 O THR A 85 -7.718 -10.738 1.180 1.00 0.00 O ATOM 986 CB THR A 85 -5.301 -12.940 0.188 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.243 -14.223 -0.417 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.261 -13.071 1.708 1.00 0.00 C ATOM 0 H THR A 85 -5.625 -12.472 -2.111 1.00 0.00 H new ATOM 0 HA THR A 85 -7.432 -12.836 0.021 1.00 0.00 H new ATOM 0 HB THR A 85 -4.438 -12.339 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.919 -14.878 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.341 -13.574 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.295 -12.080 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.118 -13.653 2.046 1.00 0.00 H new ATOM 996 N LEU A 86 -6.079 -9.856 -0.097 1.00 0.00 N ATOM 997 CA LEU A 86 -6.183 -8.467 0.334 1.00 0.00 C ATOM 998 C LEU A 86 -7.574 -7.931 0.085 1.00 0.00 C ATOM 999 O LEU A 86 -8.193 -7.382 0.997 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.150 -7.602 -0.401 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.139 -6.136 0.066 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.776 -5.994 1.549 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.147 -5.345 -0.786 1.00 0.00 C ATOM 0 H LEU A 86 -5.344 -9.993 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.982 -8.428 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.158 -8.030 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.356 -7.633 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.148 -5.743 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.783 -4.940 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.504 -6.533 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.783 -6.408 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.135 -4.305 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.150 -5.772 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.447 -5.393 -1.833 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.043 -8.073 -1.150 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.342 -7.584 -1.564 1.00 0.00 C ATOM 1017 C ALA A 87 -10.451 -8.193 -0.706 1.00 0.00 C ATOM 1018 O ALA A 87 -11.281 -7.453 -0.189 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.554 -7.888 -3.041 1.00 0.00 C ATOM 0 H ALA A 87 -7.523 -8.536 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.379 -6.504 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.532 -7.520 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.778 -7.397 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.504 -8.965 -3.202 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.436 -9.512 -0.501 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.407 -10.208 0.348 1.00 0.00 C ATOM 1027 C GLU A 88 -11.327 -9.733 1.805 1.00 0.00 C ATOM 1028 O GLU A 88 -12.341 -9.695 2.510 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.161 -11.725 0.265 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.998 -12.424 -0.817 1.00 0.00 C ATOM 1031 CD GLU A 88 -13.417 -12.821 -0.393 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.837 -12.638 0.776 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -14.157 -13.347 -1.259 1.00 0.00 O ATOM 0 H GLU A 88 -9.745 -10.132 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.409 -9.977 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.104 -11.903 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.384 -12.175 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.066 -11.765 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.469 -13.321 -1.140 1.00 0.00 H new ATOM 1040 N SER A 89 -10.137 -9.356 2.274 1.00 0.00 N ATOM 1041 CA SER A 89 -9.949 -8.837 3.614 1.00 0.00 C ATOM 1042 C SER A 89 -10.608 -7.456 3.710 1.00 0.00 C ATOM 1043 O SER A 89 -11.434 -7.202 4.588 1.00 0.00 O ATOM 1044 CB SER A 89 -8.446 -8.827 3.929 1.00 0.00 C ATOM 1045 OG SER A 89 -8.220 -9.193 5.276 1.00 0.00 O ATOM 0 H SER A 89 -9.278 -9.405 1.727 1.00 0.00 H new ATOM 0 HA SER A 89 -10.428 -9.465 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.925 -9.518 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.036 -7.835 3.742 1.00 0.00 H new ATOM 0 HG SER A 89 -7.408 -8.753 5.603 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.293 -6.572 2.762 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.874 -5.242 2.654 1.00 0.00 C ATOM 1053 C LEU A 90 -12.392 -5.315 2.474 1.00 0.00 C ATOM 1054 O LEU A 90 -13.096 -4.431 2.956 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.231 -4.494 1.478 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.838 -3.906 1.783 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.154 -3.521 0.469 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.900 -2.655 2.675 1.00 0.00 C ATOM 0 H LEU A 90 -9.609 -6.771 2.032 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.675 -4.700 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.147 -5.176 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.894 -3.685 1.171 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.280 -4.674 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.169 -3.105 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.047 -4.406 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.758 -2.778 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.890 -2.286 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.485 -1.882 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.369 -2.909 3.626 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.923 -6.326 1.793 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.361 -6.555 1.685 1.00 0.00 C ATOM 1072 C GLU A 91 -14.986 -6.907 3.017 1.00 0.00 C ATOM 1073 O GLU A 91 -15.968 -6.252 3.372 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.710 -7.659 0.672 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.674 -7.171 -0.773 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.078 -8.276 -1.754 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -14.373 -9.302 -1.855 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.091 -8.106 -2.478 1.00 0.00 O ATOM 0 H GLU A 91 -12.362 -7.017 1.295 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.772 -5.609 