USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 993 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 113 LYS NZ :NH3+ 146:sc= 0.824 (180deg=-0.161) USER MOD Set 1.2: A 117 CYS SG : rot 89:sc= 0.624 USER MOD Set 2.1: A 111 LYS NZ :NH3+ -139:sc= 1.71 (180deg=1.12) USER MOD Set 2.2: A 112 GLN : amide:sc= 0.527 K(o=2.2,f=-1.8) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0.0607 USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 1.29 (180deg=1.19) USER MOD Single : A 11 TYR OH : rot -151:sc= 0.115 USER MOD Single : A 12 SER OG : rot 41:sc= 0.217 USER MOD Single : A 13 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.025) USER MOD Single : A 25 SER OG : rot 12:sc= 0.046 USER MOD Single : A 26 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0366 (180deg=-0.432) USER MOD Single : A 34 ASN : amide:sc= -5.33! C(o=-5.3!,f=-4.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.93 (180deg=1.93) USER MOD Single : A 40 ASN : amide:sc= 1.15 K(o=1.2,f=0.077) USER MOD Single : A 43 ASN : amide:sc= 0.924 K(o=0.92,f=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.0317 (180deg=-0.179) USER MOD Single : A 48 MET CE :methyl -106:sc= -0.154 (180deg=-2.18!) USER MOD Single : A 50 MET CE :methyl 171:sc= -2.26 (180deg=-2.38) USER MOD Single : A 54 GLN : amide:sc=-0.00173 K(o=-0.0017,f=-1.8) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0528) USER MOD Single : A 59 CYS SG : rot 34:sc= 0.776 USER MOD Single : A 61 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.7!) USER MOD Single : A 62 HIS : no HD1:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 68 MET CE :methyl 134:sc= -0.361 (180deg=-1.68!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -110:sc= -0.841 USER MOD Single : A 81 MET CE :methyl -144:sc= -0.103 (180deg=-0.472) USER MOD Single : A 85 SER OG : rot 180:sc= 0.105 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.368) USER MOD Single : A 96 GLN : amide:sc= -5.38! K(o=-5.4!,f=-0.14) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -170:sc= -0.905 USER MOD Single : A 118 GLN : amide:sc= -3.99! C(o=-4!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -11.784 -6.072 -9.438 1.00 0.00 N ATOM 44 CA GLU A 5 -10.785 -5.488 -10.222 1.00 0.00 C ATOM 45 C GLU A 5 -10.921 -4.039 -9.903 1.00 0.00 C ATOM 46 O GLU A 5 -10.902 -3.701 -8.716 1.00 0.00 O ATOM 47 CB GLU A 5 -10.937 -5.848 -11.729 1.00 0.00 C ATOM 48 CG GLU A 5 -12.229 -5.425 -12.336 1.00 0.00 C ATOM 49 CD GLU A 5 -13.407 -6.282 -11.987 1.00 0.00 C ATOM 50 OE1 GLU A 5 -13.689 -7.248 -12.717 1.00 0.00 O ATOM 51 OE2 GLU A 5 -14.088 -5.988 -10.993 1.00 0.00 O ATOM 0 HA GLU A 5 -9.779 -5.848 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.120 -5.386 -12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.831 -6.927 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.440 -4.401 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.117 -5.413 -13.420 1.00 0.00 H new ATOM 58 N ASP A 6 -10.999 -3.202 -10.893 1.00 0.00 N ATOM 59 CA ASP A 6 -11.433 -1.800 -10.718 1.00 0.00 C ATOM 60 C ASP A 6 -10.366 -0.903 -10.124 1.00 0.00 C ATOM 61 O ASP A 6 -10.566 0.273 -9.890 1.00 0.00 O ATOM 62 CB ASP A 6 -12.731 -1.856 -9.906 1.00 0.00 C ATOM 63 CG ASP A 6 -13.275 -0.573 -9.397 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.093 0.055 -10.104 1.00 0.00 O ATOM 65 OD2 ASP A 6 -12.937 -0.190 -8.255 1.00 0.00 O ATOM 0 H ASP A 6 -10.769 -3.447 -11.856 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.614 -1.328 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.496 -2.324 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.566 -2.514 -9.053 1.00 0.00 H new ATOM 70 N GLU A 7 -9.234 -1.419 -9.996 1.00 0.00 N ATOM 71 CA GLU A 7 -8.175 -0.723 -9.465 1.00 0.00 C ATOM 72 C GLU A 7 -7.236 -0.387 -10.552 1.00 0.00 C ATOM 73 O GLU A 7 -7.016 -1.162 -11.496 1.00 0.00 O ATOM 74 CB GLU A 7 -7.546 -1.506 -8.308 1.00 0.00 C ATOM 75 CG GLU A 7 -6.793 -2.787 -8.720 1.00 0.00 C ATOM 76 CD GLU A 7 -7.626 -3.883 -9.286 1.00 0.00 C ATOM 77 OE1 GLU A 7 -7.837 -3.912 -10.516 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.057 -4.733 -8.533 1.00 0.00 O ATOM 0 H GLU A 7 -9.012 -2.376 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.504 0.219 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.854 -0.850 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.332 -1.776 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.035 -2.518 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.267 -3.172 -7.846 1.00 0.00 H new ATOM 85 N LYS A 8 -6.726 0.768 -10.460 1.00 0.00 N ATOM 86 CA LYS A 8 -5.849 1.234 -11.466 1.00 0.00 C ATOM 87 C LYS A 8 -4.477 1.625 -10.927 1.00 0.00 C ATOM 88 O LYS A 8 -4.322 1.842 -9.724 1.00 0.00 O ATOM 89 CB LYS A 8 -6.488 2.296 -12.359 1.00 0.00 C ATOM 90 CG LYS A 8 -6.890 3.573 -11.669 1.00 0.00 C ATOM 91 CD LYS A 8 -7.707 4.437 -12.608 1.00 0.00 C ATOM 92 CE LYS A 8 -8.057 5.752 -11.971 1.00 0.00 C ATOM 93 NZ LYS A 8 -9.056 6.499 -12.757 1.00 0.00 N ATOM 0 H LYS A 8 -6.896 1.421 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.659 0.385 -12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.789 2.541 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.372 1.865 -12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.470 3.345 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.002 4.115 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.146 4.613 -13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.620 3.911 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.443 5.577 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.155 6.355 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.922 7.520 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.939 6.278 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.012 6.227 -12.451 1.00 0.00 H new ATOM 107 N VAL A 9 -3.518 1.760 -11.827 1.00 0.00 N ATOM 108 CA VAL A 9 -2.132 1.945 -11.495 1.00 0.00 C ATOM 109 C VAL A 9 -1.809 3.404 -11.314 1.00 0.00 C ATOM 110 O VAL A 9 -1.969 4.223 -12.228 1.00 0.00 O ATOM 111 CB VAL A 9 -1.192 1.389 -12.609 1.00 0.00 C ATOM 112 CG1 VAL A 9 0.259 1.368 -12.143 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.628 0.015 -13.094 1.00 0.00 C ATOM 0 H VAL A 9 -3.695 1.742 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.966 1.400 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.268 2.068 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.891 0.976 -12.940 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.576 2.381 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.349 0.732 -11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.944 -0.331 -13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.616 -0.686 -12.260 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.637 0.076 -13.502 1.00 0.00 H new ATOM 123 N LEU A 10 -1.376 3.715 -10.150 1.00 0.00 N ATOM 124 CA LEU A 10 -0.890 5.058 -9.833 1.00 0.00 C ATOM 125 C LEU A 10 0.566 5.190 -10.207 1.00 0.00 C ATOM 126 O LEU A 10 0.945 6.040 -11.012 1.00 0.00 O ATOM 127 CB LEU A 10 -1.088 5.437 -8.348 1.00 0.00 C ATOM 128 CG LEU A 10 -2.522 5.678 -7.860 1.00 0.00 C ATOM 129 CD1 LEU A 10 -3.221 6.731 -8.695 1.00 0.00 C ATOM 130 CD2 LEU A 10 -3.318 4.402 -7.828 1.00 0.00 C ATOM 0 H LEU A 10 -1.337 3.062 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.489 5.753 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.655 4.644 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.511 6.341 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.455 6.052 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.235 6.877 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.672 7.670 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.260 6.404 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.328 4.612 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.363 3.976 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.840 3.692 -7.153 1.00 0.00 H new ATOM 142 N TYR A 11 1.363 4.339 -9.646 1.00 0.00 N ATOM 143 CA TYR A 11 2.788 4.340 -9.881 1.00 0.00 C ATOM 144 C TYR A 11 3.327 2.938 -9.776 1.00 0.00 C ATOM 145 O TYR A 11 2.786 2.116 -9.018 1.00 0.00 O ATOM 146 CB TYR A 11 3.527 5.296 -8.914 1.00 0.00 C ATOM 147 CG TYR A 11 3.305 5.024 -7.430 1.00 0.00 C ATOM 148 CD1 TYR A 11 2.239 5.600 -6.758 1.00 0.00 C ATOM 149 CD2 TYR A 11 4.173 4.212 -6.704 1.00 0.00 C ATOM 150 CE1 TYR A 11 2.034 5.380 -5.418 1.00 0.00 C ATOM 151 CE2 TYR A 11 3.974 3.990 -5.355 1.00 0.00 C ATOM 152 CZ TYR A 11 2.902 4.580 -4.719 1.00 0.00 C ATOM 153 OH TYR A 11 2.705 4.380 -3.376 1.00 0.00 O ATOM 0 H TYR A 11 1.049 3.612 -9.003 1.00 0.00 H new ATOM 0 HA TYR A 11 2.966 4.710 -10.891 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.596 5.240 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.214 6.317 -9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.554 6.236 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.013 3.750 -7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.193 5.835 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.654 3.358 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 11 3.566 4.207 -2.941 1.00 0.00 H new ATOM 163 N SER A 12 4.316 2.654 -10.574 1.00 0.00 N