USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 Single : A 1 LEU N :NH3+ -118:sc= -4.75! (180deg=-8.76!) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.781) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -133:sc= 0.411! USER MOD Single : A 9 SER OG : rot 27:sc= 0.00817! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0885) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.124 (180deg=-1.07) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -15.1! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.85) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 41 SER OG : rot -61:sc= 0.0901 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -3.13! USER MOD Single : A 56 SER OG : rot 180:sc= -0.145 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.81! USER MOD Single : A 58 THR OG1 : rot 178:sc= -5.06! USER MOD Single : A 59 SER OG : rot -14:sc= -2.1! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 98:sc= 0.806 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 91:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.79! C(o=-2.8!,f=-2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 18.874 3.347 1.812 1.00 0.00 N ATOM 2 CA LEU A 1 19.517 2.010 1.960 1.00 0.00 C ATOM 3 C LEU A 1 18.438 0.937 2.092 1.00 0.00 C ATOM 4 O LEU A 1 17.274 1.184 1.855 1.00 0.00 O ATOM 5 CB LEU A 1 20.402 2.010 3.210 1.00 0.00 C ATOM 6 CG LEU A 1 21.798 2.528 2.851 1.00 0.00 C ATOM 7 CD1 LEU A 1 21.674 3.772 1.968 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.551 2.888 4.133 1.00 0.00 C ATOM 0 H1 LEU A 1 19.132 3.756 0.892 1.00 0.00 H new ATOM 0 H2 LEU A 1 17.841 3.243 1.867 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.200 3.975 2.574 1.00 0.00 H new ATOM 0 HA LEU A 1 20.128 1.798 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 1 19.958 2.638 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 1 20.471 1.002 3.619 1.00 0.00 H new ATOM 0 HG LEU A 1 22.343 1.754 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 1 22.669 4.139 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 1 21.137 3.518 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.128 4.547 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.545 3.257 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 1 22.003 3.661 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 1 22.642 2.003 4.762 1.00 0.00 H new ATOM 22 N LYS A 2 18.815 -0.253 2.461 1.00 0.00 N ATOM 23 CA LYS A 2 17.807 -1.342 2.603 1.00 0.00 C ATOM 24 C LYS A 2 16.571 -0.802 3.330 1.00 0.00 C ATOM 25 O LYS A 2 16.689 -0.151 4.348 1.00 0.00 O ATOM 26 CB LYS A 2 18.410 -2.493 3.411 1.00 0.00 C ATOM 27 CG LYS A 2 19.653 -3.025 2.695 1.00 0.00 C ATOM 28 CD LYS A 2 20.884 -2.803 3.575 1.00 0.00 C ATOM 29 CE LYS A 2 21.308 -4.131 4.205 1.00 0.00 C ATOM 30 NZ LYS A 2 21.669 -5.098 3.131 1.00 0.00 N ATOM 0 H LYS A 2 19.777 -0.521 2.671 1.00 0.00 H new ATOM 0 HA LYS A 2 17.520 -1.702 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.673 -2.150 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.677 -3.291 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.534 -4.087 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.780 -2.517 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.700 -2.394 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.661 -2.074 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.158 -3.975 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.497 -4.532 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.357 -5.786 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.815 -5.599 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.088 -4.585 2.329 1.00 0.00 H new ATOM 44 N PRO A 3 15.419 -1.100 2.785 1.00 0.00 N ATOM 45 CA PRO A 3 14.204 -0.297 3.010 1.00 0.00 C ATOM 46 C PRO A 3 13.609 -0.600 4.387 1.00 0.00 C ATOM 47 O PRO A 3 13.213 -1.712 4.672 1.00 0.00 O ATOM 48 CB PRO A 3 13.259 -0.757 1.896 1.00 0.00 C ATOM 49 CG PRO A 3 13.747 -2.158 1.464 1.00 0.00 C ATOM 50 CD PRO A 3 15.220 -2.265 1.900 1.00 0.00 C ATOM 0 HA PRO A 3 14.391 0.777 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.229 -0.796 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.280 -0.062 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.147 -2.938 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.652 -2.286 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.414 -3.201 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.893 -2.234 1.043 1.00 0.00 H new ATOM 58 N LYS A 4 13.537 0.384 5.241 1.00 0.00 N ATOM 59 CA LYS A 4 12.962 0.155 6.593 1.00 0.00 C ATOM 60 C LYS A 4 11.471 0.470 6.557 1.00 0.00 C ATOM 61 O LYS A 4 11.037 1.486 7.052 1.00 0.00 O ATOM 62 CB LYS A 4 13.654 1.071 7.606 1.00 0.00 C ATOM 63 CG LYS A 4 13.554 0.458 9.004 1.00 0.00 C ATOM 64 CD LYS A 4 13.837 1.535 10.055 1.00 0.00 C ATOM 65 CE LYS A 4 12.685 1.584 11.060 1.00 0.00 C ATOM 66 NZ LYS A 4 13.227 1.467 12.443 1.00 0.00 N ATOM 0 H LYS A 4 13.852 1.337 5.059 1.00 0.00 H new ATOM 0 HA LYS A 4 13.113 -0.884 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.700 1.208 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.190 2.057 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.561 0.037 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.267 -0.361 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.773 1.319 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.955 2.506 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.133 2.518 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.982 0.774 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.444 1.500 13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.735 0.565 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.881 2.254 12.627 1.00 0.00 H new ATOM 80 N ILE A 5 10.681 -0.389 5.972 1.00 0.00 N ATOM 81 CA ILE A 5 9.219 -0.118 5.917 1.00 0.00 C ATOM 82 C ILE A 5 8.641 -0.245 7.321 1.00 0.00 C ATOM 83 O ILE A 5 8.518 -1.320 7.873 1.00 0.00 O ATOM 84 CB ILE A 5 8.543 -1.087 4.940 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.187 -0.512 4.524 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.342 -2.452 5.598 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.042 -0.594 3.004 1.00 0.00 C ATOM 0 H ILE A 5 10.983 -1.259 5.534 1.00 0.00 H new ATOM 0 HA ILE A 5 9.036 0.894 5.555 1.00 0.00 H new ATOM 0 HB ILE A 5 9.178 -1.213 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.382 -1.066 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.103 0.524 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.861 -3.129 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.309 -2.861 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.712 -2.341 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.076 -0.184 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.839 -0.021 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.107 -1.635 2.688 1.00 0.00 H new ATOM 99 N LEU A 6 8.318 0.869 7.917 1.00 0.00 N ATOM 100 CA LEU A 6 7.783 0.842 9.302 1.00 0.00 C ATOM 101 C LEU A 6 6.287 1.184 9.330 1.00 0.00 C ATOM 102 O LEU A 6 5.695 1.280 10.386 1.00 0.00 O ATOM 103 CB LEU A 6 8.582 1.819 10.182 1.00 0.00 C ATOM 104 CG LEU A 6 8.724 3.213 9.543 1.00 0.00 C ATOM 105 CD1 LEU A 6 9.924 3.217 8.594 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.455 3.608 8.781 1.00 0.00 C ATOM 0 H LEU A 6 8.402 1.797 7.502 1.00 0.00 H new ATOM 0 HA LEU A 6 7.893 -0.168 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.090 1.916 11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.574 1.406 10.368 1.00 0.00 H new ATOM 0 HG LEU A 6 8.878 3.942 10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.026 4.203 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.830 2.978 9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.772 2.472 7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.587 4.597 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.265 2.882 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.609 3.626 9.468 1.00 0.00 H new ATOM 118 N THR A 7 5.673 1.364 8.187 1.00 0.00 N ATOM 119 CA THR A 7 4.212 1.689 8.163 1.00 0.00 C ATOM 120 C THR A 7 3.479 0.871 9.232 1.00 0.00 C ATOM 121 O THR A 7 3.973 -0.134 9.704 1.00 0.00 O ATOM 122 CB THR A 7 3.631 1.348 6.787 1.00 0.00 C ATOM 123 OG1 THR A 7 2.280 0.935 6.938 1.00 0.00 O ATOM 124 CG2 THR A 7 4.442 0.217 6.148 1.00 0.00 C ATOM 0 H THR A 7 6.118 1.300 7.271 1.00 0.00 H new ATOM 0 HA THR A 7 4.083 2.752 8.365 1.00 0.00 H new ATOM 0 HB THR A 7 3.677 2.228 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.129 0.115 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.025 -0.022 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.479 0.533 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.400 -0.666 6.786 1.00 0.00 H new ATOM 132 N ALA A 8 2.306 1.294 9.620 1.00 0.00 N ATOM 133 CA ALA A 8 1.546 0.544 10.662 1.00 0.00 C ATOM 134 C ALA A 8 1.201 -0.850 10.147 1.00 0.00 C ATOM 135 O ALA A 8 1.419 -1.846 10.808 1.00 0.00 O ATOM 136 CB ALA A 8 0.257 1.296 10.995 1.00 0.00 C ATOM 0 H ALA A 8 1.841 2.127 9.260 1.00 0.00 H new ATOM 0 HA ALA A 8 2.159 0.455 11.559 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.298 0.748 11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.502 2.290 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.353 1.387 10.097 1.00 0.00 H new ATOM 142 N SER A 9 0.668 -0.918 8.972 1.00 0.00 N ATOM 143 CA SER A 9 0.300 -2.236 8.385 1.00 0.00 C ATOM 144 C SER A 9 -0.755 -2.919 9.254 1.00 0.00 C ATOM 145 O SER A 9 -0.559 -3.144 10.432 1.00 0.00 O ATOM 146 CB SER A 9 1.544 -3.117 8.303 1.00 0.00 C ATOM 147 OG SER A 9 1.205 -4.353 7.689 1.00 0.00 O ATOM 0 H SER A 9 0.466 -0.112 8.381 1.00 0.00 H new ATOM 0 HA SER A 9 -0.108 -2.083 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.322 -2.614 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.946 -3.292 9.301 1.00 0.00 H new ATOM 0 HG SER A 9 0.437 -4.223 7.094 1.00 0.00 H new ATOM 153 N ARG A 10 -1.875 -3.248 8.674 1.00 0.00 N ATOM 154 CA ARG A 10 -2.955 -3.914 9.447 1.00 0.00 C ATOM 155 C ARG A 10 -4.188 -4.058 8.561 1.00 0.00 C ATOM 156 O ARG A 10 -4.362 -5.042 7.868 1.00 0.00 O ATOM 157 CB ARG A 10 -3.295 -3.064 10.671 1.00 0.00 C ATOM 158 CG ARG A 10 -2.682 -3.697 11.921 1.00 0.00 C ATOM 159 CD ARG A 10 -3.798 -4.139 12.868 1.00 0.00 C ATOM 160 NE ARG A 10 -3.455 -3.736 14.260 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.402 -3.425 15.101 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.420 -2.712 14.703 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.330 -3.827 16.340 1.00 0.00 N ATOM 0 H ARG A 10 -2.088 -3.082 7.