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.010 -8.486 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.704 -8.048 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.346 -6.320 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.671 -6.820 -1.014 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.465 -7.886 3.770 1.00 0.00 N ATOM 1086 CA ARG A 92 -15.104 -8.186 5.048 1.00 0.00 C ATOM 1087 C ARG A 92 -15.006 -6.976 5.982 1.00 0.00 C ATOM 1088 O ARG A 92 -15.925 -6.763 6.772 1.00 0.00 O ATOM 1089 CB ARG A 92 -14.620 -9.510 5.663 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.242 -9.455 6.329 1.00 0.00 C ATOM 1091 CD ARG A 92 -12.946 -10.746 7.110 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.130 -11.684 6.322 1.00 0.00 N ATOM 1093 CZ ARG A 92 -10.820 -11.569 6.093 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -10.147 -10.593 6.686 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -10.192 -12.403 5.270 1.00 0.00 N ATOM 0 H ARG A 92 -13.650 -8.452 3.532 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.166 -8.361 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.351 -9.837 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.598 -10.269 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.475 -9.303 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.196 -8.601 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.426 -10.500 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.884 -11.226 7.389 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.606 -12.490 5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.631 -9.944 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.145 -10.491 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.712 -13.145 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.190 -12.300 5.107 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.971 -6.139 5.846 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.872 -4.878 6.574 1.00 0.00 C ATOM 1111 C GLN A 93 -14.830 -3.812 6.022 1.00 0.00 C ATOM 1112 O GLN A 93 -15.134 -2.862 6.750 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.432 -4.332 6.514 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.357 -5.214 7.171 1.00 0.00 C ATOM 1115 CD GLN A 93 -11.292 -5.113 8.696 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -12.303 -4.929 9.377 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -10.122 -5.285 9.282 1.00 0.00 N ATOM 0 H GLN A 93 -13.181 -6.321 5.227 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.151 -5.090 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.163 -4.182 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.414 -3.352 6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.541 -6.253 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.384 -4.944 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.286 -5.437 8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.054 -5.266 10.300 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.312 -3.916 4.777 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.132 -2.867 4.184 1.00 0.00 C ATOM 1128 C GLY A 94 -15.273 -1.646 3.885 1.00 0.00 C ATOM 1129 O GLY A 94 -15.582 -0.539 4.319 1.00 0.00 O ATOM 0 H GLY A 94 -15.145 -4.716 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.595 -3.230 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.940 -2.597 4.864 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.148 -1.861 3.203 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.164 -0.849 2.841 1.00 0.00 C ATOM 1135 C GLN A 95 -12.696 -0.992 1.394 1.00 0.00 C ATOM 1136 O GLN A 95 -12.017 -0.091 0.905 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.939 -0.955 3.759 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.249 -0.599 5.214 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.021 -0.695 6.113 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -9.881 -0.679 5.660 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.227 -0.790 7.412 1.00 0.00 N ATOM 0 H GLN A 95 -13.889 -2.791 2.874 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.650 0.120 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.546 -1.971 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.156 -0.294 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.650 0.413 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.024 -1.266 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.179 -0.802 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.434 -0.851 8.051 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.030 -2.086 0.693 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.555 -2.293 -0.675 1.00 0.00 C ATOM 1152 C LEU A 96 -13.008 -1.139 -1.569 1.00 0.00 C ATOM 1153 O LEU A 96 -12.219 -0.591 -2.334 1.00 0.00 O ATOM 1154 CB LEU A 96 -12.997 -3.654 -1.227 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.405 -3.916 -2.628 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -10.872 -3.849 -2.651 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -12.813 -5.302 -3.110 1.00 0.00 C ATOM 0 H LEU A 96 -13.623 -2.834 1.052 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.465 -2.304 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.683 -4.444 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.085 -3.691 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.796 -3.132 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.515 -4.041 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.546 -2.858 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.465 -4.599 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.392 -5.482 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.439 -6.054 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.900 -5.364 -3.161 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.256 -0.708 -1.417 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.796 0.468 -2.088 1.00 0.00 C ATOM 1171 C ASP A 97 -13.964 1.722 -1.799 1.00 0.00 C ATOM 1172 O ASP A 97 -13.698 2.529 -2.688 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.256 0.674 -1.658 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.439 