USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 92 ASN : amide:sc= -0.59 K(o=-0.62,f=0.45) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0333 K(o=-0.62,f=-0.04) USER MOD Single : A 30 SER OG : rot 140:sc= 0.0113 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 147:sc= 0.42 USER MOD Single : A 44 GLN : amide:sc= 0.735 K(o=0.73,f=-0.0097) USER MOD Single : A 46 SER OG : rot 61:sc= 1.3 USER MOD Single : A 49 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0052) USER MOD Single : A 58 MET CE :methyl -171:sc= -2.13 (180deg=-2.55) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 1.38 (180deg=1.23) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= 1.25 (180deg=-0.0859) USER MOD Single : A 65 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD Single : A 77 SER OG : rot -72:sc= 0.514 USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.463) USER MOD Single : A 86 HIS : no HE2:sc= 0.602 K(o=0.6,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0.908 (180deg=0.699) USER MOD Single : A 89 SER OG : rot 49:sc= 0.0577 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -4:sc= 0.168 USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= 1.19 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 28 7.317 14.157 11.947 1.00 0.00 N ATOM 2 CA GLU A 28 6.942 14.010 10.514 1.00 0.00 C ATOM 3 C GLU A 28 7.019 12.547 10.050 1.00 0.00 C ATOM 4 O GLU A 28 7.494 11.678 10.781 1.00 0.00 O ATOM 5 CB GLU A 28 7.741 14.959 9.592 1.00 0.00 C ATOM 6 CG GLU A 28 9.231 14.635 9.365 1.00 0.00 C ATOM 7 CD GLU A 28 10.114 15.041 10.557 1.00 0.00 C ATOM 8 OE1 GLU A 28 10.071 14.343 11.604 1.00 0.00 O ATOM 9 OE2 GLU A 28 10.832 16.066 10.474 1.00 0.00 O ATOM 0 HA GLU A 28 5.899 14.315 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.248 14.979 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.674 15.966 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.343 13.566 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.578 15.149 8.469 1.00 0.00 H new ATOM 16 N LEU A 29 6.533 12.273 8.833 1.00 0.00 N ATOM 17 CA LEU A 29 6.456 10.949 8.197 1.00 0.00 C ATOM 18 C LEU A 29 6.584 11.104 6.667 1.00 0.00 C ATOM 19 O LEU A 29 6.608 12.221 6.141 1.00 0.00 O ATOM 20 CB LEU A 29 5.100 10.301 8.597 1.00 0.00 C ATOM 21 CG LEU A 29 5.127 8.856 9.139 1.00 0.00 C ATOM 22 CD1 LEU A 29 5.761 7.852 8.183 1.00 0.00 C ATOM 23 CD2 LEU A 29 5.864 8.737 10.468 1.00 0.00 C ATOM 0 H LEU A 29 6.162 13.009 8.231 1.00 0.00 H new ATOM 0 HA LEU A 29 7.269 10.304 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.636 10.934 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.449 10.319 7.723 1.00 0.00 H new ATOM 0 HG LEU A 29 4.071 8.617 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.743 6.860 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.201 7.836 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.793 8.141 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.850 7.699 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.896 9.064 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.373 9.363 11.214 1.00 0.00 H new ATOM 35 N SER A 30 6.608 9.994 5.923 1.00 0.00 N ATOM 36 CA SER A 30 6.512 9.980 4.445 1.00 0.00 C ATOM 37 C SER A 30 5.090 10.283 3.910 1.00 0.00 C ATOM 38 O SER A 30 4.903 10.401 2.701 1.00 0.00 O ATOM 39 CB SER A 30 7.012 8.633 3.902 1.00 0.00 C ATOM 40 OG SER A 30 8.276 8.288 4.450 1.00 0.00 O ATOM 0 H SER A 30 6.696 9.062 6.328 1.00 0.00 H new ATOM 0 HA SER A 30 7.147 10.789 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.287 7.853 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.086 8.682 2.816 1.00 0.00 H new ATOM 0 HG SER A 30 8.295 7.329 4.649 1.00 0.00 H new ATOM 46 N ASN A 31 4.101 10.424 4.805 1.00 0.00 N ATOM 47 CA ASN A 31 2.675 10.811 4.676 1.00 0.00 C ATOM 48 C ASN A 31 1.791 10.191 3.568 1.00 0.00 C ATOM 49 O ASN A 31 0.602 10.513 3.520 1.00 0.00 O ATOM 50 CB ASN A 31 2.510 12.342 4.610 1.00 0.00 C ATOM 51 CG ASN A 31 3.504 13.148 5.417 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.620 13.015 6.630 1.00 0.00 O ATOM 53 ND2 ASN A 31 4.240 14.016 4.768 1.00 0.00 N ATOM 0 H ASN A 31 4.310 10.243 5.787 1.00 0.00 H new ATOM 0 HA ASN A 31 2.290 10.360 5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.582 12.651 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.505 12.595 4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.917 14.589 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.136 14.119 3.759 1.00 0.00 H new ATOM 60 N THR A 32 2.295 9.332 2.674 1.00 0.00 N ATOM 61 CA THR A 32 1.553 8.969 1.445 1.00 0.00 C ATOM 62 C THR A 32 1.732 7.515 0.989 1.00 0.00 C ATOM 63 O THR A 32 1.595 7.237 -0.194 1.00 0.00 O ATOM 64 CB THR A 32 1.951 9.926 0.293 1.00 0.00 C ATOM 65 OG1 THR A 32 3.254 9.648 -0.165 1.00 0.00 O ATOM 66 CG2 THR A 32 1.962 11.414 0.664 1.00 0.00 C ATOM 0 H THR A 32 3.202 8.876 2.770 1.00 0.00 H new ATOM 0 HA THR A 32 0.498 9.071 1.699 1.00 0.00 H new ATOM 0 HB THR A 32 1.182 9.749 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.307 9.824 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.252 12.004 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.967 11.715 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.675 11.583 1.471 1.00 0.00 H new ATOM 74 N ARG A 33 2.019 6.560 1.894 1.00 0.00 N ATOM 75 CA ARG A 33 2.517 5.228 1.494 1.00 0.00 C ATOM 76 C ARG A 33 1.857 4.029 2.148 1.00 0.00 C ATOM 77 O ARG A 33 1.774 3.876 3.363 1.00 0.00 O ATOM 78 CB ARG A 33 3.999 5.102 1.812 1.00 0.00 C ATOM 79 CG ARG A 33 4.948 5.790 0.863 1.00 0.00 C ATOM 80 CD ARG A 33 6.402 5.785 1.344 1.00 0.00 C ATOM 81 NE ARG A 33 7.295 6.103 0.216 1.00 0.00 N ATOM 82 CZ ARG A 33 8.432 5.524 -0.111 1.00 0.00 C ATOM 83 NH1 ARG A 33 9.088 4.742 0.683 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.929 5.748 -1.282 1.00 0.00 N ATOM 0 H ARG A 33 1.916 6.684 2.901 1.00 0.00 H new ATOM 0 HA ARG A 33 2.281 5.195 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.169 5.499 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.253 4.043 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.894 5.302 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.624 6.821 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.534 6.515 2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.656 4.809 1.758 1.00 0.00 H new ATOM 0 HE ARG A 33 6.995 6.868 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.729 4.546 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.965 4.321 0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.442 6.363 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.809 5.310 -1.555 1.00 0.00 H new ATOM 98 N LEU A 34 1.504 3.085 1.299 1.00 0.00 N ATOM 99 CA LEU A 34 0.678 1.966 1.676 1.00 0.00 C ATOM 100 C LEU A 34 1.517 0.687 1.712 1.00 0.00 C ATOM 101 O LEU A 34 1.912 0.150 0.679 1.00 0.00 O ATOM 102 CB LEU A 34 -0.540 1.902 0.751 1.00 0.00 C ATOM 103 CG LEU A 34 -1.280 3.212 0.342 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.419 4.297 1.419 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.697 3.829 -0.921 1.00 0.00 C ATOM 0 H LEU A 34 1.788 3.077 0.319 1.00 0.00 H new ATOM 0 HA LEU A 34 0.287 2.087 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.223 1.409 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.274 1.251 1.226 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.294 2.853 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.952 5.154 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.975 3.898 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.429 4.610 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.244 4.739 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.353 4.070 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.782 3.120 -1.745 1.00 0.00 H new ATOM 117 N PHE A 35 1.797 0.239 2.932 1.00 0.00 N ATOM 118 CA PHE A 35 2.739 -0.812 3.294 1.00 0.00 C ATOM 119 C PHE A 35 1.918 -2.080 3.507 1.00 0.00 C ATOM 120 O PHE A 35 1.253 -2.340 4.506 1.00 0.00 O ATOM 121 CB PHE A 35 3.626 -0.300 4.431 1.00 0.00 C ATOM 122 CG PHE A 35 4.699 -1.220 5.003 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.048 -2.446 4.392 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.437 -0.779 6.119 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.125 -3.205 4.884 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.513 -1.542 6.611 1.00 0.00 C ATOM 127 CZ PHE A 35 6.859 -2.754 5.991 1.00 0.00 C ATOM 0 H PHE A 35 1.337 0.631 3.753 1.00 0.00 H new ATOM 0 HA PHE A 35 3.468 -1.083 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.122 0.605 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.972 -0.007 5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.484 -2.802 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.175 0.151 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.388 -4.138 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.073 -1.195 7.467 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.688 -3.337 6.365 1.00 0.00 H new ATOM 137 N VAL A 36 1.912 -2.834 2.427 1.00 0.00 N ATOM 138 CA VAL A 36 0.945 -3.864 2.092 1.00 0.00 C ATOM 139 C VAL A 36 1.698 -5.174 1.902 1.00 0.00 C ATOM 140 O VAL A 36 2.300 -5.446 0.865 1.00 0.00 O ATOM 141 CB VAL A 36 0.243 -3.240 