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.625 -4.901 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.914 -2.051 10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.376 -2.986 10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.066 -4.552 11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.028 -2.982 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.744 -3.687 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.930 -5.220 12.813 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.479 -3.703 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.475 -2.398 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.161 -2.469 15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.534 -4.384 16.650 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.070 -3.584 16.999 1.00 0.00 H new ATOM 177 N LYS A 11 -5.035 -3.077 8.572 1.00 0.00 N ATOM 178 CA LYS A 11 -6.262 -3.135 7.728 1.00 0.00 C ATOM 179 C LYS A 11 -6.639 -1.726 7.274 1.00 0.00 C ATOM 180 O LYS A 11 -5.894 -0.782 7.452 1.00 0.00 O ATOM 181 CB LYS A 11 -7.422 -3.731 8.531 1.00 0.00 C ATOM 182 CG LYS A 11 -7.156 -5.215 8.794 1.00 0.00 C ATOM 183 CD LYS A 11 -6.725 -5.409 10.250 1.00 0.00 C ATOM 184 CE LYS A 11 -7.274 -6.738 10.771 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.532 -6.629 12.235 1.00 0.00 N ATOM 0 H LYS A 11 -4.934 -2.230 9.131 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.064 -3.762 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.535 -3.199 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.357 -3.610 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.054 -5.798 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.379 -5.580 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.637 -5.399 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.093 -4.586 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.195 -6.994 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.562 -7.540 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.905 -7.532 12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.645 -6.404 12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.226 -5.875 12.410 1.00 0.00 H new ATOM 199 N ILE A 12 -7.792 -1.582 6.686 1.00 0.00 N ATOM 200 CA ILE A 12 -8.232 -0.244 6.209 1.00 0.00 C ATOM 201 C ILE A 12 -9.759 -0.234 6.098 1.00 0.00 C ATOM 202 O ILE A 12 -10.323 -0.681 5.119 1.00 0.00 O ATOM 203 CB ILE A 12 -7.611 0.028 4.836 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.127 0.365 5.002 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.328 1.198 4.164 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.970 1.540 5.969 1.00 0.00 C ATOM 0 H ILE A 12 -8.453 -2.340 6.514 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.913 0.528 6.909 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.715 -0.861 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.587 -0.503 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.691 0.616 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.881 1.386 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.383 0.955 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.232 2.089 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.912 1.777 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.496 2.409 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.390 1.272 6.938 1.00 0.00 H new ATOM 218 N LYS A 13 -10.431 0.264 7.099 1.00 0.00 N ATOM 219 CA LYS A 13 -11.920 0.295 7.056 1.00 0.00 C ATOM 220 C LYS A 13 -12.388 1.438 6.152 1.00 0.00 C ATOM 221 O LYS A 13 -12.537 2.563 6.586 1.00 0.00 O ATOM 222 CB LYS A 13 -12.464 0.511 8.470 1.00 0.00 C ATOM 223 CG LYS A 13 -12.683 -0.843 9.146 1.00 0.00 C ATOM 224 CD LYS A 13 -14.136 -0.952 9.614 1.00 0.00 C ATOM 225 CE LYS A 13 -14.192 -1.734 10.927 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.741 -0.859 12.046 1.00 0.00 N ATOM 0 H LYS A 13 -10.013 0.651 7.945 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.289 -0.651 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.765 1.111 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.402 1.065 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.453 -1.650 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.008 -0.951 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.560 0.043 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.737 -1.452 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.208 -2.084 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.557 -2.618 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.043 -1.271 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.704 -0.781 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.161 0.086 11.939 1.00 0.00 H new ATOM 240 N ILE A 14 -12.629 1.160 4.900 1.00 0.00 N ATOM 241 CA ILE A 14 -13.095 2.232 3.975 1.00 0.00 C ATOM 242 C ILE A 14 -14.602 2.077 3.747 1.00 0.00 C ATOM 243 O ILE A 14 -15.158 1.012 3.922 1.00 0.00 O ATOM 244 CB ILE A 14 -12.358 2.112 2.636 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.883 1.790 2.894 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.473 3.428 1.866 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.058 2.045 1.627 1.00 0.00 C ATOM 0 H ILE A 14 -12.523 0.238 4.478 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.888 3.209 4.412 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.805 1.312 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.506 2.404 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.778 0.750 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.948 3.340 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.524 3.651 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.029 4.233 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.011 1.813 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.426 1.412 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.150 3.092 1.338 1.00 0.00 H new ATOM 259 N LYS A 15 -15.269 3.128 3.360 1.00 0.00 N ATOM 260 CA LYS A 15 -16.736 3.028 3.120 1.00 0.00 C ATOM 261 C LYS A 15 -16.989 2.917 1.614 1.00 0.00 C ATOM 262 O LYS A 15 -16.115 3.178 0.811 1.00 0.00 O ATOM 263 CB LYS A 15 -17.429 4.276 3.669 1.00 0.00 C ATOM 264 CG LYS A 15 -18.378 3.884 4.803 1.00 0.00 C ATOM 265 CD LYS A 15 -19.812 3.812 4.272 1.00 0.00 C ATOM 266 CE LYS A 15 -20.796 4.061 5.417 1.00 0.00 C ATOM 267 NZ LYS A 15 -20.274 3.436 6.665 1.00 0.00 N ATOM 0 H LYS A 15 -14.863 4.050 3.200 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.134 2.147 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.686 4.986 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.984 4.775 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.085 2.920 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.315 4.612 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.957 4.553 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.997 2.835 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.935 5.132 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.772 3.644 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.064 3.239 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.788 2.547 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.604 4.086 7.125 1.00 0.00 H new ATOM 281 N ALA A 16 -18.171 2.526 1.223 1.00 0.00 N ATOM 282 CA ALA A 16 -18.463 2.395 -0.234 1.00 0.00 C ATOM 283 C ALA A 16 -18.562 3.786 -0.869 1.00 0.00 C ATOM 284 O ALA A 16 -18.900 4.749 -0.215 1.00 0.00 O ATOM 285 CB ALA A 16 -19.788 1.654 -0.423 1.00 0.00 C ATOM 0 H ALA A 16 -18.944 2.292 1.846 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.659 1.836 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.002 1.558 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.717 0.662 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.590 2.213 0.059 1.00 0.00 H new ATOM 291 N GLY A 17 -18.270 3.898 -2.140 1.00 0.00 N ATOM 292 CA GLY A 17 -18.345 5.225 -2.816 1.00 0.00 C ATOM 293 C GLY A 17 -17.717 6.291 -1.920 1.00 0.00 C ATOM 294 O GLY A 17 -18.094 7.446 -1.954 1.00 0.00 O ATOM 0 H GLY A 17 -17.982 3.124 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.825 5.187 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.384 5.479 -3.028 1.00 0.00 H new ATOM 298 N PHE A 18 -16.770 5.912 -1.105 1.00 0.00 N ATOM 299 CA PHE A 18 -16.128 6.907 -0.193 1.00 0.00 C ATOM 300 C PHE A 18 -14.690 7.187 -0.628 1.00 0.00 C ATOM 301 O PHE A 18 -14.216 6.679 -1.627 1.00 0.00 O ATOM 302 CB PHE A 18 -16.116 6.363 1.237 1.00 0.00 C ATOM 303 CG PHE A 18 -17.371 6.800 1.945 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.557 6.940 1.224 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.351 7.060 3.320 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.730 7.341 1.873 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.522 7.460 3.972 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.713 7.600 3.249 1.00 0.00 C ATOM 0 H PHE A 18 -16.413 4.960 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.702 7.833 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.052 5.275 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.238 6.728 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.570 6.739 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.432 6.952 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.647 7.451 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.508 7.661 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.618 7.907 3.752 1.00 0.00 H new ATOM 318 N THR A 19 -13.995 7.996 0.128 1.00 0.00 N ATOM 319 CA THR A 19 -12.586 8.325 -0.218 1.00 0.00 C ATOM 320 C THR A 19 -11.665 7.904 0.928 1.00 0.00 C ATOM 321 O THR A 19 -11.930 8.174 2.082 1.00 0.00 O ATOM 322 CB THR A 19 -12.456 9.833 -0.445 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.789 10.521 0.752 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.402 10.265 -1.565 1.00 0.00 C ATOM 0 H THR A 19 -14.347 8.444 0.974 1.00 0.00 H new ATOM 0 HA THR A 19 -12.303 7.793 -1.126 1.00 0.00 H new ATOM 0 HB THR A 19 -11.431 10.071 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.704 11.487 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.309 11.339 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.144 9.737 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.429 10.028 -1.286 1.00 0.00 H new ATOM 332 N HIS A 20 -10.586 7.241 0.617 1.00 0.00 N ATOM 333 CA HIS A 20 -9.647 6.798 1.689 1.00 0.00 C ATOM 334 C HIS A 20 -8.254 7.367 1.417 1.00 0.00 C ATOM 335 O HIS A 20 -7.878 7.597 0.286 1.00 0.00 O ATOM 336 CB HIS A 20 -9.567 5.272 1.680 1.00 0.00 C ATOM 337 CG HIS A 20 -9.462 4.744 3.079 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.531 4.763 3.958 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.431 4.137 3.751 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.129 4.176 5.096 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.854 3.780 5.028 1.00 0.00 N ATOM 0 H HIS A 20 -10.313 6.986 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.005 7.151 2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.451 4.858 1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.703 4.951 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.443 3.963 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.760 4.040 5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.309 3.316 5.755 1.00 0.00 H new ATOM 349 N