1.355 -0.298 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -15.790 0.968 0.701 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.250 2.307 -0.230 1.00 0.00 O ATOM 0 H ASP A 97 -14.932 -1.175 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.753 0.299 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.762 1.270 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.752 -0.296 -1.632 1.00 0.00 H new ATOM 1181 N SER A 98 -13.519 1.878 -0.556 1.00 0.00 N ATOM 1182 CA SER A 98 -12.898 3.069 -0.016 1.00 0.00 C ATOM 1183 C SER A 98 -11.425 3.173 -0.407 1.00 0.00 C ATOM 1184 O SER A 98 -10.871 4.277 -0.352 1.00 0.00 O ATOM 1185 CB SER A 98 -13.113 3.077 1.500 1.00 0.00 C ATOM 1186 OG SER A 98 -14.509 3.062 1.766 1.00 0.00 O ATOM 0 H SER A 98 -13.589 1.131 0.135 1.00 0.00 H new ATOM 0 HA SER A 98 -13.365 3.956 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.633 2.210 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.654 3.962 1.941 1.00 0.00 H new ATOM 0 HG SER A 98 -14.874 2.179 1.548 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.798 2.075 -0.849 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.478 2.140 -1.467 1.00 0.00 C ATOM 1194 C VAL A 99 -9.588 2.465 -2.960 1.00 0.00 C ATOM 1195 O VAL A 99 -8.584 2.819 -3.567 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.620 0.885 -1.194 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.493 0.656 0.316 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.122 -0.407 -1.839 1.00 0.00 C ATOM 0 H VAL A 99 -11.188 1.134 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.942 2.961 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.658 1.104 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.887 -0.231 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.018 1.522 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.484 0.514 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.449 -1.226 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.123 -0.633 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.153 -0.285 -2.922 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.789 2.422 -3.541 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.042 2.669 -4.957 1.00 0.00 C ATOM 1210 C GLY A 100 -11.610 1.447 -5.684 1.00 0.00 C ATOM 1211 O GLY A 100 -11.725 1.465 -6.913 1.00 0.00 O ATOM 0 H GLY A 100 -11.638 2.207 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.739 3.501 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.113 2.973 -5.439 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.963 0.393 -4.949 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.478 -0.863 -5.460 1.00 0.00 C ATOM 1217 C GLY A 101 -11.348 -1.853 -5.735 1.00 0.00 C ATOM 1218 O GLY A 101 -10.167 -1.492 -5.717 1.00 0.00 O ATOM 0 H GLY A 101 -11.891 0.399 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.175 -1.293 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.038 -0.683 -6.377 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.718 -3.096 -6.056 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.801 -4.113 -6.567 1.00 0.00 C ATOM 1224 C PHE A 102 -10.001 -3.548 -7.736 1.00 0.00 C ATOM 1225 O PHE A 102 -8.796 -3.758 -7.820 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.566 -5.367 -7.026 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.674 -6.586 -7.163 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.806 -6.731 -8.265 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.703 -7.586 -6.175 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.947 -7.841 -8.351 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.845 -8.696 -6.264 1.00 0.00 C ATOM 1232 CZ PHE A 102 -8.957 -8.818 -7.342 1.00 0.00 C ATOM 0 H PHE A 102 -12.679 -3.427 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.125 -4.397 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.361 -5.583 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.045 -5.164 -7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.801 -5.986 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.388 -7.501 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.279 -7.942 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.870 -9.458 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.283 -9.660 -7.396 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.664 -2.794 -8.613 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.063 -2.172 -9.774 1.00 0.00 C ATOM 1244 C ALA A 103 -8.873 -1.285 -9.409 1.00 0.00 C ATOM 1245 O ALA A 103 -7.917 -1.246 -10.182 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.141 -1.368 -10.509 1.00 0.00 C ATOM 0 H ALA A 103 -11.661 -2.599 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.669 -2.954 -10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.705 -0.892 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.945 -2.036 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.542 -0.603 -9.844 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.897 -0.597 -8.262 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.759 0.195 -7.809 1.00 0.00 C ATOM 1254 C TYR A 104 -6.603 -0.731 -7.456 1.00 0.00 C ATOM 1255 O TYR A 104 -5.490 -0.524 -7.923 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.151 1.068 -6.613 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.135 2.135 -6.249 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.223 3.402 -6.850 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.147 1.896 -5.272 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.351 4.434 -6.475 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.272 2.929 -4.885 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.376 4.202 -5.484 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.554 5.217 -5.098 1.00 0.00 O ATOM 0 H TYR A 104 -9.698 -0.576 -7.631 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.442 0.860 -8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.104 1.551 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.309 0.425 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.970 3.583 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.061 