ATOM 164 CA SER A 12 4.969 1.416 -10.615 1.00 0.00 C ATOM 165 C SER A 12 6.493 1.629 -10.538 1.00 0.00 C ATOM 166 O SER A 12 7.058 2.322 -11.391 1.00 0.00 O ATOM 167 CB SER A 12 4.577 0.793 -11.931 1.00 0.00 C ATOM 168 OG SER A 12 4.709 1.726 -12.998 1.00 0.00 O ATOM 0 H SER A 12 4.694 3.328 -11.240 1.00 0.00 H new ATOM 0 HA SER A 12 4.692 0.774 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.203 -0.078 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.547 0.440 -11.878 1.00 0.00 H new ATOM 0 HG SER A 12 5.527 2.251 -12.874 1.00 0.00 H new ATOM 174 N GLN A 13 7.150 1.054 -9.540 1.00 0.00 N ATOM 175 CA GLN A 13 8.603 1.219 -9.401 1.00 0.00 C ATOM 176 C GLN A 13 9.256 0.003 -8.776 1.00 0.00 C ATOM 177 O GLN A 13 8.638 -0.709 -8.024 1.00 0.00 O ATOM 178 CB GLN A 13 8.962 2.528 -8.665 1.00 0.00 C ATOM 179 CG GLN A 13 10.452 2.843 -8.607 1.00 0.00 C ATOM 180 CD GLN A 13 10.763 4.101 -7.843 1.00 0.00 C ATOM 181 OE1 GLN A 13 10.803 5.192 -8.405 1.00 0.00 O ATOM 182 NE2 GLN A 13 11.009 3.966 -6.574 1.00 0.00 N ATOM 0 H GLN A 13 6.714 0.476 -8.821 1.00 0.00 H new ATOM 0 HA GLN A 13 9.015 1.304 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.449 3.356 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.577 2.473 -7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.976 2.006 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.836 2.938 -9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.966 3.043 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.245 4.783 -6.011 1.00 0.00 H new ATOM 191 N ARG A 14 10.520 -0.194 -9.073 1.00 0.00 N ATOM 192 CA ARG A 14 11.231 -1.350 -8.635 1.00 0.00 C ATOM 193 C ARG A 14 11.634 -1.218 -7.177 1.00 0.00 C ATOM 194 O ARG A 14 12.330 -0.281 -6.767 1.00 0.00 O ATOM 195 CB ARG A 14 12.429 -1.598 -9.535 1.00 0.00 C ATOM 196 CG ARG A 14 13.048 -2.975 -9.387 1.00 0.00 C ATOM 197 CD ARG A 14 13.960 -3.268 -10.562 1.00 0.00 C ATOM 198 NE ARG A 14 13.224 -3.168 -11.844 1.00 0.00 N ATOM 199 CZ ARG A 14 13.718 -3.476 -13.052 1.00 0.00 C ATOM 200 NH1 ARG A 14 14.949 -3.951 -13.176 1.00 0.00 N ATOM 201 NH2 ARG A 14 12.965 -3.313 -14.139 1.00 0.00 N ATOM 0 H ARG A 14 11.078 0.454 -9.629 1.00 0.00 H new ATOM 0 HA ARG A 14 10.575 -2.217 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.124 -1.459 -10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.189 -0.846 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.613 -3.030 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.264 -3.730 -9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.795 -2.567 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.383 -4.267 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 14 12.260 -2.837 -11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.530 -4.085 -12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.316 -4.182 -14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.014 -2.954 -14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.339 -3.547 -15.059 1.00 0.00 H new ATOM 215 N VAL A 15 11.166 -2.154 -6.433 1.00 0.00 N ATOM 216 CA VAL A 15 11.323 -2.245 -5.027 1.00 0.00 C ATOM 217 C VAL A 15 11.861 -3.648 -4.727 1.00 0.00 C ATOM 218 O VAL A 15 11.991 -4.478 -5.642 1.00 0.00 O ATOM 219 CB VAL A 15 9.920 -2.075 -4.342 1.00 0.00 C ATOM 220 CG1 VAL A 15 9.058 -3.334 -4.479 1.00 0.00 C ATOM 221 CG2 VAL A 15 10.027 -1.631 -2.896 1.00 0.00 C ATOM 0 H VAL A 15 10.626 -2.930 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 15 11.999 -1.475 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 15 9.415 -1.273 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.097 -3.172 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.897 -3.551 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.566 -4.176 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.028 -1.529 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.589 -2.373 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.541 -0.671 -2.847 1.00 0.00 H new ATOM 231 N LYS A 16 12.181 -3.902 -3.499 1.00 0.00 N ATOM 232 CA LYS A 16 12.561 -5.216 -3.071 1.00 0.00 C ATOM 233 C LYS A 16 11.418 -5.688 -2.199 1.00 0.00 C ATOM 234 O LYS A 16 10.969 -4.910 -1.338 1.00 0.00 O ATOM 235 CB LYS A 16 13.842 -5.149 -2.225 1.00 0.00 C ATOM 236 CG LYS A 16 14.985 -4.363 -2.859 1.00 0.00 C ATOM 237 CD LYS A 16 16.225 -4.381 -1.983 1.00 0.00 C ATOM 238 CE LYS A 16 17.339 -3.520 -2.558 1.00 0.00 C ATOM 239 NZ LYS A 16 17.855 -4.038 -3.839 1.00 0.00 N ATOM 0 H LYS A 16 12.187 -3.201 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 16 12.752 -5.878 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.601 -4.700 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.184 -6.165 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.222 -4.786 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.671 -3.333 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.969 -4.025 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.578 -5.407 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.970 -2.505 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.156 -3.462 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.656 -3.454 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.171 -5.021 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.102 -4.005 -4.555 1.00 0.00 H new ATOM 253 N LEU A 17 10.925 -6.917 -2.377 1.00 0.00 N ATOM 254 CA LEU A 17 9.842 -7.355 -1.554 1.00 0.00 C ATOM 255 C LEU A 17 10.424 -8.263 -0.551 1.00 0.00 C ATOM 256 O LEU A 17 11.409 -8.917 -0.825 1.00 0.00 O ATOM 257 CB LEU A 17 8.747 -8.098 -2.365 1.00 0.00 C ATOM 258 CG LEU A 17 7.622 -8.775 -1.541 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.776 -7.759 -0.788 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.755 -9.684 -2.408 1.00 0.00 C ATOM 0 H LEU A 17 11.258 -7.592 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 17 9.353 -6.494 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.288 -7.386 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.231 -8.861 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 17 8.113 -9.402 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.000 -8.278 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.409 -7.196 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.312 -7.074 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.978 -10.140 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.292 -9.097 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.374 -10.465 -2.849 1.00 0.00 H new ATOM 272 N PHE A 18 9.878 -8.250 0.589 1.00 0.00 N ATOM 273 CA PHE A 18 10.292 -9.067 1.689 1.00 0.00 C ATOM 274 C PHE A 18 9.081 -9.690 2.320 1.00 0.00 C ATOM 275 O PHE A 18 8.071 -9.031 2.492 1.00 0.00 O ATOM 276 CB PHE A 18 11.006 -8.222 2.751 1.00 0.00 C ATOM 277 CG PHE A 18 12.446 -7.860 2.488 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.803 -7.031 1.440 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.444 -8.346 3.317 1.00 0.00 C ATOM 280 CE1 PHE A 18 14.122 -6.701 1.221 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.766 -8.018 3.102 1.00 0.00 C ATOM 282 CZ PHE A 18 15.106 -7.195 2.052 1.00 0.00 C ATOM 0 H PHE A 18 9.088 -7.645 0.813 1.00 0.00 H new ATOM 0 HA PHE A 18 10.974 -9.831 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.443 -7.298 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.960 -8.760 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.039 -6.638 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.183 -8.991 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.386 -6.054 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.533 -8.406 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.140 -6.937 1.879 1.00 0.00 H new ATOM 292 N ARG A 19 9.167 -10.945 2.617 1.00 0.00 N ATOM 293 CA ARG A 19 8.154 -11.626 3.344 1.00 0.00 C ATOM 294 C ARG A 19 8.733 -12.113 4.607 1.00 0.00 C ATOM 295 O ARG A 19 9.892 -12.488 4.697 1.00 0.00 O ATOM 296 CB ARG A 19 7.544 -12.785 2.608 1.00 0.00 C ATOM 297 CG ARG A 19 6.518 -13.590 3.390 1.00 0.00 C ATOM 298 CD ARG A 19 6.241 -14.928 2.759 1.00 0.00 C ATOM 299 NE ARG A 19 5.714 -15.844 3.767 1.00 0.00 N ATOM 300 CZ ARG A 19 6.436 -16.814 4.361 1.00 0.00 C ATOM 301 NH1 ARG A 19 7.703 -17.028 4.003 1.00 0.00 N ATOM 302 NH2 ARG A 19 5.894 -17.560 5.319 1.00 0.00 N ATOM 0 H ARG A 19 9.958 -11.533 2.355 1.00 0.00 H new ATOM 0 HA ARG A 19 7.349 -10.910 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.070 -12.408 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.344 -13.456 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.876 -13.738 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.589 -13.023 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.525 -14.816 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.155 -15.334 2.326 1.00 0.00 H new ATOM 0 HE ARG A 19 4.736 -15.743 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.131 -16.456 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.244 -17.764 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.929 -17.399 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.444 -18.294 5.767 1.00 0.00 H new ATOM 316 N PHE A 20 7.921 -12.121 5.504 1.00 0.00 N ATOM 317 CA PHE A 20 8.195 -12.482 6.841 1.00 0.00 