ASN A 21 -7.478 7.580 2.441 1.00 0.00 N ATOM 350 CA ASN A 21 -6.104 8.112 2.230 1.00 0.00 C ATOM 351 C ASN A 21 -5.104 7.113 2.808 1.00 0.00 C ATOM 352 O ASN A 21 -4.740 7.174 3.966 1.00 0.00 O ATOM 353 CB ASN A 21 -5.944 9.470 2.920 1.00 0.00 C ATOM 354 CG ASN A 21 -7.310 10.147 3.059 1.00 0.00 C ATOM 355 OD1 ASN A 21 -8.037 10.278 2.094 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.693 10.584 4.228 1.00 0.00 N ATOM 0 H ASN A 21 -7.735 7.409 3.413 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.924 8.249 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.492 9.337 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.271 10.104 2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.602 11.035 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.083 10.474 5.038 1.00 0.00 H new ATOM 363 N LEU A 22 -4.676 6.179 2.007 1.00 0.00 N ATOM 364 CA LEU A 22 -3.720 5.149 2.488 1.00 0.00 C ATOM 365 C LEU A 22 -2.328 5.758 2.660 1.00 0.00 C ATOM 366 O LEU A 22 -1.806 6.401 1.769 1.00 0.00 O ATOM 367 CB LEU A 22 -3.671 4.032 1.453 1.00 0.00 C ATOM 368 CG LEU A 22 -2.726 2.928 1.912 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.210 1.602 1.334 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.311 3.215 1.404 1.00 0.00 C ATOM 0 H LEU A 22 -4.952 6.086 1.029 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.044 4.760 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.670 3.625 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.338 4.430 0.494 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.712 2.882 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.544 0.801 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.220 1.397 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.213 1.659 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.638 2.423 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.317 3.255 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.969 4.171 1.801 1.00 0.00 H new ATOM 382 N GLU A 23 -1.719 5.549 3.797 1.00 0.00 N ATOM 383 CA GLU A 23 -0.358 6.108 4.030 1.00 0.00 C ATOM 384 C GLU A 23 0.607 4.982 4.414 1.00 0.00 C ATOM 385 O GLU A 23 0.221 3.985 4.992 1.00 0.00 O ATOM 386 CB GLU A 23 -0.416 7.136 5.161 1.00 0.00 C ATOM 387 CG GLU A 23 0.911 7.894 5.230 1.00 0.00 C ATOM 388 CD GLU A 23 1.762 7.329 6.369 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.204 7.055 7.418 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.957 7.181 6.172 1.00 0.00 O ATOM 0 H GLU A 23 -2.107 5.015 4.574 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.006 6.588 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.237 7.833 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.612 6.637 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.444 7.803 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.727 8.956 5.391 1.00 0.00 H new ATOM 397 N VAL A 24 1.863 5.142 4.096 1.00 0.00 N ATOM 398 CA VAL A 24 2.874 4.097 4.434 1.00 0.00 C ATOM 399 C VAL A 24 4.258 4.750 4.458 1.00 0.00 C ATOM 400 O VAL A 24 4.450 5.821 3.919 1.00 0.00 O ATOM 401 CB VAL A 24 2.840 2.993 3.371 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.129 2.168 3.432 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.643 2.077 3.633 1.00 0.00 C ATOM 0 H VAL A 24 2.236 5.959 3.612 1.00 0.00 H new ATOM 0 HA VAL A 24 2.653 3.659 5.408 1.00 0.00 H new ATOM 0 HB VAL A 24 2.751 3.448 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.097 1.386 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.985 2.817 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.224 1.713 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.615 1.290 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.738 1.629 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.722 2.659 3.585 1.00 0.00 H new ATOM 413 N ASP A 25 5.225 4.124 5.074 1.00 0.00 N ATOM 414 CA ASP A 25 6.581 4.741 5.115 1.00 0.00 C ATOM 415 C ASP A 25 7.661 3.669 5.222 1.00 0.00 C ATOM 416 O ASP A 25 7.503 2.670 5.896 1.00 0.00 O ATOM 417 CB ASP A 25 6.690 5.703 6.306 1.00 0.00 C ATOM 418 CG ASP A 25 5.627 5.368 7.356 1.00 0.00 C ATOM 419 OD1 ASP A 25 5.308 4.200 7.497 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.150 6.287 8.002 1.00 0.00 O ATOM 0 H ASP A 25 5.137 3.224 5.545 1.00 0.00 H new ATOM 0 HA ASP A 25 6.729 5.296 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.684 5.634 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.564 6.731 5.965 1.00 0.00 H new ATOM 425 N PHE A 26 8.768 3.880 4.558 1.00 0.00 N ATOM 426 CA PHE A 26 9.875 2.886 4.612 1.00 0.00 C ATOM 427 C PHE A 26 11.198 3.581 4.278 1.00 0.00 C ATOM 428 O PHE A 26 11.299 4.304 3.308 1.00 0.00 O ATOM 429 CB PHE A 26 9.615 1.769 3.594 1.00 0.00 C ATOM 430 CG PHE A 26 9.555 2.341 2.199 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.352 2.866 1.707 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.698 2.334 1.392 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.295 3.384 0.409 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.641 2.854 0.095 1.00 0.00 C ATOM 435 CZ PHE A 26 9.440 3.379 -0.397 1.00 0.00 C ATOM 0 H PHE A 26 8.951 4.700 3.980 1.00 0.00 H new ATOM 0 HA PHE A 26 9.929 2.458 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.405 1.020 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.678 1.264 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.470 2.871 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.624 1.927 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.368 3.788 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.524 2.851 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.397 3.780 -1.399 1.00 0.00 H new ATOM 445 N ILE A 27 12.212 3.374 5.072 1.00 0.00 N ATOM 446 CA ILE A 27 13.520 4.035 4.792 1.00 0.00 C ATOM 447 C ILE A 27 14.291 3.235 3.743 1.00 0.00 C ATOM 448 O ILE A 27 15.199 2.491 4.053 1.00 0.00 O ATOM 449 CB ILE A 27 14.332 4.121 6.083 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.759 5.244 6.942 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.798 4.426 5.762 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.286 4.958 7.238 1.00 0.00 C ATOM 0 H ILE A 27 12.193 2.778 5.900 1.00 0.00 H new ATOM 0 HA ILE A 27 13.344 5.040 4.410 1.00 0.00 H new ATOM 0 HB ILE A 27 14.278 3.171 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.319 5.326 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.859 6.199 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.369 4.485 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.206 3.633 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.865 5.377 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.876 5.760 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.732 4.898 6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.199 4.012 7.772 1.00 0.00 H new ATOM 464 N GLY A 28 13.935 3.390 2.502 1.00 0.00 N ATOM 465 CA GLY A 28 14.645 2.640 1.428 1.00 0.00 C ATOM 466 C GLY A 28 15.370 3.617 0.501 1.00 0.00 C ATOM 467 O GLY A 28 14.908 4.714 0.255 1.00 0.00 O ATOM 0 H GLY A 28 13.184 4.002 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.360 1.946 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.933 2.044 0.857 1.00 0.00 H new ATOM 471 N ALA A 29 16.504 3.228 -0.018 1.00 0.00 N ATOM 472 CA ALA A 29 17.252 4.134 -0.932 1.00 0.00 C ATOM 473 C ALA A 29 18.615 3.515 -1.269 1.00 0.00 C ATOM 474 O ALA A 29 19.014 2.536 -0.670 1.00 0.00 O ATOM 475 CB ALA A 29 17.447 5.490 -0.253 1.00 0.00 C ATOM 0 H ALA A 29 16.943 2.323 0.152 1.00 0.00 H new ATOM 0 HA ALA A 29 16.687 4.272 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 17.995 6.156 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.474 5.925 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.011 5.357 0.670 1.00 0.00 H new ATOM 481 N PRO A 30 19.281 4.102 -2.232 1.00 0.00 N ATOM 482 CA PRO A 30 18.783 5.288 -2.948 1.00 0.00 C ATOM 483 C PRO A 30 17.671 4.894 -3.916 1.00 0.00 C ATOM 484 O PRO A 30 17.695 3.835 -4.512 1.00 0.00 O ATOM 485 CB PRO A 30 20.006 5.802 -3.703 1.00 0.00 C ATOM 486 CG PRO A 30 20.958 4.599 -3.839 1.00 0.00 C ATOM 487 CD PRO A 30 20.593 3.622 -2.704 1.00 0.00 C ATOM 0 HA PRO A 30 18.358 6.040 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.725 6.190 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.484 6.618 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.844 4.122 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.998 4.916 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.537 2.595 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.336 3.640 -1.907 1.00 0.00 H new ATOM 495 N ASP A 31 16.708 5.752 -4.070 1.00 0.00 N ATOM 496 CA ASP A 31 15.566 5.478 -4.991 1.00 0.00 C ATOM 497 C ASP A 31 15.220 3.983 -4.991 1.00 0.00 C ATOM 498 O ASP A 31 15.635 3.254 -5.870 1.00 0.00 O ATOM 499 CB ASP A 31 15.941 5.915 -6.408 1.00 0.00 C ATOM 500 CG ASP A 31 15.107 7.135 -6.802 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.374 8.204 -6.278 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.216 6.980 -7.621 1.00 0.00 O ATOM 0 H ASP A 31 16.659 6.650 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 31 14.696 6.038 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.003 6.156 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.766 5.100 -7.110 1.00 0.00 H new ATOM 507 N PRO A 32 14.462 3.577 -4.005 1.00 0.00 N ATOM 508 CA PRO A 32 14.028 2.174 -3.860 1.00 0.00 C ATOM 509 C PRO A 32 12.860 1.884 -4.805 1.00 0.00 C ATOM 510 O PRO A 32 12.530 2.680 -5.663 1.00 0.00 O ATOM 511 CB PRO A 32 13.567 2.091 -2.403 1.00 0.00 C ATOM 512 CG PRO A 32 13.220 3.537 -1.977 1.00 0.00 C ATOM 513 CD PRO A 32 13.969 4.475 -2.942 1.00 0.00 C ATOM 0 HA PRO A 32 14.811 1.455 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.700 1.438 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.351 1.676 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.145 3.708 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.523 3.720 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.309 5.244 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.790 4.989 -2.442 1.00 0.00 H new ATOM 521 N THR A 33 12.224 0.757 -4.648 1.00 0.00 N ATOM 522 CA THR A 33 11.071 0.427 -5.530 1.00 0.00 C ATOM 523 C THR A 33 9.896 -0.043 -4.671 1.00 0.00 C ATOM 524 O THR A 33 9.950 -1.082 -4.044 1.00 0.00 O ATOM 525 CB THR A 33 11.463 -0.684 -6.506 1.00 0.00 C ATOM 526 OG1 THR A 33 12.472 -0.206 -7.386 1.00 0.00 O ATOM 527 CG2 THR A 33 10.234 -1.104 -7.314 1.00 0.00 C ATOM 0 H THR A 33 12.452 0.051 -3.948 1.00 0.00 H new ATOM 0 HA THR A 33 10.784 1.314 -6.094 1.00 0.00 H new ATOM 0 HB THR A 33 11.844 -1.542 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.725 -0.917 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.510 -1.896 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.461 -1.469 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.854 -0.247 -7.870 1.00 0.00 H new ATOM 535 N ALA A 34 8.834 0.712 -4.638 1.00 0.00 N ATOM 