0.919 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.426 5.404 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.522 2.747 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.709 4.846 -4.768 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.849 -1.786 -6.674 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.794 -2.727 -6.309 1.00 0.00 C ATOM 1275 C LEU A 105 -5.219 -3.410 -7.544 1.00 0.00 C ATOM 1276 O LEU A 105 -4.007 -3.564 -7.656 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.299 -3.812 -5.360 1.00 0.00 C ATOM 1278 CG LEU A 105 -6.988 -3.349 -4.072 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.495 -4.571 -3.305 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -5.998 -2.571 -3.204 1.00 0.00 C ATOM 0 H LEU A 105 -7.766 -2.007 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.023 -2.141 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.998 -4.443 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.452 -4.440 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.827 -2.700 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.986 -4.247 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.206 -5.119 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.655 -5.219 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.494 -2.245 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.154 -3.213 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.639 -1.700 -3.753 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.072 -3.809 -8.489 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.614 -4.418 -9.720 1.00 0.00 C ATOM 1294 C ALA A 106 -4.816 -3.413 -10.567 1.00 0.00 C ATOM 1295 O ALA A 106 -4.054 -3.828 -11.435 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.819 -4.969 -10.484 1.00 0.00 C ATOM 0 H ALA A 106 -7.085 -3.717 -8.416 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.939 -5.242 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.482 -5.429 -11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.327 -5.715 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.508 -4.156 -10.712 1.00 0.00 H new ATOM 1302 N GLU A 107 -4.971 -2.106 -10.334 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.162 -1.053 -10.930 1.00 0.00 C ATOM 1304 C GLU A 107 -2.746 -1.133 -10.365 1.00 0.00 C ATOM 1305 O GLU A 107 -1.822 -1.360 -11.138 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.827 0.313 -10.701 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.565 1.319 -11.817 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.750 2.277 -11.901 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.775 3.279 -11.149 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -6.671 2.017 -12.709 1.00 0.00 O ATOM 0 H GLU A 107 -5.688 -1.746 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.091 -1.185 -12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.903 0.170 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.469 0.728 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.646 1.871 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.429 0.802 -12.767 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.568 -1.051 -9.037 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.289 -1.329 -8.382 1.00 0.00 C ATOM 1319 C LEU A 108 -0.653 -2.598 -8.948 1.00 0.00 C ATOM 1320 O LEU A 108 0.496 -2.576 -9.387 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.460 -1.465 -6.859 1.00 0.00 C ATOM 1322 CG LEU A 108 -1.669 -0.115 -6.154 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.097 0.127 -5.673 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -0.758 -0.035 -4.932 1.00 0.00 C ATOM 0 H LEU A 108 -3.311 -0.789 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.630 -0.484 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.312 -2.113 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.579 -1.953 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.438 0.644 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.157 1.101 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.777 0.104 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.378 -0.650 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.905 0.922 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.999 -0.846 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.282 -0.124 -5.247 1.00 0.00 H new ATOM 1336 N SER A 109 -1.415 -3.690 -8.973 1.00 0.00 N ATOM 1337 CA SER A 109 -0.939 -5.005 -9.359 1.00 0.00 C ATOM 1338 C SER A 109 -0.454 -4.998 -10.812 1.00 0.00 C ATOM 1339 O SER A 109 0.652 -5.466 -11.100 1.00 0.00 O ATOM 1340 CB SER A 109 -2.068 -6.019 -9.124 1.00 0.00 C ATOM 1341 OG SER A 109 -1.554 -7.240 -8.649 1.00 0.00 O ATOM 0 H SER A 109 -2.403 -3.678 -8.718 1.00 0.00 H new ATOM 0 HA SER A 109 -0.081 -5.293 -8.751 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.781 -5.616 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.612 -6.186 -10.054 1.00 0.00 H new ATOM 0 HG SER A 109 -2.290 -7.871 -8.504 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.251 -4.461 -11.745 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.856 -4.445 -13.159 1.00 0.00 C ATOM 1349 C LYS A 110 0.304 -3.484 -13.406 1.00 0.00 C ATOM 1350 O LYS A 110 1.075 -3.688 -14.346 1.00 0.00 O ATOM 1351 CB LYS A 110 -2.054 -4.177 -14.094 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.397 -2.688 -14.276 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.634 -2.413 -15.134 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.906 -2.941 -14.469 1.00 0.00 C ATOM 1355 NZ LYS A 110 -6.118 -2.405 -15.115 1.00 0.00 N ATOM 0 H LYS A 110 -2.159 -4.038 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.496 -5.444 -13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.841 -4.610 -15.071 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.929 -4.694 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.548 -2.242 -13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.541 -2.185 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.729 -1.341 -15.304 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.512 -2.881 