0.872 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.595 -4.064 -0.060 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.697 -2.109 1.338 1.00 0.00 C ATOM 0 H VAL A 36 2.631 -2.738 1.710 1.00 0.00 H new ATOM 0 HA VAL A 36 0.189 -4.137 2.828 1.00 0.00 H new ATOM 0 HB VAL A 36 1.122 -2.967 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.995 -3.427 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.018 -4.849 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.418 -4.516 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.193 -1.669 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.446 -2.515 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.117 -1.343 1.853 1.00 0.00 H new ATOM 153 N ARG A 37 1.711 -5.959 2.982 1.00 0.00 N ATOM 154 CA ARG A 37 2.587 -7.133 3.176 1.00 0.00 C ATOM 155 C ARG A 37 1.982 -8.472 3.686 1.00 0.00 C ATOM 156 O ARG A 37 2.770 -9.327 4.099 1.00 0.00 O ATOM 157 CB ARG A 37 3.763 -6.658 4.053 1.00 0.00 C ATOM 158 CG ARG A 37 3.310 -6.148 5.440 1.00 0.00 C ATOM 159 CD ARG A 37 4.449 -6.110 6.463 1.00 0.00 C ATOM 160 NE ARG A 37 3.952 -5.693 7.785 1.00 0.00 N ATOM 161 CZ ARG A 37 3.742 -4.458 8.212 1.00 0.00 C ATOM 162 NH1 ARG A 37 4.018 -3.405 7.507 1.00 0.00 N ATOM 163 NH2 ARG A 37 3.236 -4.212 9.379 1.00 0.00 N ATOM 0 H ARG A 37 1.093 -5.795 3.777 1.00 0.00 H new ATOM 0 HA ARG A 37 2.874 -7.450 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.466 -7.480 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.298 -5.862 3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.890 -5.148 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.513 -6.790 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.910 -7.095 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.223 -5.420 6.126 1.00 0.00 H new ATOM 0 HE ARG A 37 3.746 -6.441 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.417 -3.506 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.836 -2.476 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.987 -4.982 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.087 -3.248 9.677 1.00 0.00 H new ATOM 177 N PRO A 38 0.653 -8.735 3.704 1.00 0.00 N ATOM 178 CA PRO A 38 0.124 -10.030 4.150 1.00 0.00 C ATOM 179 C PRO A 38 0.431 -11.188 3.198 1.00 0.00 C ATOM 180 O PRO A 38 0.634 -12.320 3.642 1.00 0.00 O ATOM 181 CB PRO A 38 -1.391 -9.848 4.217 1.00 0.00 C ATOM 182 CG PRO A 38 -1.682 -8.773 3.200 1.00 0.00 C ATOM 183 CD PRO A 38 -0.460 -7.868 3.352 1.00 0.00 C ATOM 0 HA PRO A 38 0.588 -10.293 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.914 -10.774 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.712 -9.549 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.770 -9.176 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.612 -8.246 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.256 -7.332 2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.627 -7.117 4.124 1.00 0.00 H new ATOM 191 N PHE A 39 0.409 -10.894 1.904 1.00 0.00 N ATOM 192 CA PHE A 39 0.537 -11.836 0.795 1.00 0.00 C ATOM 193 C PHE A 39 1.962 -12.390 0.668 1.00 0.00 C ATOM 194 O PHE A 39 2.924 -11.688 0.993 1.00 0.00 O ATOM 195 CB PHE A 39 0.210 -11.140 -0.544 1.00 0.00 C ATOM 196 CG PHE A 39 -0.514 -9.806 -0.481 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.194 -8.652 -0.099 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.865 -9.693 -0.872 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.459 -7.419 -0.067 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.490 -8.435 -0.899 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.793 -7.296 -0.483 1.00 0.00 C ATOM 0 H PHE A 39 0.294 -9.934 1.579 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.159 -12.648 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.146 -10.990 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.395 -11.824 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.238 -8.720 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.420 -10.576 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.071 -6.546 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.510 -8.347 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.277 -6.331 -0.482 1.00 0.00 H new ATOM 211 N PRO A 40 2.129 -13.608 0.128 1.00 0.00 N ATOM 212 CA PRO A 40 3.427 -14.071 -0.340 1.00 0.00 C ATOM 213 C PRO A 40 3.772 -13.402 -1.691 1.00 0.00 C ATOM 214 O PRO A 40 3.237 -12.344 -2.030 1.00 0.00 O ATOM 215 CB PRO A 40 3.317 -15.607 -0.409 1.00 0.00 C ATOM 216 CG PRO A 40 1.956 -15.955 0.186 1.00 0.00 C ATOM 217 CD PRO A 40 1.145 -14.673 0.040 1.00 0.00 C ATOM 0 HA PRO A 40 4.249 -13.798 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.395 -15.959 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.122 -16.082 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.489 -16.784 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.043 -16.255 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.614 -14.645 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.395 -14.586 0.826 1.00 0.00 H new ATOM 225 N LEU A 41 4.651 -14.015 -2.489 1.00 0.00 N ATOM 226 CA LEU A 41 5.048 -13.563 -3.840 1.00 0.00 C ATOM 227 C LEU A 41 3.871 -13.316 -4.820 1.00 0.00 C ATOM 228 O LEU A 41 4.071 -12.732 -5.884 1.00 0.00 O ATOM 229 CB LEU A 41 6.025 -14.589 -4.457 1.00 0.00 C ATOM 230 CG LEU A 41 7.386 -14.852 -3.779 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.133 -13.558 -3.467 1.00 0.00 C ATOM 232 CD2 LEU A 41 7.299 -15.680 -2.489 1.00 0.00 C ATOM 0 H LEU A 41 5.127 -14.872 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 41 5.521 -12.591 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.501 -15.543 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.227 -14.272 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 41 7.934 -15.437 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.085 -13.793 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.315 -13.011 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.533 -12.944 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.299 -15.818 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.677 -15.157 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.860 -16.653 -2.710 1.00 0.00 H new ATOM 244 N ASP A 42 2.656 -13.763 -4.481 1.00 0.00 N ATOM 245 CA ASP A 42 1.435 -13.661 -5.290 1.00 0.00 C ATOM 246 C ASP A 42 0.988 -12.224 -5.634 1.00 0.00 C ATOM 247 O ASP A 42 0.394 -12.024 -6.699 1.00 0.00 O ATOM 248 CB ASP A 42 0.288 -14.373 -4.560 1.00 0.00 C ATOM 249 CG ASP A 42 0.582 -15.860 -4.299 1.00 0.00 C ATOM 250 OD1 ASP A 42 1.293 -16.168 -3.309 1.00 0.00 O ATOM 251 OD2 ASP A 42 0.096 -16.721 -5.070 1.00 0.00 O ATOM 0 H ASP A 42 2.489 -14.230 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 42 1.678 -14.132 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.101 -13.872 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.623 -14.286 -5.152 1.00 0.00 H new ATOM 256 N VAL A 43 1.240 -11.222 -4.773 1.00 0.00 N ATOM 257 CA VAL A 43 0.836 -9.824 -5.050 1.00 0.00 C ATOM 258 C VAL A 43 1.755 -9.155 -6.070 1.00 0.00 C ATOM 259 O VAL A 43 2.978 -9.279 -5.998 1.00 0.00 O ATOM 260 CB VAL A 43 0.712 -8.978 -3.766 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.044 -8.736 -3.043 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.044 -7.621 -4.046 1.00 0.00 C ATOM 0 H VAL A 43 1.719 -11.349 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.160 -9.878 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 43 0.086 -9.577 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.870 -8.134 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.481 -9.692 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.729 -8.210 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.027 -7.052 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.640 -7.064 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.956 -7.784 -4.449 1.00 0.00 H new ATOM 272 N GLN A 44 1.169 -8.423 -7.020 1.00 0.00 N ATOM 273 CA GLN A 44 1.870 -7.699 -8.082 1.00 0.00 C ATOM 274 C GLN A 44 1.178 -6.346 -8.321 1.00 0.00 C ATOM 275 O GLN A 44 0.080 -6.084 -7.822 1.00 0.00 O ATOM 276 CB GLN A 44 1.903 -8.487 -9.424 1.00 0.00 C ATOM 277 CG GLN A 44 1.831 -10.028 -9.436 1.00 0.00 C ATOM 278 CD GLN A 44 3.177 -10.743 -9.333 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.664 -11.342 -10.286 1.00 0.00 O ATOM 280 NE2 GLN A 44 3.824 -10.742 -8.194 1.00 0.00 N ATOM 0 H GLN A 44 0.156 -8.314 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 44 2.899 -7.561 -7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.073 -8.123 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.822 -8.205 -9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.201 -10.353 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.338 -10.346 -10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.437 -10.250 -7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.714 -11.233 -8.113 1.00 0.00 H new ATOM 289 N GLU A 45 1.787 -5.500 -9.154 1.00 0.00 N ATOM 290 CA GLU A 45 1.213 -4.218 -9.585 1.00 0.00 C ATOM 291 C GLU A 45 -0.199 -4.357 -10.185 1.00 0.00 C ATOM 292 O GLU A 45 -1.013 -3.463 -9.987 1.00 0.00 O ATOM 293 CB GLU A 45 2.223 -3.548 -10.538 1.00 0.00 C ATOM 294 CG GLU A 45 1.881 -2.113 -10.988 1.00 