C ATOM 318 C PHE A 20 7.980 -13.943 6.951 1.00 0.00 C ATOM 319 O PHE A 20 6.879 -14.445 6.741 1.00 0.00 O ATOM 320 CB PHE A 20 7.241 -11.830 7.809 1.00 0.00 C ATOM 321 CG PHE A 20 7.687 -11.881 9.253 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.519 -10.906 9.769 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.276 -12.912 10.086 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.931 -10.954 11.087 1.00 0.00 C ATOM 325 CE2 PHE A 20 7.685 -12.965 11.399 1.00 0.00 C ATOM 326 CZ PHE A 20 8.513 -11.987 11.901 1.00 0.00 C ATOM 0 H PHE A 20 6.946 -11.859 5.357 1.00 0.00 H new ATOM 0 HA PHE A 20 9.211 -12.170 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.104 -10.788 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.268 -12.315 7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.851 -10.097 9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.626 -13.683 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.579 -10.184 11.479 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.356 -13.774 12.035 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.835 -12.028 12.931 1.00 0.00 H new ATOM 336 N ASP A 21 8.988 -14.601 7.221 1.00 0.00 N ATOM 337 CA ASP A 21 8.891 -15.992 7.482 1.00 0.00 C ATOM 338 C ASP A 21 8.834 -16.136 8.919 1.00 0.00 C ATOM 339 O ASP A 21 9.709 -15.739 9.587 1.00 0.00 O ATOM 340 CB ASP A 21 10.059 -16.794 7.007 1.00 0.00 C ATOM 341 CG ASP A 21 9.626 -18.198 6.661 1.00 0.00 C ATOM 342 OD1 ASP A 21 9.477 -19.023 7.557 1.00 0.00 O ATOM 343 OD2 ASP A 21 9.390 -18.481 5.470 1.00 0.00 O ATOM 0 H ASP A 21 9.931 -14.217 7.276 1.00 0.00 H new ATOM 0 HA ASP A 21 8.015 -16.364 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.504 -16.318 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.827 -16.823 7.780 1.00 0.00 H new ATOM 348 N ALA A 22 7.819 -16.657 9.351 1.00 0.00 N ATOM 349 CA ALA A 22 7.557 -16.920 10.748 1.00 0.00 C ATOM 350 C ALA A 22 8.494 -18.002 11.249 1.00 0.00 C ATOM 351 O ALA A 22 8.919 -17.997 12.402 1.00 0.00 O ATOM 352 CB ALA A 22 6.120 -17.326 10.937 1.00 0.00 C ATOM 0 H ALA A 22 7.057 -16.955 8.742 1.00 0.00 H new ATOM 0 HA ALA A 22 7.733 -16.013 11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.933 -17.522 11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.467 -16.523 10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.918 -18.228 10.359 1.00 0.00 H new ATOM 358 N GLU A 23 8.857 -18.892 10.349 1.00 0.00 N ATOM 359 CA GLU A 23 9.775 -19.956 10.641 1.00 0.00 C ATOM 360 C GLU A 23 11.200 -19.479 10.563 1.00 0.00 C ATOM 361 O GLU A 23 12.106 -20.125 11.085 1.00 0.00 O ATOM 362 CB GLU A 23 9.536 -21.131 9.736 1.00 0.00 C ATOM 363 CG GLU A 23 8.290 -21.877 10.102 1.00 0.00 C ATOM 364 CD GLU A 23 8.402 -22.496 11.464 1.00 0.00 C ATOM 365 OE1 GLU A 23 8.970 -23.606 11.576 1.00 0.00 O ATOM 366 OE2 GLU A 23 7.962 -21.887 12.455 1.00 0.00 O ATOM 0 H GLU A 23 8.516 -18.891 9.388 1.00 0.00 H new ATOM 0 HA GLU A 23 9.598 -20.286 11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.462 -20.785 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.390 -21.806 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.438 -21.198 10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.099 -22.654 9.362 1.00 0.00 H new ATOM 373 N VAL A 24 11.416 -18.346 9.889 1.00 0.00 N ATOM 374 CA VAL A 24 12.738 -17.734 9.930 1.00 0.00 C ATOM 375 C VAL A 24 12.710 -16.681 10.978 1.00 0.00 C ATOM 376 O VAL A 24 13.734 -16.161 11.427 1.00 0.00 O ATOM 377 CB VAL A 24 13.150 -17.050 8.604 1.00 0.00 C ATOM 378 CG1 VAL A 24 14.612 -16.597 8.612 1.00 0.00 C ATOM 379 CG2 VAL A 24 12.938 -17.980 7.519 1.00 0.00 C ATOM 0 H VAL A 24 10.720 -17.853 9.330 1.00 0.00 H new ATOM 0 HA VAL A 24 13.457 -18.530 10.126 1.00 0.00 H new ATOM 0 HB VAL A 24 12.537 -16.157 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.851 -16.123 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.767 -15.884 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.260 -17.461 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.224 -17.512 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.544 -18.871 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.885 -18.260 7.480 1.00 0.00 H new ATOM 389 N SER A 25 11.491 -16.437 11.418 1.00 0.00 N ATOM 390 CA SER A 25 11.129 -15.306 12.205 1.00 0.00 C ATOM 391 C SER A 25 11.615 -14.077 11.554 1.00 0.00 C ATOM 392 O SER A 25 11.902 -13.084 12.235 1.00 0.00 O ATOM 393 CB SER A 25 11.692 -15.449 13.550 1.00 0.00 C ATOM 394 OG SER A 25 10.945 -16.348 14.356 1.00 0.00 O ATOM 0 H SER A 25 10.704 -17.055 11.221 1.00 0.00 H new ATOM 0 HA SER A 25 10.044 -15.242 12.290 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.721 -15.801 13.475 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.724 -14.473 14.033 1.00 0.00 H new ATOM 0 HG SER A 25 10.314 -16.845 13.794 1.00 0.00 H new ATOM 400 N GLN A 26 11.669 -14.061 10.230 1.00 0.00 N ATOM 401 CA GLN A 26 12.297 -12.912 9.719 1.00 0.00 C ATOM 402 C GLN A 26 11.737 -12.467 8.386 1.00 0.00 C ATOM 403 O GLN A 26 11.241 -13.279 7.624 1.00 0.00 O ATOM 404 CB GLN A 26 13.794 -13.144 9.549 1.00 0.00 C ATOM 405 CG GLN A 26 14.601 -11.874 9.323 1.00 0.00 C ATOM 406 CD GLN A 26 15.975 -12.138 8.772 1.00 0.00 C ATOM 407 OE1 GLN A 26 16.928 -12.351 9.515 1.00 0.00 O ATOM 408 NE2 GLN A 26 16.104 -12.066 7.475 1.00 0.00 N ATOM 0 H GLN A 26 11.321 -14.759 9.573 1.00 0.00 H new ATOM 0 HA GLN A 26 12.105 -12.127 10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.175 -13.650 10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.953 -13.817 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.059 -11.224 8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.692 -11.336 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.287 -11.887 6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.021 -12.189 7.046 1.00 0.00 H new ATOM 417 N TRP A 27 11.850 -11.186 8.110 1.00 0.00 N ATOM 418 CA TRP A 27 11.588 -10.643 6.865 1.00 0.00 C ATOM 419 C TRP A 27 12.750 -11.018 5.932 1.00 0.00 C ATOM 420 O TRP A 27 13.913 -10.711 6.193 1.00 0.00 O ATOM 421 CB TRP A 27 11.438 -9.125 7.027 1.00 0.00 C ATOM 422 CG TRP A 27 12.510 -8.444 7.857 1.00 0.00 C ATOM 423 CD1 TRP A 27 13.693 -7.921 7.413 1.00 0.00 C ATOM 424 CD2 TRP A 27 12.478 -8.205 9.271 1.00 0.00 C ATOM 425 NE1 TRP A 27 14.402 -7.397 8.464 1.00 0.00 N ATOM 426 CE2 TRP A 27 13.677 -7.555 9.613 1.00 0.00 C ATOM 427 CE3 TRP A 27 11.554 -8.486 10.280 1.00 0.00 C ATOM 428 CZ2 TRP A 27 13.973 -7.182 10.914 1.00 0.00 C ATOM 429 CZ3 TRP A 27 11.849 -8.112 11.574 1.00 0.00 C ATOM 430 CH2 TRP A 27 13.050 -7.467 11.881 1.00 0.00 C ATOM 0 H TRP A 27 12.142 -10.494 8.801 1.00 0.00 H new ATOM 0 HA TRP A 27 10.665 -11.027 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 27 11.429 -8.671 6.036 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.468 -8.920 7.481 1.00 0.00 H new ATOM 0 HD1 TRP A 27 14.021 -7.921 6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 27 15.321 -6.960 8.399 1.00 0.00 H new ATOM 0 HE3 TRP A 27 10.625 -8.987 10.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 14.900 -6.684 11.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.141 -8.321 12.362 1.00 0.00 H new ATOM 0 HH2 TRP A 27 13.253 -7.188 12.904 1.00 0.00 H new ATOM 441 N LYS A 28 12.450 -11.753 4.932 1.00 0.00 N ATOM 442 CA LYS A 28 13.427 -12.186 3.985 1.00 0.00 C ATOM 443 C LYS A 28 12.973 -11.754 2.657 1.00 0.00 C ATOM 444 O LYS A 28 11.769 -11.759 2.383 1.00 0.00 O ATOM 445 CB LYS A 28 13.611 -13.702 4.056 1.00 0.00 C ATOM 446 CG LYS A 28 14.757 -14.241 3.223 1.00 0.00 C ATOM 447 CD LYS A 28 14.828 -15.754 3.305 1.00 0.00 C ATOM 448 CE LYS A 28 16.065 -16.284 2.603 1.00 0.00 C ATOM 449 NZ LYS A 28 17.309 -15.799 3.242 1.00 0.00 N ATOM 0 H LYS A 28 11.505 -12.082 4.736 1.00 0.00 H new ATOM 0 HA LYS A 28 14.401 -11.746 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.771 -13.987 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.687 -14.182 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.631 -13.936 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.696 -13.811 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.839 -16.064 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.936 -16.188 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.051 -17.374 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.050 -15.977 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.100 -16.420 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.508 -14.829 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.194 -15.807 4.276 1.00 0.00 H new ATOM 463 N GLU A 29 13.904 -11.354 1.846 1.00 0.00 N ATOM 464 CA GLU A 29 13.627 -10.838 0.612 1.00 0.00 C ATOM 465 C GLU A 29 12.982 -11.858 -0.262 1.00 0.00 C ATOM 466 O GLU A 29 13.391 -13.018 -0.334 1.00 0.00 O ATOM 467 CB GLU A 29 14.847 -10.212 -0.051 1.00 0.00 C ATOM 468 CG GLU A 29 15.988 -11.169 -0.300 1.00 0.00 C ATOM 469 CD GLU A 29 17.154 -10.492 -0.937 1.00 0.00 C ATOM 470 OE1 GLU A 29 17.174 -10.349 -2.179 1.00 0.00 O ATOM 471 OE2 GLU A 29 18.091 -10.103 -0.206 1.00 0.00 O ATOM 0 H GLU A 29 14.899 -11.394 2.066 1.00 0.00 H new ATOM 0 HA GLU A 29 12.915 -10.026 