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.918 -4.030 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.905 -2.669 -13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.962 -2.784 -14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.118 -1.367 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.131 -2.685 -16.116 1.00 0.00 H new ATOM 1369 N ASN A 111 0.438 -2.461 -12.568 1.00 0.00 N ATOM 1370 CA ASN A 111 1.448 -1.412 -12.660 1.00 0.00 C ATOM 1371 C ASN A 111 2.665 -1.729 -11.788 1.00 0.00 C ATOM 1372 O ASN A 111 3.389 -0.825 -11.353 1.00 0.00 O ATOM 1373 CB ASN A 111 0.852 -0.054 -12.260 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.289 0.450 -13.134 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -0.400 0.145 -14.319 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -1.152 1.276 -12.571 1.00 0.00 N ATOM 0 H ASN A 111 -0.183 -2.335 -11.769 1.00 0.00 H new ATOM 0 HA ASN A 111 1.779 -1.363 -13.697 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.495 -0.123 -11.233 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.649 0.689 -12.271 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.918 1.666 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.053 1.524 -11.587 1.00 0.00 H new ATOM 1383 N THR A 112 2.875 -3.007 -11.493 1.00 0.00 N ATOM 1384 CA THR A 112 4.034 -3.489 -10.765 1.00 0.00 C ATOM 1385 C THR A 112 5.037 -4.058 -11.778 1.00 0.00 C ATOM 1386 O THR A 112 4.756 -5.106 -12.367 1.00 0.00 O ATOM 1387 CB THR A 112 3.627 -4.528 -9.721 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.701 -3.984 -8.815 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.857 -4.914 -8.897 1.00 0.00 C ATOM 0 H THR A 112 2.228 -3.749 -11.761 1.00 0.00 H new ATOM 0 HA THR A 112 4.503 -2.670 -10.220 1.00 0.00 H new ATOM 0 HB THR A 112 3.196 -5.381 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.903 -3.688 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.576 -5.655 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.619 -5.333 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.254 -4.029 -8.399 1.00 0.00 H new ATOM 1397 N PRO A 113 6.210 -3.434 -11.985 1.00 0.00 N ATOM 1398 CA PRO A 113 7.294 -3.961 -12.807 1.00 0.00 C ATOM 1399 C PRO A 113 8.033 -5.096 -12.069 1.00 0.00 C ATOM 1400 O PRO A 113 9.245 -5.036 -11.860 1.00 0.00 O ATOM 1401 CB PRO A 113 8.170 -2.734 -13.113 1.00 0.00 C ATOM 1402 CG PRO A 113 8.025 -1.886 -11.855 1.00 0.00 C ATOM 1403 CD PRO A 113 6.558 -2.108 -11.503 1.00 0.00 C ATOM 0 HA PRO A 113 6.958 -4.426 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.208 -3.014 -13.293 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.825 -2.203 -14.000 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.692 -2.217 -11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.247 -0.835 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.403 -2.034 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.929 -1.349 -11.969 1.00 0.00 H new ATOM 1411 N SER A 114 7.309 -6.152 -11.682 1.00 0.00 N ATOM 1412 CA SER A 114 7.820 -7.324 -10.974 1.00 0.00 C ATOM 1413 C SER A 114 8.664 -6.957 -9.738 1.00 0.00 C ATOM 1414 O SER A 114 9.748 -7.506 -9.542 1.00 0.00 O ATOM 1415 CB SER A 114 8.568 -8.226 -11.968 1.00 0.00 C ATOM 1416 OG SER A 114 7.733 -8.580 -13.054 1.00 0.00 O ATOM 0 H SER A 114 6.307 -6.213 -11.863 1.00 0.00 H new ATOM 0 HA SER A 114 6.976 -7.882 -10.568 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.454 -7.710 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.913 -9.127 -11.460 1.00 0.00 H new ATOM 0 HG SER A 114 8.229 -9.153 -13.675 1.00 0.00 H new ATOM 1422 N ALA A 115 8.153 -6.047 -8.897 1.00 0.00 N ATOM 1423 CA ALA A 115 8.772 -5.468 -7.704 1.00 0.00 C ATOM 1424 C ALA A 115 9.992 -4.606 -8.054 1.00 0.00 C ATOM 1425 O ALA A 115 9.936 -3.388 -7.870 1.00 0.00 O ATOM 1426 CB ALA A 115 9.050 -6.526 -6.626 1.00 0.00 C ATOM 0 H ALA A 115 7.218 -5.668 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 115 8.049 -4.785 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.509 -6.051 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.113 -6.996 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.725 -7.283 -7.025 1.00 0.00 H new ATOM 1432 N ALA A 116 11.050 -5.221 -8.584 1.00 0.00 N ATOM 1433 CA ALA A 116 12.297 -4.608 -9.020 1.00 0.00 C ATOM 1434 C ALA A 116 12.809 -3.581 -8.003 1.00 0.00 C ATOM 1435 O ALA A 116 13.179 -3.953 -6.893 1.00 0.00 O ATOM 1436 CB ALA A 116 12.120 -4.082 -10.454 1.00 0.00 C ATOM 0 H ALA A 116 11.054 -6.231 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 116 13.096 -5.349 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.049 -3.621 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.866 -4.910 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.320 -3.342 -10.474 1.00 0.00 H new ATOM 1442 N ASN A 117 12.807 -2.290 -8.351 1.00 0.00 N ATOM 1443 CA ASN A 117 13.362 -1.183 -7.562 1.00 0.00 C ATOM 1444 C ASN A 117 12.488 -0.839 -6.345 1.00 0.00 C ATOM 1445 O ASN A 117 12.460 0.307 -5.902 1.00 0.00 O ATOM 1446 CB ASN A 117 13.565 0.052 -8.464 1.00 0.00 C ATOM 1447 CG ASN A 117 14.620 -0.189 -9.530 1.00 0.00 C ATOM 1448 OD1 ASN A 117 14.356 -0.896 -10.501 1.00 0.00 O ATOM 1449 ND2 ASN A 117 15.829 0.326 -9.370 1.00 0.00 N ATOM 0 H ASN A 117 12.400 -1.973 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 117 14.328 -1.503 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.620 0.312 -8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.857 0.905 -7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.558 0.138 -10.058 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.031 0.910 -8.559 1.00 0.00 H new ATOM 1456 N ILE A 118 11.734 -1.794 -5.809 1.00 0.00 N ATOM 1457 CA ILE A 118 10.754 -1.612 -4.750 1.00 0.00 C ATOM 1458 C ILE A 118 11.357 -0.902 -3.549 1.00 0.00 C ATOM 1459 O ILE A 118 10.836 0.111 -3.098 1.00 0.00 O ATOM 1460 CB ILE A 118 10.151 -2.991 -4.406 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.792 -2.792 -3.715 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.098 -3.970 -3.687 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.177 -4.060 -3.127 