0.00 C ATOM 295 CD GLU A 45 1.057 -1.987 -12.285 1.00 0.00 C ATOM 296 OE1 GLU A 45 0.792 -2.999 -12.977 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.688 -0.840 -12.644 1.00 0.00 O ATOM 0 H GLU A 45 2.706 -5.686 -9.555 1.00 0.00 H new ATOM 0 HA GLU A 45 1.056 -3.577 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.197 -3.531 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.323 -4.172 -11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.332 -1.623 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.813 -1.563 -11.119 1.00 0.00 H new ATOM 304 N SER A 46 -0.549 -5.486 -10.813 1.00 0.00 N ATOM 305 CA SER A 46 -1.911 -5.803 -11.292 1.00 0.00 C ATOM 306 C SER A 46 -2.952 -6.018 -10.176 1.00 0.00 C ATOM 307 O SER A 46 -4.120 -5.642 -10.314 1.00 0.00 O ATOM 308 CB SER A 46 -1.879 -7.040 -12.207 1.00 0.00 C ATOM 309 OG SER A 46 -0.886 -7.990 -11.843 1.00 0.00 O ATOM 0 H SER A 46 0.122 -6.229 -11.010 1.00 0.00 H new ATOM 0 HA SER A 46 -2.234 -4.919 -11.842 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.856 -7.522 -12.187 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.703 -6.718 -13.234 1.00 0.00 H new ATOM 0 HG SER A 46 -1.063 -8.317 -10.936 1.00 0.00 H new ATOM 315 N GLU A 47 -2.557 -6.576 -9.031 1.00 0.00 N ATOM 316 CA GLU A 47 -3.430 -6.904 -7.909 1.00 0.00 C ATOM 317 C GLU A 47 -3.635 -5.643 -7.078 1.00 0.00 C ATOM 318 O GLU A 47 -4.741 -5.314 -6.656 1.00 0.00 O ATOM 319 CB GLU A 47 -2.715 -7.989 -7.094 1.00 0.00 C ATOM 320 CG GLU A 47 -2.947 -9.405 -7.636 1.00 0.00 C ATOM 321 CD GLU A 47 -2.551 -9.609 -9.110 1.00 0.00 C ATOM 322 OE1 GLU A 47 -1.410 -9.264 -9.498 1.00 0.00 O ATOM 323 OE2 GLU A 47 -3.386 -10.125 -9.895 1.00 0.00 O ATOM 0 H GLU A 47 -1.582 -6.820 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.406 -7.266 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.645 -7.781 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.057 -7.942 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.384 -10.109 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.002 -9.654 -7.521 1.00 0.00 H new ATOM 330 N LEU A 48 -2.561 -4.871 -6.948 1.00 0.00 N ATOM 331 CA LEU A 48 -2.589 -3.532 -6.408 1.00 0.00 C ATOM 332 C LEU A 48 -3.413 -2.614 -7.331 1.00 0.00 C ATOM 333 O LEU A 48 -4.180 -1.795 -6.846 1.00 0.00 O ATOM 334 CB LEU A 48 -1.130 -3.099 -6.247 1.00 0.00 C ATOM 335 CG LEU A 48 -0.297 -4.009 -5.323 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.182 -3.908 -5.605 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.416 -3.592 -3.882 1.00 0.00 C ATOM 0 H LEU A 48 -1.627 -5.174 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.079 -3.478 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.661 -3.072 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.106 -2.082 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.684 -5.011 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.727 -4.567 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.377 -4.204 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.512 -2.880 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.184 -4.256 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.060 -2.568 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.459 -3.649 -3.572 1.00 0.00 H new ATOM 349 N ASN A 49 -3.371 -2.794 -8.655 1.00 0.00 N ATOM 350 CA ASN A 49 -4.304 -2.094 -9.568 1.00 0.00 C ATOM 351 C ASN A 49 -5.775 -2.428 -9.263 1.00 0.00 C ATOM 352 O ASN A 49 -6.601 -1.519 -9.168 1.00 0.00 O ATOM 353 CB ASN A 49 -3.981 -2.348 -11.051 1.00 0.00 C ATOM 354 CG ASN A 49 -3.139 -1.246 -11.672 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.600 -0.448 -12.474 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.881 -1.184 -11.319 1.00 0.00 N ATOM 0 H ASN A 49 -2.709 -3.412 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.159 -1.030 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.454 -3.297 -11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.912 -2.444 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.275 -0.465 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.506 -1.855 -10.649 1.00 0.00 H new ATOM 363 N GLU A 50 -6.104 -3.705 -9.054 1.00 0.00 N ATOM 364 CA GLU A 50 -7.458 -4.128 -8.660 1.00 0.00 C ATOM 365 C GLU A 50 -7.920 -3.559 -7.298 1.00 0.00 C ATOM 366 O GLU A 50 -9.101 -3.245 -7.131 1.00 0.00 O ATOM 367 CB GLU A 50 -7.518 -5.661 -8.623 1.00 0.00 C ATOM 368 CG GLU A 50 -7.766 -6.287 -10.004 1.00 0.00 C ATOM 369 CD GLU A 50 -9.197 -6.025 -10.514 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.138 -6.744 -10.099 1.00 0.00 O ATOM 371 OE2 GLU A 50 -9.392 -5.107 -11.352 1.00 0.00 O ATOM 0 H GLU A 50 -5.444 -4.476 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.141 -3.725 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.582 -6.046 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.311 -5.972 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.048 -5.883 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.592 -7.362 -9.950 1.00 0.00 H new ATOM 378 N ILE A 51 -7.004 -3.413 -6.333 1.00 0.00 N ATOM 379 CA ILE A 51 -7.315 -3.038 -4.941 1.00 0.00 C ATOM 380 C ILE A 51 -7.237 -1.516 -4.705 1.00 0.00 C ATOM 381 O ILE A 51 -7.996 -0.993 -3.896 1.00 0.00 O ATOM 382 CB ILE A 51 -6.351 -3.810 -4.013 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.638 -5.332 -4.048 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.385 -3.312 -2.558 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.508 -6.194 -3.460 1.00 0.00 C ATOM 0 H ILE A 51 -6.007 -3.554 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.347 -3.309 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.351 -3.619 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.557 -5.531 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.813 -5.635 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.686 -3.895 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.101 -2.260 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.392 -3.428 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.784 -7.247 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.591 -6.026 -4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.347 -5.921 -2.417 1.00 0.00 H new ATOM 397 N PHE A 52 -6.362 -0.801 -5.426 1.00 0.00 N ATOM 398 CA PHE A 52 -6.046 0.626 -5.219 1.00 0.00 C ATOM 399 C PHE A 52 -6.603 1.539 -6.320 1.00 0.00 C ATOM 400 O PHE A 52 -6.763 2.744 -6.107 1.00 0.00 O ATOM 401 CB PHE A 52 -4.548 0.868 -5.076 1.00 0.00 C ATOM 402 CG PHE A 52 -3.905 0.254 -3.859 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.780 -1.142 -3.768 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.367 1.073 -2.849 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.053 -1.726 -2.730 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.581 0.485 -1.855 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.378 -0.900 -1.834 1.00 0.00 C ATOM 0 H PHE A 52 -5.835 -1.211 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.543 0.887 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.049 0.480 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.372 1.943 -5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.252 -1.770 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.558 2.136 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.014 -2.800 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.126 1.104 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.694 -1.331 -1.118 1.00 0.00 H new ATOM 417 N GLY A 53 -6.952 0.972 -7.474 1.00 0.00 N ATOM 418 CA GLY A 53 -7.728 1.646 -8.520 1.00 0.00 C ATOM 419 C GLY A 53 -9.028 2.315 -8.021 1.00 0.00 C ATOM 420 O GLY A 53 -9.355 3.383 -8.549 1.00 0.00 O ATOM 0 H GLY A 53 -6.700 0.013 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.101 2.404 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.981 0.920 -9.292 1.00 0.00 H new ATOM 424 N PRO A 54 -9.758 1.789 -7.006 1.00 0.00 N ATOM 425 CA PRO A 54 -10.895 2.497 -6.401 1.00 0.00 C ATOM 426 C PRO A 54 -10.524 3.835 -5.736 1.00 0.00 C ATOM 427 O PRO A 54 -11.363 4.735 -5.658 1.00 0.00 O ATOM 428 CB PRO A 54 -11.501 1.529 -5.374 1.00 0.00 C ATOM 429 CG PRO A 54 -10.988 0.157 -5.808 1.00 0.00 C ATOM 430 CD PRO A 54 -9.600 0.507 -6.323 1.00 0.00 C ATOM 0 HA PRO A 54 -11.600 2.773 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.182 1.772 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.590 1.569 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.953 -0.550 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.613 -0.290 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.884 0.582 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.228 -0.259 -7.004 1.00 0.00 H new ATOM 438 N PHE A 55 -9.284 3.984 -5.241 1.00 0.00 N ATOM 439 CA PHE A 55 -8.795 5.203 -4.583 1.00 0.00 C ATOM 440 C PHE A 55 -8.358 6.216 -5.631 1.00 0.00 C ATOM 441 O PHE A 55 -8.796 7.368 -5.604 1.00 0.00 O ATOM 442 CB PHE A 55 -7.606 4.888 -3.658 1.00 0.00 C ATOM 443 CG PHE A 55 -7.716 3.624 -2.835 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.975 3.161 -2.416 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.567 2.848 -2.596 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.094 1.911 -1.794 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.678 