USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 66 ASN : amide:sc= -0.227 X(o=-3.1,f=-2.9) USER MOD Set 1.2: A 87 SER OG : rot -70:sc= -2.84 USER MOD Set 2.1: A 43 SER OG : rot 142:sc= -2.51! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -11.7! C(o=-14!,f=-20!) USER MOD Set 3.1: A 10 SER OG : rot 104:sc= 0.92 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0.994 USER MOD Single : A 1 SER N :NH3+ -163:sc= -0.386 (180deg=-0.641) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 23 ASN : amide:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 25 THR OG1 : rot 25:sc= 0.324 USER MOD Single : A 33 SER OG : rot 110:sc= -1.22 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -23:sc= 0.905 USER MOD Single : A 48 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 53 TYR OH : rot 25:sc= 0.183! USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -1.35 (180deg=-4.28!) USER MOD Single : A 64 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-6.1!) USER MOD Single : A 70 SER OG : rot 107:sc= -0.37 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.4) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-7.5!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 88 HIS : no HE2:sc= -17.9! C(o=-18!,f=-18!) USER MOD Single : A 96 CYS SG : rot -8:sc= -4.38! USER MOD Single : A 98 LYS NZ :NH3+ -133:sc= -0.307 (180deg=-2.15!) USER MOD Single : A 99 HIS : no HE2:sc= -4.72 K(o=-4.7,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.210 6.308 3.668 1.00 0.00 N ATOM 2 CA SER A 1 10.213 5.220 3.807 1.00 0.00 C ATOM 3 C SER A 1 9.559 3.848 3.680 1.00 0.00 C ATOM 4 O SER A 1 9.852 3.094 2.752 1.00 0.00 O ATOM 5 CB SER A 1 10.892 5.355 5.172 1.00 0.00 C ATOM 6 OG SER A 1 9.979 5.092 6.224 1.00 0.00 O ATOM 0 H1 SER A 1 9.697 7.206 3.470 1.00 0.00 H new ATOM 0 H2 SER A 1 8.562 6.085 2.885 1.00 0.00 H new ATOM 0 H3 SER A 1 8.668 6.396 4.551 1.00 0.00 H new ATOM 0 HA SER A 1 10.950 5.309 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.732 4.663 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.298 6.360 5.282 1.00 0.00 H new ATOM 0 HG SER A 1 10.437 5.183 7.085 1.00 0.00 H new ATOM 14 N GLU A 2 8.673 3.532 4.617 1.00 0.00 N ATOM 15 CA GLU A 2 7.976 2.252 4.612 1.00 0.00 C ATOM 16 C GLU A 2 6.491 2.442 4.927 1.00 0.00 C ATOM 17 O GLU A 2 6.142 3.064 5.926 1.00 0.00 O ATOM 18 CB GLU A 2 8.607 1.302 5.632 1.00 0.00 C ATOM 19 CG GLU A 2 8.751 -0.125 5.128 1.00 0.00 C ATOM 20 CD GLU A 2 10.191 -0.500 4.838 1.00 0.00 C ATOM 21 OE1 GLU A 2 10.973 0.397 4.456 1.00 0.00 O ATOM 22 OE2 GLU A 2 10.538 -1.689 4.992 1.00 0.00 O ATOM 0 H GLU A 2 8.420 4.146 5.391 1.00 0.00 H new ATOM 0 HA GLU A 2 8.067 1.818 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.591 1.681 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.000 1.299 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.344 -0.811 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.158 -0.247 4.222 1.00 0.00 H new ATOM 29 N PRO A 3 5.595 1.902 4.082 1.00 0.00 N ATOM 30 CA PRO A 3 4.148 2.018 4.290 1.00 0.00 C ATOM 31 C PRO A 3 3.719 1.422 5.627 1.00 0.00 C ATOM 32 O PRO A 3 4.003 0.259 5.914 1.00 0.00 O ATOM 33 CB PRO A 3 3.541 1.213 3.136 1.00 0.00 C ATOM 34 CG PRO A 3 4.650 0.370 2.610 1.00 0.00 C ATOM 35 CD PRO A 3 5.917 1.131 2.875 1.00 0.00 C ATOM 0 HA PRO A 3 3.824 3.059 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.711 0.597 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.148 1.872 2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.669 -0.601 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.524 0.183 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.763 0.462 3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.180 1.780 2.040 1.00 0.00 H new ATOM 43 N TRP A 4 3.041 2.218 6.445 1.00 0.00 N ATOM 44 CA TRP A 4 2.586 1.752 7.750 1.00 0.00 C ATOM 45 C TRP A 4 1.646 0.558 7.606 1.00 0.00 C ATOM 46 O TRP A 4 0.518 0.696 7.133 1.00 0.00 O ATOM 47 CB TRP A 4 1.889 2.885 8.508 1.00 0.00 C ATOM 48 CG TRP A 4 2.372 3.037 9.919 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.194 4.013 10.405 1.00 0.00 C ATOM 50 CD2 TRP A 4 2.066 2.184 11.027 1.00 0.00 C ATOM 51 NE1 TRP A 4 3.417 3.819 11.747 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.735 2.702 12.152 1.00 0.00 C ATOM 53 CE3 TRP A 4 1.288 1.031 11.177 1.00 0.00 C ATOM 54 CZ2 TRP A 4 2.650 2.107 13.408 1.00 0.00 C ATOM 55 CZ3 TRP A 4 1.205 0.442 12.425 1.00 0.00 C ATOM 56 CH2 TRP A 4 1.883 0.980 13.527 1.00 0.00 C ATOM 0 H TRP A 4 2.795 3.184 6.230 1.00 0.00 H new ATOM 0 HA TRP A 4 3.460 1.433 8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.047 3.822 7.974 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.815 2.701 8.517 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.609 4.820 9.820 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.996 4.410 12.344 1.00 0.00 H new ATOM 0 HE3 TRP A 4 0.762 0.609 10.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.171 2.521 14.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.607 -0.448 12.553 1.00 0.00 H new ATOM 0 HH2 TRP A 4 1.799 0.496 14.489 1.00 0.00 H new ATOM 67 N PHE A 5 2.122 -0.613 8.018 1.00 0.00 N ATOM 68 CA PHE A 5 1.329 -1.834 7.940 1.00 0.00 C ATOM 69 C PHE A 5 0.192 -1.804 8.953 1.00 0.00 C ATOM 70 O PHE A 5 0.412 -1.569 10.141 1.00 0.00 O ATOM 71 CB PHE A 5 2.210 -3.059 8.194 1.00 0.00 C ATOM 72 CG PHE A 5 3.162 -3.364 7.074 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.253 -2.544 6.830 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.969 -4.474 6.269 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.133 -2.827 5.802 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.844 -4.762 5.241 1.00 0.00 C ATOM 77 CZ PHE A 5 4.928 -3.937 5.006 1.00 0.00 C ATOM 0 H PHE A 5 3.055 -0.742 8.410 1.00 0.00 H new ATOM 0 HA PHE A 5 0.906 -1.898 6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.780 -2.901 9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.571 -3.926 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.417 -1.675 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.124 -5.122 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.980 -2.181 5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.682 -5.631 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.613 -4.160 4.202 1.00 0.00 H new ATOM 87 N PHE A 6 -1.022 -2.044 8.478 1.00 0.00 N ATOM 88 CA PHE A 6 -2.191 -2.044 9.343 1.00 0.00 C ATOM 89 C PHE A 6 -3.232 -3.031 8.833 1.00 0.00 C ATOM 90 O PHE A 6 -4.048 -2.694 7.977 1.00 0.00 O ATOM 91 CB PHE A 6 -2.795 -0.642 9.412 1.00 0.00 C ATOM 92 CG PHE A 6 -2.508 0.078 10.699 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.992 -0.408 11.902 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.755 1.240 10.703 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.730 0.254 13.087 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.491 1.906 11.884 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.979 1.413 13.078 1.00 0.00 C ATOM 0 H PHE A 6 -1.222 -2.241 7.497 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.880 -2.348 10.342 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.411 -0.050 8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.875 -0.714 9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.580 -1.314 11.915 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.370 1.630 9.772 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.112 -0.135 14.019 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.903 2.812 11.874 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.774 1.932 14.002 1.00 0.00 H new ATOM 107 N GLY A 7 -3.205 -4.246 9.369 1.00 0.00 N ATOM 108 CA GLY A 7 -4.153 -5.256 8.953 1.00 0.00 C ATOM 109 C GLY A 7 -5.491 -5.116 9.644 1.00 0.00 C ATOM 110 O GLY A 7 -6.332 -6.012 9.564 1.00 0.00 O ATOM 0 H GLY A 7 -2.543 -4.547 10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.297 -5.192 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.742 -6.244 9.162 1.00 0.00 H new ATOM 114 N CYS A 8 -5.695 -3.995 10.328 1.00 0.00 N ATOM 115 CA CYS A 8 -6.944 -3.765 11.031 1.00 0.00 C ATOM 116 C CYS A 8 -7.649 -2.499 10.539 1.00 0.00 C ATOM 117 O CYS A 8 -8.761 -2.198 10.971 1.00 0.00 O ATOM 118 CB CYS A 8 -6.697 -3.674 12.537 1.00 0.00 C ATOM 119 SG CYS A 8 -6.806 -5.259 13.400 1.00 0.00 S ATOM 0 H CYS A 8 -5.015 -3.239 10.408 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.597 -4.612 10.822 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.709 -3.247 12.707 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.421 -2.985 12.972 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.580 -5.079 14.668 1.00 0.00 H new ATOM 125 N ILE A 9 -7.006 -1.761 9.636 1.00 0.00 N ATOM 126 CA ILE A 9 -7.594 -0.537 9.103 1.00 0.00 C ATOM 127 C ILE A 9 -8.572 -0.844 7.975 1.00 0.00 C ATOM 128 O ILE A 9 -8.253 -1.591 7.050 1.00 0.00 O ATOM 129 CB ILE A 9 -6.523 0.442 8.578 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.765 -0.166 7.393 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.558 0.832 9.685 1.00 0.00 C ATOM 132 CD1 ILE A 9 -6.022 0.557 6.092 1.00 0.00 C ATOM 0 H ILE A 9 -6.085 -1.988 9.261 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.122 -0.066 9.932 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.030 1.343 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.696 -0.150 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.052 -1.212 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.812 1.522 9.291 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.107 1.314 10.494 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.061 -0.060 10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.457 0.079 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.086 0.518 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.709 1.597 6.186 1.00 0.00 H new ATOM 144 N SER A 10 -9.760 -0.255 8.051 1.00 0.00 N ATOM 145 CA SER A 10 -10.779 -0.460 7.030 1.00 0.00 C ATOM 146 C SER A 10 -10.567 0.505 5.870 1.00 0.00 C ATOM 147 O SER A 10 -9.771 1.439 5.968 1.00 0.00 O ATOM 148 CB SER A 10 -12.176 -0.269 7.622 1.00 0.00 C ATOM 149 OG SER A 10 -12.241 0.908 8.409 1.00 0.00 O ATOM 0 H SER A 10 -10.041 0.368 8.809 1.00 0.00 H new ATOM 0 HA SER A 10 -10.694 -1.481 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.910 -0.214 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.437 -1.133 8.233 1.00 0.00 H new ATOM 0 HG SER A 10 -12.714 1.608 7.912 1.00 0.00 H new ATOM 155 N ARG A 11 -11.276 0.277 4.771 1.00 0.00 N ATOM 156 CA ARG A 11 -11.154 1.134 3.597 1.00 0.00 C ATOM 157 C ARG A 11 -11.434 2.589 3.948 1.00 0.00 C ATOM 158 O ARG A 11 -10.961 3.506 3.278 1.00 0.00 O ATOM 159 CB ARG A 11 -12.105 0.666 2.492 1.00 0.00 C ATOM 160 CG ARG A 11 -11.493 0.726 1.101 1.00 0.00 C ATOM 161 CD ARG A 11 -11.068 -0.652 0.617 1.00 0.00 C ATOM 162 NE ARG A 11 -11.949 -1.160 -0.431 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.869 -0.797 -1.709 1.00 0.00 C ATOM 164 NH1 ARG A 11 -10.952 0.079 -2.102 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.708 -1.310 -2.599 1.00 0.00 N ATOM 0 H ARG A 11 -11.939 -0.491 4.668 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.128 1.062 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.416 -0.358 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.004 1.282 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.215 1.151 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.630 1.391 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.046 -0.605 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.066 -1.347 1.457 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.669 -1.833 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.304 0.478 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.896 0.353 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.415 -1.983 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.646 -1.031 -3.578 1.00 0.00 H new ATOM 179 N SER A 12 -12.202 2.786 5.007 1.00 0.00 N ATOM 180 CA SER A 12 -12.553 4.126 5.466 1.00 0.00 C ATOM 181 C SER A 12 -11.372 4.791 6.163 1.00 0.00 C ATOM 182 O SER A 12 -11.178 6.005 6.060 1.00 0.00 O ATOM 183 CB SER A 12 -13.751 4.065 6.416 1.00 0.00 C ATOM 184 OG SER A 12 -13.513 3.159 7.479 1.00 0.00 O ATOM 0 H SER A 12 -12.598 2.033 5.570 1.00 0.00 H new ATOM 0 HA SER A 12 -12.819 4.722 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.951 5.058 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.641 3.759 5.865 1.00 0.00 H new ATOM 0 HG SER A 12 -14.292 3.139 8.073 1.00 0.00 H new ATOM 190 N GLU A 13 -10.580 3.994 6.870 1.00 0.00 N ATOM 191 CA GLU A 13 -9.419 4.517 7.575 1.00 0.00 C ATOM 192 C GLU A 13 -8.263 4.741 6.623 1.00 0.00 C ATOM 193 O GLU A 13 -7.536 5.711 6.753 1.00 0.00 O ATOM 194 CB GLU A 13 -8.967 3.569 8.683 1.00 0.00 C ATOM 195 CG GLU A 13 -10.107 2.999 9.511 1.00 0.00 C ATOM 196 CD GLU A 13 -10.445 3.863 10.710 1.00 0.00 C ATOM 197 OE1 GLU A 13 -10.311 5.101 10.607 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.844 3.302 11.753 1.00 0.00 O ATOM 0 H GLU A 13 -10.720 2.989 6.969 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.718 5.467 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.408 2.746 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.281 4.099 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.991 2.895 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.839 1.999 9.852 1.00 0.00 H new ATOM 205 N ALA A 14 -8.088 3.835 5.672 1.00 0.00 N ATOM 206 CA ALA A 14 -6.999 3.947 4.718 1.00 0.00 C ATOM 207 C ALA A 14 -7.077 5.250 3.939 1.00 0.00 C ATOM 208 O ALA A 14 -6.059 5.899 3.710 1.00 0.00 O ATOM 209 CB ALA A 14 -6.994 2.752 3.777 1.00 0.00 C ATOM 0 H ALA A 14 -8.685 3.018 5.542 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.062 3.954 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.172 2.851 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.868 1.836 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.938 2.712 3.234 1.00 0.00 H new ATOM 215 N VAL A 15 -8.283 5.644 3.543 1.00 0.00 N ATOM 216 CA VAL A 15 -8.444 6.893 2.802 1.00 0.00 C ATOM 217 C VAL A 15 -8.073 8.078 3.680 1.00 0.00 C ATOM 218 O VAL A 15 -7.242 8.902 3.304 1.00 0.00 O ATOM 219 CB VAL A 15 -9.870 7.111 2.242 1.00 0.00 C ATOM 220 CG1 VAL A 15 -9.955 6.651 0.796 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.924 6.424 3.095 1.00 0.00 C ATOM 0 H VAL A 15 -9.147 5.131 3.717 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.773 6.816 1.947 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.076 8.181 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.966 6.813 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.248 7.219 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.712 5.590 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.911 6.602 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.728 5.352 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.890 6.825 4.108 1.00 0.00 H new ATOM 231 N ARG A 16 -8.686 8.153 4.857 1.00 0.00 N ATOM 232 CA ARG A 16 -8.402 9.241 5.788 1.00 0.00 C ATOM 233 C ARG A 16 -6.968 9.148 6.289 1.00 0.00 C ATOM 234 O ARG A 16 -6.288 10.157 6.487 1.00 0.00 O ATOM 235 CB ARG A 16 -9.379 9.208 6.967 1.00 0.00 C ATOM 236 CG ARG A 16 -9.892 10.582 7.369 1.00 0.00 C ATOM 237 CD ARG A 16 -11.388 10.562 7.642 1.00 0.00 C ATOM 238 NE ARG A 16 -12.161 11.025 6.492 1.00 0.00 N ATOM 239 CZ ARG A 16 -12.325 12.307 6.175 1.00 0.00 C ATOM 240 NH1 ARG A 16 -11.772 13.258 6.919 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.042 12.641 5.111 1.00 0.00 N ATOM 0 H ARG A 16 -9.377 7.480 5.188 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.527 10.187 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.227 8.574 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.887 8.748 7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.363 10.922 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.676 11.298 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.696 9.549 7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.608 11.192 8.504 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.601 10.324 5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.218 13.007 7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.901 14.239 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.468 11.915 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.167 13.624 4.869 1.00 0.00 H new ATOM 255 N ARG A 17 -6.522 7.921 6.471 1.00 0.00 N ATOM 256 CA ARG A 17 -5.169 7.646 6.931 1.00 0.00 C ATOM 257 C ARG A 17 -4.164 8.162 5.905 1.00 0.00 C ATOM 258 O ARG A 17 -3.172 8.801 6.256 1.00 0.00 O ATOM 259 CB ARG A 17 -4.987 6.146 7.188 1.00 0.00 C ATOM 260 CG ARG A 17 -3.658 5.790 7.829 1.00 0.00 C ATOM 261 CD ARG A 17 -3.786 4.567 8.726 1.00 0.00 C ATOM 262 NE ARG A 17 -3.673 4.907 10.143 1.00 0.00 N ATOM 263 CZ ARG A 17 -4.715 5.127 10.944 1.00 0.00 C ATOM 264 NH1 ARG A 17 -5.955 5.060 10.475 1.00 0.00 N ATOM 265 NH2 ARG A 17 -4.515 5.414 12.222 1.00 0.00 N ATOM 0 H ARG A 17 -7.084 7.086 6.305 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.994 8.165 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.795 5.797 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.078 5.611 6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.917 5.598 7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.296 6.636 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.747 4.085 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.013 3.844 8.465 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.738 4.980 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.117 4.838 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.745 5.230 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.565 5.466 12.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.311 5.583 12.837 1.00 0.00 H new ATOM 279 N LEU A 18 -4.455 7.913 4.630 1.00 0.00 N ATOM 280 CA LEU A 18 -3.607 8.384 3.542 1.00 0.00 C ATOM 281 C LEU A 18 -3.743 9.891 3.390 1.00 0.00 C ATOM 282 O LEU A 18 -2.774 10.608 3.177 1.00 0.00 O ATOM 283 CB LEU A 18 -3.979 7.696 2.238 1.00 0.00 C ATOM 284 CG LEU A 18 -2.859 6.841 1.663 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.560 7.633 1.624 1.00 0.00 C ATOM 286 CD2 LEU A 18 -2.679 5.583 2.495 1.00 0.00 C ATOM 0 H LEU A 18 -5.274 7.386 4.326 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.572 8.141 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.855 7.069 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.262 8.452 1.505 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.126 6.554 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.767 7.010 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.691 8.516 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.291 7.940 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.875 4.980 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.428 5.857 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.605 5.008 2.490 1.00 0.00 H new ATOM 298 N GLN A 19 -4.974 10.349 3.495 1.00 0.00 N ATOM 299 CA GLN A 19 -5.297 11.771 3.359 1.00 0.00 C ATOM 300 C GLN A 19 -4.823 12.615 4.551 1.00 0.00 C ATOM 301 O GLN A 19 -5.004 13.832 4.552 1.00 0.00 O ATOM 302 CB GLN A 19 -6.805 11.950 3.169 1.00 0.00 C ATOM 303 CG GLN A 19 -7.204 12.266 1.736 1.00 0.00 C ATOM 304 CD GLN A 19 -7.560 13.727 1.539 1.00 0.00 C ATOM 305 OE1 GLN A 19 -6.956 14.613 2.144 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.546 13.986 0.689 1.00 0.00 N ATOM 0 H GLN A 19 -5.783 9.755 3.676 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.760 12.130 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.314 11.040 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.152 12.753 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.384 12.002 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.056 11.647 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.020 13.221 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.830 14.950 0.516 1.00 0.00 H new ATOM 315 N ALA A 20 -4.222 11.981 5.561 1.00 0.00 N ATOM 316 CA ALA A 20 -3.735 12.706 6.743 1.00 0.00 C ATOM 317 C ALA A 20 -3.009 13.999 6.351 1.00 0.00 C ATOM 318 O ALA A 20 -2.680 14.199 5.182 1.00 0.00 O ATOM 319 CB ALA A 20 -2.818 11.813 7.563 1.00 0.00 C ATOM 0 H ALA A 20 -4.060 10.974 5.587 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.600 12.982 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.463 12.360 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.366 10.928 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.966 11.509 6.954 1.00 0.00 H new ATOM 325 N GLU A 21 -2.766 14.880 7.326 1.00 0.00 N ATOM 326 CA GLU A 21 -2.090 16.149 7.042 1.00 0.00 C ATOM 327 C GLU A 21 -0.582 16.003 7.004 1.00 0.00 C ATOM 328 O GLU A 21 0.143 16.878 6.530 1.00 0.00 O ATOM 329 CB GLU A 21 -2.504 17.229 8.043 1.00 0.00 C ATOM 330 CG GLU A 21 -3.937 17.704 7.864 1.00 0.00 C ATOM 331 CD GLU A 21 -4.083 19.200 8.061 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.260 19.785 8.797 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.019 19.787 7.478 1.00 0.00 O ATOM 0 H GLU A 21 -3.022 14.742 8.304 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.408 16.459 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.382 16.842 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.832 18.081 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.282 17.437 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.580 17.183 8.573 1.00 0.00 H new ATOM 340 N GLY A 22 -0.146 14.868 7.457 1.00 0.00 N ATOM 341 CA GLY A 22 1.268 14.526 7.447 1.00 0.00 C ATOM 342 C GLY A 22 1.609 13.682 6.234 1.00 0.00 C ATOM 343 O GLY A 22 2.645 13.019 6.187 1.00 0.00 O ATOM 0 H GLY A 22 -0.749 14.144 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.867 15.437 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.522 13.982 8.357 1.00 0.00 H new ATOM 347 N ASN A 23 0.693 13.684 5.274 1.00 0.00 N ATOM 348 CA ASN A 23 0.814 12.902 4.055 1.00 0.00 C ATOM 349 C ASN A 23 1.128 13.777 2.852 1.00 0.00 C ATOM 350 O ASN A 23 0.349 14.656 2.482 1.00 0.00 O ATOM 351 CB ASN A 23 -0.496 12.145 3.866 1.00 0.00 C ATOM 352 CG ASN A 23 -0.519 10.834 4.628 1.00 0.00 C ATOM 353 OD1 ASN A 23 -1.501 10.509 5.296 1.00 0.00 O ATOM 354 ND2 ASN A 23 0.564 10.074 4.535 1.00 0.00 N ATOM 0 H ASN A 23 -0.164 14.236 5.323 1.00 0.00 H new ATOM 0 HA ASN A 23 1.647 12.204 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.325 12.770 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.650 11.949 2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.605 9.182 5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.356 10.381 3.970 1.00 0.00 H new ATOM 361 N ALA A 24 2.281 13.514 2.239 1.00 0.00 N ATOM 362 CA ALA A 24 2.710 14.260 1.066 1.00 0.00 C ATOM 363 C ALA A 24 3.115 13.326 -0.064 1.00 0.00 C ATOM 364 O ALA A 24 4.290 13.026 -0.270 1.00 0.00 O ATOM 365 CB ALA A 24 3.835 15.223 1.413 1.00 0.00 C ATOM 0 H ALA A 24 2.933 12.789 2.538 1.00 0.00 H new ATOM 0 HA ALA A 24 1.861 14.849 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.137 15.768 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.490 15.929 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.686 14.664 1.801 1.00 0.00 H new ATOM 371 N THR A 25 2.092 12.894 -0.784 1.00 0.00 N ATOM 372 CA THR A 25 2.200 11.996 -1.920 1.00 0.00 C ATOM 373 C THR A 25 3.118 10.793 -1.685 1.00 0.00 C ATOM 374 O THR A 25 4.141 10.881 -1.008 1.00 0.00 O ATOM 375 CB THR A 25 2.629 12.772 -3.161 1.00 0.00 C ATOM 376 OG1 THR A 25 3.805 13.516 -2.906 1.00 0.00 O ATOM 377 CG2 THR A 25 1.568 13.738 -3.643 1.00 0.00 C ATOM 0 H THR A 25 1.130 13.169 -0.585 1.00 0.00 H new ATOM 0 HA THR A 25 1.206 11.575 -2.071 1.00 0.00 H new ATOM 0 HB THR A 25 2.802 12.023 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.305 13.098 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.928 14.262 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.661 13.188 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.350 14.461 -2.857 1.00 0.00 H new ATOM 385 N GLY A 26 2.712 9.657 -2.259 1.00 0.00 N ATOM 386 CA GLY A 26 3.465 8.416 -2.125 1.00 0.00 C ATOM 387 C GLY A 26 3.103 7.662 -0.873 1.00 0.00 C ATOM 388 O GLY A 26 3.347 6.459 -0.772 1.00 0.00 O ATOM 0 H GLY A 26 1.864 9.576 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.279 7.785 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.532 8.640 -2.116 1.00 0.00 H new ATOM 