1.00 0.00 C ATOM 0 H ILE A 118 11.795 -2.764 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 118 9.949 -0.959 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 118 9.986 -3.516 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.911 -2.059 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.093 -2.367 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.575 -4.906 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.967 -4.164 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.424 -3.534 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.221 -3.819 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.020 -4.790 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.850 -4.477 -2.378 1.00 0.00 H new ATOM 1475 N SER A 119 12.485 -1.404 -3.073 1.00 0.00 N ATOM 1476 CA SER A 119 13.179 -0.871 -1.911 1.00 0.00 C ATOM 1477 C SER A 119 13.698 0.548 -2.163 1.00 0.00 C ATOM 1478 O SER A 119 13.836 1.334 -1.222 1.00 0.00 O ATOM 1479 CB SER A 119 14.317 -1.821 -1.534 1.00 0.00 C ATOM 1480 OG SER A 119 13.871 -3.160 -1.626 1.00 0.00 O ATOM 0 H SER A 119 12.953 -2.208 -3.491 1.00 0.00 H new ATOM 0 HA SER A 119 12.477 -0.800 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.168 -1.665 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.659 -1.610 -0.521 1.00 0.00 H new ATOM 0 HG SER A 119 14.162 -3.657 -0.833 1.00 0.00 H new ATOM 1486 N ALA A 120 13.973 0.894 -3.423 1.00 0.00 N ATOM 1487 CA ALA A 120 14.376 2.235 -3.813 1.00 0.00 C ATOM 1488 C ALA A 120 13.166 3.163 -3.771 1.00 0.00 C ATOM 1489 O ALA A 120 13.280 4.264 -3.229 1.00 0.00 O ATOM 1490 CB ALA A 120 15.015 2.244 -5.205 1.00 0.00 C ATOM 0 H ALA A 120 13.920 0.240 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 120 15.128 2.590 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.305 3.262 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.898 1.604 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.298 1.872 -5.937 1.00 0.00 H new ATOM 1496 N TYR A 121 12.008 2.717 -4.283 1.00 0.00 N ATOM 1497 CA TYR A 121 10.784 3.498 -4.207 1.00 0.00 C ATOM 1498 C TYR A 121 10.388 3.674 -2.740 1.00 0.00 C ATOM 1499 O TYR A 121 9.992 4.766 -2.343 1.00 0.00 O ATOM 1500 CB TYR A 121 9.649 2.797 -4.963 1.00 0.00 C ATOM 1501 CG TYR A 121 9.679 2.846 -6.478 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.439 4.065 -7.137 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.798 1.663 -7.231 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.246 4.098 -8.526 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.648 1.691 -8.630 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.343 2.908 -9.278 1.00 0.00 C ATOM 1507 OH TYR A 121 9.160 2.961 -10.624 1.00 0.00 O ATOM 0 H TYR A 121 11.904 1.818 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 121 10.958 4.472 -4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.641 1.750 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.706 3.232 -4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.403 4.983 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.006 0.728 -6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.024 5.033 -9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.766 0.785 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 121 9.259 2.063 -11.003 1.00 0.00 H new ATOM 1517 N ALA A 122 10.527 2.628 -1.923 1.00 0.00 N ATOM 1518 CA ALA A 122 10.208 2.681 -0.509 1.00 0.00 C ATOM 1519 C ALA A 122 11.076 3.714 0.197 1.00 0.00 C ATOM 1520 O ALA A 122 10.547 4.463 1.008 1.00 0.00 O ATOM 1521 CB ALA A 122 10.352 1.295 0.127 1.00 0.00 C ATOM 0 H ALA A 122 10.867 1.718 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 122 9.169 2.990 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.109 1.354 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.672 0.598 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.378 0.945 0.009 1.00 0.00 H new ATOM 1527 N ASP A 123 12.379 3.795 -0.093 1.00 0.00 N ATOM 1528 CA ASP A 123 13.195 4.845 0.517 1.00 0.00 C ATOM 1529 C ASP A 123 12.792 6.242 0.046 1.00 0.00 C ATOM 1530 O ASP A 123 12.843 7.190 0.818 1.00 0.00 O ATOM 1531 CB ASP A 123 14.693 4.626 0.324 1.00 0.00 C ATOM 1532 CG ASP A 123 15.430 5.064 1.598 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.452 6.272 1.913 1.00 0.00 O ATOM 1534 OD2 ASP A 123 15.957 4.186 2.319 1.00 0.00 O ATOM 0 H ASP A 123 12.877 3.168 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 123 12.994 4.779 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.896 3.576 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.050 5.198 -0.533 1.00 0.00 H new ATOM 1539 N ILE A 124 12.343 6.396 -1.200 1.00 0.00 N ATOM 1540 CA ILE A 124 11.791 7.674 -1.676 1.00 0.00 C ATOM 1541 C ILE A 124 10.546 8.057 -0.852 1.00 0.00 C ATOM 1542 O ILE A 124 10.402 9.233 -0.494 1.00 0.00 O ATOM 1543 CB ILE A 124 11.542 7.643 -3.208 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.894 7.571 -3.959 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.735 8.865 -3.701 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.756 7.187 -5.436 1.00 0.00 C ATOM 0 H ILE A 124 12.349 5.655 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 124 12.524 8.465 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 124 10.948 6.754 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.391 8.539 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.538 6.845 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.589 8.794 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.765 8.885 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.281 9.779 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.743 7.156 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.288 6.206 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.139 7.925 -5.948 1.00 0.00 H new ATOM 1558 N VAL A 125 9.658 7.100 -0.549 1.00 0.00 N ATOM 1559 CA VAL A 125 8.479 7.306 0.297 1.00 0.00 C ATOM 1560 C VAL A 125 8.916 7.628 1.731 1.00 0.00 C ATOM 1561 O VAL A 125 8.444 8.610 2.309 1.00 0.00 O ATOM 1562 CB VAL A 125 7.552 6.073 0.209 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.358 6.144 1.174 