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.543 -9.775 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.205 -9.395 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.299 -11.616 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.646 -11.982 -0.940 1.00 0.00 H new ATOM 478 N ARG A 30 11.980 -11.419 -0.870 1.00 0.00 N ATOM 479 CA ARG A 30 11.209 -12.192 -1.789 1.00 0.00 C ATOM 480 C ARG A 30 11.850 -12.058 -3.132 1.00 0.00 C ATOM 481 O ARG A 30 11.816 -12.961 -3.949 1.00 0.00 O ATOM 482 CB ARG A 30 9.766 -11.688 -1.855 1.00 0.00 C ATOM 483 CG ARG A 30 8.881 -12.086 -0.680 1.00 0.00 C ATOM 484 CD ARG A 30 8.249 -13.466 -0.868 1.00 0.00 C ATOM 485 NE ARG A 30 9.213 -14.558 -0.990 1.00 0.00 N ATOM 486 CZ ARG A 30 8.959 -15.726 -1.582 1.00 0.00 C ATOM 487 NH1 ARG A 30 7.736 -15.986 -2.053 1.00 0.00 N ATOM 488 NH2 ARG A 30 9.912 -16.632 -1.678 1.00 0.00 N ATOM 0 H ARG A 30 11.635 -10.466 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 30 11.181 -13.233 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.782 -10.600 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.311 -12.059 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.473 -12.082 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.094 -11.343 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.592 -13.670 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.624 -13.448 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 30 10.143 -14.417 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.995 -15.291 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.543 -16.880 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.840 -16.439 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.722 -17.526 -2.130 1.00 0.00 H new ATOM 502 N GLY A 31 12.453 -10.906 -3.339 1.00 0.00 N ATOM 503 CA GLY A 31 13.139 -10.628 -4.538 1.00 0.00 C ATOM 504 C GLY A 31 13.171 -9.155 -4.811 1.00 0.00 C ATOM 505 O GLY A 31 13.289 -8.344 -3.886 1.00 0.00 O ATOM 0 H GLY A 31 12.469 -10.144 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.157 -11.012 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.654 -11.144 -5.366 1.00 0.00 H new ATOM 509 N LEU A 32 12.983 -8.835 -6.043 1.00 0.00 N ATOM 510 CA LEU A 32 13.032 -7.496 -6.609 1.00 0.00 C ATOM 511 C LEU A 32 11.866 -7.410 -7.544 1.00 0.00 C ATOM 512 O LEU A 32 11.450 -8.443 -8.080 1.00 0.00 O ATOM 513 CB LEU A 32 14.312 -7.257 -7.482 1.00 0.00 C ATOM 514 CG LEU A 32 15.707 -7.182 -6.822 1.00 0.00 C ATOM 515 CD1 LEU A 32 15.742 -6.160 -5.725 1.00 0.00 C ATOM 516 CD2 LEU A 32 16.212 -8.534 -6.347 1.00 0.00 C ATOM 0 H LEU A 32 12.774 -9.541 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 32 13.028 -6.768 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.349 -8.055 -8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.162 -6.324 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 32 16.398 -6.858 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.738 -6.134 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.501 -5.179 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.012 -6.423 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.196 -8.416 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.519 -8.943 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.284 -9.214 -7.196 1.00 0.00 H new ATOM 528 N GLY A 33 11.325 -6.247 -7.741 1.00 0.00 N ATOM 529 CA GLY A 33 10.265 -6.137 -8.684 1.00 0.00 C ATOM 530 C GLY A 33 9.588 -4.808 -8.669 1.00 0.00 C ATOM 531 O GLY A 33 9.903 -3.966 -7.871 1.00 0.00 O ATOM 0 H GLY A 33 11.594 -5.382 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.658 -6.324 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.527 -6.913 -8.481 1.00 0.00 H new ATOM 535 N ASN A 34 8.640 -4.663 -9.531 1.00 0.00 N ATOM 536 CA ASN A 34 7.886 -3.473 -9.722 1.00 0.00 C ATOM 537 C ASN A 34 6.744 -3.479 -8.832 1.00 0.00 C ATOM 538 O ASN A 34 5.863 -4.357 -8.875 1.00 0.00 O ATOM 539 CB ASN A 34 7.412 -3.375 -11.124 1.00 0.00 C ATOM 540 CG ASN A 34 6.681 -2.098 -11.411 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.284 -1.101 -11.794 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.381 -2.128 -11.279 1.00 0.00 N ATOM 0 H ASN A 34 8.355 -5.416 -10.157 1.00 0.00 H new ATOM 0 HA ASN A 34 8.525 -2.617 -9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.266 -3.456 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.756 -4.218 -11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.827 -1.300 -11.498 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.921 -2.979 -10.957 1.00 0.00 H new ATOM 549 N LEU A 35 6.787 -2.553 -8.010 1.00 0.00 N ATOM 550 CA LEU A 35 5.784 -2.292 -7.127 1.00 0.00 C ATOM 551 C LEU A 35 4.836 -1.318 -7.711 1.00 0.00 C ATOM 552 O LEU A 35 5.216 -0.209 -8.070 1.00 0.00 O ATOM 553 CB LEU A 35 6.318 -1.833 -5.773 1.00 0.00 C ATOM 554 CG LEU A 35 5.334 -1.140 -4.816 1.00 0.00 C ATOM 555 CD1 LEU A 35 4.159 -2.024 -4.497 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.041 -0.719 -3.542 1.00 0.00 C ATOM 0 H LEU A 35 7.578 -1.914 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 35 5.245 -3.220 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.727 -2.704 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.148 -1.150 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 35 4.954 -0.251 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.485 -1.502 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.629 -2.271 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.511 -2.941 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.330 -0.230 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.455 -1.598 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.846 -0.026 -3.785 1.00 0.00 H new ATOM 568 N LYS A 36 3.631 -1.725 -7.826 1.00 0.00 N ATOM 569 CA LYS A 36 2.647 -0.874 -8.269 1.00 0.00 C ATOM 570 C LYS A 36 1.504 -0.839 -7.294 1.00 0.00 C ATOM 571 O LYS A 36 1.191 -1.837 -6.631 1.00 0.00 O ATOM 572 CB LYS A 36 2.206 -1.189 -9.701 1.00 0.00 C ATOM 573 CG LYS A 36 1.642 -2.581 -9.948 1.00 0.00 C ATOM 574 CD LYS A 36 1.253 -2.744 -11.418 1.00 0.00 C ATOM 575 CE LYS A 36 0.810 -4.166 -11.740 1.00 0.00 C ATOM 576 NZ LYS A 36 0.452 -4.342 -13.166 1.00 0.00 N ATOM 0 H LYS A 36 3.317 -2.671 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 36 3.064 0.132 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.452 -0.459 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.062 -1.046 -10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.381 -3.334 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.771 -2.745 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.447 -2.051 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.101 -2.478 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.611 -4.859 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.048 -4.425 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.158 -5.326 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.330 -3.701 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.277 -4.123 -13.761 1.00 0.00 H new ATOM 590 N ILE A 37 0.889 0.282 -7.214 1.00 0.00 N ATOM 591 CA ILE A 37 -0.227 0.464 -6.370 1.00 0.00 C ATOM 592 C ILE A 37 -1.409 0.591 -7.213 1.00 0.00 C ATOM 593 O ILE A 37 -1.430 1.365 -8.197 1.00 0.00 O ATOM 594 CB ILE A 37 -0.089 1.752 -5.533 1.00 0.00 C ATOM 595 CG1 ILE A 37 0.933 1.538 -4.419 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.464 2.236 -4.975 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.414 0.738 -3.224 1.00 0.00 C ATOM 0 H ILE A 37 1.153 1.113 -7.744 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.301 -0.386 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 37 0.271 2.548 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.801 1.025 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.276 2.511 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.320 3.146 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.142 2.440 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.892 1.461 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.207 0.635 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.434 1.258 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.099 -0.251 -3.557 1.00 0.00 H new ATOM 609 N LEU A 38 -2.363 -0.179 -6.879 1.00 0.00 N ATOM 610 CA LEU A 38 -3.590 -0.118 -7.556 1.00 0.00 C ATOM 611 C LEU A 38 -4.637 0.467 -6.608 1.00 0.00 C ATOM 612 O LEU A 38 -4.740 0.071 -5.464 1.00 0.00 O ATOM 613 CB LEU A 38 -3.981 -1.523 -7.993 1.00 0.00 C ATOM 614 CG LEU A 38 -2.947 -2.301 -8.829 1.00 0.00 C ATOM 615 CD1 LEU A 38 -3.437 -3.703 -9.137 1.00 0.00 C ATOM 616 CD2 LEU A 38 -2.629 -1.574 -10.110 1.00 0.00 C ATOM 0 H LEU A 38 -2.317 -0.869 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.517 0.515 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.205 -2.107 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.903 -1.456 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.036 -2.374 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.687 -4.229 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.608 -4.242 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.369 -3.647 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.897 -2.145 