1.643 -1.871 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.946 1.167 -1.495 1.00 0.00 C ATOM 0 H PHE A 55 -8.582 3.246 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.607 5.615 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.705 4.822 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.469 5.729 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.853 3.770 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.606 3.173 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.070 1.522 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.791 1.087 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.035 0.225 -0.974 1.00 0.00 H new ATOM 458 N GLY A 56 -7.503 5.768 -6.554 1.00 0.00 N ATOM 459 CA GLY A 56 -7.181 6.492 -7.776 1.00 0.00 C ATOM 460 C GLY A 56 -5.699 6.787 -8.051 1.00 0.00 C ATOM 461 O GLY A 56 -5.107 6.123 -8.907 1.00 0.00 O ATOM 0 H GLY A 56 -7.011 4.879 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.573 5.923 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.716 7.442 -7.756 1.00 0.00 H new ATOM 465 N PRO A 57 -5.074 7.760 -7.354 1.00 0.00 N ATOM 466 CA PRO A 57 -3.760 8.321 -7.704 1.00 0.00 C ATOM 467 C PRO A 57 -2.534 7.465 -7.320 1.00 0.00 C ATOM 468 O PRO A 57 -1.486 8.026 -7.002 1.00 0.00 O ATOM 469 CB PRO A 57 -3.761 9.717 -7.053 1.00 0.00 C ATOM 470 CG PRO A 57 -4.576 9.491 -5.790 1.00 0.00 C ATOM 471 CD PRO A 57 -5.663 8.530 -6.267 1.00 0.00 C ATOM 0 HA PRO A 57 -3.641 8.356 -8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.751 10.061 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.216 10.466 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.974 9.059 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.996 10.421 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.987 7.876 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.543 9.075 -6.608 1.00 0.00 H new ATOM 479 N MET A 58 -2.635 6.126 -7.329 1.00 0.00 N ATOM 480 CA MET A 58 -1.502 5.179 -7.224 1.00 0.00 C ATOM 481 C MET A 58 -0.352 5.572 -8.168 1.00 0.00 C ATOM 482 O MET A 58 -0.382 5.331 -9.374 1.00 0.00 O ATOM 483 CB MET A 58 -1.961 3.734 -7.427 1.00 0.00 C ATOM 484 CG MET A 58 -2.853 3.495 -8.650 1.00 0.00 C ATOM 485 SD MET A 58 -2.442 1.975 -9.548 1.00 0.00 S ATOM 486 CE MET A 58 -2.674 0.794 -8.199 1.00 0.00 C ATOM 0 H MET A 58 -3.535 5.653 -7.412 1.00 0.00 H new ATOM 0 HA MET A 58 -1.107 5.241 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.079 3.099 -7.511 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.501 3.413 -6.536 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.894 3.450 -8.329 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.765 4.344 -9.327 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.314 -0.187 -8.508 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.115 1.126 -7.324 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.733 0.730 -7.950 1.00 0.00 H new ATOM 496 N LYS A 59 0.657 6.220 -7.584 1.00 0.00 N ATOM 497 CA LYS A 59 1.746 6.927 -8.264 1.00 0.00 C ATOM 498 C LYS A 59 3.088 6.211 -8.118 1.00 0.00 C ATOM 499 O LYS A 59 3.944 6.335 -8.995 1.00 0.00 O ATOM 500 CB LYS A 59 1.665 8.345 -7.693 1.00 0.00 C ATOM 501 CG LYS A 59 2.785 9.326 -7.973 1.00 0.00 C ATOM 502 CD LYS A 59 3.986 9.252 -7.036 1.00 0.00 C ATOM 503 CE LYS A 59 3.602 9.407 -5.566 1.00 0.00 C ATOM 504 NZ LYS A 59 4.699 9.981 -4.752 1.00 0.00 N ATOM 0 H LYS A 59 0.742 6.269 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 59 1.650 6.956 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.740 8.792 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.571 8.257 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.134 9.167 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.377 10.336 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.491 8.296 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.699 10.032 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.723 10.047 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.324 8.434 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.340 10.224 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.466 9.284 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.063 10.839 -5.215 1.00 0.00 H new ATOM 518 N GLU A 60 3.249 5.409 -7.065 1.00 0.00 N ATOM 519 CA GLU A 60 4.319 4.409 -6.978 1.00 0.00 C ATOM 520 C GLU A 60 3.781 3.132 -6.366 1.00 0.00 C ATOM 521 O GLU A 60 2.754 3.130 -5.695 1.00 0.00 O ATOM 522 CB GLU A 60 5.605 4.907 -6.282 1.00 0.00 C ATOM 523 CG GLU A 60 6.872 4.311 -6.923 1.00 0.00 C ATOM 524 CD GLU A 60 8.168 4.565 -6.117 1.00 0.00 C ATOM 525 OE1 GLU A 60 8.166 4.506 -4.865 1.00 0.00 O ATOM 526 OE2 GLU A 60 9.243 4.723 -6.748 1.00 0.00 O ATOM 0 H GLU A 60 2.641 5.433 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 60 4.642 4.202 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.649 5.995 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.573 4.640 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.735 3.236 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.991 4.729 -7.923 1.00 0.00 H new ATOM 533 N VAL A 61 4.446 2.034 -6.706 1.00 0.00 N ATOM 534 CA VAL A 61 4.011 0.670 -6.452 1.00 0.00 C ATOM 535 C VAL A 61 5.264 -0.195 -6.321 1.00 0.00 C ATOM 536 O VAL A 61 5.587 -0.992 -7.201 1.00 0.00 O ATOM 537 CB VAL A 61 3.050 0.167 -7.572 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.240 -1.002 -7.027 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.037 1.173 -8.139 1.00 0.00 C ATOM 0 H VAL A 61 5.344 2.075 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 61 3.436 0.613 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 61 3.720 -0.078 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.562 -1.366 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.915 -1.804 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.663 -0.673 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.435 0.689 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.387 1.526 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.569 2.019 -8.574 1.00 0.00 H new ATOM 549 N LYS A 62 6.053 0.033 -5.268 1.00 0.00 N ATOM 550 CA LYS A 62 7.279 -0.739 -5.023 1.00 0.00 C ATOM 551 C LYS A 62 6.871 -2.182 -4.727 1.00 0.00 C ATOM 552 O LYS A 62 6.123 -2.398 -3.778 1.00 0.00 O ATOM 553 CB LYS A 62 8.097 -0.156 -3.854 1.00 0.00 C ATOM 554 CG LYS A 62 8.268 1.371 -3.887 1.00 0.00 C ATOM 555 CD LYS A 62 9.238 1.853 -2.791 1.00 0.00 C ATOM 556 CE LYS A 62 10.615 2.150 -3.389 1.00 0.00 C ATOM 557 NZ LYS A 62 10.644 3.495 -4.018 1.00 0.00 N ATOM 0 H LYS A 62 5.865 0.749 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 62 7.919 -0.694 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.614 -0.434 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.084 -0.618 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.641 1.676 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.298 1.850 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.841 2.749 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.328 1.092 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.374 2.093 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.864 1.392 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.214 3.460 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.674 3.790 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.064 4.179 -3.356 1.00 0.00 H new ATOM 571 N ILE A 63 7.335 -3.148 -5.516 1.00 0.00 N ATOM 572 CA ILE A 63 7.016 -4.582 -5.350 1.00 0.00 C ATOM 573 C ILE A 63 8.280 -5.368 -4.970 1.00 0.00 C ATOM 574 O ILE A 63 9.292 -5.331 -5.673 1.00 0.00 O ATOM 575 CB ILE A 63 6.412 -5.227 -6.628 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.360 -4.417 -7.406 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.855 -6.626 -6.296 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.028 -4.171 -6.697 1.00 0.00 C ATOM 0 H ILE A 63 7.955 -2.963 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 63 6.268 -4.632 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 63 7.258 -5.271 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.794 -3.450 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.157 -4.933 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.433 -7.073 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.660 -7.258 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.078 -6.538 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.372 -3.591 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.557 -5.126 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.204 -3.620 -5.773 1.00 0.00 H new ATOM 590 N LEU A 64 8.205 -6.089 -3.853 1.00 0.00 N ATOM 591 CA LEU A 64 9.257 -6.900 -3.249 1.00 0.00 C ATOM 592 C LEU A 64 8.701 -8.288 -2.849 1.00 0.00 C ATOM 593 O LEU A 64 7.516 -8.561 -3.039 1.00 0.00 O ATOM 594 CB LEU A 64 9.805 -6.150 -2.023 1.00 0.00 C ATOM 595 CG LEU A 64 10.427 -4.753 -2.233 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.492 -3.608 -2.650 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.131 -4.378 -0.942 1.00 0.00 C ATOM 0 H LEU A 64 7.344 -6.123 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 64 10.064 -7.063 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.990 -6.046 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.560 -6.783 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 64 11.087 -4.858 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.068 -2.689 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.017 -3.854 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.726 -3.467 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.586 -3.393 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.408 -4.358 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.905 -5.114 -0.723 1.00 0.00 H new ATOM 609 N ASN A 65 9.563 -9.135 -2.274 1.00 0.00 N ATOM 610 CA ASN A 65 9.447 -10.570 -1.906 1.00 0.00 C ATOM 611 C ASN A 65 8.255 -11.005 -1.002 1.00 0.00 C ATOM 612 O ASN A 65 8.421 -11.743 -0.025 1.00 0.00 O ATOM 613 CB ASN A 65 10.755 -10.939 -1.194 1.00 0.00 C ATOM 614 CG ASN A 65 12.019 -10.582 -1.957 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.259 -11.045 -3.067 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.852 -9.723 -1.414 1.00 0.00 N ATOM 0 H ASN A 65 10.488 -8.791 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 65 9.253 -11.094 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.779 -10.439 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.756 -12.011 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.695 -9.443 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.656 -9.336 -0.491 1.00 0.00 H new ATOM 623 N GLY A 66 7.056 -10.520 -1.288 1.00 0.00 N ATOM 624 CA GLY A 66 5.866 -10.619 -0.452 1.00 0.00 C ATOM 625 C GLY A 66 5.426 -9.264 0.105 1.00 0.00 C ATOM 626 O GLY A 66 4.648 -9.212 1.064 1.00 0.00 O ATOM 0 H GLY A 66 6.876 -10.019 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.052 -11.050 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.063 -11.301 0.375 1.00 0.00 H new ATOM 630 N PHE A 67 5.937 -8.158 -0.441 1.00 0.00 N ATOM 631 CA PHE A 67 5.641 -6.810 0.044 1.00 0.00 C ATOM 632 C PHE A 67 5.349 -5.851 -1.115 1.00 0.00 C ATOM 633 O PHE A 67 5.971 -5.903 -2.169 1.00 0.00 O ATOM 634 CB PHE A 67 6.801 -6.270 0.902 1.00 0.00 C ATOM 635 CG PHE A 67 7.473 -7.234 1.870 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.411 -8.174 1.399 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.204 -7.164 3.250 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.026 -9.073 2.285 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.822 -8.059 4.142 1.00 0.00 C ATOM 640 CZ PHE A 67 8.727 -9.020 3.657 1.00 0.00 C ATOM 0 H PHE A 67 6.573 -8.174 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 67 4.747 -6.874 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.566 -5.884 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.427 -5.423 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.659 -8.203 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.519 -6.419 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.728 -9.804 1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.602 -8.008 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.192 -9.717 4.339 1.00 0.00 H new ATOM 650 N ALA A 68 4.435 -4.927 -0.876 1.00 0.00 N ATOM 651 CA ALA A 68 4.069 -3.805 -1.721 1.00 0.00 C ATOM 652 C ALA A 68 4.166 -2.537 -0.880 1.00 0.00 C ATOM 653 O ALA A 68 3.740 -2.509 0.274 1.00 0.00 O ATOM 654 CB ALA A 68 2.670 -4.033 -2.271 1.00 0.00 C ATOM 0 H ALA A 68 3.886 -4.944 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 68 4.738 -3.704 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.388 -3.194 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.654 -4.953 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.963 -4.116 -1.445 1.00 0.00 H new ATOM 660 N PHE A 69 4.721 -1.486 -1.468 1.00 0.00 N ATOM 661 CA PHE A 69 4.812 -0.165 -0.858 1.00 0.00 C ATOM 662 C PHE A 69 4.298 0.803 -1.906 1.00 0.00 C ATOM 663 O PHE A 69 5.029 1.326 -2.750 1.00 0.00 O ATOM 664 CB PHE A 69 6.209 0.205 -0.317 1.00 0.00 C ATOM 665 CG PHE A 69 6.964 -0.894 0.396 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.397 -2.013 -0.325 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.276 -0.793 1.763 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.092 -3.042 0.304 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.039 -1.805 2.381 1.00 0.00 C ATOM 670 CZ PHE A 69 8.459 -2.929 1.642 1.00 0.00 C ATOM 0 H PHE A 69 5.129 -1.528 -2.402 1.00 0.00 H new ATOM 0 HA PHE A 69 4.209 -0.132 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.818 0.553 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.099 1.045 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.189 -2.079 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.933 0.055 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.348 -3.933 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.303 -1.718 3.425 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.060 -3.695 2.109 1.00 0.00 H new ATOM 680 N VAL A 70 2.978 0.904 -1.938 1.00 0.00 N ATOM 681 CA VAL A 70 2.279 1.814 -2.840 1.00 0.00 C ATOM 682 C VAL A 70 2.472 3.235 -2.318 1.00 0.00 C ATOM 683 O VAL A 70 2.825 3.437 -1.160 1.00 0.00 O ATOM 684 CB VAL A 70 0.826 1.355 -3.056 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.212 1.792 -4.369 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.767 -0.148 -3.265 1.00 0.00 C ATOM 0 H VAL A 70 2.358 0.358 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 70 2.695 1.802 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 70 0.320 1.763 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.812 1.423 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.209 2.881 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.796 1.388 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.268 -0.454 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.356 -0.417 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.170 -0.653 -2.388 1.00 0.00 H new ATOM 696 N GLU A 71 2.294 4.235 -3.162 1.00 0.00 N ATOM 697 CA GLU A 71 2.647 5.617 -2.850 1.00 0.00 C ATOM 698 C GLU A 71 1.774 6.576 -3.653 1.00 0.00 C ATOM 699 O GLU A 71 1.462 6.313 -4.821 1.00 0.00 O ATOM 700 CB GLU A 71 4.111 5.851 -3.250 1.00 0.00 C ATOM 701 CG GLU A 71 4.681 7.112 -2.594 1.00 0.00 C ATOM 702 CD GLU A 71 6.102 7.444 -3.071 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.278 7.822 -4.250 1.00 0.00 O ATOM 704 OE2 GLU A 71 7.028 7.430 -2.229 1.00 0.00 O ATOM 0 H GLU A 71 1.897 4.114 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 71 2.499 5.793 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.710 4.987 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.183 5.940 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.025 7.955 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.688 6.981 -1.512 1.00 0.00 H new ATOM 711 N PHE A 72 1.479 7.731 -3.067 1.00 0.00 N ATOM 712 CA PHE A 72 0.712 8.798 -3.696 1.00 0.00 C ATOM 713 C PHE A 72 1.372 10.176 -3.584 1.00 0.00 C ATOM 714 O PHE A 72 2.326 10.391 -2.829 1.00 0.00 O ATOM 715 CB PHE A 72 -0.681 8.849 -3.057 1.00 0.00 C ATOM 716 CG PHE A 72 -1.471 7.563 -2.895 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.685 6.702 -3.984 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.109 7.297 -1.669 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.554 5.600 -3.853 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.992 6.213 -1.551 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.218 5.364 -2.643 1.00 0.00 C ATOM 0 H PHE A 72 1.775 7.956 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 72 0.656 8.567 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.572 9.293 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.288 9.534 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.183 6.885 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.918 7.930 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.708 4.935 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.500 6.032 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.901 4.532 -2.552 1.00 0.00 H new ATOM 731 N GLU A 73 0.917 11.094 -4.436 1.00 0.00 N ATOM 732 CA GLU A 73 1.478 12.452 -4.572 1.00 0.00 C ATOM 733 C GLU A 73 0.986 13.461 -3.502 1.00 0.00 C ATOM 734 O GLU A 73 1.531 14.560 -3.390 1.00 0.00 O ATOM 735 CB GLU A 73 1.257 12.964 -6.003 1.00 0.00 C ATOM 736 CG GLU A 73 -0.216 13.084 -6.412 1.00 0.00 C ATOM 737 CD GLU A 73 -0.340 13.469 -7.893 1.00 0.00 C ATOM 738 OE1 GLU A 73 -0.321 12.563 -8.768 1.00 0.00 O ATOM 739 OE2 GLU A 73 -0.457 14.679 -8.211 1.00 0.00 O ATOM 0 H GLU A 73 0.134 10.919 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 73 2.548 12.371 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.730 13.941 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.761 12.293 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.726 12.137 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.710 13.834 -5.794 1.00 0.00 H new ATOM 746 N GLU A 74 -0.007 13.087 -2.689 1.00 0.00 N ATOM 747 CA GLU A 74 -0.498 13.828 -1.520 1.00 0.00 C ATOM 748 C GLU A 74 -1.022 12.858 -0.430 1.00 0.00 C ATOM 749 O GLU A 74 -0.952 11.639 -0.597 1.00 0.00 O ATOM 750 CB GLU A 74 -1.534 14.909 -1.917 1.00 0.00 C ATOM 751 CG GLU A 74 -2.477 14.592 -3.092 1.00 0.00 C ATOM 752 CD GLU A 74 -3.181 13.228 -3.008 1.00 0.00 C ATOM 753 OE1 GLU A 74 -3.647 12.848 -1.901 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.271 