392 N ALA A 27 2.495 8.361 0.076 1.00 0.00 N ATOM 393 CA ALA A 27 2.072 7.745 1.315 1.00 0.00 C ATOM 394 C ALA A 27 1.333 6.459 1.011 1.00 0.00 C ATOM 395 O ALA A 27 0.353 6.460 0.280 1.00 0.00 O ATOM 396 CB ALA A 27 1.192 8.707 2.079 1.00 0.00 C ATOM 0 H ALA A 27 2.286 9.357 0.006 1.00 0.00 H new ATOM 0 HA ALA A 27 2.940 7.507 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.872 8.245 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.751 9.617 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.317 8.955 1.479 1.00 0.00 H new ATOM 402 N PHE A 28 1.828 5.362 1.540 1.00 0.00 N ATOM 403 CA PHE A 28 1.230 4.071 1.288 1.00 0.00 C ATOM 404 C PHE A 28 1.160 3.283 2.591 1.00 0.00 C ATOM 405 O PHE A 28 1.859 3.595 3.553 1.00 0.00 O ATOM 406 CB PHE A 28 2.082 3.355 0.237 1.00 0.00 C ATOM 407 CG PHE A 28 1.344 2.830 -0.968 1.00 0.00 C ATOM 408 CD1 PHE A 28 0.086 2.293 -0.838 1.00 0.00 C ATOM 409 CD2 PHE A 28 1.934 2.835 -2.234 1.00 0.00 C ATOM 410 CE1 PHE A 28 -0.584 1.774 -1.935 1.00 0.00 C ATOM 411 CE2 PHE A 28 1.273 2.306 -3.326 1.00 0.00 C ATOM 412 CZ PHE A 28 0.014 1.779 -3.176 1.00 0.00 C ATOM 0 H PHE A 28 2.646 5.339 2.149 1.00 0.00 H new ATOM 0 HA PHE A 28 0.212 4.171 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.854 4.044 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.591 2.520 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.388 2.275 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.920 3.258 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.577 1.365 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.746 2.307 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.506 1.369 -4.029 1.00 0.00 H new ATOM 422 N LEU A 29 0.306 2.283 2.619 1.00 0.00 N ATOM 423 CA LEU A 29 0.125 1.458 3.806 1.00 0.00 C ATOM 424 C LEU A 29 -0.310 0.065 3.414 1.00 0.00 C ATOM 425 O LEU A 29 -0.920 -0.126 2.364 1.00 0.00 O ATOM 426 CB LEU A 29 -0.919 2.066 4.742 1.00 0.00 C ATOM 427 CG LEU A 29 -2.255 2.479 4.102 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.469 1.850 2.732 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.392 2.082 5.010 1.00 0.00 C ATOM 0 H LEU A 29 -0.281 2.016 1.829 1.00 0.00 H new ATOM 0 HA LEU A 29 1.081 1.410 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.128 1.347 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.482 2.944 5.217 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.226 3.560 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.427 2.176 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.668 2.159 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.465 0.764 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.339 2.375 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.379 1.002 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.281 2.582 5.972 1.00 0.00 H new ATOM 441 N ILE A 30 0.006 -0.914 4.238 1.00 0.00 N ATOM 442 CA ILE A 30 -0.358 -2.280 3.925 1.00 0.00 C ATOM 443 C ILE A 30 -1.279 -2.872 4.976 1.00 0.00 C ATOM 444 O ILE A 30 -0.893 -3.079 6.126 1.00 0.00 O ATOM 445 CB ILE A 30 0.884 -3.171 3.727 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.159 -2.302 3.637 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.693 -4.016 2.474 1.00 0.00 C ATOM 448 CD1 ILE A 30 3.248 -2.866 2.752 1.00 0.00 C ATOM 0 H ILE A 30 0.507 -0.792 5.118 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.903 -2.250 2.981 1.00 0.00 H new ATOM 0 HB ILE A 30 1.005 -3.836 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.884 -1.315 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.560 -2.165 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.567 -4.650 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.193 -4.641 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.568 -3.363 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.102 -2.189 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.557 -3.840 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.870 -2.976 1.736 1.00 0.00 H new ATOM 460 N ARG A 31 -2.508 -3.130 4.553 1.00 0.00 N ATOM 461 CA ARG A 31 -3.530 -3.687 5.423 1.00 0.00 C ATOM 462 C ARG A 31 -3.917 -5.081 4.966 1.00 0.00 C ATOM 463 O ARG A 31 -3.318 -5.629 4.043 1.00 0.00 O ATOM 464 CB ARG A 31 -4.767 -2.798 5.391 1.00 0.00 C ATOM 465 CG ARG A 31 -5.288 -2.579 3.989 1.00 0.00 C ATOM 466 CD ARG A 31 -5.239 -1.112 3.589 1.00 0.00 C ATOM 467 NE ARG A 31 -5.162 -0.941 2.142 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.189 -1.129 1.320 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.379 -1.469 1.800 1.00 0.00 N ATOM 470 NH2 ARG A 31 -6.031 -0.977 0.014 1.00 0.00 N ATOM 0 H ARG A 31 -2.823 -2.959 3.598 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.130 -3.740 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.550 -3.250 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.529 -1.834 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.698 -3.167 3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.315 -2.939 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.126 -0.604 3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.376 -0.638 4.056 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.268 -0.661 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.509 -1.587 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.164 -1.612 1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.120 -0.715 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.820 -1.122 -0.615 1.00 0.00 H new ATOM 484 N VAL A 32 -4.935 -5.645 5.599 1.00 0.00 N ATOM 485 CA VAL A 32 -5.396 -6.971 5.226 1.00 0.00 C ATOM 486 C VAL A 32 -6.548 -6.891 4.235 1.00 0.00 C ATOM 487 O VAL A 32 -7.515 -6.157 4.441 1.00 0.00 O ATOM 488 CB VAL A 32 -5.831 -7.796 6.455 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.664 -7.981 7.414 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.007 -7.135 7.157 1.00 0.00 C ATOM 0 H VAL A 32 -5.451 -5.211 6.364 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.552 -7.475 4.756 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.151 -8.780 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.990 -8.565 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.855 -8.505 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.311 -7.006 7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.298 -7.733 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.719 -6.137 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.848 -7.061 6.467 1.00 0.00 H new ATOM 500 N SER A 33 -6.426 -7.651 3.154 1.00 0.00 N ATOM 501 CA SER A 33 -7.439 -7.681 2.106 1.00 0.00 C ATOM 502 C SER A 33 -8.849 -7.783 2.685 1.00 0.00 C ATOM 503 O SER A 33 -9.326 -8.876 2.992 1.00 0.00 O ATOM 504 CB SER A 33 -7.175 -8.858 1.166 1.00 0.00 C ATOM 505 OG SER A 33 -6.305 -9.804 1.762 1.00 0.00 O ATOM 0 H SER A 33 -5.627 -8.261 2.979 1.00 0.00 H new ATOM 0 HA SER A 33 -7.375 -6.745 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.118 -9.339 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.738 -8.493 0.236 1.00 0.00 H new ATOM 0 HG SER A 33 -6.805 -10.620 1.974 1.00 0.00 H new ATOM 511 N GLU A 34 -9.513 -6.640 2.819 1.00 0.00 N ATOM 512 CA GLU A 34 -10.873 -6.606 3.348 1.00 0.00 C ATOM 513 C GLU A 34 -11.831 -7.342 2.417 1.00 0.00 C ATOM 514 O GLU A 34 -12.932 -7.728 2.812 1.00 0.00 O ATOM 515 CB GLU A 34 -11.336 -5.162 3.542 1.00 0.00 C ATOM 516 CG GLU A 34 -10.323 -4.291 4.267 1.00 0.00 C ATOM 517 CD GLU A 34 -9.699 -3.246 3.364 1.00 0.00 C ATOM 518 OE1 GLU A 34 -9.446 -3.559 2.181 1.00 0.00 O ATOM 519 OE2 GLU A 34 -9.463 -2.114 3.838 1.00 0.00 O ATOM 0 H GLU A 34 -9.133 -5.727 2.570 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.874 -7.108 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.548 -4.723 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.271 -5.161 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.811 -3.796 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.538 -4.923 4.682 1.00 0.00 H new ATOM 526 N LYS A 35 -11.393 -7.540 1.181 1.00 0.00 N ATOM 527 CA LYS A 35 -12.191 -8.238 0.178 1.00 0.00 C ATOM 528 C LYS A 35 -11.518 -9.553 -0.222 1.00 0.00 C ATOM 529 O LYS A 35 -12.106 -10.624 -0.071 1.00 0.00 O ATOM 530 CB LYS A 35 -12.425 -7.364 -1.068 1.00 0.00 C ATOM 531 CG LYS A 35 -11.926 -5.928 -0.946 1.00 0.00 C ATOM 532 CD LYS A 35 -11.438 -5.395 -2.284 1.00 0.00 C ATOM 533 CE LYS A 35 -10.729 -4.058 -2.130 1.00 0.00 C ATOM 534 NZ LYS A 35 -9.511 -3.973 -2.982 1.00 0.00 N ATOM 0 H LYS A 35 -10.483 -7.225 0.846 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.162 -8.455 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.934 -7.833 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.493 -7.345 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.728 -5.293 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.116 -5.883 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.759 -6.117 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.284 -5.283 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.413 -3.252 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.452 -3.912 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.057 -3.047 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.846 -4.726 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.777 -4.086 -3.981 1.00 0.00 H new ATOM 548 N PRO A 36 -10.270 -9.497 -0.733 1.00 0.00 N ATOM 549 CA PRO A 36 -9.533 -10.700 -1.141 1.00 0.00 C ATOM 550 C PRO A 36 -9.406 -11.709 -0.002 1.00 0.00 C ATOM 551 O PRO A 36 -10.121 -11.623 0.996 1.00 0.00 O ATOM 552 CB PRO A 36 -8.153 -10.164 -1.538 1.00 0.00 C ATOM 553 CG PRO A 36 -8.376 -8.729 -1.858 1.00 0.00 C ATOM 554 CD PRO A 36 -9.480 -8.270 -0.951 1.00 0.00 C ATOM 0 HA PRO A 36 -10.039 -11.234 -1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.436 -10.281 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.752 -10.702 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.469 -8.147 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.652 -8.601 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.091 -7.870 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.078 -7.483 -1.411 1.00 0.00 H new ATOM 562 N SER A 37 -8.495 -12.665 -0.155 1.00 0.00 N ATOM 563 CA SER A 37 -8.285 -13.687 0.865 1.00 0.00 C ATOM 564 C SER A 37 -6.802 -14.026 1.009 1.00 0.00 C ATOM 565 O SER A 37 -6.104 -14.231 0.017 1.00 0.00 O ATOM 566 CB SER A 37 -9.076 -14.951 0.522 1.00 0.00 C ATOM 567 OG SER A 37 -10.411 -14.636 0.166 1.00 0.00 O ATOM 0 H SER A 37 -7.892 -12.753 -0.973 1.00 0.00 H new ATOM 0 HA SER A 37 -8.640 -13.289 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.591 -15.475 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.074 -15.628 1.376 1.00 0.00 H new ATOM 0 HG SER A 37 -10.895 -15.460 -0.050 1.00 0.00 H new ATOM 573 N ALA A 38 -6.331 -14.085 2.252 1.00 0.00 N ATOM 574 CA ALA A 38 -4.933 -14.399 2.531 1.00 0.00 C ATOM 575 C ALA A 38 -3.994 -13.481 1.755 1.00 0.00 C ATOM 576 O ALA A 38 -2.960 -13.915 1.248 1.00 0.00 O ATOM 577 CB ALA A 38 -4.643 -15.856 2.197 1.00 0.00 C ATOM 0 H ALA A 38 -6.898 -13.919 3.083 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.758 -14.237 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.597 -16.077 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.280 -16.502 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.844 -16.034 1.141 1.00 0.00 H new ATOM 583 N ASP A 39 -4.365 -12.208 1.665 1.00 0.00 N ATOM 584 CA ASP A 39 -3.561 -11.225 0.947 1.00 0.00 C ATOM 585 C ASP A 39 -3.496 -9.911 1.717 1.00 0.00 C ATOM 586 O ASP A 39 -3.984 -9.815 2.843 1.00 0.00 O ATOM 587 CB ASP A 39 -4.146 -10.978 -0.446 1.00 0.00 C ATOM 588 CG ASP A 39 -4.588 -12.258 -1.128 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.898 -13.287 -0.966 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.623 -12.232 -1.826 1.00 0.00 O ATOM 0 H ASP A 39 -5.218 -11.833 2.080 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.551 -11.622 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.997 -10.302 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.401 -10.479 -1.066 1.00 0.00 H new ATOM 595 N TYR A 40 -2.912 -8.893 1.092 1.00 0.00 N ATOM 596 CA TYR A 40 -2.804 -7.576 1.701 1.00 0.00 C ATOM 597 C TYR A 40 -3.129 -6.539 0.666 1.00 0.00 C ATOM 598 O TYR A 40 -2.713 -6.648 -0.477 1.00 0.00 O ATOM 599 CB TYR A 40 -1.391 -7.324 2.274 1.00 0.00 C ATOM 600 CG TYR A 40 -1.316 -7.432 3.782 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.738 -8.579 4.439 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.818 -6.383 4.547 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.667 -8.681 5.815 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.743 -6.478 5.923 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.169 -7.628 6.552 1.00 0.00 C ATOM 606 OH TYR A 40 -1.096 -7.726 7.923 1.00 0.00 O ATOM 0 H TYR A 40 -2.505 -8.958 0.159 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.507 -7.518 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.697 -8.039 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.059 -6.330 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.129 -9.406 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.485 -5.480 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.000 -9.581 6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.352 -5.655 6.503 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.721 -6.899 8.291 1.00 0.00 H new ATOM 616 N VAL A 41 -3.871 -5.533 1.066 1.00 0.00 N ATOM 617 CA VAL A 41 -4.231 -4.475 0.147 1.00 0.00 C ATOM 618 C VAL A 41 -3.479 -3.219 0.509 1.00 0.00 C ATOM 619 O VAL A 41 -3.378 -2.858 1.680 1.00 0.00 O ATOM 620 CB VAL A 41 -5.743 -4.210 0.115 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.420 -5.228 -0.788 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.333 -4.260 1.513 1.00 0.00 C ATOM 0 H VAL A 41 -4.235 -5.423 2.012 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.952 -4.797 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.915 -3.210 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.493 -5.038 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.016 -5.145 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.237 -6.232 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.405 -4.069 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.160 -5.245 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.858 -3.502 2.136 1.00 0.00 H new ATOM 632 N LEU A 42 -2.906 -2.579 -0.489 1.00 0.00 N ATOM 633 CA LEU A 42 -2.121 -1.397 -0.249 1.00 0.00 C ATOM 634 C LEU A 42 -2.771 -0.151 -0.819 1.00 0.00 C ATOM 635 O LEU A 42 -3.138 -0.124 -1.980 1.00 0.00 O ATOM 636 CB LEU A 42 -0.738 -1.568 -0.849 1.00 0.00 C ATOM 637 CG LEU A 42 0.270 -0.606 -0.276 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.842 -1.151 1.021 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.373 -0.334 -1.267 1.00 0.00 C ATOM 0 H LEU A 42 -2.971 -2.859 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.049 -1.268 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.397 -2.589 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.795 -1.427 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.236 0.336 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.569 -0.445 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.037 -1.294 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.331 -2.106 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.089 0.363 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.879 -1.267 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.949 0.099 -2.173 1.00 0.00 H new ATOM 651 N SER A 43 -2.887 0.894 -0.006 1.00 0.00 N ATOM 652 CA SER A 43 -3.478 2.150 -0.463 1.00 0.00 C ATOM 653 C SER A 43 -2.524 3.326 -0.309 1.00 0.00 C ATOM 654 O SER A 43 -1.982 3.586 0.765 1.00 0.00 O ATOM 655 CB SER A 43 -4.795 2.409 0.228 1.00 0.00 C ATOM 656 OG SER A 43 -4.694 3.416 1.220 1.00 0.00 O ATOM 0 H SER A 43 -2.582 0.898 0.967 1.00 0.00 H new ATOM 0 HA SER A 43 -3.672 2.046 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.539 2.705 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.150 1.486 0.686 1.00 0.00 H new ATOM 0 HG SER A 43 -5.504 3.967 1.210 1.00 0.00 H new ATOM 662 N VAL A 44 -2.309 4.011 -1.422 1.00 0.00 N ATOM 663 CA VAL A 44 -1.394 5.159 -1.486 1.00 0.00 C ATOM 664 C VAL A 44 -2.107 6.407 -1.959 1.00 0.00 C ATOM 665 O VAL A 44 -3.080 6.333 -2.702 1.00 0.00 O ATOM 666 CB VAL A 44 -0.239 4.865 -2.466 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.727 4.777 -3.905 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.892 5.874 -2.333 1.00 0.00 C ATOM 0 H VAL A 44 -2.760 3.793 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.009 5.323 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 44 0.161 3.889 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.117 4.569 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.461 3.976 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.186 5.723 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.683 5.629 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.514 6.874 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.290 5.843 -1.319 1.00 0.00 H new ATOM 678 N ARG A 45 -1.586 7.554 -1.568 1.00 0.00 N ATOM 679 CA ARG A 45 -2.143 8.815 -2.004 1.00 0.00 C ATOM 680 C ARG A 45 -1.538 9.179 -3.345 1.00 0.00 C ATOM 681 O ARG A 45 -1.912 10.172 -3.967 1.00 0.00 O ATOM 682 CB ARG A 45 -1.841 9.917 -0.999 1.00 0.00 C ATOM 683 CG ARG A 45 -2.662 11.173 -1.220 1.00 0.00 C ATOM 684 CD ARG A 45 -2.203 12.314 -0.331 1.00 0.00 C ATOM 685 NE ARG A 45 -0.793 12.217 0.001 1.00 0.00 N ATOM 686 CZ ARG A 45 -0.329 11.444 0.971 1.00 0.00 C ATOM 687 NH1 ARG A 45 -1.155 10.652 1.633 1.00 0.00 N ATOM 688 NH2 ARG A 45 0.955 11.444 1.278 1.00 0.00 N ATOM 0 H ARG A 45 -0.779 7.636 -0.950 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.225 8.714 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.027 9.542 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.782 10.169 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.589 11.475 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.712 10.959 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.392 13.263 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.791 12.317 0.587 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.128 12.771 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.147 10.637 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.800 10.056 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.602 12.044 0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.300 10.844 2.027 1.00 0.00 H new ATOM 702 N ASP A 46 -0.582 8.358 -3.772 1.00 0.00 N ATOM 703 CA ASP A 46 0.113 8.578 -5.041 1.00 0.00 C ATOM 704 C ASP A 46 0.508 10.053 -5.181 1.00 0.00 C ATOM 705 O ASP A 46 1.456 10.509 -4.547 1.00 0.00 O ATOM 706 CB ASP A 46 -0.759 8.110 -6.218 1.00 0.00 C ATOM 707 CG ASP A 46 -1.531 6.849 -5.895 1.00 0.00 C ATOM 708 OD1 ASP A 46 -2.233 6.840 -4.867 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.429 5.869 -6.660 1.00 0.00 O ATOM 0 H ASP A 46 -0.270 7.534 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 46 1.028 7.986 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.458 8.902 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.127 7.933 -7.088 1.00 0.00 H new ATOM 714 N THR A 47 -0.236 10.791 -5.987 1.00 0.00 N ATOM 715 CA THR A 47 0.014 12.213 -6.186 1.00 0.00 C ATOM 716 C THR A 47 -1.252 13.015 -5.884 1.00 0.00 C ATOM 717 O THR A 47 -1.331 14.210 -6.174 1.00 0.00 O ATOM 718 CB THR A 47 0.476 12.480 -7.620 1.00 0.00 C ATOM 719 OG1 THR A 47 0.726 13.860 -7.818 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.529 12.042 -8.664 1.00 0.00 C ATOM 0 H THR A 47 -1.026 10.427 -6.520 1.00 0.00 H new ATOM 0 HA THR A 47 0.804 12.526 -5.503 1.00 0.00 H new ATOM 0 HB THR A 47 1.385 11.892 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.227 14.381 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.139 12.260 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.707 10.971 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.466 12.580 -8.516 1.00 0.00 H new ATOM 728 N GLN A 48 -2.239 12.335 -5.299 1.00 0.00 N ATOM 729 CA GLN A 48 -3.521 12.946 -4.942 1.00 0.00 C ATOM 730 C GLN A 48 -4.557 11.862 -4.643 1.00 0.00 C ATOM 731 O GLN A 48 -4.469 10.751 -5.165 1.00 0.00 O ATOM 732 CB GLN A 48 -4.027 13.852 -6.071 1.00 0.00 C ATOM 733 CG GLN A 48 -3.804 15.333 -5.808 1.00 0.00 C ATOM 734 CD GLN A 48 -5.058 16.160 -6.013 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.115 17.015 -6.896 1.00 0.00 O ATOM 736 NE2 GLN A 48 -6.073 15.908 -5.194 1.00 0.00 N ATOM 0 H GLN A 48 -2.173 11.346 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.371 13.555 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.526 13.577 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.092 13.674 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.449 15.467 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.019 15.701 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.982 15.190 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.943 16.433 -5.284 1.00 0.00 H new ATOM 745 N ALA A 49 -5.534 12.183 -3.797 1.00 0.00 N ATOM 746 CA ALA A 49 -6.575 11.221 -3.434 1.00 0.00 C ATOM 747 C ALA A 49 -5.955 9.947 -2.873 1.00 0.00 C ATOM 748 O ALA A 49 -4.742 9.873 -2.696 1.00 0.00 O ATOM 749 CB ALA A 49 -7.439 10.896 -4.643 1.00 0.00 C ATOM 0 H ALA A 49 -5.627 13.096 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.203 11.669 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.209 10.179 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.910 11.808 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.818 10.467 -5.430 1.00 0.00 H new ATOM 755 N VAL A 50 -6.785 8.940 -2.607 1.00 0.00 N ATOM 756 CA VAL A 50 -6.296 7.673 -2.081 1.00 0.00 C ATOM 757 C VAL A 50 -6.513 6.557 -3.090 1.00 0.00 C ATOM 758 O VAL A 50 -7.624 6.337 -3.572 1.00 0.00 O ATOM 759 CB VAL A 50 -6.975 7.296 -0.749 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.619 5.868 -0.343 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.584 8.281 0.341 1.00 0.00 C ATOM 0 H VAL A 50 -7.795 8.979 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.230 7.799 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.055 7.346 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.109 5.625 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.954 5.176 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.539 5.782 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.071 8.002 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.503 8.264 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.898 9.285 0.054 1.00 0.00 H new ATOM 771 N ARG A 51 -5.432 5.865 -3.402 1.00 0.00 N ATOM 772 CA ARG A 51 -5.460 4.773 -4.354 1.00 0.00 C ATOM 773 C ARG A 51 -5.235 3.449 -3.635 1.00 0.00 C ATOM 774 O ARG A 51 -4.125 3.167 -3.188 1.00 0.00 O ATOM 775 CB ARG A 51 -4.369 4.974 -5.405 1.00 0.00 C ATOM 776 CG ARG A 51 -4.629 6.100 -6.403 1.00 0.00 C ATOM 777 CD ARG A 51 -4.719 7.477 -5.755 1.00 0.00 C ATOM 778 NE ARG A 51 -5.624 8.366 -6.483 1.00 0.00 N ATOM 779 CZ ARG A 51 -6.931 8.154 -6.613 1.00 0.00 C ATOM 780 NH1 ARG A 51 -7.497 7.090 -6.060 1.00 0.00 N ATOM 781 NH2 ARG A 51 -7.675 9.013 -7.297 1.00 0.00 N ATOM 0 H ARG A 51 -4.511 6.045 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.434 4.755 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.427 5.173 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.242 4.043 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.831 6.108 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.558 5.896 -6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.064 7.372 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.726 7.924 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.229 9.200 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.930 6.428 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.500 6.934 -6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.245 9.834 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.677 8.852 -7.398 1.00 0.00 H new ATOM 795 N HIS A 52 -6.283 2.642 -3.516 1.00 0.00 N ATOM 796 CA HIS A 52 -6.168 1.355 -2.840 1.00 0.00 C ATOM 797 C HIS A 52 -5.725 0.281 -3.810 1.00 0.00 C ATOM 798 O HIS A 52 -5.980 0.378 -5.011 1.00 0.00 O ATOM 799 CB HIS A 52 -7.500 0.970 -2.199 1.00 0.00 C ATOM 800 CG HIS A 52 -8.010 2.051 -1.324 