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.539 -1.460 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.221 -0.590 -9.878 1.00 0.00 H new ATOM 628 N LYS A 39 -5.383 1.398 -7.098 1.00 0.00 N ATOM 629 CA LYS A 39 -6.452 2.059 -6.336 1.00 0.00 C ATOM 630 C LYS A 39 -7.782 1.752 -6.968 1.00 0.00 C ATOM 631 O LYS A 39 -7.969 2.040 -8.160 1.00 0.00 O ATOM 632 CB LYS A 39 -6.267 3.573 -6.435 1.00 0.00 C ATOM 633 CG LYS A 39 -7.317 4.427 -5.721 1.00 0.00 C ATOM 634 CD LYS A 39 -7.374 5.830 -6.312 1.00 0.00 C ATOM 635 CE LYS A 39 -8.127 5.838 -7.644 1.00 0.00 C ATOM 636 NZ LYS A 39 -9.567 5.480 -7.483 1.00 0.00 N ATOM 0 H LYS A 39 -5.286 1.745 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.415 1.712 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.287 3.826 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.259 3.850 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.295 3.953 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.082 4.486 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.865 6.504 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.362 6.206 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.049 6.826 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.655 5.135 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.039 5.515 -8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.644 4.520 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.022 6.155 -6.836 1.00 0.00 H new ATOM 650 N ASN A 40 -8.699 1.176 -6.202 1.00 0.00 N ATOM 651 CA ASN A 40 -10.049 0.928 -6.698 1.00 0.00 C ATOM 652 C ASN A 40 -10.802 2.211 -6.995 1.00 0.00 C ATOM 653 O ASN A 40 -10.655 3.212 -6.287 1.00 0.00 O ATOM 654 CB ASN A 40 -10.867 0.101 -5.710 1.00 0.00 C ATOM 655 CG ASN A 40 -10.660 -1.375 -5.865 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.793 -1.974 -5.228 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.449 -1.962 -6.707 1.00 0.00 N ATOM 0 H ASN A 40 -8.536 0.873 -5.242 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.923 0.372 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.603 0.394 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.925 0.329 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.368 -2.966 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.152 -1.420 -7.210 1.00 0.00 H new ATOM 664 N GLU A 41 -11.603 2.167 -8.038 1.00 0.00 N ATOM 665 CA GLU A 41 -12.454 3.178 -8.484 1.00 0.00 C ATOM 666 C GLU A 41 -13.762 3.111 -7.695 1.00 0.00 C ATOM 667 O GLU A 41 -14.597 4.019 -7.740 1.00 0.00 O ATOM 668 CB GLU A 41 -12.697 2.860 -9.923 1.00 0.00 C ATOM 669 CG GLU A 41 -11.484 3.008 -10.815 1.00 0.00 C ATOM 670 CD GLU A 41 -11.034 4.433 -10.940 1.00 0.00 C ATOM 671 OE1 GLU A 41 -10.472 4.987 -9.962 1.00 0.00 O ATOM 672 OE2 GLU A 41 -11.226 5.050 -12.019 1.00 0.00 O ATOM 0 H GLU A 41 -11.658 1.336 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.039 4.177 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.064 1.836 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.488 3.510 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.668 2.406 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.715 2.615 -11.805 1.00 0.00 H new ATOM 679 N VAL A 42 -13.918 2.000 -6.977 1.00 0.00 N ATOM 680 CA VAL A 42 -14.966 1.736 -6.051 1.00 0.00 C ATOM 681 C VAL A 42 -14.683 2.574 -4.814 1.00 0.00 C ATOM 682 O VAL A 42 -15.557 2.821 -3.974 1.00 0.00 O ATOM 683 CB VAL A 42 -14.884 0.213 -5.737 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.323 -0.127 -4.358 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.661 -0.607 -6.751 1.00 0.00 C ATOM 0 H VAL A 42 -13.261 1.223 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.961 1.982 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.827 -0.044 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.241 -1.203 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.691 0.391 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.359 0.181 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.582 -1.665 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.709 -0.308 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.251 -0.438 -7.747 1.00 0.00 H new ATOM 695 N ASN A 43 -13.424 3.021 -4.753 1.00 0.00 N ATOM 696 CA ASN A 43 -12.894 3.844 -3.694 1.00 0.00 C ATOM 697 C ASN A 43 -12.896 3.021 -2.425 1.00 0.00 C ATOM 698 O ASN A 43 -13.002 3.508 -1.310 1.00 0.00 O ATOM 699 CB ASN A 43 -13.729 5.132 -3.646 1.00 0.00 C ATOM 700 CG ASN A 43 -13.381 6.117 -2.556 1.00 0.00 C ATOM 701 OD1 ASN A 43 -14.003 6.156 -1.495 1.00 0.00 O ATOM 702 ND2 ASN A 43 -12.388 6.892 -2.797 1.00 0.00 N ATOM 0 H ASN A 43 -12.733 2.804 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.861 4.157 -3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.633 5.638 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.777 4.856 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.089 7.571 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.897 6.830 -3.689 1.00 0.00 H new ATOM 709 N GLY A 44 -12.690 1.729 -2.634 1.00 0.00 N ATOM 710 CA GLY A 44 -12.726 0.804 -1.542 1.00 0.00 C ATOM 711 C GLY A 44 -11.409 0.754 -0.845 1.00 0.00 C ATOM 712 O GLY A 44 -11.177 1.464 0.135 1.00 0.00 O ATOM 0 H GLY A 44 -12.499 1.313 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.504 1.097 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.986 -0.189 -1.909 1.00 0.00 H new ATOM 716 N LYS A 45 -10.532 -0.051 -1.357 1.00 0.00 N ATOM 717 CA LYS A 45 -9.239 -0.194 -0.795 1.00 0.00 C ATOM 718 C LYS A 45 -8.246 -0.060 -1.897 1.00 0.00 C ATOM 719 O LYS A 45 -8.618 0.017 -3.085 1.00 0.00 O ATOM 720 CB LYS A 45 -9.039 -1.546 -0.064 1.00 0.00 C ATOM 721 CG LYS A 45 -9.767 -1.735 1.283 1.00 0.00 C ATOM 722 CD LYS A 45 -11.273 -1.888 1.138 1.00 0.00 C ATOM 723 CE LYS A 45 -11.962 -2.059 2.486 1.00 0.00 C ATOM 724 NZ LYS A 45 -11.483 -3.252 3.225 1.00 0.00 N ATOM 0 H LYS A 45 -10.700 -0.628 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.106 0.580 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.359 -2.343 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.971 -1.682 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.366 -2.616 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.556 -0.880 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.679 -1.012 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.491 -2.750 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.792 -1.169 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.038 -2.140 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.105 -3.429 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.495 -4.079 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.513 -3.086 3.560 1.00 0.00 H new ATOM 738 N LEU A 46 -7.018 -0.013 -1.542 1.00 0.00 N ATOM 739 CA LEU A 46 -5.992 0.113 -2.440 1.00 0.00 C ATOM 740 C LEU A 46 -5.175 -1.133 -2.305 1.00 0.00 C ATOM 741 O LEU A 46 -5.173 -1.756 -1.251 1.00 0.00 O ATOM 742 CB LEU A 46 -5.093 1.269 -2.057 1.00 0.00 C ATOM 743 CG LEU A 46 -5.702 2.623 -1.559 1.00 0.00 C ATOM 744 CD1 LEU A 46 -6.782 3.142 -2.476 1.00 0.00 C ATOM 745 CD2 LEU A 46 -6.175 2.571 -0.104 1.00 0.00 C ATOM 0 H LEU A 46 -6.712 -0.065 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.385 0.275 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.425 0.910 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.474 1.495 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.881 3.339 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.170 4.082 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.367 3.306 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.590 2.413 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.586 3.540 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.944 1.805 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.332 2.331 0.544 1.00 0.00 H new ATOM 757 N ARG A 47 -4.495 -1.486 -3.315 1.00 0.00 N ATOM 758 CA ARG A 47 -3.622 -2.637 -3.267 1.00 0.00 C ATOM 759 C ARG A 47 -2.250 -2.161 -3.565 1.00 0.00 C ATOM 760 O ARG A 47 -2.047 -1.181 -4.271 1.00 0.00 O ATOM 761 CB ARG A 47 -3.837 -3.673 -4.359 1.00 0.00 C ATOM 762 CG ARG A 47 -5.100 -3.604 -5.210 1.00 0.00 C ATOM 763 CD ARG A 47 -6.330 -4.109 -4.491 1.00 0.00 C ATOM 764 NE ARG A 47 -7.397 -4.387 -5.454 1.00 0.00 N ATOM 765 CZ ARG A 47 -8.330 -5.338 -5.330 1.00 0.00 C ATOM 766 NH1 ARG A 47 -8.423 -6.048 -4.231 1.00 0.00 N ATOM 767 NH2 ARG A 47 -9.136 -5.593 -6.324 1.00 0.00 N ATOM 0 H ARG A 47 -4.509 -1.002 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.807 -3.084 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.983 -3.620 -5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.811 -4.656 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.266 -2.572 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.951 -4.189 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.089 -5.014 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.667 -3.368 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.432 -3.806 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.779 -5.878 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.139 -6.770 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.054 -5.068 