536 CA ALA A 34 7.658 0.304 -3.819 1.00 0.00 C ATOM 537 C ALA A 34 6.525 -0.133 -4.747 1.00 0.00 C ATOM 538 O ALA A 34 6.036 0.637 -5.550 1.00 0.00 O ATOM 539 CB ALA A 34 7.195 1.486 -2.965 1.00 0.00 C ATOM 0 H ALA A 34 8.729 1.593 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 34 7.935 -0.524 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.335 1.187 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.005 1.798 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.915 2.316 -3.614 1.00 0.00 H new ATOM 545 N THR A 35 6.107 -1.365 -4.649 1.00 0.00 N ATOM 546 CA THR A 35 5.010 -1.847 -5.533 1.00 0.00 C ATOM 547 C THR A 35 3.709 -1.950 -4.734 1.00 0.00 C ATOM 548 O THR A 35 3.623 -2.669 -3.757 1.00 0.00 O ATOM 549 CB THR A 35 5.372 -3.226 -6.090 1.00 0.00 C ATOM 550 OG1 THR A 35 6.589 -3.136 -6.819 1.00 0.00 O ATOM 551 CG2 THR A 35 4.255 -3.712 -7.015 1.00 0.00 C ATOM 0 H THR A 35 6.477 -2.057 -3.997 1.00 0.00 H new ATOM 0 HA THR A 35 4.876 -1.143 -6.354 1.00 0.00 H new ATOM 0 HB THR A 35 5.493 -3.931 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.823 -4.019 -7.175 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.513 -4.694 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.322 -3.780 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.133 -3.009 -7.839 1.00 0.00 H new ATOM 559 N TRP A 36 2.693 -1.241 -5.149 1.00 0.00 N ATOM 560 CA TRP A 36 1.395 -1.302 -4.423 1.00 0.00 C ATOM 561 C TRP A 36 0.577 -2.482 -4.968 1.00 0.00 C ATOM 562 O TRP A 36 -0.060 -2.413 -6.015 1.00 0.00 O ATOM 563 CB TRP A 36 0.644 0.018 -4.611 1.00 0.00 C ATOM 564 CG TRP A 36 1.023 0.946 -3.495 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.757 2.077 -3.626 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.715 0.829 -2.076 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.904 2.662 -2.384 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.283 1.931 -1.397 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.004 -0.115 -1.321 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.149 2.090 -0.018 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.130 0.041 0.068 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.440 1.140 0.716 1.00 0.00 C ATOM 0 H TRP A 36 2.708 -0.623 -5.960 1.00 0.00 H new ATOM 0 HA TRP A 36 1.562 -1.451 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.895 0.462 -5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.432 -0.155 -4.610 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.162 2.459 -4.552 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.412 3.531 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.443 -0.967 -1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.591 2.942 0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.678 -0.694 0.640 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.331 1.253 1.785 1.00 0.00 H new ATOM 583 N THR A 37 0.611 -3.585 -4.277 1.00 0.00 N ATOM 584 CA THR A 37 -0.138 -4.768 -4.763 1.00 0.00 C ATOM 585 C THR A 37 -1.401 -4.981 -3.937 1.00 0.00 C ATOM 586 O THR A 37 -1.713 -4.228 -3.034 1.00 0.00 O ATOM 587 CB THR A 37 0.737 -6.021 -4.687 1.00 0.00 C ATOM 588 OG1 THR A 37 1.915 -5.733 -3.948 1.00 0.00 O ATOM 589 CG2 THR A 37 1.112 -6.471 -6.100 1.00 0.00 C ATOM 0 H THR A 37 1.122 -3.716 -3.404 1.00 0.00 H new ATOM 0 HA THR A 37 -0.418 -4.587 -5.801 1.00 0.00 H new ATOM 0 HB THR A 37 0.185 -6.819 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.703 -5.705 -2.992 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.735 -7.364 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.206 -6.696 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.662 -5.675 -6.601 1.00 0.00 H new ATOM 597 N VAL A 38 -2.144 -5.997 -4.265 1.00 0.00 N ATOM 598 CA VAL A 38 -3.407 -6.252 -3.539 1.00 0.00 C ATOM 599 C VAL A 38 -3.520 -7.743 -3.162 1.00 0.00 C ATOM 600 O VAL A 38 -4.238 -8.509 -3.769 1.00 0.00 O ATOM 601 CB VAL A 38 -4.547 -5.811 -4.461 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.814 -6.865 -5.529 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.805 -5.576 -3.649 1.00 0.00 C ATOM 0 H VAL A 38 -1.927 -6.662 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.447 -5.694 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.254 -4.883 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.628 -6.532 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.915 -7.013 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.091 -7.805 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.612 -5.262 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.089 -6.499 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.620 -4.798 -2.909 1.00 0.00 H new ATOM 613 N GLY A 39 -2.816 -8.146 -2.137 1.00 0.00 N ATOM 614 CA GLY A 39 -2.867 -9.569 -1.682 1.00 0.00 C ATOM 615 C GLY A 39 -2.957 -10.513 -2.883 1.00 0.00 C ATOM 616 O GLY A 39 -2.511 -10.201 -3.968 1.00 0.00 O ATOM 0 H GLY A 39 -2.201 -7.544 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.978 -9.801 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.728 -9.718 -1.030 1.00 0.00 H new ATOM 620 N ASP A 40 -3.535 -11.670 -2.690 1.00 0.00 N ATOM 621 CA ASP A 40 -3.666 -12.645 -3.808 1.00 0.00 C ATOM 622 C ASP A 40 -2.293 -13.218 -4.171 1.00 0.00 C ATOM 623 O ASP A 40 -2.164 -14.012 -5.082 1.00 0.00 O ATOM 624 CB ASP A 40 -4.261 -11.933 -5.017 1.00 0.00 C ATOM 625 CG ASP A 40 -5.284 -12.844 -5.698 1.00 0.00 C ATOM 626 OD1 ASP A 40 -5.795 -13.729 -5.033 1.00 0.00 O ATOM 627 OD2 ASP A 40 -5.539 -12.639 -6.873 1.00 0.00 O ATOM 0 H ASP A 40 -3.924 -11.981 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.317 -13.464 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.737 -11.003 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.471 -11.667 -5.720 1.00 0.00 H new ATOM 632 N SER A 41 -1.266 -12.826 -3.469 1.00 0.00 N ATOM 633 CA SER A 41 0.094 -13.353 -3.778 1.00 0.00 C ATOM 634 C SER A 41 0.403 -13.120 -5.258 1.00 0.00 C ATOM 635 O SER A 41 0.870 -14.001 -5.952 1.00 0.00 O ATOM 636 CB SER A 41 0.142 -14.852 -3.475 1.00 0.00 C ATOM 637 OG SER A 41 1.496 -15.282 -3.448 1.00 0.00 O ATOM 0 H SER A 41 -1.309 -12.164 -2.695 1.00 0.00 H new ATOM 0 HA SER A 41 0.833 -12.837 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.336 -15.057 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.413 -15.406 -4.232 1.00 0.00 H new ATOM 0 HG SER A 41 1.908 -15.122 -4.323 1.00 0.00 H new ATOM 643 N GLY A 42 0.144 -11.938 -5.744 1.00 0.00 N ATOM 644 CA GLY A 42 0.419 -11.641 -7.178 1.00 0.00 C ATOM 645 C GLY A 42 -0.548 -10.562 -7.664 1.00 0.00 C ATOM 646 O GLY A 42 -0.298 -9.883 -8.640 1.00 0.00 O ATOM 0 H GLY A 42 -0.247 -11.163 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.449 -11.305 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.305 -12.545 -7.777 1.00 0.00 H new ATOM 650 N ALA A 43 -1.650 -10.397 -6.986 1.00 0.00 N ATOM 651 CA ALA A 43 -2.633 -9.366 -7.398 1.00 0.00 C ATOM 652 C ALA A 43 -2.043 -7.982 -7.136 1.00 0.00 C ATOM 653 O ALA A 43 -1.071 -7.839 -6.422 1.00 0.00 O ATOM 654 CB ALA A 43 -3.924 -9.536 -6.591 1.00 0.00 C ATOM 0 H ALA A 43 -1.910 -10.937 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.857 -9.475 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.646 -8.778 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.340 -10.527 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.706 -9.425 -5.529 1.00 0.00 H new ATOM 660 N ALA A 44 -2.620 -6.958 -7.702 1.00 0.00 N ATOM 661 CA ALA A 44 -2.083 -5.589 -7.470 1.00 0.00 C ATOM 662 C ALA A 44 -3.239 -4.594 -7.409 1.00 0.00 C ATOM 663 O ALA A 44 -4.374 -4.943 -7.665 1.00 0.00 O ATOM 664 CB ALA A 44 -1.137 -5.208 -8.610 1.00 0.00 C ATOM 0 H ALA A 44 -3.436 -7.010 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.536 -5.569 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.745 -4.206 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.311 -5.918 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.680 -5.228 -9.555 1.00 0.00 H new ATOM 670 N LEU A 45 -2.979 -3.351 -7.088 1.00 0.00 N ATOM 671 CA LEU A 45 -4.120 -2.378 -7.048 1.00 0.00 C ATOM 672 C LEU A 45 -3.699 -1.034 -7.642 1.00 0.00 C ATOM 673 O LEU A 45 -2.569 -0.605 -7.514 1.00 0.00 O ATOM 674 CB LEU A 45 -4.661 -2.208 -5.614 1.00 0.00 C ATOM 675 CG LEU A 45 -3.680 -1.449 -4.723 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.295 -2.015 -4.900 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.685 0.040 -5.077 1.00 0.00 C ATOM 0 H LEU A 45 -2.059 -2.974 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.930 -2.781 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.611 -1.675 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.860 -3.189 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.985 -1.561 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.596 -1.472 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.295 -3.069 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.991 -1.914 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.981 0.569 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.391 0.167 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.686 0.446 -4.930 1.00 0.00 H new ATOM 689 N ALA A 46 -4.611 -0.379 -8.309 1.00 0.00 N ATOM 690 CA ALA A 46 -4.296 0.931 -8.943 1.00 0.00 C ATOM 691 C ALA A 46 -5.483 1.379 -9.807 1.00 0.00 C ATOM 692 O ALA A 46 -6.029 2.447 -9.598 1.00 0.00 O ATOM 693 CB ALA A 46 -3.051 0.789 -9.819 1.00 0.00 C ATOM 0 H ALA A 46 -5.570 -0.700 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.110 1.674 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.821 1.748 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.208 0.472 -9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.235 0.046 -10.595 1.00 0.00 H new ATOM 699 N PRO A 47 -5.857 0.544 -10.751 1.00 0.00 N ATOM 700 CA PRO A 47 -6.983 0.833 -11.658 1.00 0.00 C ATOM 701 C PRO A 47 -8.306 0.731 -10.899 1.00 0.00 C ATOM 702 O PRO A 47 -8.984 -0.276 -10.925 1.00 0.00 O ATOM 703 CB PRO A 47 -6.860 -0.235 -12.749 1.00 0.00 C ATOM 704 CG PRO A 47 -6.028 -1.385 -12.139 1.00 0.00 C ATOM 705 CD PRO A 47 -5.210 -0.766 -10.989 1.00 0.00 C ATOM 0 HA PRO A 47 -6.960 1.839 -12.077 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.843 -0.589 -13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.372 0.170 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.676 -2.180 -11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.372 -1.829 -12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.238 -1.392 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.162 -0.649 -11.263 1.00 0.00 H new ATOM 713 N GLU A 48 -8.650 1.780 -10.208 1.00 0.00 N ATOM 714 CA GLU A 48 -9.900 1.808 -9.406 1.00 0.00 C ATOM 715 C GLU A 48 -9.746 2.908 -8.355 1.00 0.00 C ATOM 716 O GLU A 48 -10.706 3.481 -7.879 1.00 0.00 O ATOM 717 CB GLU A 48 -10.082 0.457 -8.719 1.00 0.00 C ATOM 718 CG GLU A 48 -11.085 0.584 -7.570 1.00 0.00 C ATOM 719 CD GLU A 48 -11.811 -0.748 -7.377 1.00 0.00 C ATOM 