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.006 5.923 -1.220 1.00 0.00 C ATOM 0 H VAL A 125 9.743 6.143 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 125 7.904 8.162 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 125 8.163 5.215 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.746 5.249 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.722 6.209 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.757 7.024 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.354 5.051 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.440 6.815 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.836 5.796 -1.915 1.00 0.00 H new ATOM 1574 N ARG A 126 9.857 6.855 2.289 1.00 0.00 N ATOM 1575 CA ARG A 126 10.505 7.127 3.569 1.00 0.00 C ATOM 1576 C ARG A 126 10.970 8.572 3.590 1.00 0.00 C ATOM 1577 O ARG A 126 10.676 9.281 4.543 1.00 0.00 O ATOM 1578 CB ARG A 126 11.683 6.170 3.786 1.00 0.00 C ATOM 1579 CG ARG A 126 12.375 6.395 5.135 1.00 0.00 C ATOM 1580 CD ARG A 126 13.734 5.684 5.165 1.00 0.00 C ATOM 1581 NE ARG A 126 14.758 6.508 5.834 1.00 0.00 N ATOM 1582 CZ ARG A 126 15.258 7.655 5.346 1.00 0.00 C ATOM 1583 NH1 ARG A 126 15.146 7.981 4.058 1.00 0.00 N ATOM 1584 NH2 ARG A 126 15.864 8.486 6.177 1.00 0.00 N ATOM 0 H ARG A 126 10.195 6.000 1.846 1.00 0.00 H new ATOM 0 HA ARG A 126 9.795 6.968 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.327 5.141 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.408 6.301 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.512 7.463 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.744 6.021 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.636 4.731 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.052 5.461 4.147 1.00 0.00 H new ATOM 0 HE ARG A 126 15.113 6.183 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.670 7.351 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.537 8.860 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.944 8.250 7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.251 9.363 5.829 1.00 0.00 H new ATOM 1598 N GLU A 127 11.671 9.023 2.553 1.00 0.00 N ATOM 1599 CA GLU A 127 12.213 10.363 2.483 1.00 0.00 C ATOM 1600 C GLU A 127 11.082 11.379 2.590 1.00 0.00 C ATOM 1601 O GLU A 127 11.200 12.326 3.360 1.00 0.00 O ATOM 1602 CB GLU A 127 12.987 10.565 1.171 1.00 0.00 C ATOM 1603 CG GLU A 127 14.173 11.520 1.328 1.00 0.00 C ATOM 1604 CD GLU A 127 15.461 10.730 1.558 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.784 10.389 2.718 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.144 10.415 0.555 1.00 0.00 O ATOM 0 H GLU A 127 11.877 8.455 1.731 1.00 0.00 H new ATOM 0 HA GLU A 127 12.905 10.507 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.347 9.600 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.310 10.954 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.272 12.138 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.997 12.195 2.166 1.00 0.00 H new ATOM 1613 N ARG A 128 9.976 11.202 1.853 1.00 0.00 N ATOM 1614 CA ARG A 128 8.834 12.115 1.964 1.00 0.00 C ATOM 1615 C ARG A 128 8.318 12.126 3.398 1.00 0.00 C ATOM 1616 O ARG A 128 8.062 13.211 3.921 1.00 0.00 O ATOM 1617 CB ARG A 128 7.700 11.764 0.973 1.00 0.00 C ATOM 1618 CG ARG A 128 8.065 12.032 -0.493 1.00 0.00 C ATOM 1619 CD ARG A 128 8.118 13.533 -0.828 1.00 0.00 C ATOM 1620 NE ARG A 128 9.054 13.807 -1.927 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.308 15.006 -2.465 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.543 16.060 -2.202 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.346 15.151 -3.275 1.00 0.00 N ATOM 0 H ARG A 128 9.850 10.444 1.182 1.00 0.00 H new ATOM 0 HA ARG A 128 9.181 13.113 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.440 10.712 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.812 12.342 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.033 11.581 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.335 11.545 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.122 13.881 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.420 14.094 0.057 1.00 0.00 H new ATOM 0 HE ARG A 128 9.557 13.009 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.742 15.966 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.757 16.964 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.945 14.352 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.546 16.061 -3.689 1.00 0.00 H new ATOM 1637 N ALA A 129 8.178 10.965 4.035 1.00 0.00 N ATOM 1638 CA ALA A 129 7.690 10.858 5.399 1.00 0.00 C ATOM 1639 C ALA A 129 8.637 11.515 6.408 1.00 0.00 C ATOM 1640 O ALA A 129 8.160 12.253 7.267 1.00 0.00 O ATOM 1641 CB ALA A 129 7.438 9.392 5.735 1.00 0.00 C ATOM 0 H ALA A 129 8.404 10.066 3.610 1.00 0.00 H new ATOM 0 HA ALA A 129 6.750 11.405 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.072 9.311 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.694 8.984 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.368 8.831 5.637 1.00 0.00 H new ATOM 1647 N VAL A 130 9.949 11.300 6.305 1.00 0.00 N ATOM 1648 CA VAL A 130 10.957 11.927 7.158 1.00 0.00 C ATOM 1649 C VAL A 130 10.898 13.443 6.963 1.00 0.00 C ATOM 1650 O VAL A 130 10.818 14.192 7.929 1.00 0.00 O ATOM 1651 CB VAL A 130 12.352 11.325 6.870 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.475 12.078 7.600 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.433 9.847 7.294 1.00 0.00 C ATOM 0 H VAL A 130 10.349 10.670 5.609 1.00 0.00 H new ATOM 0 HA VAL A 130 10.753 11.724 8.209 1.00 0.00 H new ATOM 0 HB VAL A 130 12.488 11.418 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.434 11.617 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.484 13.119 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.304 12.033 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.428 9.460 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.238 9.764 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.690 9.269 6.744 1.00 0.00 H new ATOM 1663 N VAL A 131 10.830 13.914 5.721 1.00 0.00 N ATOM 1664 CA VAL A 131 10.744 15.333 5.388 1.00 0.00 C ATOM 1665 C VAL A 131 