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.530 2.244 -0.059 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.852 3.078 -1.572 1.00 0.00 C ATOM 803 CE1 HIS A 52 -8.025 3.350 0.434 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.844 3.879 -0.459 1.00 0.00 N ATOM 0 H HIS A 52 -7.214 2.853 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.415 1.445 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.232 0.754 -2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.375 0.057 -1.617 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.885 1.621 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.423 3.238 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.802 3.762 1.407 1.00 0.00 H new ATOM 813 N TYR A 53 -5.029 -0.726 -3.302 1.00 0.00 N ATOM 814 CA TYR A 53 -4.531 -1.775 -4.164 1.00 0.00 C ATOM 815 C TYR A 53 -4.574 -3.142 -3.498 1.00 0.00 C ATOM 816 O TYR A 53 -4.527 -3.258 -2.276 1.00 0.00 O ATOM 817 CB TYR A 53 -3.104 -1.432 -4.567 1.00 0.00 C ATOM 818 CG TYR A 53 -2.987 -0.100 -5.275 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.773 1.089 -4.578 1.00 0.00 C ATOM 820 CD2 TYR A 53 -3.080 -0.040 -6.653 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.651 2.292 -5.250 1.00 0.00 C ATOM 822 CE2 TYR A 53 -2.963 1.157 -7.331 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.746 2.319 -6.627 1.00 0.00 C ATOM 824 OH TYR A 53 -2.624 3.513 -7.299 1.00 0.00 O ATOM 0 H TYR A 53 -4.802 -0.834 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.175 -1.834 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.475 -1.419 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.719 -2.217 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.702 1.070 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.248 -0.949 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.482 3.206 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.041 1.181 -8.408 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.106 4.143 -6.756 1.00 0.00 H new ATOM 834 N LYS A 54 -4.649 -4.175 -4.327 1.00 0.00 N ATOM 835 CA LYS A 54 -4.678 -5.550 -3.856 1.00 0.00 C ATOM 836 C LYS A 54 -3.310 -6.186 -4.043 1.00 0.00 C ATOM 837 O LYS A 54 -2.822 -6.297 -5.165 1.00 0.00 O ATOM 838 CB LYS A 54 -5.727 -6.357 -4.622 1.00 0.00 C ATOM 839 CG LYS A 54 -6.294 -7.521 -3.831 1.00 0.00 C ATOM 840 CD LYS A 54 -6.477 -8.752 -4.704 1.00 0.00 C ATOM 841 CE LYS A 54 -5.248 -9.646 -4.672 1.00 0.00 C ATOM 842 NZ LYS A 54 -4.790 -9.914 -3.280 1.00 0.00 N ATOM 0 H LYS A 54 -4.691 -4.082 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.939 -5.550 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.542 -5.694 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.281 -6.736 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.627 -7.758 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.253 -7.235 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.346 -9.315 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.678 -8.445 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.473 -10.590 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.442 -9.175 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.383 -10.869 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.069 -9.215 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.598 -9.845 -2.629 1.00 0.00 H new ATOM 856 N ILE A 55 -2.700 -6.606 -2.947 1.00 0.00 N ATOM 857 CA ILE A 55 -1.393 -7.234 -2.998 1.00 0.00 C ATOM 858 C ILE A 55 -1.563 -8.736 -2.835 1.00 0.00 C ATOM 859 O ILE A 55 -1.702 -9.244 -1.723 1.00 0.00 O ATOM 860 CB ILE A 55 -0.454 -6.688 -1.900 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.798 -5.237 -1.532 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.997 -6.779 -2.335 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.564 -4.936 -0.071 1.00 0.00 C ATOM 0 H ILE A 55 -3.092 -6.522 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.936 -7.006 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.599 -7.308 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.197 -4.560 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.842 -5.042 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.639 -6.389 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.254 -7.820 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.142 -6.194 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.823 -3.897 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.185 -5.591 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.486 -5.102 0.171 1.00 0.00 H new ATOM 875 N TRP A 56 -1.591 -9.434 -3.961 1.00 0.00 N ATOM 876 CA TRP A 56 -1.793 -10.876 -3.970 1.00 0.00 C ATOM 877 C TRP A 56 -0.486 -11.630 -3.759 1.00 0.00 C ATOM 878 O TRP A 56 0.589 -11.141 -4.096 1.00 0.00 O ATOM 879 CB TRP A 56 -2.444 -11.292 -5.294 1.00 0.00 C ATOM 880 CG TRP A 56 -3.439 -12.405 -5.159 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.725 -13.118 -4.033 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.281 -12.931 -6.192 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.694 -14.055 -4.299 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.051 -13.960 -5.619 1.00 0.00 C ATOM 885 CE3 TRP A 56 -4.459 -12.631 -7.546 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.983 -14.690 -6.352 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -5.384 -13.356 -8.273 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.137 -14.375 -7.675 1.00 0.00 C ATOM 0 H TRP A 56 -1.475 -9.022 -4.887 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.452 -11.134 -3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.940 -10.426 -5.732 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.664 -11.598 -5.991 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.258 -12.968 -3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.084 -14.713 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.884 -11.847 -8.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.564 -15.477 -5.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.529 -13.133 -9.320 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.853 -14.923 -8.270 1.00 0.00 H new ATOM 899 N ARG A 57 -0.598 -12.828 -3.192 1.00 0.00 N ATOM 900 CA ARG A 57 0.561 -13.669 -2.926 1.00 0.00 C ATOM 901 C ARG A 57 0.784 -14.653 -4.070 1.00 0.00 C ATOM 902 O ARG A 57 -0.082 -14.830 -4.926 1.00 0.00 O ATOM 903 CB ARG A 57 0.360 -14.433 -1.614 1.00 0.00 C ATOM 904 CG ARG A 57 1.621 -14.560 -0.775 1.00 0.00 C ATOM 905 CD ARG A 57 1.471 -15.637 0.286 1.00 0.00 C ATOM 906 NE ARG A 57 2.246 -15.337 1.488 1.00 0.00 N ATOM 907 CZ ARG A 57 2.405 -16.189 2.498 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.849 -17.394 2.453 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.124 -15.838 3.556 1.00 0.00 N ATOM 0 H ARG A 57 -1.487 -13.239 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 57 1.441 -13.031 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.407 -13.929 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.016 -15.431 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.467 -14.797 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.841 -13.605 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.419 -15.741 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.793 -16.595 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 57 2.691 -14.422 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.297 -17.671 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.974 -18.043 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.555 -14.915 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.245 -16.491 4.330 1.00 0.00 H new ATOM 923 N ARG A 58 1.947 -15.291 -4.077 1.00 0.00 N ATOM 924 CA ARG A 58 2.281 -16.257 -5.117 1.00 0.00 C ATOM 925 C ARG A 58 2.276 -17.679 -4.563 1.00 0.00 C ATOM 926 O ARG A 58 2.971 -18.556 -5.076 1.00 0.00 O ATOM 927 CB ARG A 58 3.649 -15.932 -5.714 1.00 0.00 C ATOM 928 CG ARG A 58 3.578 -15.112 -6.992 1.00 0.00 C ATOM 929 CD ARG A 58 3.831 -15.970 -8.221 1.00 0.00 C ATOM 930 NE ARG A 58 3.146 -15.452 -9.402 1.00 0.00 N ATOM 931 CZ ARG A 58 3.582 -14.418 -10.118 1.00 0.00 C ATOM 932 NH1 ARG A 58 4.702 -13.792 -9.778 1.00 0.00 N ATOM 933 NH2 ARG A 58 2.898 -14.010 -11.179 1.00 0.00 N ATOM 0 H ARG A 58 2.675 -15.158 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 58 1.524 -16.192 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.238 -15.388 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.177 -16.863 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.597 -14.643 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.313 -14.308 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.902 -16.017 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.497 -16.989 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 58 2.283 -15.909 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.233 -14.103 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.032 -13.000 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.038 -14.489 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.232 -13.218 -11.727 1.00 0.00 H new ATOM 947 N ALA A 59 1.489 -17.901 -3.515 1.00 0.00 N ATOM 948 CA ALA A 59 1.395 -19.217 -2.893 1.00 0.00 C ATOM 949 C ALA A 59 2.768 -19.715 -2.451 1.00 0.00 C ATOM 950 O ALA A 59 3.384 -20.544 -3.122 1.00 0.00 O ATOM 951 CB ALA A 59 0.755 -20.209 -3.852 1.00 0.00 C ATOM 0 H ALA A 59 0.907 -17.186 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 59 0.767 -19.129 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.691 -21.187 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.246 -19.867 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.361 -20.285 -4.755 1.00 0.00 H new ATOM 957 N GLY A 60 3.241 -19.203 -1.321 1.00 0.00 N ATOM 958 CA GLY A 60 4.537 -19.606 -0.809 1.00 0.00 C ATOM 959 C GLY A 60 5.326 -18.440 -0.247 1.00 0.00 C ATOM 960 O GLY A 60 6.036 -18.583 0.748 1.00 0.00 O ATOM 0 H GLY A 60 2.750 -18.515 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.399 -20.357 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.110 -20.077 -1.608 1.00 0.00 H new ATOM 964 N GLY A 61 5.199 -17.280 -0.885 1.00 0.00 N ATOM 965 CA GLY A 61 5.910 -16.102 -0.427 1.00 0.00 C ATOM 966 C GLY A 61 6.329 -15.195 -1.568 1.00 0.00 C ATOM 967 O GLY A 61 7.457 -15.278 -2.053 1.00 0.00 O ATOM 0 H GLY A 61 4.617 -17.136 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.276 -15.544 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.794 -16.410 0.131 1.00 0.00 H new ATOM 971 N ARG A 62 5.419 -14.325 -1.996 1.00 0.00 N ATOM 972 CA ARG A 62 5.696 -13.393 -3.084 1.00 0.00 C ATOM 973 C ARG A 62 4.463 -12.555 -3.392 1.00 0.00 C ATOM 974 O ARG A 62 3.498 -13.039 -3.986 1.00 0.00 O ATOM 975 CB ARG A 62 6.154 -14.143 -4.340 1.00 0.00 C ATOM 976 CG ARG A 62 7.547 -13.753 -4.810 1.00 0.00 C ATOM 977 CD ARG A 62 8.318 -14.955 -5.333 1.00 0.00 C ATOM 978 NE ARG A 62 8.529 -15.962 -4.296 1.00 0.00 N ATOM 979 CZ ARG A 62 9.475 -16.898 -4.352 1.00 0.00 C ATOM 980 NH1 ARG A 62 10.296 -16.962 -5.394 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.600 -17.772 -3.363 1.00 0.00 N ATOM 0 H ARG A 62 4.480 -14.246 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 62 6.501 -12.730 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.134 -15.214 -4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.443 -13.955 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.470 -13.000 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.096 -13.299 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.774 -15.400 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.282 -14.627 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 62 7.916 -15.948 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.204 -16.292 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.018 -17.681 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.972 -17.727 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.324 -18.489 -3.405 1.00 0.00 H new ATOM 995 N LEU A 63 4.504 -11.295 -2.981 1.00 0.00 N ATOM 996 CA LEU A 63 3.396 -10.379 -3.204 1.00 0.00 C ATOM 997 C LEU A 63 3.482 -9.751 -4.581 1.00 0.00 C ATOM 998 O LEU A 63 4.570 -9.517 -5.101 1.00 0.00 O ATOM 999 CB LEU A 63 3.385 -9.285 -2.139 