720 OE1 GLU A 48 -11.203 -1.774 -7.636 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.962 -0.721 -6.974 1.00 0.00 O ATOM 0 H GLU A 48 -8.102 2.639 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.768 2.003 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.433 -0.282 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.124 0.101 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.569 0.865 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.804 1.374 -7.786 1.00 0.00 H new ATOM 728 N LEU A 49 -8.522 3.207 -8.010 1.00 0.00 N ATOM 729 CA LEU A 49 -8.238 4.263 -7.016 1.00 0.00 C ATOM 730 C LEU A 49 -6.984 5.009 -7.470 1.00 0.00 C ATOM 731 O LEU A 49 -6.546 4.863 -8.594 1.00 0.00 O ATOM 732 CB LEU A 49 -8.010 3.624 -5.646 1.00 0.00 C ATOM 733 CG LEU A 49 -6.744 2.768 -5.676 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.030 2.858 -4.326 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.130 1.315 -5.947 1.00 0.00 C ATOM 0 H LEU A 49 -7.693 2.748 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.075 4.957 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.918 4.398 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.868 3.010 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.079 3.128 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.128 2.247 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.761 3.895 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.692 2.496 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.232 0.698 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.793 0.961 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.641 1.247 -6.907 1.00 0.00 H new ATOM 747 N LEU A 50 -6.393 5.796 -6.622 1.00 0.00 N ATOM 748 CA LEU A 50 -5.160 6.526 -7.046 1.00 0.00 C ATOM 749 C LEU A 50 -3.980 6.012 -6.227 1.00 0.00 C ATOM 750 O LEU A 50 -4.156 5.301 -5.258 1.00 0.00 O ATOM 751 CB LEU A 50 -5.318 8.039 -6.835 1.00 0.00 C ATOM 752 CG LEU A 50 -6.773 8.382 -6.505 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.916 9.897 -6.351 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.678 7.898 -7.639 1.00 0.00 C ATOM 0 H LEU A 50 -6.701 5.968 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.989 6.349 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.667 8.370 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.006 8.572 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.061 7.893 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.952 10.143 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.269 10.243 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.629 10.386 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.715 8.141 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.390 8.389 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.575 6.819 -7.751 1.00 0.00 H new ATOM 766 N VAL A 51 -2.776 6.345 -6.605 1.00 0.00 N ATOM 767 CA VAL A 51 -1.613 5.841 -5.828 1.00 0.00 C ATOM 768 C VAL A 51 -0.424 6.796 -5.938 1.00 0.00 C ATOM 769 O VAL A 51 -0.037 7.214 -7.011 1.00 0.00 O ATOM 770 CB VAL A 51 -1.208 4.467 -6.359 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.038 3.924 -5.537 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.395 3.512 -6.240 1.00 0.00 C ATOM 0 H VAL A 51 -2.551 6.935 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.903 5.770 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.908 4.554 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.250 2.944 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.809 4.606 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.337 3.835 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.111 2.530 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.690 3.427 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.232 3.897 -6.823 1.00 0.00 H new ATOM 782 N ASP A 52 0.168 7.118 -4.822 1.00 0.00 N ATOM 783 CA ASP A 52 1.354 8.019 -4.816 1.00 0.00 C ATOM 784 C ASP A 52 2.453 7.338 -3.999 1.00 0.00 C ATOM 785 O ASP A 52 2.178 6.499 -3.163 1.00 0.00 O ATOM 786 CB ASP A 52 0.984 9.357 -4.173 1.00 0.00 C ATOM 787 CG ASP A 52 0.445 10.306 -5.246 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.400 9.880 -6.016 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.886 11.443 -5.279 1.00 0.00 O ATOM 0 H ASP A 52 -0.124 6.790 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 52 1.696 8.207 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.234 9.205 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.858 9.795 -3.690 1.00 0.00 H new ATOM 794 N ALA A 53 3.694 7.658 -4.224 1.00 0.00 N ATOM 795 CA ALA A 53 4.751 6.972 -3.435 1.00 0.00 C ATOM 796 C ALA A 53 6.040 7.799 -3.398 1.00 0.00 C ATOM 797 O ALA A 53 6.389 8.482 -4.340 1.00 0.00 O ATOM 798 CB ALA A 53 5.019 5.604 -4.060 1.00 0.00 C ATOM 0 H ALA A 53 4.018 8.347 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 53 4.408 6.853 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.793 5.089 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.104 5.012 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.352 5.733 -5.090 1.00 0.00 H new ATOM 804 N LYS A 54 6.744 7.733 -2.297 1.00 0.00 N ATOM 805 CA LYS A 54 8.017 8.503 -2.154 1.00 0.00 C ATOM 806 C LYS A 54 9.198 7.538 -1.965 1.00 0.00 C ATOM 807 O LYS A 54 9.038 6.401 -1.571 1.00 0.00 O ATOM 808 CB LYS A 54 7.921 9.429 -0.941 1.00 0.00 C ATOM 809 CG LYS A 54 7.874 10.884 -1.411 1.00 0.00 C ATOM 810 CD LYS A 54 7.857 11.814 -0.196 1.00 0.00 C ATOM 811 CE LYS A 54 6.988 13.036 -0.502 1.00 0.00 C ATOM 812 NZ LYS A 54 5.784 13.022 0.376 1.00 0.00 N ATOM 0 H LYS A 54 6.489 7.173 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 54 8.177 9.094 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.029 9.194 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.777 9.275 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.739 11.103 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.987 11.051 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.467 11.286 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.872 12.128 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.558 13.951 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.687 13.029 -1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.193 13.852 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.237 12.155 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.081 13.049 1.372 1.00 0.00 H new ATOM 826 N SER A 55 10.385 7.993 -2.255 1.00 0.00 N ATOM 827 CA SER A 55 11.591 7.123 -2.121 1.00 0.00 C ATOM 828 C SER A 55 11.641 6.432 -0.750 1.00 0.00 C ATOM 829 O SER A 55 11.810 5.232 -0.663 1.00 0.00 O ATOM 830 CB SER A 55 12.845 7.980 -2.294 1.00 0.00 C ATOM 831 OG SER A 55 13.948 7.142 -2.612 1.00 0.00 O ATOM 0 H SER A 55 10.575 8.940 -2.583 1.00 0.00 H new ATOM 0 HA SER A 55 11.541 6.351 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.691 8.714 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.048 8.536 -1.379 1.00 0.00 H new ATOM 0 HG SER A 55 14.753 7.690 -2.725 1.00 0.00 H new ATOM 837 N SER A 56 11.529 7.169 0.322 1.00 0.00 N ATOM 838 CA SER A 56 11.611 6.531 1.671 1.00 0.00 C ATOM 839 C SER A 56 10.216 6.374 2.277 1.00 0.00 C ATOM 840 O SER A 56 10.056 6.325 3.482 1.00 0.00 O ATOM 841 CB SER A 56 12.465 7.405 2.590 1.00 0.00 C ATOM 842 OG SER A 56 13.740 6.799 2.761 1.00 0.00 O ATOM 0 H SER A 56 11.385 8.179 0.325 1.00 0.00 H new ATOM 0 HA SER A 56 12.061 5.544 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.577 8.401 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.974 7.526 3.556 1.00 0.00 H new ATOM 0 HG SER A 56 14.291 7.357 3.348 1.00 0.00 H new ATOM 848 N THR A 57 9.205 6.292 1.466 1.00 0.00 N ATOM 849 CA THR A 57 7.831 6.140 2.023 1.00 0.00 C ATOM 850 C THR A 57 6.847 6.013 0.871 1.00 0.00 C ATOM 851 O THR A 57 7.237 5.865 -0.264 1.00 0.00 O ATOM 852 CB THR A 57 7.489 7.391 2.842 1.00 0.00 C ATOM 853 OG1 THR A 57 6.309 7.171 3.599 1.00 0.00 O ATOM 854 CG2 THR A 57 7.267 8.565 1.893 1.00 0.00 C ATOM 0 H THR A 57 9.265 6.323 0.448 1.00 0.00 H new ATOM 0 HA THR A 57 7.776 5.255 2.657 1.00 0.00 H new ATOM 0 HB THR A 57 8.312 7.611 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.100 7.975 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.023 9.458 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.174 8.742 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.445 8.335 1.216 1.00 0.00 H new ATOM 862 N THR A 58 5.578 6.088 1.144 1.00 0.00 N ATOM 863 CA THR A 58 4.593 6.002 0.042 1.00 0.00 C ATOM 864 C THR A 58 3.177 6.078 0.603 1.00 0.00 C ATOM 865 O THR A 58 2.924 5.733 1.737 1.00 0.00 O ATOM 866 CB THR A 58 4.765 4.685 -0.715 1.00 0.00 C ATOM 867 OG1 THR A 58 4.009 4.735 -1.913 1.00 0.00 O ATOM 868 CG2 THR A 58 4.268 3.529 0.149 1.00 0.00 C ATOM 0 H THR A 58 5.184 6.204 2.078 1.00 0.00 H new ATOM 0 HA THR A 58 4.760 6.835 -0.640 1.00 0.00 H new ATOM 0 HB THR A 58 5.819 4.534 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.142 3.906 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.391 2.591 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.843 3.493 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.214 3.677 0.383 1.00 0.00 H new ATOM 876 N SER A 59 2.250 6.514 -0.198 1.00 0.00 N ATOM 877 CA SER A 59 0.839 6.602 0.259 1.00 0.00 C ATOM 878 C SER A 59 -0.046 6.558 -0.969 1.00 0.00 C ATOM 879 O SER A 59 0.293 7.086 -2.005 1.00 0.00 O ATOM 880 CB SER A 59 0.611 7.904 1.027 1.00 0.00 C ATOM 881 OG SER A 59 1.481 7.945 2.150 1.00 0.00 O ATOM 0 H SER A 59 2.411 6.816 -1.159 1.00 0.00 H new ATOM 0 HA SER A 59 0.605 5.774 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.796 8.760 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.427 7.970 1.354 1.00 0.00 H new ATOM 0 HG SER A 59 1.861 7.054 2.302 1.00 0.00 H new ATOM 887 N ILE A 60 -1.161 5.906 -0.887 1.00 0.00 N ATOM 888 CA ILE A 60 -2.011 5.811 -2.090 1.00 0.00 C ATOM 889 C ILE A 60 -3.443 6.244 -1.769 1.00 0.00 C ATOM 890 O ILE A 60 -3.834 6.354 -0.623 1.00 0.00 O ATOM 891 CB ILE A 60 -1.897 4.381 -2.636 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.751 3.409 -1.821 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.428 3.943 -2.526 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.554 1.988 -2.363 1.00 0.00 C ATOM 0 H ILE A 60 -1.517 5.441 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.677 6.494 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.245 4.369 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.469 3.452 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.802 3.691 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.321 2.928 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.198 4.618 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.117 3.972 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.161 1.291 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.857 1.952 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.503 1.709 -2.280 1.00 0.00 H new ATOM 906 N PHE A 