12.532 -4.042 1.00 0.00 O ATOM 0 H GLU A 74 -0.517 12.216 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 74 0.342 14.368 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.147 15.124 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.991 15.823 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.235 15.373 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.905 14.633 -4.019 1.00 0.00 H new ATOM 761 N ALA A 75 -1.496 13.376 0.702 1.00 0.00 N ATOM 762 CA ALA A 75 -1.917 12.572 1.859 1.00 0.00 C ATOM 763 C ALA A 75 -3.448 12.370 1.976 1.00 0.00 C ATOM 764 O ALA A 75 -3.909 11.657 2.866 1.00 0.00 O ATOM 765 CB ALA A 75 -1.323 13.212 3.124 1.00 0.00 C ATOM 0 H ALA A 75 -1.602 14.380 0.848 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.533 11.561 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.621 12.634 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.236 13.223 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.691 14.233 3.222 1.00 0.00 H new ATOM 771 N GLU A 76 -4.257 12.952 1.083 1.00 0.00 N ATOM 772 CA GLU A 76 -5.723 12.768 1.062 1.00 0.00 C ATOM 773 C GLU A 76 -6.104 11.400 0.481 1.00 0.00 C ATOM 774 O GLU A 76 -6.983 10.696 0.982 1.00 0.00 O ATOM 775 CB GLU A 76 -6.386 13.840 0.185 1.00 0.00 C ATOM 776 CG GLU A 76 -6.002 15.284 0.552 1.00 0.00 C ATOM 777 CD GLU A 76 -6.255 15.619 2.036 1.00 0.00 C ATOM 778 OE1 GLU A 76 -7.419 15.524 2.495 1.00 0.00 O ATOM 779 OE2 GLU A 76 -5.295 16.001 2.746 1.00 0.00 O ATOM 0 H GLU A 76 -3.915 13.570 0.347 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.067 12.844 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.118 13.658 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.468 13.734 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.948 15.442 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.570 15.974 -0.072 1.00 0.00 H new ATOM 786 N SER A 77 -5.386 11.012 -0.558 1.00 0.00 N ATOM 787 CA SER A 77 -5.386 9.681 -1.158 1.00 0.00 C ATOM 788 C SER A 77 -4.992 8.610 -0.150 1.00 0.00 C ATOM 789 O SER A 77 -5.650 7.577 -0.041 1.00 0.00 O ATOM 790 CB SER A 77 -4.385 9.686 -2.301 1.00 0.00 C ATOM 791 OG SER A 77 -3.151 10.206 -1.878 1.00 0.00 O ATOM 0 H SER A 77 -4.750 11.650 -1.036 1.00 0.00 H new ATOM 0 HA SER A 77 -6.391 9.449 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.249 8.672 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.772 10.282 -3.128 1.00 0.00 H new ATOM 0 HG SER A 77 -3.234 11.172 -1.737 1.00 0.00 H new ATOM 797 N ALA A 78 -3.959 8.887 0.634 1.00 0.00 N ATOM 798 CA ALA A 78 -3.574 8.043 1.758 1.00 0.00 C ATOM 799 C ALA A 78 -4.689 7.971 2.811 1.00 0.00 C ATOM 800 O ALA A 78 -5.052 6.863 3.190 1.00 0.00 O ATOM 801 CB ALA A 78 -2.231 8.498 2.332 1.00 0.00 C ATOM 0 H ALA A 78 -3.363 9.705 0.509 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.436 7.022 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.958 7.857 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.464 8.432 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.313 9.529 2.675 1.00 0.00 H new ATOM 807 N ALA A 79 -5.303 9.095 3.211 1.00 0.00 N ATOM 808 CA ALA A 79 -6.428 9.122 4.154 1.00 0.00 C ATOM 809 C ALA A 79 -7.577 8.196 3.724 1.00 0.00 C ATOM 810 O ALA A 79 -8.019 7.340 4.497 1.00 0.00 O ATOM 811 CB ALA A 79 -6.886 10.570 4.379 1.00 0.00 C ATOM 0 H ALA A 79 -5.028 10.021 2.884 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.084 8.725 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.721 10.583 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.061 11.153 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.202 11.003 3.430 1.00 0.00 H new ATOM 817 N LYS A 80 -8.014 8.290 2.454 1.00 0.00 N ATOM 818 CA LYS A 80 -9.027 7.355 1.951 1.00 0.00 C ATOM 819 C LYS A 80 -8.525 5.926 1.829 1.00 0.00 C ATOM 820 O LYS A 80 -9.249 5.022 2.225 1.00 0.00 O ATOM 821 CB LYS A 80 -9.678 7.823 0.644 1.00 0.00 C ATOM 822 CG LYS A 80 -8.758 7.841 -0.577 1.00 0.00 C ATOM 823 CD LYS A 80 -9.522 8.325 -1.826 1.00 0.00 C ATOM 824 CE LYS A 80 -8.631 9.142 -2.771 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.369 9.598 -3.980 1.00 0.00 N ATOM 0 H LYS A 80 -7.691 8.983 1.779 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.802 7.352 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.527 7.175 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.074 8.827 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.907 8.496 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.359 6.842 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.922 7.464 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.373 8.932 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.237 10.008 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.776 8.538 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.968 10.498 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.283 8.882 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.373 9.733 -3.744 1.00 0.00 H new ATOM 839 N ALA A 81 -7.301 5.705 1.354 1.00 0.00 N ATOM 840 CA ALA A 81 -6.749 4.358 1.229 1.00 0.00 C ATOM 841 C ALA A 81 -6.739 3.670 2.620 1.00 0.00 C ATOM 842 O ALA A 81 -7.191 2.533 2.760 1.00 0.00 O ATOM 843 CB ALA A 81 -5.356 4.401 0.598 1.00 0.00 C ATOM 0 H ALA A 81 -6.670 6.446 1.048 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.378 3.766 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.963 3.388 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.419 4.849 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.691 4.997 1.223 1.00 0.00 H new ATOM 849 N ILE A 82 -6.311 4.393 3.661 1.00 0.00 N ATOM 850 CA ILE A 82 -6.372 3.957 5.068 1.00 0.00 C ATOM 851 C ILE A 82 -7.796 3.534 5.421 1.00 0.00 C ATOM 852 O ILE A 82 -8.038 2.381 5.788 1.00 0.00 O ATOM 853 CB ILE A 82 -5.880 5.051 6.048 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.378 5.368 5.898 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.139 4.691 7.521 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.100 6.832 6.229 1.00 0.00 C ATOM 0 H ILE A 82 -5.902 5.321 3.550 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.699 3.106 5.174 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.464 5.930 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.798 4.724 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.056 5.153 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.774 5.494 8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.209 4.558 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.618 3.766 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.035 7.034 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.664 7.472 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.402 7.036 7.256 1.00 0.00 H new ATOM 868 N GLU A 83 -8.760 4.444 5.287 1.00 0.00 N ATOM 869 CA GLU A 83 -10.151 4.148 5.647 1.00 0.00 C ATOM 870 C GLU A 83 -10.760 2.989 4.822 1.00 0.00 C ATOM 871 O GLU A 83 -11.601 2.246 5.329 1.00 0.00 O ATOM 872 CB GLU A 83 -10.984 5.431 5.542 1.00 0.00 C ATOM 873 CG GLU A 83 -10.582 6.475 6.604 1.00 0.00 C ATOM 874 CD GLU A 83 -10.978 6.048 8.032 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.161 6.222 8.416 1.00 0.00 O ATOM 876 OE2 GLU A 83 -10.111 5.546 8.788 1.00 0.00 O ATOM 0 H GLU A 83 -8.607 5.389 4.934 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.165 3.795 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.862 5.861 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.040 5.187 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.505 6.635 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.055 7.428 6.369 1.00 0.00 H new ATOM 883 N GLU A 84 -10.285 2.763 3.594 1.00 0.00 N ATOM 884 CA GLU A 84 -10.770 1.724 2.676 1.00 0.00 C ATOM 885 C GLU A 84 -10.197 0.326 2.964 1.00 0.00 C ATOM 886 O GLU A 84 -10.920 -0.664 2.833 1.00 0.00 O ATOM 887 CB GLU A 84 -10.378 2.078 1.221 1.00 0.00 C ATOM 888 CG GLU A 84 -11.153 3.234 0.576 1.00 0.00 C ATOM 889 CD GLU A 84 -12.483 2.772 -0.051 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.380 2.293 0.684 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.653 2.902 -1.287 1.00 0.00 O ATOM 0 H GLU A 84 -9.526 3.316 3.196 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.850 1.693 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.316 2.324 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.511 1.189 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.355 3.997 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.535 3.699 -0.192 1.00 0.00 H new ATOM 898 N VAL A 85 -8.914 0.221 3.343 1.00 0.00 N ATOM 899 CA VAL A 85 -8.194 -1.073 3.380 1.00 0.00 C ATOM 900 C VAL A 85 -7.123 -1.215 4.478 1.00 0.00 C ATOM 901 O VAL A 85 -6.632 -2.316 4.707 1.00 0.00 O ATOM 902 CB VAL A 85 -7.694 -1.395 1.946 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.756 -0.336 1.372 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.059 -2.777 1.780 1.00 0.00 C ATOM 0 H VAL A 85 -8.346 1.018 3.631 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.903 -1.839 3.695 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.620 -1.392 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.448 -0.629 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.273 0.623 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.877 -0.245 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.741 -2.910 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.195 -2.862 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.788 -3.546 2.037 1.00 0.00 H new ATOM 914 N HIS A 86 -6.813 -0.184 5.269 1.00 0.00 N ATOM 915 CA HIS A 86 -5.963 -0.351 6.470 1.00 0.00 C ATOM 916 C HIS A 86 -6.638 -1.205 7.550 1.00 0.00 C ATOM 917 O HIS A 86 -7.735 -0.888 8.019 1.00 0.00 O ATOM 918 CB HIS A 86 -5.591 0.995 7.097 1.00 0.00 C ATOM 919 CG HIS A 86 -4.554 0.907 8.199 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.250 1.328 8.103 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.732 0.458 9.483 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.647 1.128 9.288 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.513 0.591 10.162 1.00 0.00 N ATOM 0 H HIS A 86 -7.131 0.772 5.108 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.065 -0.858 6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.217 1.655 6.315 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.493 1.456 7.499 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.812 1.726 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.651 0.070 9.898 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.616 1.365 9.505 1.00 0.00 H new ATOM 931 N GLY A 87 -5.964 -2.274 7.976 1.00 0.00 N ATOM 932 CA GLY A 87 -6.329 -3.094 9.133 1.00 0.00 C ATOM 933 C GLY A 87 -7.372 -4.153 8.787 1.00 0.00 C ATOM 934 O GLY A 87 -7.746 -4.979 9.617 1.00 0.00 O ATOM 0 H GLY A 87 -5.120 -2.605 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.437 -3.581 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.716 -2.451 9.924 1.00 0.00 H new ATOM 938 N LYS A 88 -7.811 -4.134 7.528 1.00 0.00 N ATOM 939 CA LYS A 88 -8.619 -5.153 6.881 1.00 0.00 C ATOM 940 C LYS A 88 -7.699 -6.316 6.532 1.00 0.00 C ATOM 941 O LYS A 88 -6.542 -6.111 6.165 1.00 0.00 O ATOM 942 CB LYS A 88 -9.233 -4.518 5.633 1.00 0.00 C ATOM 943 CG LYS A 88 -10.607 -3.870 5.890 1.00 0.00 C ATOM 944 CD LYS A 88 -10.638 -2.637 6.822 1.00 0.00 C ATOM 945 CE LYS A 88 -10.417 -1.329 6.056 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.333 -0.153 6.960 1.00 0.00 N ATOM 0 H LYS A 88 -7.596 -3.359 6.901 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.422 -5.527 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.550 -3.762 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.337 -5.280 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.029 -3.578 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.266 -4.629 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.598 -2.597 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.869 -2.742 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.499 -1.403 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.233 -1.183 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.489 0.717 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.059 -0.232 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.391 -0.120 7.401 1.00 0.00 H new ATOM 960 N SER A 89 -8.213 -7.529 6.653 1.00 0.00 N ATOM 961 CA SER A 89 -7.440 -8.777 6.586 1.00 0.00 C ATOM 962 C SER A 89 -7.394 -9.353 5.165 1.00 0.00 C ATOM 963 O SER A 89 -8.303 -10.084 4.762 1.00 0.00 O ATOM 964 CB SER A 89 -7.976 -9.792 7.610 1.00 0.00 C ATOM 965 OG SER A 89 -9.387 -9.954 7.527 1.00 0.00 O ATOM 0 H SER A 89 -9.209 -7.687 6.805 1.00 0.00 H new ATOM 0 HA SER A 89 -6.407 -8.549 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.493 -10.756 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.709 -9.465 8.615 1.00 0.00 H new ATOM 0 HG SER A 89 -9.645 -10.097 6.593 1.00 0.00 H new ATOM 971 N PHE A 90 -6.350 -9.029 4.396 1.00 0.00 N ATOM 972 CA PHE A 90 -6.168 -9.630 3.066 1.00 0.00 C ATOM 973 C PHE A 90 -5.392 -10.959 3.153 1.00 0.00 C ATOM 974 O PHE A 90 -4.451 -11.086 3.938 1.00 0.00 O ATOM 975 CB PHE A 90 -5.531 -8.596 2.144 1.00 0.00 C ATOM 976 CG PHE A 90 -5.715 -8.935 0.675 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.033 -10.017 0.092 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.687 -8.240 -0.065 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.352 -10.434 -1.212 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.987 -8.636 -1.383 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.334 -9.747 -1.943 1.00 0.00 C ATOM 0 H PHE A 90 -5.625 -8.363 4.664 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.132 -9.901 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.967 -7.617 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.466 -8.523 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.262 -10.530 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.204 -7.402 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.843 -11.280 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.716 -8.088 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.589 -10.074 -2.940 1.00 0.00 H new ATOM 991 N ALA A 91 -5.777 -11.948 2.339 1.00 0.00 N ATOM 992 CA ALA A 91 -5.256 -13.325 2.264 1.00 0.00 C ATOM 993 C ALA A 91 -5.324 -14.139 3.574 1.00 0.00 C ATOM 994 O ALA A 91 -6.025 -15.152 3.639 1.00 0.00 O ATOM 995 CB ALA A 91 -3.841 -13.305 1.653 1.00 0.00 C ATOM 0 H ALA A 91 -6.522 -11.798 1.658 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.934 -13.872 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.454 -14.323 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.883 -12.877 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.183 -12.701 2.278 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.623 -13.696 4.623 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.600 -14.292 5.959 1.00 0.00 C ATOM 1003 C ASN A 92 -4.287 -13.286 7.091 1.00 0.00 C ATOM 1004 O ASN A 92 -4.308 -13.685 8.253 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.595 -15.466 5.949 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.173 -15.064 5.589 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.720 -15.229 4.465 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.417 -14.527 6.523 1.00 0.00 N ATOM 0 H ASN A 92 -4.027 -12.871 4.558 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.605 -14.650 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.590 -15.934 6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.939 -16.218 5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.459 -14.251 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.789 -14.387 7.462 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.964 -12.016 6.789 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.543 -11.023 7.800 1.00 0.00 C ATOM 1017 C GLN A 93 -3.719 -9.565 7.297 1.00 0.00 C ATOM 1018 O GLN A 93 -4.041 -9.344 6.127 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.104 -11.347 8.275 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.005 -11.239 7.206 1.00 0.00 C ATOM 1021 CD GLN A 93 0.305 -11.934 7.592 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.709 -11.987 8.741 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.020 -12.511 6.644 1.00 0.00 N ATOM 0 H GLN A 93 -3.987 -11.647 5.838 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.199 -11.095 8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.853 -10.675 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.094 -12.360 8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.373 -11.670 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.803 -10.186 7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.702 -12.480 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.890 -12.988 6.880 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.600 -8.541 8.172 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.940 -7.178 7.772 1.00 0.00 C ATOM 1034 C PRO A 94 -2.870 -6.397 7.005 1.00 0.00 C ATOM 1035 O PRO A 94 -1.668 -6.667 7.069 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.332 -6.433 9.056 1.00 0.00 C ATOM 1037 CG PRO A 94 -4.537 -7.535 10.086 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.566 -8.616 9.622 1.00 0.00 C ATOM 0 HA PRO A 94 -4.748 -7.252 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.551 -5.739 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.241 -5.848 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.309 -7.193 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.566 -7.893 10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.561 -8.437 10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.871 -9.601 9.975 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.359 -5.366 6.324 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.599 -4.318 5.650 1.00 0.00 C ATOM 1048 C LEU A 95 -2.151 -3.192 6.601 1.00 0.00 C ATOM 1049 O LEU A 95 -2.855 -2.859 7.559 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.551 -3.729 4.596 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.863 -4.561 3.334 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.724 -5.458 2.885 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.113 -5.399 3.459 1.00 0.00 C ATOM 0 H LEU A 95 -4.365 -5.231 6.221 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.688 -4.743 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.497 -3.510 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.134 -2.776 4.269 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.020 -3.797 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.024 -6.008 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.849 -4.849 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.480 -6.162 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.271 -5.957 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.002 -6.096 4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.969 -4.750 3.642 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.051 -2.512 6.259 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.550 -1.281 6.893 1.00 0.00 C ATOM 1067 C GLU A 96 -0.482 -0.148 5.852 1.00 0.00 C ATOM 1068 O GLU A 96 0.528 0.510 5.600 1.00 0.00 O ATOM 1069 CB GLU A 96 0.784 -1.554 7.601 1.00 0.00 C ATOM 1070 CG GLU A 96 1.107 -0.488 8.653 1.00 0.00 C ATOM 1071 CD GLU A 96 2.617 -0.408 8.917 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.230 -1.436 9.296 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.226 0.675 8.771 1.00 0.00 O ATOM 0 H GLU A 96 -0.453 -2.819 5.492 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.239 -0.947 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.747 -2.534 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.585 -1.589 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.742 0.482 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.585 -0.719 9.581 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.611 0.030 5.169 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.892 1.088 4.187 1.00 0.00 C ATOM 1082 C VAL A 97 -1.818 2.416 4.927 1.00 0.00 C ATOM 1083 O VAL A 97 -2.723 2.681 5.713 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.318 0.881 3.666 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.850 2.013 2.795 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.398 -0.418 2.854 1.00 0.00 C ATOM 0 H VAL A 97 -2.406 -0.597 5.290 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.187 1.070 3.356 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.940 0.845 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.865 1.778 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.856 2.940 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.210 2.131 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.415 -0.556 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.713 -0.361 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.123 -1.261 3.488 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.759 3.222 4.792 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.556 4.299 5.760 1.00 0.00 C ATOM 1098 C VAL A 98 0.334 5.432 5.220 1.00 0.00 C ATOM 1099 O VAL A 98 0.139 5.960 4.119 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.118 3.577 7.077 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.362 3.254 7.372 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.925 4.151 8.230 1.00 0.00 C ATOM 0 H VAL A 98 -0.058 3.154 4.054 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.456 4.876 5.974 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.364 2.530 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.440 2.753 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.754 2.602 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.939 4.179 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.634 3.660 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.734 5.221 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.987 3.984 8.049 1.00 0.00 H new ATOM 1112 N TYR A 99 1.337 5.806 5.996 1.00 0.00 N ATOM 1113 CA TYR A 99 2.451 6.676 5.635 1.00 0.00 C ATOM 1114 C TYR A 99 3.760 5.871 5.447 1.00 0.00 C ATOM 1115 O TYR A 99 4.830 6.454 5.341 1.00 0.00 O ATOM 1116 CB TYR A 99 2.542 7.734 6.742 1.00 0.00 C ATOM 1117 CG TYR A 99 1.285 8.555 7.009 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.315 8.760 6.005 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.127 9.194 8.259 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.775 9.620 6.228 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.023 10.038 8.491 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.930 10.260 7.476 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.978 11.099 7.698 1.00 0.00 O ATOM 0 H TYR A 99 1.402 5.489 6.963 1.00 0.00 H new ATOM 0 HA TYR A 99 2.291 7.161 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.825 7.234 7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.350 8.421 6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.411 8.252 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.856 9.035 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.496 9.791 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.094 10.518 9.452 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.928 11.450 8.612 1.00 0.00 H new ATOM 1133 N SER A 100 3.670 4.535 5.399 1.00 0.00 N ATOM 1134 CA SER A 100 4.677 3.449 5.430 1.00 0.00 C ATOM 1135 C SER A 100 5.974 3.547 6.280 1.00 0.00 C ATOM 1136 O SER A 100 6.633 2.523 6.460 1.00 0.00 O ATOM 1137 CB SER A 100 4.923 2.899 4.026 1.00 0.00 C ATOM 1138 OG SER A 100 6.015 2.011 3.863 1.00 0.00 O ATOM 0 H SER A 100 2.741 4.121 5.326 1.00 0.00 H new ATOM 0 HA SER A 100 4.160 2.736 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.018 2.386 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.070 3.744 3.353 1.00 0.00 H new ATOM 0 HG SER A 100 6.507 1.939 4.708 1.00 0.00 H new ATOM 1144 N LYS A 101 6.365 4.712 6.812 1.00 0.00 N ATOM 1145 CA LYS A 101 7.653 5.062 7.467 1.00 0.00 C ATOM 1146 C LYS A 101 8.962 4.767 6.711 1.00 0.00 C ATOM 1147 O LYS A 101 10.008 5.291 7.094 1.00 0.00 O ATOM 1148 CB LYS A 101 7.694 4.664 8.957 1.00 0.00 C ATOM 1149 CG LYS A 101 7.875 3.167 9.261 1.00 0.00 C ATOM 1150 CD LYS A 101 6.561 2.479 9.661 1.00 0.00 C ATOM 1151 CE LYS A 101 6.772 0.965 9.733 1.00 0.00 C ATOM 1152 NZ LYS A 101 5.551 0.272 10.210 1.00 0.00 N ATOM 0 H LYS A 101 5.736 5.515 6.799 1.00 0.00 H new ATOM 0 HA LYS A 101 7.637 6.151 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.508 5.210 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.768 4.998 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.288 2.670 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.601 3.049 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.222 2.855 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.781 2.713 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.046 0.587 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.603 0.743 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.599 -0.734 9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.483 0.360 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.713 0.703 9.770 1.00 0.00 H new ATOM 1166 N LEU A 102 8.923 4.008 5.614 1.00 0.00 N ATOM 1167 CA LEU A 102 10.030 3.840 4.671 1.00 0.00 C ATOM 1168 C LEU A 102 10.295 5.184 3.942 1.00 0.00 C ATOM 1169 O LEU A 102 9.357 5.709 3.330 1.00 0.00 O ATOM 1170 CB LEU A 102 9.633 2.718 3.685 1.00 0.00 C ATOM 1171 CG LEU A 102 10.757 2.299 2.721 1.00 0.00 C ATOM 1172 CD1 LEU A 102 11.863 1.522 3.443 1.00 0.00 C ATOM 1173 CD2 LEU A 102 10.196 1.405 1.618 1.00 0.00 C ATOM 0 H LEU A 102 8.094 3.477 5.349 1.00 0.00 H new ATOM 0 HA LEU A 102 10.953 3.561 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 9.314 1.845 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 102 8.774 3.049 3.102 1.00 0.00 H new ATOM 0 HG LEU A 102 11.176 3.214 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.638 1.244 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.296 2.147 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.442 0.622 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.000 1.114 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.755 0.513 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.432 1.949 1.062 1.00 0.00 H new ATOM 1185 N PRO A 103 11.515 5.760 3.977 1.00 0.00 N ATOM 1186 CA PRO A 103 11.790 7.107 3.460 1.00 0.00 C ATOM 1187 C PRO A 103 12.142 7.168 1.954 1.00 0.00 C ATOM 1188 O PRO A 103 12.263 8.266 1.401 1.00 0.00 O ATOM 1189 CB PRO A 103 12.968 7.603 4.302 1.00 0.00 C ATOM 1190 CG PRO A 103 13.770 6.326 4.543 1.00 0.00 C ATOM 1191 CD PRO A 103 12.676 5.272 4.720 1.00 0.00 C ATOM 0 HA PRO A 103 10.893 7.721 3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.554 8.356 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.636 8.055 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.424 6.094 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.403 6.406 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.003 4.304 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.434 5.135 5.774 1.00 0.00 H new ATOM 1199 N ALA A 104 12.317 6.017 1.292 1.00 0.00 N ATOM 1200 CA ALA A 104 12.808 5.880 -0.087 1.00 0.00 C ATOM 1201 C ALA A 104 11.943 4.911 -0.907 1.00 0.00 C ATOM 1202 O ALA A 104 11.501 3.879 -0.358 1.00 0.00 O ATOM 1203 CB ALA A 104 14.279 5.440 -0.035 1.00 0.00 C ATOM 0 H ALA A 104 12.111 5.115 1.722 1.00 0.00 H new ATOM 0 HA ALA A 104 12.738 6.840 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.663 5.332 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.865 6.190 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.355 4.485 0.485 1.00 0.00 H new TER 1209 ALA A 104