1.00 0.00 C ATOM 1000 CG LEU A 63 2.866 -9.732 -0.777 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.375 -10.022 -0.851 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.631 -10.956 -0.299 1.00 0.00 C ATOM 0 H LEU A 63 5.297 -10.883 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 63 2.470 -10.951 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.399 -8.902 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.771 -8.457 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 63 3.023 -8.928 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.017 -10.340 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.844 -9.120 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.194 -10.813 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.251 -11.265 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.501 -11.768 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.690 -10.713 -0.214 1.00 0.00 H new ATOM 1014 N HIS A 64 2.328 -9.471 -5.164 1.00 0.00 N ATOM 1015 CA HIS A 64 2.272 -8.862 -6.476 1.00 0.00 C ATOM 1016 C HIS A 64 0.957 -8.117 -6.659 1.00 0.00 C ATOM 1017 O HIS A 64 -0.089 -8.722 -6.899 1.00 0.00 O ATOM 1018 CB HIS A 64 2.474 -9.922 -7.572 1.00 0.00 C ATOM 1019 CG HIS A 64 1.242 -10.700 -7.935 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.711 -10.709 -9.209 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.438 -11.497 -7.191 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.364 -11.477 -9.231 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.550 -11.967 -8.021 1.00 0.00 N ATOM 0 H HIS A 64 1.417 -9.658 -4.745 1.00 0.00 H new ATOM 0 HA HIS A 64 3.082 -8.138 -6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.852 -9.429 -8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.243 -10.621 -7.244 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.089 -10.202 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.553 -11.721 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.985 -11.670 -10.093 1.00 0.00 H new ATOM 1032 N LEU A 65 1.012 -6.799 -6.542 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.183 -5.988 -6.701 1.00 0.00 C ATOM 1034 C LEU A 65 -0.678 -6.080 -8.140 1.00 0.00 C ATOM 1035 O LEU A 65 -1.849 -5.838 -8.430 1.00 0.00 O ATOM 1036 CB LEU A 65 0.096 -4.534 -6.329 1.00 0.00 C ATOM 1037 CG LEU A 65 0.532 -4.317 -4.882 1.00 0.00 C ATOM 1038 CD1 LEU A 65 2.024 -4.563 -4.737 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.172 -2.912 -4.424 1.00 0.00 C ATOM 0 H LEU A 65 1.862 -6.273 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.955 -6.367 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.872 -4.147 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.803 -3.947 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 65 0.003 -5.029 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.320 -4.404 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.254 -5.588 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.571 -3.873 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.490 -2.774 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.675 -2.182 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.907 -2.772 -4.494 1.00 0.00 H new ATOM 1051 N ASN A 66 0.238 -6.445 -9.027 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.058 -6.595 -10.443 1.00 0.00 C ATOM 1053 C ASN A 66 0.734 -7.760 -11.025 1.00 0.00 C ATOM 1054 O ASN A 66 1.542 -8.380 -10.331 1.00 0.00 O ATOM 1055 CB ASN A 66 0.271 -5.306 -11.198 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.694 -5.041 -12.336 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -0.292 -4.927 -13.494 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.979 -4.939 -12.011 1.00 0.00 N ATOM 0 H ASN A 66 1.208 -6.645 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.123 -6.801 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.249 -4.466 -10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.285 -5.368 -11.592 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.675 -4.760 -12.734 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.269 -5.040 -11.038 1.00 0.00 H new ATOM 1065 N GLU A 67 0.502 -8.056 -12.299 1.00 0.00 N ATOM 1066 CA GLU A 67 1.196 -9.155 -12.965 1.00 0.00 C ATOM 1067 C GLU A 67 2.605 -8.756 -13.403 1.00 0.00 C ATOM 1068 O GLU A 67 3.175 -9.372 -14.304 1.00 0.00 O ATOM 1069 CB GLU A 67 0.391 -9.627 -14.178 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.676 -10.654 -13.837 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.192 -11.384 -15.062 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -0.427 -12.180 -15.645 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.363 -11.162 -15.437 1.00 0.00 O ATOM 0 H GLU A 67 -0.159 -7.553 -12.891 1.00 0.00 H new ATOM 0 HA GLU A 67 1.288 -9.969 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.083 -8.765 -14.647 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.073 -10.054 -14.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.267 -11.378 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.507 -10.157 -13.337 1.00 0.00 H new ATOM 1080 N ALA A 68 3.169 -7.730 -12.768 1.00 0.00 N ATOM 1081 CA ALA A 68 4.509 -7.276 -13.112 1.00 0.00 C ATOM 1082 C ALA A 68 5.260 -6.733 -11.894 1.00 0.00 C ATOM 1083 O ALA A 68 6.309 -6.108 -12.041 1.00 0.00 O ATOM 1084 CB ALA A 68 4.439 -6.216 -14.201 1.00 0.00 C ATOM 0 H ALA A 68 2.721 -7.203 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 68 5.064 -8.139 -13.481 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.447 -5.884 -14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.966 -6.637 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.855 -5.367 -13.846 1.00 0.00 H new ATOM 1090 N VAL A 69 4.727 -6.965 -10.694 1.00 0.00 N ATOM 1091 CA VAL A 69 5.380 -6.480 -9.479 1.00 0.00 C ATOM 1092 C VAL A 69 5.404 -7.545 -8.382 1.00 0.00 C ATOM 1093 O VAL A 69 4.889 -7.331 -7.286 1.00 0.00 O ATOM 1094 CB VAL A 69 4.689 -5.210 -8.940 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.699 -4.111 -9.992 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.265 -5.515 -8.495 1.00 0.00 C ATOM 0 H VAL A 69 3.859 -7.477 -10.538 1.00 0.00 H new ATOM 0 HA VAL A 69 6.407 -6.240 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 69 5.247 -4.861 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.208 -3.223 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.729 -3.869 -10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.168 -4.453 -10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.798 -4.605 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.692 -5.893 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.284 -6.266 -7.705 1.00 0.00 H new ATOM 1106 N SER A 70 6.008 -8.690 -8.682 1.00 0.00 N ATOM 1107 CA SER A 70 6.093 -9.783 -7.716 1.00 0.00 C ATOM 1108 C SER A 70 7.292 -9.607 -6.784 1.00 0.00 C ATOM 1109 O SER A 70 8.399 -9.304 -7.230 1.00 0.00 O ATOM 1110 CB SER A 70 6.191 -11.125 -8.442 1.00 0.00 C ATOM 1111 OG SER A 70 5.178 -11.248 -9.426 1.00 0.00 O ATOM 0 H SER A 70 6.445 -8.886 -9.583 1.00 0.00 H new ATOM 0 HA SER A 70 5.186 -9.766 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.171 -11.218 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.104 -11.939 -7.722 1.00 0.00 H new ATOM 0 HG SER A 70 5.575 -11.156 -10.317 1.00 0.00 H new ATOM 1117 N PHE A 71 7.064 -9.803 -5.486 1.00 0.00 N ATOM 1118 CA PHE A 71 8.123 -9.669 -4.488 1.00 0.00 C ATOM 1119 C PHE A 71 7.815 -10.488 -3.241 1.00 0.00 C ATOM 1120 O PHE A 71 6.773 -10.322 -2.612 1.00 0.00 O ATOM 1121 CB PHE A 71 8.333 -8.199 -4.127 1.00 0.00 C ATOM 1122 CG PHE A 71 9.566 -7.615 -4.754 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.810 -7.806 -4.175 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.483 -6.882 -5.927 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.948 -7.277 -4.752 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.618 -6.351 -6.510 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.852 -6.549 -5.921 1.00 0.00 C ATOM 0 H PHE A 71 6.154 -10.055 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 71 9.044 -10.057 -4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.463 -7.624 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.401 -8.102 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.891 -8.376 -3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.521 -6.724 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.911 -7.433 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.540 -5.782 -7.425 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.740 -6.135 -6.375 1.00 0.00 H new ATOM 1137 N LEU A 72 8.752 -11.373 -2.909 1.00 0.00 N ATOM 1138 CA LEU A 72 8.664 -12.267 -1.750 1.00 0.00 C ATOM 1139 C LEU A 72 7.758 -11.746 -0.629 1.00 0.00 C ATOM 1140 O LEU A 72 7.030 -12.521 -0.009 1.00 0.00 O ATOM 1141 CB LEU A 72 10.068 -12.494 -1.198 1.00 0.00 C ATOM 1142 CG LEU A 72 10.934 -11.235 -1.150 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.640 -10.443 0.116 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.409 -11.595 -1.232 1.00 0.00 C ATOM 0 H LEU A 72 9.611 -11.493 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 72 8.213 -13.195 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.988 -12.905 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.570 -13.244 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 72 10.691 -10.612 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.263 -9.549 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.589 -10.154 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.857 -11.059 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.008 -10.685 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.674 -12.237 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.604 -12.121 -2.167 1.00 0.00 H new ATOM 1156 N SER A 73 7.812 -10.444 -0.356 1.00 0.00 N ATOM 1157 CA SER A 73 6.997 -9.868 0.709 1.00 0.00 C ATOM 1158 C SER A 73 6.689 -8.395 0.457 1.00 0.00 C ATOM 1159 O SER A 73 7.170 -7.802 -0.508 1.00 0.00 O ATOM 1160 CB SER A 73 7.704 -10.025 2.057 1.00 0.00 C ATOM 1161 OG SER A 73 6.768 -10.106 3.117 1.00 0.00 O ATOM 0 H SER A 73 8.403 -9.776 -0.851 1.00 0.00 H new ATOM 0 HA SER A 73 6.051 -10.409 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.323 -10.922 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.372 -9.180 2.221 1.00 0.00 H new ATOM 0 HG SER A 73 7.245 -10.208 3.967 1.00 0.00 H new ATOM 1167 N LEU A 74 5.880 -7.814 1.342 1.00 0.00 N ATOM 1168 CA LEU A 74 5.500 -6.411 1.229 1.00 0.00 C ATOM 1169 C LEU A 74 6.728 -5.505 1.239 1.00 0.00 C ATOM 1170 O LEU A 74 6.980 -4.785 0.276 1.00 0.00 O ATOM 1171 CB LEU A 74 4.570 -6.008 2.364 1.00 0.00 C ATOM 1172 CG LEU A 74 3.082 -6.149 2.049 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.735 -5.391 0.775 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.696 -7.612 1.924 1.00 0.00 C ATOM 0 H LEU A 74 5.476 -8.296 2.145 1.00 0.00 H new ATOM 0 HA LEU A 74 4.980 -6.292 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.802 -6.616 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.774 -4.972 2.633 1.00 0.00 H new ATOM 0 HG LEU A 74 2.513 -5.717 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.671 -5.501 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.972 -4.335 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.313 -5.793 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.632 -7.690 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.271 -8.073 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.907 -8.125 2.862 1.00 0.00 H new ATOM 1186 N PRO A 75 7.512 -5.523 2.340 1.00 0.00 N ATOM 1187 CA PRO A 75 8.714 -4.701 2.483 1.00 0.00 C ATOM 1188 C PRO A 75 9.504 -4.601 1.184 1.00 0.00 C ATOM 1189 O PRO A 75 9.951 -3.521 0.798 1.00 0.00 O ATOM 1190 CB PRO A 75 9.532 -5.433 3.561 1.00 0.00 C ATOM 1191 CG PRO A 75 8.702 -6.603 4.000 1.00 0.00 C ATOM 1192 CD PRO A 75 7.297 -6.340 3.535 1.00 0.00 C ATOM 0 HA PRO A 75 8.472 -3.672 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.491 -5.765 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.747 -4.772 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.084 -7.530 3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.736 -6.715 5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.765 -7.263 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.711 -5.813 4.288 1.00 0.00 H new ATOM 1200 N GLU A 76 9.657 -5.731 0.506 1.00 0.00 N ATOM 1201 CA GLU A 76 10.374 -5.766 -0.760 1.00 0.00 C ATOM 1202 C GLU A 76 9.446 -5.353 -1.893 1.00 0.00 C ATOM 1203 O GLU A 76 9.856 -4.672 -2.834 1.00 0.00 O ATOM 1204 CB GLU A 76 10.932 -7.166 -1.015 1.00 0.00 C ATOM 1205 CG GLU A 76 11.774 -7.702 0.132 1.00 0.00 C ATOM 1206 CD GLU A 76 12.828 -6.717 0.597 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.597 -6.223 -0.254 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.886 -6.440 1.814 1.00 0.00 O ATOM 0 H GLU A 76 9.294 -6.634 0.812 1.00 0.00 H new ATOM 0 HA GLU A 76 11.207 -5.065 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.104 -7.851 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.537 -7.148 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.122 -7.952 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.260 -8.626 -0.181 1.00 0.00 H new ATOM 1215 N LEU A 77 8.186 -5.760 -1.783 1.00 0.00 N ATOM 1216 CA LEU A 77 7.180 -5.425 -2.783 1.00 0.00 C ATOM 1217 C LEU A 77 7.012 -3.911 -2.872 1.00 0.00 C ATOM 1218 O LEU A 77 6.880 -3.354 -3.963 1.00 0.00 O ATOM 1219 CB LEU A 77 5.848 -6.104 -2.434 1.00 0.00 C ATOM 1220 CG LEU A 77 4.594 -5.529 -3.107 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.058 -4.342 -2.317 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.877 -5.132 -4.552 1.00 0.00 C ATOM 0 H LEU A 77 7.837 -6.324 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 77 7.507 -5.789 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.923 -7.159 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.711 -6.053 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 77 3.832 -6.308 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.169 -3.948 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.801 -4.663 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.820 -3.564 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.970 -4.728 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.661 -4.376 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.202 -6.008 -5.113 1.00 0.00 H new ATOM 1234 N VAL A 78 7.040 -3.248 -1.720 1.00 0.00 N ATOM 1235 CA VAL A 78 6.913 -1.799 -1.674 1.00 0.00 C ATOM 1236 C VAL A 78 8.212 -1.154 -2.147 1.00 0.00 C ATOM 1237 O VAL A 78 8.198 -0.092 -2.769 1.00 0.00 O ATOM 1238 CB VAL A 78 6.551 -1.302 -0.253 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.896 0.175 -0.070 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.073 -1.541 0.022 1.00 0.00 C ATOM 0 H VAL A 78 7.149 -3.692 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 78 6.100 -1.508 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 78 7.145 -1.869 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.628 0.489 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.965 0.321 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.341 0.771 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.828 -1.188 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.474 -0.999 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.857 -2.607 -0.050 1.00 0.00 H new ATOM 1250 N ASN A 79 9.333 -1.817 -1.870 1.00 0.00 N ATOM 1251 CA ASN A 79 10.635 -1.317 -2.293 1.00 0.00 C ATOM 1252 C ASN A 79 10.633 -1.108 -3.799 1.00 0.00 C ATOM 1253 O ASN A 79 11.203 -0.145 -4.311 1.00 0.00 O ATOM 1254 CB ASN A 79 11.742 -2.296 -1.896 1.00 0.00 C ATOM 1255 CG ASN A 79 13.100 -1.629 -1.811 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.241 -0.441 -2.100 1.00 0.00 O ATOM 1257 ND2 ASN A 79 14.110 -2.393 -1.411 1.00 0.00 N ATOM 0 H ASN A 79 9.364 -2.698 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 79 10.828 -0.366 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.499 -2.743 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.784 -3.107 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.048 -1.999 -1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.948 -3.374 -1.181 1.00 0.00 H new ATOM 1264 N TYR A 80 9.957 -2.014 -4.500 1.00 0.00 N ATOM 1265 CA TYR A 80 9.837 -1.933 -5.947 1.00 0.00 C ATOM 1266 C TYR A 80 8.845 -0.840 -6.315 1.00 0.00 C ATOM 1267 O TYR A 80 8.986 -0.171 -7.338 1.00 0.00 O ATOM 1268 CB TYR A 80 9.374 -3.274 -6.518 1.00 0.00 C ATOM 1269 CG TYR A 80 9.547 -3.392 -8.015 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.807 -3.326 -8.595 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.450 -3.572 -8.850 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.971 -3.435 -9.962 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.606 -3.682 -10.218 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.867 -3.613 -10.769 1.00 0.00 C ATOM 1275 OH TYR A 80 10.026 -3.723 -12.131 1.00 0.00 O ATOM 0 H TYR A 80 9.483 -2.816 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 80 10.812 -1.694 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.930 -4.076 -6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.323 -3.420 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.674 -3.187 -7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.460 -3.627 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.958 -3.381 -10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.743 -3.821 -10.853 1.00 0.00 H new ATOM 0 HH TYR A 80 9.150 -3.845 -12.554 1.00 0.00 H new ATOM 1285 N HIS A 81 7.845 -0.658 -5.456 1.00 0.00 N ATOM 1286 CA HIS A 81 6.829 0.360 -5.668 1.00 0.00 C ATOM 1287 C HIS A 81 7.439 1.749 -5.529 1.00 0.00 C ATOM 1288 O HIS A 81 7.020 2.686 -6.202 1.00 0.00 O ATOM 1289 CB HIS A 81 5.678 0.189 -4.670 1.00 0.00 C ATOM 1290 CG HIS A 81 4.494 -0.531 -5.236 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.605 -1.624 -6.068 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.166 -0.309 -5.084 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.397 -2.042 -6.406 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.508 -1.262 -5.821 1.00 0.00 N ATOM 0 H HIS A 81 7.720 -1.206 -4.605 1.00 0.00 H new ATOM 0 HA HIS A 81 6.433 0.246 -6.677 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.042 -0.356 -3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.362 1.172 -4.321 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.482 -2.045 -6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.710 0.472 -4.493 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.176 -2.879 -7.051 1.00 0.00 H new ATOM 1303 N ARG A 82 8.432 1.874 -4.651 1.00 0.00 N ATOM 1304 CA ARG A 82 9.089 3.158 -4.431 1.00 0.00 C ATOM 1305 C ARG A 82 10.017 3.498 -5.578 1.00 0.00 C ATOM 1306 O ARG A 82 10.180 4.661 -5.940 1.00 0.00 O ATOM 1307 CB ARG A 82 9.855 3.160 -3.104 1.00 0.00 C ATOM 1308 CG ARG A 82 10.749 4.377 -2.915 1.00 0.00 C ATOM 1309 CD ARG A 82 11.600 4.255 -1.662 1.00 0.00 C ATOM 1310 NE ARG A 82 10.967 4.885 -0.504 1.00 0.00 N ATOM 1311 CZ ARG A 82 10.994 6.194 -0.264 1.00 0.00 C ATOM 1312 NH1 ARG A 82 11.612 7.017 -1.101 1.00 0.00 N ATOM 1313 NH2 ARG A 82 10.397 6.681 0.816 1.00 0.00 N ATOM 0 H ARG A 82 8.796 1.108 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 82 8.314 3.923 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.140 3.114 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.466 2.259 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.395 4.493 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.134 5.275 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.780 3.202 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.572 4.715 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 82 10.476 4.286 0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.070 6.648 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.629 8.019 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.918 6.053 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.417 7.684 1.001 1.00 0.00 H new ATOM 1327 N ALA A 83 10.606 2.479 -6.153 1.00 0.00 N ATOM 1328 CA ALA A 83 11.498 2.669 -7.276 1.00 0.00 C ATOM 1329 C ALA A 83 10.670 2.949 -8.516 1.00 0.00 C ATOM 1330 O ALA A 83 10.705 4.041 -9.076 1.00 0.00 O ATOM 1331 CB ALA A 83 12.378 1.443 -7.478 1.00 0.00 C ATOM 0 H ALA A 83 10.486 1.508 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 83 12.156 3.516 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.041 1.607 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.973 1.270 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.751 0.573 -7.670 1.00 0.00 H new ATOM 1337 N GLN A 84 9.906 1.944 -8.916 1.00 0.00 N ATOM 1338 CA GLN A 84 9.027 2.054 -10.070 1.00 0.00 C ATOM 1339 C GLN A 84 7.595 2.362 -9.641 1.00 0.00 C ATOM 1340 O GLN A 84 7.163 1.959 -8.561 1.00 0.00 O ATOM 1341 CB GLN A 84 9.066 0.767 -10.897 1.00 0.00 C ATOM 1342 CG GLN A 84 9.228 1.006 -12.388 1.00 0.00 C ATOM 1343 CD GLN A 84 10.644 1.401 -12.764 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.601 0.691 -12.457 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.782 2.540 -13.433 1.00 0.00 N ATOM 0 H GLN A 84 9.877 1.035 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 84 9.383 2.879 -10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.889 0.144 -10.546 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.147 0.207 -10.725 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.951 0.102 -12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.540 1.790 -12.704 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.960 3.097 -13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.710 2.858 -13.713 1.00 0.00 H new ATOM 1354 N SER A 85 6.852 3.045 -10.503 1.00 0.00 N ATOM 1355 CA SER A 85 5.458 3.365 -10.218 1.00 0.00 C ATOM 1356 C SER A 85 4.537 2.318 -10.852 1.00 0.00 C ATOM 1357 O SER A 85 3.330 2.524 -10.963 1.00 0.00 O ATOM 1358 CB SER A 85 5.107 4.755 -10.756 1.00 0.00 C ATOM 1359 OG SER A 85 6.276 5.507 -11.035 1.00 0.00 O ATOM 0 H SER A 85 7.190 3.387 -11.403 1.00 0.00 H new ATOM 0 HA SER A 85 5.317 3.360 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.510 4.657 -11.662 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.495 5.286 -10.027 1.00 0.00 H new ATOM 0 HG SER A 85 6.023 6.389 -11.379 1.00 0.00 H new ATOM 1365 N LEU A 86 5.121 1.194 -11.275 1.00 0.00 N ATOM 1366 CA LEU A 86 4.362 0.118 -11.907 1.00 0.00 C ATOM 1367 C LEU A 86 3.130 -0.246 -11.087 1.00 0.00 C ATOM 1368 O LEU A 86 3.227 -0.524 -9.891 1.00 0.00 O ATOM 1369 CB LEU A 86 5.247 -1.116 -12.094 1.00 0.00 C ATOM 1370 CG LEU A 86 4.988 -1.911 -13.375 1.00 0.00 C ATOM 1371 CD1 LEU A 86 3.622 -2.576 -13.324 1.00 0.00 C ATOM 1372 CD2 LEU A 86 5.096 -1.004 -14.593 1.00 0.00 C ATOM 0 H LEU A 86 6.120 1.008 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 86 4.029 0.473 -12.882 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.290 -0.801 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.107 -1.778 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 86 5.745 -2.691 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.456 -3.137 -14.