61 -4.186 6.599 -2.783 1.00 0.00 N ATOM 907 CA PHE A 61 -5.551 7.155 -2.561 1.00 0.00 C ATOM 908 C PHE A 61 -6.688 6.198 -2.922 1.00 0.00 C ATOM 909 O PHE A 61 -6.540 5.295 -3.717 1.00 0.00 O ATOM 910 CB PHE A 61 -5.663 8.392 -3.436 1.00 0.00 C ATOM 911 CG PHE A 61 -5.398 9.598 -2.598 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.207 9.684 -1.879 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.337 10.623 -2.538 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.947 10.801 -1.094 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.087 11.747 -1.754 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.888 11.841 -1.027 1.00 0.00 C ATOM 0 H PHE A 61 -3.904 6.527 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.660 7.360 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.949 8.339 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.657 8.452 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.486 8.882 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.257 10.547 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.024 10.869 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.813 12.545 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.691 12.711 -0.418 1.00 0.00 H new ATOM 926 N PHE A 62 -7.843 6.448 -2.337 1.00 0.00 N ATOM 927 CA PHE A 62 -9.063 5.627 -2.608 1.00 0.00 C ATOM 928 C PHE A 62 -10.301 6.544 -2.630 1.00 0.00 C ATOM 929 O PHE A 62 -11.298 6.213 -2.021 1.00 0.00 O ATOM 930 CB PHE A 62 -9.319 4.632 -1.473 1.00 0.00 C ATOM 931 CG PHE A 62 -8.186 3.657 -1.279 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.903 4.107 -0.954 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.441 2.285 -1.389 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.873 3.183 -0.745 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.412 1.363 -1.183 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.127 1.811 -0.861 1.00 0.00 C ATOM 0 H PHE A 62 -7.988 7.205 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.902 5.112 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.482 5.181 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.235 4.079 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.707 5.165 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.434 1.939 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.881 3.529 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.609 0.305 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.331 1.099 -0.702 1.00 0.00 H new ATOM 946 N PRO A 63 -10.222 7.657 -3.312 1.00 0.00 N ATOM 947 CA PRO A 63 -11.356 8.601 -3.399 1.00 0.00 C ATOM 948 C PRO A 63 -12.522 7.953 -4.137 1.00 0.00 C ATOM 949 O PRO A 63 -13.642 8.422 -4.102 1.00 0.00 O ATOM 950 CB PRO A 63 -10.776 9.799 -4.154 1.00 0.00 C ATOM 951 CG PRO A 63 -9.539 9.263 -4.900 1.00 0.00 C ATOM 952 CD PRO A 63 -9.032 8.077 -4.063 1.00 0.00 C ATOM 0 HA PRO A 63 -11.758 8.897 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.505 10.213 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.502 10.600 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.797 8.947 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.773 10.033 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.651 7.274 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.221 8.372 -3.398 1.00 0.00 H new ATOM 960 N SER A 64 -12.265 6.858 -4.781 1.00 0.00 N ATOM 961 CA SER A 64 -13.348 6.137 -5.502 1.00 0.00 C ATOM 962 C SER A 64 -13.434 4.710 -4.952 1.00 0.00 C ATOM 963 O SER A 64 -13.405 3.748 -5.693 1.00 0.00 O ATOM 964 CB SER A 64 -13.030 6.091 -6.998 1.00 0.00 C ATOM 965 OG SER A 64 -13.795 7.082 -7.671 1.00 0.00 O ATOM 0 H SER A 64 -11.344 6.424 -4.842 1.00 0.00 H new ATOM 0 HA SER A 64 -14.298 6.652 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.966 6.263 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.258 5.104 -7.400 1.00 0.00 H new ATOM 0 HG SER A 64 -13.593 7.057 -8.630 1.00 0.00 H new ATOM 971 N ALA A 65 -13.525 4.561 -3.652 1.00 0.00 N ATOM 972 CA ALA A 65 -13.593 3.191 -3.069 1.00 0.00 C ATOM 973 C ALA A 65 -15.045 2.737 -2.946 1.00 0.00 C ATOM 974 O ALA A 65 -15.930 3.506 -2.607 1.00 0.00 O ATOM 975 CB ALA A 65 -12.953 3.179 -1.686 1.00 0.00 C ATOM 0 H ALA A 65 -13.555 5.325 -2.977 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.055 2.511 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.008 2.174 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.909 3.483 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.484 3.872 -1.033 1.00 0.00 H new ATOM 981 N LYS A 66 -15.279 1.478 -3.208 1.00 0.00 N ATOM 982 CA LYS A 66 -16.657 0.921 -3.113 1.00 0.00 C ATOM 983 C LYS A 66 -16.591 -0.513 -2.587 1.00 0.00 C ATOM 984 O LYS A 66 -15.529 -1.043 -2.334 1.00 0.00 O ATOM 985 CB LYS A 66 -17.308 0.926 -4.499 1.00 0.00 C ATOM 986 CG LYS A 66 -16.928 2.210 -5.240 1.00 0.00 C ATOM 987 CD LYS A 66 -17.241 2.053 -6.729 1.00 0.00 C ATOM 988 CE LYS A 66 -16.081 1.337 -7.423 1.00 0.00 C ATOM 989 NZ LYS A 66 -15.478 2.241 -8.444 1.00 0.00 N ATOM 0 H LYS A 66 -14.564 0.806 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.249 1.532 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.982 0.056 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.392 0.856 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.479 3.056 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.868 2.422 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.162 1.486 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.402 3.031 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.329 1.046 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.436 0.422 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.689 1.754 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.198 2.498 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.125 3.102 -7.980 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.720 -1.144 -2.417 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.725 -2.543 -1.904 1.00 0.00 C ATOM 1005 C ARG A 67 -16.637 -3.357 -2.610 1.00 0.00 C ATOM 1006 O ARG A 67 -15.945 -4.145 -1.998 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.092 -3.178 -2.173 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.124 -4.588 -1.580 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.503 -5.209 -1.813 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.920 -5.961 -0.595 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.117 -5.793 -0.101 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.121 -5.536 -0.894 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.309 -5.884 1.187 1.00 0.00 N ATOM 0 H ARG A 67 -18.641 -0.751 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.529 -2.535 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.881 -2.569 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.282 -3.218 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.353 -5.205 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.906 -4.550 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.231 -4.430 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.472 -5.877 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.270 -6.607 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.971 -5.466 -1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -24.056 -5.405 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.524 -6.086 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.244 -5.753 1.574 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.487 -3.179 -3.894 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.453 -3.946 -4.638 1.00 0.00 C ATOM 1029 C ALA A 68 -14.071 -3.690 -4.027 1.00 0.00 C ATOM 1030 O ALA A 68 -13.296 -4.603 -3.820 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.449 -3.506 -6.104 1.00 0.00 C ATOM 0 H ALA A 68 -17.038 -2.533 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.682 -5.010 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.691 -4.068 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.428 -3.695 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.224 -2.441 -6.164 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.756 -2.456 -3.743 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.423 -2.141 -3.152 1.00 0.00 C ATOM 1039 C ASP A 69 -12.105 -3.132 -2.031 1.00 0.00 C ATOM 1040 O ASP A 69 -10.958 -3.379 -1.716 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.445 -0.721 -2.581 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.617 0.202 -3.477 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.080 0.513 -4.562 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.535 0.583 -3.062 1.00 0.00 O ATOM 0 H ASP A 69 -14.364 -1.651 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.659 -2.216 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.471 -0.359 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.043 -0.719 -1.568 1.00 0.00 H new ATOM 1049 N SER A 70 -13.110 -3.699 -1.424 1.00 0.00 N ATOM 1050 CA SER A 70 -12.866 -4.671 -0.320 1.00 0.00 C ATOM 1051 C SER A 70 -11.856 -5.726 -0.775 1.00 0.00 C ATOM 1052 O SER A 70 -12.218 -6.754 -1.313 1.00 0.00 O ATOM 1053 CB SER A 70 -14.181 -5.354 0.058 1.00 0.00 C ATOM 1054 OG SER A 70 -15.134 -4.366 0.425 1.00 0.00 O ATOM 0 H SER A 70 -14.092 -3.531 -1.645 1.00 0.00 H new ATOM 0 HA SER A 70 -12.468 -4.141 0.545 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.554 -5.941 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.020 -6.046 0.885 1.00 0.00 H new ATOM 0 HG SER A 70 -15.722 -4.180 -0.337 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.593 -5.481 -0.563 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.560 -6.469 -0.981 1.00 0.00 C ATOM 1062 C GLY A 71 -8.366 -6.399 -0.026 1.00 0.00 C ATOM 1063 O GLY A 71 -8.383 -5.682 0.959 1.00 0.00 O ATOM 0 H GLY A 71 -10.231 -4.638 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.982 -7.474 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.236 -6.262 -2.001 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.324 -7.129 -0.312 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.134 -7.094 0.575 1.00 0.00 C ATOM 1069 C ASN A 72 -5.053 -6.253 -0.095 1.00 0.00 C ATOM 1070 O ASN A 72 -4.353 -6.710 -0.971 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.617 -8.517 0.796 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.798 -9.487 0.867 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.537 -9.493 1.832 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -7.009 -10.314 -0.120 1.00 0.00 N ATOM 0 H ASN A 72 -7.247 -7.746 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.399 -6.660 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.948 -8.802 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.038 -8.565 1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.794 -10.965 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.389 -10.310 -0.930 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.914 -5.024 0.304 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.880 -4.158 -0.318 1.00 0.00 C ATOM 1083 C TYR A 73 -2.518 -4.512 0.273 1.00 0.00 C ATOM 1084 O TYR A 73 -2.207 -4.163 1.392 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.226 -2.694 -0.043 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.407 -2.314 -0.903 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.639 -2.956 -0.729 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.262 -1.341 -1.894 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.726 -2.617 -1.544 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.345 -1.006 -2.714 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.578 -1.644 -2.538 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.648 -1.313 -3.345 1.00 0.00 O ATOM 0 H TYR A 73 -5.472 -4.581 1.034 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.847 -4.314 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.463 -2.552 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.372 -2.054 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.751 -3.712 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.312 -0.846 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.679 -3.107 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.230 -0.256 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.142 -0.567 -2.944 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.707 -5.218 -0.469 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.370 -5.612 0.057 1.00 0.00 C ATOM 1104 C LYS A 74 0.712 -4.808 -0.655 1.00 0.00 C ATOM 1105 O LYS A 74 0.834 -4.848 -1.860 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.144 -7.105 -0.194 1.00 0.00 C ATOM 1107 CG LYS A 74 0.767 -7.677 0.894 1.00 0.00 C ATOM 1108 CD LYS A 74 1.267 -9.059 0.467 1.00 0.00 C ATOM 1109 CE LYS A 74 0.263 -10.126 0.907 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.555 -10.536 2.310 1.00 0.00 N ATOM 0 H LYS A 74 -1.913 -5.538 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.326 -5.412 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.098 -7.632 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.306 -7.255 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.612 -7.009 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.224 -7.750 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.397 -9.092 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.242 -9.257 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.753 -9.737 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.321 -10.990 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.128 -11.261 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.518 -10.924 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.478 -9.709 2.936 1.00 0.00 H new ATOM 1124 N LEU A 75 1.497 -4.075 0.082 1.00 0.00 N ATOM 1125 CA LEU A 75 2.568 -3.261 -0.553 1.00 0.00 C ATOM 1126 C LEU A 75 3.926 -3.912 -0.288 1.00 0.00 C ATOM 1127 O LEU A 75 4.167 -4.461 0.767 1.00 0.00 O ATOM 1128 CB LEU A 75 2.531 -1.851 0.044 1.00 0.00 C ATOM 1129 CG LEU A 75 3.830 -1.104 -0.254 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.536 0.117 -1.122 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.451 -0.646 1.064 1.00 0.00 C ATOM 0 H LEU A 75 1.443 -4.004 1.098 1.00 0.00 H new ATOM 0 HA LEU A 75 2.411 -3.204 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.686 -1.299 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.379 -1.911 1.122 1.00 0.00 H new ATOM 0 HG LEU A 75 4.518 -1.764 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.465 0.647 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.082 -0.204 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.851 0.781 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.379 -0.111 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.757 0.015 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.661 -1.514 1.689 1.00 0.00 H new ATOM 1143 N LYS A 76 4.814 -3.856 -1.242 1.00 0.00 N ATOM 1144 CA LYS A 76 6.155 -4.472 -1.043 1.00 0.00 C ATOM 1145 C LYS A 76 7.234 -3.553 -1.620 1.00 0.00 C ATOM 1146 O LYS A 76 7.374 -3.422 -2.821 1.00 0.00 O ATOM 1147 CB LYS A 76 6.202 -5.825 -1.756 1.00 0.00 C ATOM 1148 CG LYS A 76 5.468 -5.723 -3.094 1.00 0.00 C ATOM 1149 CD LYS A 76 6.010 -6.782 -4.057 1.00 0.00 C ATOM 1150 CE LYS A 76 5.512 -8.164 -3.630 1.00 0.00 C ATOM 1151 NZ LYS A 76 6.242 -9.213 -4.397 1.00 0.00 N ATOM 0 H LYS A 76 4.669 -3.411 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 76 6.335 -4.614 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.237 -6.126 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.741 -6.592 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.398 -5.866 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.601 -4.728 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.684 -6.565 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.100 -6.762 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.669 -8.305 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.440 -8.247 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.904 -10.153 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.071 -9.082 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.261 -9.137 -4.205 1.00 0.00 H new ATOM 1165 N VAL A 77 8.001 -2.916 -0.776 1.00 0.00 N ATOM 1166 CA VAL A 77 9.072 -2.011 -1.281 1.00 0.00 C ATOM 1167 C VAL A 77 10.435 -2.657 -1.039 1.00 0.00 C ATOM 1168 O VAL A 77 10.785 -3.001 0.072 1.00 0.00 O ATOM 1169 CB VAL A 77 8.987 -0.659 -0.566 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.521 -0.307 -0.348 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.696 -0.724 0.791 1.00 0.00 C ATOM 0 H VAL A 77 7.932 -2.983 0.239 1.00 0.00 H new ATOM 0 HA VAL A 77 8.941 -1.847 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 77 9.472 0.099 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.449 0.654 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.014 -0.247 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.049 -1.077 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.626 0.245 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.222 -1.484 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.745 -0.980 0.642 1.00 0.00 H new ATOM 1181 N LYS A 78 11.202 -2.828 -2.075 1.00 0.00 N ATOM 1182 CA LYS A 78 12.542 -3.460 -1.915 1.00 0.00 C ATOM 1183 C LYS A 78 13.633 -2.500 -2.394 1.00 0.00 C ATOM 1184 O LYS A 78 13.373 -1.549 -3.106 1.00 0.00 O ATOM 1185 CB LYS A 78 12.599 -4.746 -2.742 1.00 0.00 C ATOM 1186 CG LYS A 78 11.373 -5.607 -2.433 1.00 0.00 C ATOM 1187 CD LYS A 78 10.943 -6.357 -3.695 1.00 0.00 C ATOM 1188 CE LYS A 78 12.094 -7.239 -4.182 1.00 0.00 C ATOM 1189 NZ LYS A 78 11.791 -7.739 -5.554 1.00 0.00 N ATOM 0 H LYS A 78 10.961 -2.558 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 78 12.705 -3.691 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.629 -4.506 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.511 -5.298 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.604 -6.315 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.557 -4.980 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.065 -6.969 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.660 -5.648 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.024 -6.671 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.237 -8.078 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.573 -8.339 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.912 -8.295 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.676 -6.932 -6.200 1.00 0.00 H new ATOM 1203 N ASN A 79 14.855 -2.748 -2.007 1.00 0.00 N ATOM 1204 CA ASN A 79 15.973 -1.862 -2.434 1.00 0.00 C ATOM 1205 C ASN A 79 17.148 -2.724 -2.904 1.00 0.00 C ATOM 1206 O ASN A 79 18.241 -2.638 -2.382 1.00 0.00 O ATOM 1207 CB ASN A 79 16.415 -0.993 -1.254 1.00 0.00 C ATOM 1208 CG ASN A 79 17.511 -0.026 -1.709 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.444 0.238 -0.977 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.437 0.517 -2.893 1.00 0.00 N ATOM 0 H ASN A 79 15.127 -3.530 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 79 15.641 -1.220 -3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.565 -0.436 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.785 -1.622 -0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.162 1.163 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 79 16.654 0.295 -3.508 1.00 0.00 H new ATOM 1217 N GLU A 80 16.926 -3.551 -3.889 1.00 0.00 N ATOM 1218 CA GLU A 80 18.020 -4.422 -4.407 1.00 0.00 C ATOM 1219 C GLU A 80 18.699 -5.168 -3.251 1.00 0.00 C ATOM 1220 O GLU A 80 18.337 -6.281 -2.926 1.00 0.00 O ATOM 1221 CB GLU A 80 19.049 -3.558 -5.137 1.00 0.00 C ATOM 1222 CG GLU A 80 19.007 -3.872 -6.634 1.00 0.00 C ATOM 1223 CD GLU A 80 20.424 -4.163 -7.133 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.279 -3.310 -6.959 1.00 0.00 O ATOM 1225 OE2 GLU A 80 20.630 -5.233 -7.681 1.00 0.00 O ATOM 0 H GLU A 80 16.028 -3.662 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 80 17.598 -5.154 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 80 18.837 -2.502 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.047 -3.750 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.361 -4.731 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.583 -3.030 -7.181 1.00 0.00 H new ATOM 1232 N LEU A 81 19.688 -4.574 -2.638 1.00 0.00 N ATOM 1233 CA LEU A 81 20.394 -5.262 -1.519 1.00 0.00 C ATOM 1234 C LEU A 81 19.520 -5.262 -0.261 1.00 0.00 C ATOM 1235 O LEU A 81 19.910 -5.765 0.773 1.00 0.00 O ATOM 1236 CB LEU A 81 21.709 -4.536 -1.226 1.00 0.00 C ATOM 1237 CG LEU A 81 22.614 -4.605 -2.457 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.978 -3.996 -2.126 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.797 -6.066 -2.873 1.00 0.00 C ATOM 0 H LEU A 81 20.037 -3.643 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 81 20.598 -6.293 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.512 -3.496 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.206 -4.992 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 81 22.157 -4.047 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.622 -4.046 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 81 23.849 -2.955 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 81 24.436 -4.552 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.442 -6.116 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.253 -6.623 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.826 -6.501 -3.111 1.00 0.00 H new ATOM 1251 N GLY A 82 18.342 -4.705 -0.335 1.00 0.00 N ATOM 1252 CA GLY A 82 17.457 -4.684 0.867 1.00 0.00 C ATOM 1253 C GLY A 82 16.039 -5.095 0.469 1.00 0.00 C ATOM 1254 O GLY A 82 15.746 -5.298 -0.692 1.00 0.00 O ATOM 0 H GLY A 82 17.955 -4.266 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.843 -5.363 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.447 -3.686 1.306 1.00 0.00 H new ATOM 1258 N GLU A 83 15.153 -5.219 1.421 1.00 0.00 N ATOM 