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.848 -6.318 -6.231 1.00 0.00 H new ATOM 781 N MET A 48 -1.370 -2.877 -3.079 1.00 0.00 N ATOM 782 CA MET A 48 -0.021 -2.771 -3.281 1.00 0.00 C ATOM 783 C MET A 48 0.411 -4.133 -3.767 1.00 0.00 C ATOM 784 O MET A 48 0.265 -5.129 -3.049 1.00 0.00 O ATOM 785 CB MET A 48 0.594 -2.535 -1.904 1.00 0.00 C ATOM 786 CG MET A 48 2.065 -2.286 -1.920 1.00 0.00 C ATOM 787 SD MET A 48 2.812 -2.203 -0.293 1.00 0.00 S ATOM 788 CE MET A 48 2.280 -0.579 0.236 1.00 0.00 C ATOM 0 H MET A 48 -1.601 -3.648 -2.452 1.00 0.00 H new ATOM 0 HA MET A 48 0.263 -1.982 -3.977 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.099 -1.682 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.391 -3.402 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.550 -3.078 -2.491 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.258 -1.350 -2.445 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.123 0.111 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.487 -0.223 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.905 -0.634 1.258 1.00 0.00 H new ATOM 798 N LEU A 49 0.906 -4.194 -4.940 1.00 0.00 N ATOM 799 CA LEU A 49 1.489 -5.437 -5.409 1.00 0.00 C ATOM 800 C LEU A 49 2.801 -5.230 -6.029 1.00 0.00 C ATOM 801 O LEU A 49 3.085 -4.185 -6.619 1.00 0.00 O ATOM 802 CB LEU A 49 0.613 -6.247 -6.350 1.00 0.00 C ATOM 803 CG LEU A 49 0.293 -5.708 -7.773 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.414 -6.004 -8.766 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.017 -6.278 -8.277 1.00 0.00 C ATOM 0 H LEU A 49 0.931 -3.421 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 49 1.595 -6.026 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.084 -7.223 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.339 -6.413 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 49 0.204 -4.625 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.146 -5.609 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.336 -5.533 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.562 -7.082 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.223 -5.889 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.949 -7.365 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.823 -5.991 -7.601 1.00 0.00 H new ATOM 817 N MET A 50 3.579 -6.222 -5.940 1.00 0.00 N ATOM 818 CA MET A 50 4.792 -6.258 -6.451 1.00 0.00 C ATOM 819 C MET A 50 4.937 -7.539 -7.150 1.00 0.00 C ATOM 820 O MET A 50 4.657 -8.636 -6.635 1.00 0.00 O ATOM 821 CB MET A 50 5.829 -6.108 -5.408 1.00 0.00 C ATOM 822 CG MET A 50 5.492 -6.813 -4.105 1.00 0.00 C ATOM 823 SD MET A 50 4.528 -5.825 -2.929 1.00 0.00 S ATOM 824 CE MET A 50 5.722 -4.562 -2.480 1.00 0.00 C ATOM 0 H MET A 50 3.320 -7.083 -5.458 1.00 0.00 H new ATOM 0 HA MET A 50 4.927 -5.425 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.773 -6.498 -5.788 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.980 -5.047 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.937 -7.722 -4.334 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.421 -7.119 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.230 -3.790 -1.889 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.524 -5.011 -1.895 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.138 -4.117 -3.384 1.00 0.00 H new ATOM 834 N ARG A 51 5.274 -7.358 -8.270 1.00 0.00 N ATOM 835 CA ARG A 51 5.584 -8.347 -9.252 1.00 0.00 C ATOM 836 C ARG A 51 7.017 -8.281 -9.458 1.00 0.00 C ATOM 837 O ARG A 51 7.616 -7.236 -9.377 1.00 0.00 O ATOM 838 CB ARG A 51 4.882 -7.992 -10.537 1.00 0.00 C ATOM 839 CG ARG A 51 5.097 -8.825 -11.807 1.00 0.00 C ATOM 840 CD ARG A 51 4.322 -8.162 -12.916 1.00 0.00 C ATOM 841 NE ARG A 51 4.299 -8.892 -14.175 1.00 0.00 N ATOM 842 CZ ARG A 51 4.493 -8.300 -15.352 1.00 0.00 C ATOM 843 NH1 ARG A 51 5.157 -7.155 -15.422 1.00 0.00 N ATOM 844 NH2 ARG A 51 4.110 -8.897 -16.455 1.00 0.00 N ATOM 0 H ARG A 51 5.375 -6.414 -8.642 1.00 0.00 H new ATOM 0 HA ARG A 51 5.271 -9.343 -8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.812 -7.996 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.156 -6.965 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.157 -8.877 -12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.754 -9.849 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.295 -8.012 -12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.746 -7.174 -13.094 1.00 0.00 H new ATOM 0 HE ARG A 51 4.127 -9.897 -14.155 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.522 -6.724 -14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.303 -6.705 -16.325 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.664 -9.813 -16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.258 -8.445 -17.357 1.00 0.00 H new ATOM 858 N ARG A 52 7.538 -9.357 -9.729 1.00 0.00 N ATOM 859 CA ARG A 52 8.861 -9.469 -10.013 1.00 0.00 C ATOM 860 C ARG A 52 8.859 -9.409 -11.478 1.00 0.00 C ATOM 861 O ARG A 52 8.156 -10.141 -12.119 1.00 0.00 O ATOM 862 CB ARG A 52 9.383 -10.751 -9.396 1.00 0.00 C ATOM 863 CG ARG A 52 9.327 -10.740 -7.872 1.00 0.00 C ATOM 864 CD ARG A 52 9.769 -12.060 -7.266 1.00 0.00 C ATOM 865 NE ARG A 52 11.155 -12.423 -7.588 1.00 0.00 N ATOM 866 CZ ARG A 52 11.711 -13.605 -7.269 1.00 0.00 C ATOM 867 NH1 ARG A 52 10.980 -14.545 -6.662 1.00 0.00 N ATOM 868 NH2 ARG A 52 12.978 -13.851 -7.562 1.00 0.00 N ATOM 0 H ARG A 52 7.028 -10.240 -9.762 1.00 0.00 H new ATOM 0 HA ARG A 52 9.527 -8.707 -9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.800 -11.592 -9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.413 -10.910 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.962 -9.939 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.309 -10.519 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.659 -12.007 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.105 -12.851 -7.616 1.00 0.00 H new ATOM 0 HE ARG A 52 11.729 -11.739 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.001 -14.366 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.402 -15.442 -6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.540 -13.142 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.393 -14.750 -7.317 1.00 0.00 H new ATOM 882 N GLU A 53 9.573 -8.488 -11.972 1.00 0.00 N ATOM 883 CA GLU A 53 9.538 -8.108 -13.381 1.00 0.00 C ATOM 884 C GLU A 53 10.140 -9.063 -14.272 1.00 0.00 C ATOM 885 O GLU A 53 9.520 -9.436 -15.291 1.00 0.00 O ATOM 886 CB GLU A 53 10.002 -6.682 -13.609 1.00 0.00 C ATOM 887 CG GLU A 53 8.997 -5.625 -13.194 1.00 0.00 C ATOM 888 CD GLU A 53 7.729 -5.675 -14.024 1.00 0.00 C ATOM 889 OE1 GLU A 53 7.794 -5.387 -15.242 1.00 0.00 O ATOM 890 OE2 GLU A 53 6.650 -5.990 -13.487 1.00 0.00 O ATOM 0 H GLU A 53 10.231 -7.939 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 53 8.484 -8.130 -13.656 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.929 -6.521 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.233 -6.552 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.745 -5.760 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.451 -4.639 -13.289 1.00 0.00 H new ATOM 897 N GLN A 54 11.255 -9.546 -13.932 1.00 0.00 N ATOM 898 CA GLN A 54 11.837 -10.475 -14.800 1.00 0.00 C ATOM 899 C GLN A 54 11.206 -11.832 -14.551 1.00 0.00 C ATOM 900 O GLN A 54 11.121 -12.685 -15.427 1.00 0.00 O ATOM 901 CB GLN A 54 13.355 -10.449 -14.721 1.00 0.00 C ATOM 902 CG GLN A 54 14.084 -11.398 -15.669 1.00 0.00 C ATOM 903 CD GLN A 54 14.567 -12.671 -14.991 1.00 0.00 C ATOM 904 OE1 GLN A 54 13.981 -13.152 -14.022 1.00 0.00 O ATOM 905 NE2 GLN A 54 15.641 -13.212 -15.486 1.00 0.00 N ATOM 0 H GLN A 54 11.776 -9.325 -13.083 1.00 0.00 H new ATOM 0 HA GLN A 54 11.631 -10.211 -15.837 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.694 -9.433 -14.923 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.651 -10.687 -13.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.418 -11.662 -16.491 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.938 -10.880 -16.105 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.102 -12.787 -16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.022 -14.062 -15.070 1.00 0.00 H new ATOM 914 N VAL A 55 10.677 -11.947 -13.383 1.00 0.00 N ATOM 915 CA VAL A 55 10.006 -13.107 -12.922 1.00 0.00 C ATOM 916 C VAL A 55 8.499 -13.103 -13.372 1.00 0.00 C ATOM 917 O VAL A 55 7.783 -14.098 -13.210 1.00 0.00 O ATOM 918 CB VAL A 55 10.148 -13.032 -11.380 1.00 0.00 C ATOM 919 CG1 VAL A 55 9.213 -13.959 -10.645 1.00 0.00 C ATOM 920 CG2 VAL A 55 11.591 -13.320 -10.980 1.00 0.00 C ATOM 0 H VAL A 55 10.703 -11.197 -12.692 1.00 0.00 H new ATOM 0 HA VAL A 55 10.423 -14.029 -13.328 1.00 0.00 H new ATOM 0 HB VAL A 55 9.869 -12.019 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.367 -13.854 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.182 -13.705 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.414 -14.988 -10.942 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.686 -13.266 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.871 -14.317 -11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.250 -12.583 -11.439 1.00 0.00 H new ATOM 930 N LEU A 56 8.087 -11.985 -14.023 1.00 0.00 N ATOM 931 CA LEU A 56 6.795 -11.686 -14.602 1.00 0.00 C ATOM 932 C LEU A 56 5.592 -11.905 -13.630 1.00 0.00 C ATOM 933 O LEU A 56 4.415 -11.733 -13.986 1.00 0.00 O ATOM 934 CB LEU A 56 6.727 -12.695 -15.669 1.00 0.00 C ATOM 935 CG LEU A 56 5.456 -12.805 -16.391 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.269 -11.679 -17.397 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.207 -14.175 -16.979 1.00 0.00 C ATOM 0 H LEU A 56 8.732 -11.206 -14.157 1.00 0.00 H new ATOM 0 HA LEU A 56 6.718 -10.641 -14.