9.424 15.915 5.944 1.00 0.00 C ATOM 1666 O VAL A 131 9.388 17.057 6.404 1.00 0.00 O ATOM 1667 CB VAL A 131 10.938 15.436 3.854 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.590 16.771 3.207 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.407 15.149 3.489 1.00 0.00 C ATOM 0 H VAL A 131 10.833 13.308 4.901 1.00 0.00 H new ATOM 0 HA VAL A 131 11.518 15.944 5.853 1.00 0.00 H new ATOM 0 HB VAL A 131 10.231 14.702 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 131 10.769 16.713 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.540 17.000 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.212 17.557 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.535 15.223 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.053 15.876 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.674 14.145 3.818 1.00 0.00 H new ATOM 1679 N ARG A 132 8.338 15.131 5.990 1.00 0.00 N ATOM 1680 CA ARG A 132 7.091 15.513 6.657 1.00 0.00 C ATOM 1681 C ARG A 132 7.273 15.632 8.166 1.00 0.00 C ATOM 1682 O ARG A 132 6.762 16.563 8.787 1.00 0.00 O ATOM 1683 CB ARG A 132 5.975 14.516 6.300 1.00 0.00 C ATOM 1684 CG ARG A 132 4.563 15.079 6.532 1.00 0.00 C ATOM 1685 CD ARG A 132 3.676 14.139 7.357 1.00 0.00 C ATOM 1686 NE ARG A 132 3.516 12.782 6.791 1.00 0.00 N ATOM 1687 CZ ARG A 132 2.852 11.796 7.416 1.00 0.00 C ATOM 1688 NH1 ARG A 132 2.193 12.040 8.545 1.00 0.00 N ATOM 1689 NH2 ARG A 132 2.830 10.573 6.902 1.00 0.00 N ATOM 0 H ARG A 132 8.303 14.206 5.561 1.00 0.00 H new ATOM 0 HA ARG A 132 6.800 16.500 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.076 14.226 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.101 13.611 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.639 16.039 7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.089 15.266 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.096 14.052 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.690 14.592 7.463 1.00 0.00 H new ATOM 0 HE ARG A 132 3.931 12.585 5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.190 12.980 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.691 11.287 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.319 10.378 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.324 9.828 7.381 1.00 0.00 H new ATOM 1703 N GLU A 133 7.991 14.691 8.764 1.00 0.00 N ATOM 1704 CA GLU A 133 8.271 14.651 10.197 1.00 0.00 C ATOM 1705 C GLU A 133 9.303 15.723 10.593 1.00 0.00 C ATOM 1706 O GLU A 133 9.401 16.084 11.766 1.00 0.00 O ATOM 1707 CB GLU A 133 8.611 13.214 10.639 1.00 0.00 C ATOM 1708 CG GLU A 133 10.042 12.944 11.104 1.00 0.00 C ATOM 1709 CD GLU A 133 10.297 11.444 11.268 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.692 10.793 12.152 1.00 0.00 O ATOM 1711 OE2 GLU A 133 11.144 10.900 10.527 1.00 0.00 O ATOM 0 H GLU A 133 8.407 13.912 8.254 1.00 0.00 H new ATOM 0 HA GLU A 133 7.375 14.918 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.936 12.942 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.395 12.545 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.746 13.358 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.221 13.452 12.052 1.00 0.00 H new ATOM 1718 N MET A 134 10.041 16.271 9.626 1.00 0.00 N ATOM 1719 CA MET A 134 10.909 17.440 9.734 1.00 0.00 C ATOM 1720 C MET A 134 10.174 18.726 9.316 1.00 0.00 C ATOM 1721 O MET A 134 10.788 19.795 9.269 1.00 0.00 O ATOM 1722 CB MET A 134 12.182 17.218 8.901 1.00 0.00 C ATOM 1723 CG MET A 134 13.087 16.156 9.537 1.00 0.00 C ATOM 1724 SD MET A 134 14.711 15.995 8.750 1.00 0.00 S ATOM 1725 CE MET A 134 15.453 14.787 9.877 1.00 0.00 C ATOM 0 H MET A 134 10.047 15.882 8.683 1.00 0.00 H new ATOM 0 HA MET A 134 11.196 17.569 10.778 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.909 16.909 7.892 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.728 18.157 8.810 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.229 16.399 10.590 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.580 15.192 9.498 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.468 14.560 9.550 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.480 15.199 10.886 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.858 13.874 9.874 1.00 0.00 H new ATOM 1735 N ILE A 135 8.859 18.649 9.093 1.00 0.00 N ATOM 1736 CA ILE A 135 7.923 19.732 8.823 1.00 0.00 C ATOM 1737 C ILE A 135 8.483 20.678 7.747 1.00 0.00 C ATOM 1738 O ILE A 135 8.564 21.895 7.941 1.00 0.00 O ATOM 1739 CB ILE A 135 7.481 20.418 10.144 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.391 19.491 11.385 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.110 21.092 9.946 1.00 0.00 C ATOM 1742 CD1 ILE A 135 8.619 19.599 12.297 1.00 0.00 C ATOM 0 H ILE A 135 8.386 17.745 9.098 1.00 0.00 H new ATOM 0 HA ILE A 135 7.004 19.333 8.394 1.00 0.00 H new ATOM 0 HB ILE A 135 8.273 21.136 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.497 19.741 11.956 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.279 18.458 11.054 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.803 21.572 10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 135 6.183 21.841 9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 135 5.372 20.340 9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 135 8.500 18.928 13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 135 9.513 19.321 11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 135 8.718 20.624 12.654 1.00 0.00 H new ATOM 1754 N SER A 136 8.904 20.095 6.622 1.00 0.00 N ATOM 1755 CA SER A 136 9.622 20.725 5.520 1.00 0.00 C ATOM 1756 C SER A 136 9.035 22.054 5.095 1.00 0.00 C ATOM 1757 O SER A 136 9.769 23.057 5.073 1.00 0.00 O ATOM 1758 CB SER A 136 9.639 19.745 4.356 1.00 0.00 C ATOM 1759 OG SER A 136 8.301 19.442 3.981 1.00 0.00 O ATOM 1760 OXT SER A 136 7.847 22.060 4.699 1.00 0.00 O ATOM 0 H SER A 136 8.739 19.103 6.449 1.00 0.00 H new ATOM 0 HA SER A 136 10.633 20.955 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.178 20.174 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.165 18.834 4.640 1.00 0.00 H new ATOM 0 HG SER A 136 7.735 20.229 4.126 1.00 0.00 H new TER 1766 SER A 136