1259 CA GLU A 83 13.757 -5.613 1.084 1.00 0.00 C ATOM 1260 C GLU A 83 12.840 -5.391 2.289 1.00 0.00 C ATOM 1261 O GLU A 83 13.184 -5.695 3.414 1.00 0.00 O ATOM 1262 CB GLU A 83 13.717 -7.089 0.687 1.00 0.00 C ATOM 1263 CG GLU A 83 14.375 -7.933 1.781 1.00 0.00 C ATOM 1264 CD GLU A 83 15.208 -9.044 1.138 1.00 0.00 C ATOM 1265 OE1 GLU A 83 15.691 -8.834 0.037 1.00 0.00 O ATOM 1266 OE2 GLU A 83 15.349 -10.085 1.758 1.00 0.00 O ATOM 0 H GLU A 83 15.336 -5.065 2.413 1.00 0.00 H new ATOM 0 HA GLU A 83 13.412 -4.999 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.685 -7.408 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.236 -7.235 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.009 -7.305 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.613 -8.365 2.430 1.00 0.00 H new ATOM 1273 N ASP A 84 11.670 -4.870 2.050 1.00 0.00 N ATOM 1274 CA ASP A 84 10.705 -4.626 3.157 1.00 0.00 C ATOM 1275 C ASP A 84 9.303 -4.485 2.558 1.00 0.00 C ATOM 1276 O ASP A 84 9.148 -4.070 1.428 1.00 0.00 O ATOM 1277 CB ASP A 84 11.086 -3.343 3.898 1.00 0.00 C ATOM 1278 CG ASP A 84 11.689 -3.699 5.259 1.00 0.00 C ATOM 1279 OD1 ASP A 84 12.883 -3.946 5.309 1.00 0.00 O ATOM 1280 OD2 ASP A 84 10.947 -3.716 6.227 1.00 0.00 O ATOM 0 H ASP A 84 11.337 -4.600 1.124 1.00 0.00 H new ATOM 0 HA ASP A 84 10.725 -5.457 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.803 -2.770 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.207 -2.713 4.032 1.00 0.00 H new ATOM 1285 N GLU A 85 8.282 -4.833 3.292 1.00 0.00 N ATOM 1286 CA GLU A 85 6.904 -4.721 2.736 1.00 0.00 C ATOM 1287 C GLU A 85 5.890 -4.600 3.876 1.00 0.00 C ATOM 1288 O GLU A 85 6.157 -4.973 5.000 1.00 0.00 O ATOM 1289 CB GLU A 85 6.589 -5.972 1.915 1.00 0.00 C ATOM 1290 CG GLU A 85 7.770 -6.299 1.000 1.00 0.00 C ATOM 1291 CD GLU A 85 7.428 -7.521 0.145 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.427 -8.157 0.430 1.00 0.00 O ATOM 1293 OE2 GLU A 85 8.173 -7.801 -0.779 1.00 0.00 O ATOM 0 H GLU A 85 8.341 -5.188 4.246 1.00 0.00 H new ATOM 0 HA GLU A 85 6.843 -3.835 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.387 -6.813 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.690 -5.812 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.996 -5.446 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.662 -6.496 1.595 1.00 0.00 H new ATOM 1300 N ALA A 86 4.724 -4.087 3.589 1.00 0.00 N ATOM 1301 CA ALA A 86 3.687 -3.948 4.649 1.00 0.00 C ATOM 1302 C ALA A 86 2.371 -4.550 4.153 1.00 0.00 C ATOM 1303 O ALA A 86 2.018 -4.433 2.995 1.00 0.00 O ATOM 1304 CB ALA A 86 3.479 -2.469 4.974 1.00 0.00 C ATOM 0 H ALA A 86 4.445 -3.758 2.665 1.00 0.00 H new ATOM 0 HA ALA A 86 4.014 -4.472 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.720 -2.370 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.416 -2.039 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.152 -1.942 4.078 1.00 0.00 H new ATOM 1310 N ILE A 87 1.644 -5.195 5.022 1.00 0.00 N ATOM 1311 CA ILE A 87 0.352 -5.807 4.606 1.00 0.00 C ATOM 1312 C ILE A 87 -0.799 -4.877 5.000 1.00 0.00 C ATOM 1313 O ILE A 87 -0.908 -4.453 6.134 1.00 0.00 O ATOM 1314 CB ILE A 87 0.192 -7.162 5.300 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.913 -7.971 4.605 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.161 -6.949 6.775 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.293 -7.491 5.066 1.00 0.00 C ATOM 0 H ILE A 87 1.889 -5.325 6.004 1.00 0.00 H new ATOM 0 HA ILE A 87 0.339 -5.952 3.526 1.00 0.00 H new ATOM 0 HB ILE A 87 1.130 -7.714 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.826 -7.864 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.795 -9.031 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.274 -7.916 7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.635 -6.386 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.096 -6.393 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.067 -8.073 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.382 -7.621 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.414 -6.437 4.817 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.657 -4.556 4.072 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.800 -3.652 4.389 1.00 0.00 C ATOM 1331 C PHE A 88 -4.114 -4.306 3.949 1.00 0.00 C ATOM 1332 O PHE A 88 -4.489 -4.243 2.795 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.636 -2.322 3.644 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.313 -1.686 3.998 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.091 -1.204 5.293 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.310 -1.570 3.027 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.133 -0.609 5.618 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.914 -0.976 3.353 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.136 -0.495 4.648 1.00 0.00 C ATOM 0 H PHE A 88 -1.617 -4.881 3.106 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.817 -3.471 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.691 -2.490 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.453 -1.648 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.865 -1.291 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.482 -1.939 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.304 -0.238 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.688 -0.889 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.081 -0.036 4.899 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.830 -4.914 4.856 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.126 -5.541 4.468 1.00 0.00 C ATOM 1351 C GLU A 89 -7.172 -4.433 4.373 1.00 0.00 C ATOM 1352 O GLU A 89 -7.547 -3.842 5.364 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.551 -6.561 5.529 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.352 -7.426 5.923 1.00 0.00 C ATOM 1355 CD GLU A 89 -5.344 -8.705 5.083 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.049 -8.612 3.902 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -5.633 -9.754 5.633 1.00 0.00 O ATOM 0 H GLU A 89 -4.577 -5.003 5.840 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.026 -6.056 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.944 -6.046 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.353 -7.189 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.426 -6.873 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.403 -7.675 6.983 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.629 -4.121 3.191 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.623 -3.021 3.056 1.00 0.00 C ATOM 1366 C VAL A 90 -10.017 -3.587 2.787 1.00 0.00 C ATOM 1367 O VAL A 90 -10.212 -4.400 1.907 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.208 -2.107 1.901 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.183 -0.933 1.796 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.797 -1.573 2.160 1.00 0.00 C ATOM 0 H VAL A 90 -7.359 -4.577 2.319 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.653 -2.454 3.986 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.222 -2.672 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.884 -0.284 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.189 -1.311 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.171 -0.366 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.498 -0.921 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.787 -1.009 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.100 -2.408 2.233 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.990 -3.146 3.537 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.379 -3.636 3.325 1.00 0.00 C ATOM 1382 C ILE A 91 -13.289 -2.438 3.047 1.00 0.00 C ATOM 1383 O ILE A 91 -12.912 -1.302 3.255 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.869 -4.367 4.576 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.176 -5.728 4.677 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.381 -4.573 4.481 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.004 -5.632 5.655 1.00 0.00 C ATOM 0 H ILE A 91 -10.881 -2.466 4.289 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.399 -4.324 2.480 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.635 -3.774 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.884 -6.485 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.820 -6.040 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.734 -5.094 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.876 -3.605 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.612 -5.167 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.510 -6.601 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.292 -4.888 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.373 -5.339 6.638 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.481 -2.677 2.575 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.399 -1.544 2.283 1.00 0.00 C ATOM 1401 C VAL A 92 -16.772 -1.816 2.898 1.00 0.00 C ATOM 1402 O VAL A 92 -17.279 -2.919 2.850 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.533 -1.385 0.771 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.167 -0.030 0.452 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.142 -1.460 0.139 1.00 0.00 C ATOM 0 H VAL A 92 -14.857 -3.605 2.380 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.995 -0.628 2.713 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.164 -2.179 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.262 0.082 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.154 0.027 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.537 0.768 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.227 -1.347 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.517 -0.662 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.689 -2.425 0.369 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.377 -0.816 3.478 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.717 -1.013 4.098 1.00 0.00 C ATOM 1417 C GLN A 93 -19.789 -0.392 3.199 1.00 0.00 C ATOM 1418 O GLN A 93 -20.646 -1.128 2.739 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.748 -0.339 5.471 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.022 -1.219 6.491 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.041 -2.086 7.234 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.868 -1.579 7.965 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.015 -3.381 7.077 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.734 0.808 2.988 1.00 0.00 O ATOM 0 H GLN A 93 -17.001 0.129 3.549 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.912 -2.079 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.273 0.641 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.779 -0.176 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -17.290 -1.850 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.473 -0.597 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.320 -3.806 6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -19.689 -3.968 7.568 1.00 0.00 H new TER 1433 GLN A 93