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.512 -12.478 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.956 -13.667 -15.233 1.00 0.00 H new ATOM 0 HG LEU A 56 4.676 -12.682 -15.640 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.314 -11.802 -17.908 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.282 -10.721 -16.877 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.077 -11.706 -18.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.248 -14.180 -17.498 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.002 -14.418 -17.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.191 -14.916 -16.180 1.00 0.00 H new ATOM 949 N LYS A 57 5.882 -12.123 -12.433 1.00 0.00 N ATOM 950 CA LYS A 57 4.866 -12.484 -11.515 1.00 0.00 C ATOM 951 C LYS A 57 4.720 -11.675 -10.217 1.00 0.00 C ATOM 952 O LYS A 57 5.611 -11.711 -9.358 1.00 0.00 O ATOM 953 CB LYS A 57 5.006 -13.943 -11.281 1.00 0.00 C ATOM 954 CG LYS A 57 3.896 -14.592 -10.454 1.00 0.00 C ATOM 955 CD LYS A 57 2.535 -14.424 -11.110 1.00 0.00 C ATOM 956 CE LYS A 57 1.422 -15.043 -10.285 1.00 0.00 C ATOM 957 NZ LYS A 57 1.546 -16.514 -10.164 1.00 0.00 N ATOM 0 H LYS A 57 6.821 -12.062 -12.040 1.00 0.00 H new ATOM 0 HA LYS A 57 3.918 -12.218 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.054 -14.444 -12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.958 -14.122 -10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.110 -15.653 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.877 -14.149 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.331 -13.363 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.551 -14.883 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.425 -14.600 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.461 -14.800 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.701 -16.896 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.635 -16.934 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.389 -16.746 -9.602 1.00 0.00 H new ATOM 971 N VAL A 58 3.685 -10.832 -10.161 1.00 0.00 N ATOM 972 CA VAL A 58 3.067 -10.402 -8.897 1.00 0.00 C ATOM 973 C VAL A 58 3.097 -11.526 -7.868 1.00 0.00 C ATOM 974 O VAL A 58 2.570 -12.620 -8.087 1.00 0.00 O ATOM 975 CB VAL A 58 1.590 -9.913 -9.127 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.755 -10.935 -9.898 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.926 -9.587 -7.798 1.00 0.00 C ATOM 0 H VAL A 58 3.249 -10.426 -10.989 1.00 0.00 H new ATOM 0 HA VAL A 58 3.649 -9.564 -8.512 1.00 0.00 H new ATOM 0 HB VAL A 58 1.642 -9.010 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.257 -10.552 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.208 -11.113 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.718 -11.870 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.095 -9.250 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.911 -10.478 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.486 -8.799 -7.295 1.00 0.00 H new ATOM 987 N CYS A 59 3.765 -11.274 -6.788 1.00 0.00 N ATOM 988 CA CYS A 59 3.895 -12.252 -5.753 1.00 0.00 C ATOM 989 C CYS A 59 2.997 -11.925 -4.581 1.00 0.00 C ATOM 990 O CYS A 59 2.551 -12.826 -3.872 1.00 0.00 O ATOM 991 CB CYS A 59 5.344 -12.340 -5.288 1.00 0.00 C ATOM 992 SG CYS A 59 6.515 -12.714 -6.610 1.00 0.00 S ATOM 0 H CYS A 59 4.234 -10.389 -6.598 1.00 0.00 H new ATOM 0 HA CYS A 59 3.591 -13.216 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.625 -11.394 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.422 -13.108 -4.518 1.00 0.00 H new ATOM 0 HG CYS A 59 6.109 -12.167 -7.717 1.00 0.00 H new ATOM 998 N ALA A 60 2.709 -10.646 -4.372 1.00 0.00 N ATOM 999 CA ALA A 60 1.970 -10.260 -3.275 1.00 0.00 C ATOM 1000 C ALA A 60 1.126 -9.158 -3.679 1.00 0.00 C ATOM 1001 O ALA A 60 1.609 -8.205 -4.260 1.00 0.00 O ATOM 1002 CB ALA A 60 2.856 -9.801 -2.161 1.00 0.00 C ATOM 0 H ALA A 60 3.001 -9.882 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 60 1.384 -11.108 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.245 -9.503 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.519 -10.614 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.451 -8.951 -2.496 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.080 -9.304 -3.433 1.00 0.00 N ATOM 1009 CA ASN A 61 -1.031 -8.265 -3.588 1.00 0.00 C ATOM 1010 C ASN A 61 -1.620 -8.024 -2.279 1.00 0.00 C ATOM 1011 O ASN A 61 -2.520 -8.740 -1.827 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.117 -8.608 -4.509 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.155 -7.481 -4.709 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.067 -6.710 -5.658 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.108 -7.341 -3.787 1.00 0.00 N ATOM 0 H ASN A 61 -0.481 -10.181 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.517 -7.397 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.689 -8.869 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.628 -9.496 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.783 -6.580 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.162 -7.995 -3.006 1.00 0.00 H new ATOM 1022 N HIS A 62 -1.106 -7.103 -1.666 1.00 0.00 N ATOM 1023 CA HIS A 62 -1.580 -6.699 -0.392 1.00 0.00 C ATOM 1024 C HIS A 62 -2.424 -5.477 -0.555 1.00 0.00 C ATOM 1025 O HIS A 62 -2.196 -4.694 -1.428 1.00 0.00 O ATOM 1026 CB HIS A 62 -0.419 -6.366 0.542 1.00 0.00 C ATOM 1027 CG HIS A 62 0.463 -7.515 0.893 1.00 0.00 C ATOM 1028 ND1 HIS A 62 0.271 -8.307 1.998 1.00 0.00 N ATOM 1029 CD2 HIS A 62 1.563 -7.982 0.299 1.00 0.00 C ATOM 1030 CE1 HIS A 62 1.215 -9.205 2.068 1.00 0.00 C ATOM 1031 NE2 HIS A 62 2.016 -9.042 1.052 1.00 0.00 N ATOM 0 H HIS A 62 -0.313 -6.562 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.157 -7.517 0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.190 -5.590 0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.823 -5.945 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.014 -7.599 -0.605 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.316 -9.956 2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.841 -9.606 0.849 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.408 -5.354 0.230 1.00 0.00 N ATOM 1040 CA TRP A 63 -4.129 -4.129 0.334 1.00 0.00 C ATOM 1041 C TRP A 63 -3.389 -3.243 1.294 1.00 0.00 C ATOM 1042 O TRP A 63 -2.973 -3.671 2.366 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.533 -4.333 0.883 1.00 0.00 C ATOM 1044 CG TRP A 63 -6.509 -5.041 -0.018 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -7.420 -4.445 -0.826 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.689 -6.457 -0.191 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -8.174 -5.377 -1.470 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -7.739 -6.629 -1.108 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -6.074 -7.588 0.338 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -8.184 -7.889 -1.507 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.513 -8.836 -0.059 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.558 -8.978 -0.973 1.00 0.00 C ATOM 0 H TRP A 63 -3.753 -6.100 0.833 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.211 -3.695 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.457 -4.896 1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.947 -3.356 1.134 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.532 -3.377 -0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -8.938 -5.178 -2.116 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.266 -7.491 1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -8.994 -7.999 -2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.039 -9.718 0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.877 -9.968 -1.263 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.226 -2.036 0.904 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.535 -1.077 1.645 1.00 0.00 C ATOM 1065 C ILE A 64 -3.603 -0.163 2.209 1.00 0.00 C ATOM 1066 O ILE A 64 -4.349 0.463 1.467 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.424 -0.354 0.738 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -0.813 0.906 1.404 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -1.969 -0.018 -0.636 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -1.690 2.130 1.292 1.00 0.00 C ATOM 0 H ILE A 64 -3.590 -1.683 0.019 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.956 -1.494 2.469 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.613 -1.074 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.627 0.697 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.153 1.117 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.193 0.470 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.283 -0.934 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.823 