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.579 -3.255 -12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.850 -1.814 -13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.909 -1.584 -15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.360 -0.204 -14.517 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.096 -0.574 -14.639 1.00 0.00 H new ATOM 1384 N SER A 87 1.969 -0.238 -11.738 1.00 0.00 N ATOM 1385 CA SER A 87 0.715 -0.563 -11.068 1.00 0.00 C ATOM 1386 C SER A 87 0.556 0.254 -9.789 1.00 0.00 C ATOM 1387 O SER A 87 -0.127 -0.163 -8.854 1.00 0.00 O ATOM 1388 CB SER A 87 0.657 -2.056 -10.742 1.00 0.00 C ATOM 1389 OG SER A 87 1.407 -2.812 -11.677 1.00 0.00 O ATOM 0 H SER A 87 1.872 -0.010 -12.727 1.00 0.00 H new ATOM 0 HA SER A 87 -0.104 -0.314 -11.743 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.044 -2.227 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.380 -2.392 -10.746 1.00 0.00 H new ATOM 0 HG SER A 87 0.952 -2.804 -12.545 1.00 0.00 H new ATOM 1395 N HIS A 88 1.194 1.420 -9.757 1.00 0.00 N ATOM 1396 CA HIS A 88 1.129 2.295 -8.597 1.00 0.00 C ATOM 1397 C HIS A 88 1.218 3.761 -9.026 1.00 0.00 C ATOM 1398 O HIS A 88 2.197 4.186 -9.639 1.00 0.00 O ATOM 1399 CB HIS A 88 2.243 1.933 -7.609 1.00 0.00 C ATOM 1400 CG HIS A 88 2.418 2.925 -6.504 1.00 0.00 C ATOM 1401 ND1 HIS A 88 3.522 2.946 -5.681 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.617 3.929 -6.082 1.00 0.00 C ATOM 1403 CE1 HIS A 88 3.391 3.920 -4.801 1.00 0.00 C ATOM 1404 NE2 HIS A 88 2.244 4.534 -5.023 1.00 0.00 N ATOM 0 H HIS A 88 1.762 1.779 -10.524 1.00 0.00 H new ATOM 0 HA HIS A 88 0.171 2.156 -8.097 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.028 0.956 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.183 1.841 -8.154 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.316 2.309 -5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.660 4.204 -6.501 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.103 4.172 -4.029 1.00 0.00 H new ATOM 1413 N GLY A 89 0.169 4.517 -8.714 1.00 0.00 N ATOM 1414 CA GLY A 89 0.095 5.924 -9.078 1.00 0.00 C ATOM 1415 C GLY A 89 1.408 6.685 -8.975 1.00 0.00 C ATOM 1416 O GLY A 89 1.829 7.327 -9.937 1.00 0.00 O ATOM 0 H GLY A 89 -0.646 4.173 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.272 6.000 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.641 6.411 -8.438 1.00 0.00 H new ATOM 1420 N LEU A 90 2.039 6.647 -7.807 1.00 0.00 N ATOM 1421 CA LEU A 90 3.286 7.375 -7.601 1.00 0.00 C ATOM 1422 C LEU A 90 4.152 6.703 -6.534 1.00 0.00 C ATOM 1423 O LEU A 90 3.728 6.539 -5.392 1.00 0.00 O ATOM 1424 CB LEU A 90 2.956 8.825 -7.220 1.00 0.00 C ATOM 1425 CG LEU A 90 4.016 9.578 -6.414 1.00 0.00 C ATOM 1426 CD1 LEU A 90 3.914 11.072 -6.679 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.857 9.288 -4.928 1.00 0.00 C ATOM 0 H LEU A 90 1.711 6.125 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 90 3.865 7.368 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.764 9.383 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.029 8.824 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 90 5.002 9.236 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.674 11.597 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.070 11.265 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.926 11.427 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.618 9.831 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.868 9.607 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.971 8.218 -4.752 1.00 0.00 H new ATOM 1439 N ARG A 91 5.364 6.314 -6.941 1.00 0.00 N ATOM 1440 CA ARG A 91 6.340 5.638 -6.071 1.00 0.00 C ATOM 1441 C ARG A 91 6.070 5.838 -4.577 1.00 0.00 C ATOM 1442 O ARG A 91 5.779 6.946 -4.129 1.00 0.00 O ATOM 1443 CB ARG A 91 7.750 6.129 -6.395 1.00 0.00 C ATOM 1444 CG ARG A 91 8.289 5.625 -7.722 1.00 0.00 C ATOM 1445 CD ARG A 91 9.346 6.565 -8.286 1.00 0.00 C ATOM 1446 NE ARG A 91 10.174 7.167 -7.240 1.00 0.00 N ATOM 1447 CZ ARG A 91 11.433 6.811 -6.982 1.00 0.00 C ATOM 1448 NH1 ARG A 91 12.016 5.838 -7.672 1.00 0.00 N ATOM 1449 NH2 ARG A 91 12.108 7.426 -6.021 1.00 0.00 N ATOM 0 H ARG A 91 5.702 6.459 -7.892 1.00 0.00 H new ATOM 0 HA ARG A 91 6.242 4.571 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.751 7.219 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.425 5.816 -5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.717 4.632 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.470 5.526 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.984 6.016 -8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.858 7.354 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 91 9.761 7.907 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.500 5.355 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.979 5.574 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.664 8.169 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.071 7.156 -5.821 1.00 0.00 H new ATOM 1463 N LEU A 92 6.182 4.750 -3.812 1.00 0.00 N ATOM 1464 CA LEU A 92 5.957 4.806 -2.367 1.00 0.00 C ATOM 1465 C LEU A 92 6.948 5.745 -1.690 1.00 0.00 C ATOM 1466 O LEU A 92 8.153 5.655 -1.918 1.00 0.00 O ATOM 1467 CB LEU A 92 6.024 3.416 -1.740 1.00 0.00 C ATOM 1468 CG LEU A 92 4.754 3.059 -0.978 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.265 1.658 -1.312 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.937 3.239 0.522 1.00 0.00 C ATOM 0 H LEU A 92 6.426 3.825 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 92 4.953 5.200 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.195 2.676 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.876 3.367 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 92 3.980 3.754 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.358 1.445 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.052 1.592 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.035 0.932 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.012 2.976 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.742 2.592 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.188 4.278 0.736 1.00 0.00 H new ATOM 1482 N ALA A 93 6.437 6.655 -0.858 1.00 0.00 N ATOM 1483 CA ALA A 93 7.296 7.610 -0.165 1.00 0.00 C ATOM 1484 C ALA A 93 6.628 8.204 1.077 1.00 0.00 C ATOM 1485 O ALA A 93 6.688 9.413 1.300 1.00 0.00 O ATOM 1486 CB ALA A 93 7.706 8.721 -1.117 1.00 0.00 C ATOM 0 H ALA A 93 5.443 6.749 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 93 8.178 7.067 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.347 9.430 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.249 8.295 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.816 9.235 -1.480 1.00 0.00 H new ATOM 1492 N ALA A 94 6.005 7.354 1.891 1.00 0.00 N ATOM 1493 CA ALA A 94 5.347 7.812 3.115 1.00 0.00 C ATOM 1494 C ALA A 94 4.540 6.685 3.764 1.00 0.00 C ATOM 1495 O ALA A 94 3.923 5.876 3.072 1.00 0.00 O ATOM 1496 CB ALA A 94 4.457 9.017 2.834 1.00 0.00 C ATOM 0 H ALA A 94 5.942 6.349 1.727 1.00 0.00 H new ATOM 0 HA ALA A 94 6.124 8.116 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.979 9.339 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.062 9.831 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.693 8.743 2.107 1.00 0.00 H new ATOM 1502 N PRO A 95 4.550 6.612 5.109 1.00 0.00 N ATOM 1503 CA PRO A 95 3.839 5.577 5.858 1.00 0.00 C ATOM 1504 C PRO A 95 2.416 5.976 6.244 1.00 0.00 C ATOM 1505 O PRO A 95 2.065 5.963 7.425 1.00 0.00 O ATOM 1506 CB PRO A 95 4.702 5.452 7.107 1.00 0.00 C ATOM 1507 CG PRO A 95 5.183 6.842 7.363 1.00 0.00 C ATOM 1508 CD PRO A 95 5.278 7.521 6.015 1.00 0.00 C ATOM 0 HA PRO A 95 3.714 4.662 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.128 5.068 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.534 4.766 6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.495 7.376 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.153 6.831 7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.826 8.513 6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.315 7.649 5.704 1.00 0.00 H new ATOM 1516 N CYS A 96 1.596 6.326 5.251 1.00 0.00 N ATOM 1517 CA CYS A 96 0.207 6.726 5.500 1.00 0.00 C ATOM 1518 C CYS A 96 0.086 7.564 6.772 1.00 0.00 C ATOM 1519 O CYS A 96 -0.916 7.491 7.483 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.685 5.487 5.611 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.493 4.568 7.161 1.00 0.00 S ATOM 0 H CYS A 96 1.868 6.341 4.268 1.00 0.00 H new ATOM 0 HA CYS A 96 -0.119 7.337 4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.726 5.793 5.510 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.466 4.820 4.777 1.00 0.00 H new ATOM 0 HG CYS A 96 0.511 5.051 7.830 1.00 0.00 H new ATOM 1527 N ARG A 97 1.120 8.344 7.061 1.00 0.00 N ATOM 1528 CA ARG A 97 1.135 9.178 8.256 1.00 0.00 C ATOM 1529 C ARG A 97 0.990 8.315 9.507 1.00 0.00 C ATOM 1530 O ARG A 97 1.201 7.102 9.460 1.00 0.00 O ATOM 1531 CB ARG A 97 0.011 10.212 8.194 1.00 0.00 C ATOM 1532 CG ARG A 97 0.394 11.557 8.787 1.00 0.00 C ATOM 1533 CD ARG A 97 -0.725 12.134 9.639 1.00 0.00 C ATOM 1534 NE ARG A 97 -0.258 12.539 10.962 1.00 0.00 N ATOM 1535 CZ ARG A 97 -1.056 13.004 11.920 1.00 0.00 C ATOM 1536 NH1 ARG A 97 -2.362 13.121 11.706 1.00 0.00 N ATOM 1537 NH2 ARG A 97 -0.550 13.351 13.095 1.00 0.00 N ATOM 0 H ARG A 97 1.959 8.417 6.485 1.00 0.00 H new ATOM 0 HA ARG A 97 2.090 9.702 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.286 10.353 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.859 9.824 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.293 11.445 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.636 12.253 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.160 12.994 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.517 11.393 9.746 1.00 0.00 H new ATOM 0 HE ARG A 97 0.739 12.461 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.757 12.854 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.970 13.478 12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.452 13.262 13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.162 13.707 13.829 1.00 0.00 H new ATOM 1551 N LYS A 98 0.625 8.937 10.624 1.00 0.00 N ATOM 1552 CA LYS A 98 0.451 8.211 11.878 1.00 0.00 C ATOM 1553 C LYS A 98 1.768 7.591 12.334 1.00 0.00 C ATOM 1554 O LYS A 98 2.044 6.423 12.059 1.00 0.00 O ATOM 1555 CB LYS A 98 -0.610 7.122 11.713 1.00 0.00 C ATOM 1556 CG LYS A 98 -0.936 6.385 13.001 1.00 0.00 C ATOM 1557 CD LYS A 98 -2.088 7.044 13.742 1.00 0.00 C ATOM 1558 CE LYS A 98 -1.588 7.989 14.823 1.00 0.00 C ATOM 1559 NZ LYS A 98 -1.657 9.413 14.391 1.00 0.00 N ATOM 0 H LYS A 98 0.444 9.939 10.687 1.00 0.00 H new ATOM 0 HA LYS A 98 0.122 8.918 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.522 7.573 11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.266 6.402 10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.192 5.350 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.055 6.363 13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.709 7.594 13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.719 6.277 14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.183 7.854 15.726 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.559 7.737 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.759 9.888 14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.825 9.457 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.435 9.890 14.890 1.00 0.00 H new ATOM 1573 N HIS A 99 2.578 8.380 13.033 1.00 0.00 N ATOM 1574 CA HIS A 99 3.867 7.909 13.528 1.00 0.00 C ATOM 1575 C HIS A 99 3.893 7.891 15.053 1.00 0.00 C ATOM 1576 O HIS A 99 2.976 8.389 15.705 1.00 0.00 O ATOM 1577 CB HIS A 99 4.995 8.796 12.998 1.00 0.00 C ATOM 1578 CG HIS A 99 4.996 8.934 11.508 1.00 0.00 C ATOM 1579 ND1 HIS A 99 6.110 8.695 10.731 1.00 0.00 N ATOM 1580 CD2 HIS A 99 4.011 9.291 10.650 1.00 0.00 C ATOM 1581 CE1 HIS A 99 5.811 8.898 9.460 1.00 0.00 C ATOM 1582 NE2 HIS A 99 4.543 9.259 9.384 1.00 0.00 N ATOM 0 H HIS A 99 2.364 9.349 13.270 1.00 0.00 H new ATOM 0 HA HIS A 99 4.015 6.890 13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 99 4.909 9.786 13.447 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.952 8.383 13.317 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.023 8.406 11.083 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.996 9.552 10.912 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.488 8.788 8.626 1.00 0.00 H new ATOM 1591 N GLU A 100 4.950 7.313 15.614 1.00 0.00 N ATOM 1592 CA GLU A 100 5.097 7.230 17.062 1.00 0.00 C ATOM 1593 C GLU A 100 3.930 6.471 17.687 1.00 0.00 C ATOM 1594 O GLU A 100 4.081 5.255 17.935 1.00 0.00 O ATOM 1595 CB GLU A 100 5.194 8.631 17.668 1.00 0.00 C ATOM 1596 CG GLU A 100 6.240 8.750 18.764 1.00 0.00 C ATOM 1597 CD GLU A 100 6.887 10.121 18.807 1.00 0.00 C ATOM 1598 OE1 GLU A 100 6.287 11.043 19.399 1.00 0.00 O ATOM 1599 OE2 GLU A 100 7.994 10.273 18.249 1.00 0.00 O ATOM 1600 OXT GLU A 100 2.877 7.098 17.924 1.00 0.00 O ATOM 0 H GLU A 100 5.717 6.895 15.088 1.00 0.00 H new ATOM 0 HA GLU A 100 6.016 6.685 17.277 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.426 9.344 16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.222 8.910 18.074 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.776 8.541 19.728 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.010 7.994 18.610 1.00 0.00 H new TER 1607 GLU A 100