0.651 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.201 2.974 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.855 2.364 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.648 1.937 1.776 1.00 0.00 H new ATOM 1082 N THR A 65 -3.749 -0.195 3.492 1.00 0.00 N ATOM 1083 CA THR A 65 -4.779 0.548 4.152 1.00 0.00 C ATOM 1084 C THR A 65 -4.285 1.108 5.453 1.00 0.00 C ATOM 1085 O THR A 65 -3.267 0.670 5.980 1.00 0.00 O ATOM 1086 CB THR A 65 -6.048 -0.351 4.352 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.050 0.269 5.174 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.697 -1.738 4.889 1.00 0.00 C ATOM 0 H THR A 65 -3.156 -0.739 4.118 1.00 0.00 H new ATOM 0 HA THR A 65 -5.061 1.394 3.524 1.00 0.00 H new ATOM 0 HB THR A 65 -6.475 -0.473 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.818 -0.333 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.609 -2.323 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.033 -2.243 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.198 -1.639 5.853 1.00 0.00 H new ATOM 1096 N THR A 66 -5.002 2.073 5.956 1.00 0.00 N ATOM 1097 CA THR A 66 -4.717 2.702 7.229 1.00 0.00 C ATOM 1098 C THR A 66 -5.146 1.784 8.390 1.00 0.00 C ATOM 1099 O THR A 66 -4.903 2.056 9.560 1.00 0.00 O ATOM 1100 CB THR A 66 -5.439 4.028 7.326 1.00 0.00 C ATOM 1101 OG1 THR A 66 -5.759 4.470 6.004 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.522 5.031 7.952 1.00 0.00 C ATOM 0 H THR A 66 -5.822 2.458 5.487 1.00 0.00 H new ATOM 0 HA THR A 66 -3.643 2.875 7.298 1.00 0.00 H new ATOM 0 HB THR A 66 -6.345 3.920 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.229 5.329 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.031 5.992 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.237 4.692 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.629 5.141 7.337 1.00 0.00 H new ATOM 1110 N THR A 67 -5.755 0.672 8.013 1.00 0.00 N ATOM 1111 CA THR A 67 -6.206 -0.371 8.910 1.00 0.00 C ATOM 1112 C THR A 67 -4.988 -1.268 9.232 1.00 0.00 C ATOM 1113 O THR A 67 -4.999 -2.147 10.117 1.00 0.00 O ATOM 1114 CB THR A 67 -7.311 -1.171 8.155 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.454 -0.328 7.935 1.00 0.00 O ATOM 1116 CG2 THR A 67 -7.726 -2.447 8.867 1.00 0.00 C ATOM 0 H THR A 67 -5.955 0.466 7.034 1.00 0.00 H new ATOM 0 HA THR A 67 -6.613 0.017 9.844 1.00 0.00 H new ATOM 0 HB THR A 67 -6.882 -1.480 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.146 -0.833 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.497 -2.953 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.862 -3.103 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.117 -2.202 9.854 1.00 0.00 H new ATOM 1124 N MET A 68 -3.927 -0.940 8.573 1.00 0.00 N ATOM 1125 CA MET A 68 -2.725 -1.581 8.615 1.00 0.00 C ATOM 1126 C MET A 68 -1.744 -0.536 9.065 1.00 0.00 C ATOM 1127 O MET A 68 -2.016 0.660 8.994 1.00 0.00 O ATOM 1128 CB MET A 68 -2.398 -1.986 7.221 1.00 0.00 C ATOM 1129 CG MET A 68 -1.085 -2.701 7.045 1.00 0.00 C ATOM 1130 SD MET A 68 -0.496 -2.625 5.339 1.00 0.00 S ATOM 1131 CE MET A 68 -0.303 -0.854 5.097 1.00 0.00 C ATOM 0 H MET A 68 -3.915 -0.137 7.944 1.00 0.00 H new ATOM 0 HA MET A 68 -2.716 -2.454 9.268 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.195 -2.631 6.852 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.393 -1.095 6.594 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.340 -2.258 7.706 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.197 -3.743 7.344 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.656 -0.655 4.619 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.109 -0.483 4.463 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.339 -0.349 6.062 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.665 -0.968 9.489 1.00 0.00 N ATOM 1142 CA ASN A 69 0.370 -0.129 10.019 1.00 0.00 C ATOM 1143 C ASN A 69 1.746 -0.565 9.556 1.00 0.00 C ATOM 1144 O ASN A 69 2.043 -1.768 9.504 1.00 0.00 O ATOM 1145 CB ASN A 69 0.287 -0.205 11.515 1.00 0.00 C ATOM 1146 CG ASN A 69 1.416 0.512 12.240 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.426 -0.095 12.608 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.271 1.802 12.426 1.00 0.00 N ATOM 0 H ASN A 69 -0.427 -1.960 9.494 1.00 0.00 H new ATOM 0 HA ASN A 69 0.226 0.891 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.664 0.220 11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.286 -1.253 11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.007 2.337 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.423 2.271 12.109 1.00 0.00 H new ATOM 1155 N LEU A 70 2.553 0.416 9.198 1.00 0.00 N ATOM 1156 CA LEU A 70 3.861 0.266 8.848 1.00 0.00 C ATOM 1157 C LEU A 70 4.803 0.507 10.024 1.00 0.00 C ATOM 1158 O LEU A 70 4.621 1.403 10.853 1.00 0.00 O ATOM 1159 CB LEU A 70 4.176 1.013 7.562 1.00 0.00 C ATOM 1160 CG LEU A 70 3.803 2.474 7.392 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.456 3.297 8.435 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.297 2.866 6.043 1.00 0.00 C ATOM 0 H LEU A 70 2.243 1.387 9.157 1.00 0.00 H new ATOM 0 HA LEU A 70 4.047 -0.778 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.252 0.939 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.697 0.465 6.750 1.00 0.00 H new ATOM 0 HG LEU A 70 2.728 2.626 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.179 4.343 8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.132 2.960 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.538 3.195 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.058 3.913 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.377 2.726 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.818 2.246 5.286 1.00 0.00 H new ATOM 1174 N LYS A 71 5.707 -0.351 10.108 1.00 0.00 N ATOM 1175 CA LYS A 71 6.689 -0.459 11.186 1.00 0.00 C ATOM 1176 C LYS A 71 8.075 -0.719 10.594 1.00 0.00 C ATOM 1177 O LYS A 71 8.187 -1.472 9.653 1.00 0.00 O ATOM 1178 CB LYS A 71 6.268 -1.625 12.088 1.00 0.00 C ATOM 1179 CG LYS A 71 7.242 -1.980 13.208 1.00 0.00 C ATOM 1180 CD LYS A 71 6.680 -3.060 14.123 1.00 0.00 C ATOM 1181 CE LYS A 71 6.301 -4.325 13.368 1.00 0.00 C ATOM 1182 NZ LYS A 71 5.712 -5.334 14.265 1.00 0.00 N ATOM 0 H LYS A 71 5.830 -1.072 9.397 1.00 0.00 H new ATOM 0 HA LYS A 71 6.732 0.464 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.302 -1.385 12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.122 -2.508 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.183 -2.322 12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.465 -1.088 13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.418 -3.304 14.887 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.802 -2.673 14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.591 -4.080 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.185 -4.739 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.465 -6.183 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.400 -5.586 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.855 -4.946 14.708 1.00 0.00 H new ATOM 1196 N PRO A 72 9.144 -0.088 11.113 1.00 0.00 N ATOM 1197 CA PRO A 72 10.493 -0.282 10.583 1.00 0.00 C ATOM 1198 C PRO A 72 11.096 -1.624 11.000 1.00 0.00 C ATOM 1199 O PRO A 72 10.795 -2.156 12.085 1.00 0.00 O ATOM 1200 CB PRO A 72 11.287 0.873 11.195 1.00 0.00 C ATOM 1201 CG PRO A 72 10.591 1.167 12.479 1.00 0.00 C ATOM 1202 CD PRO A 72 9.133 0.860 12.251 1.00 0.00 C ATOM 0 HA PRO A 72 10.503 -0.293 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.327 0.594 11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.292 1.743 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.994 0.558 13.288 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.728 2.210 12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.675 0.418 13.135 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.567 1.761 12.015 1.00 0.00 H new ATOM 1210 N LEU A 73 11.914 -2.185 10.133 1.00 0.00 N ATOM 1211 CA LEU A 73 12.587 -3.387 10.389 1.00 0.00 C ATOM 1212 C LEU A 73 13.764 -3.065 11.274 1.00 0.00 C ATOM 1213 O LEU A 73 14.208 -1.901 11.312 1.00 0.00 O ATOM 1214 CB LEU A 73 13.168 -3.907 9.082 1.00 0.00 C ATOM 1215 CG LEU A 73 12.390 -3.675 7.788 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.129 -4.282 6.602 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.003 -4.237 7.880 1.00 0.00 C ATOM 0 H LEU A 73 12.116 -1.787 9.216 1.00 0.00 H new ATOM 0 HA LEU A 73 11.909 -4.112 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.155 -3.461 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.315 -4.982 9.191 1.00 0.00 H new ATOM 0 HG LEU A 73 12.309 -2.599 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.559 -4.106 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.112 -3.820 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.245 -5.355 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.474 -4.056 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.057 -5.310 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.468 -3.754 8.698 1.00 0.00 H new ATOM 1229 N SER A 74 14.278 -4.043 11.974 1.00 0.00 N ATOM 1230 CA SER A 74 15.506 -3.842 12.686 1.00 0.00 C ATOM 1231 C SER A 74 16.576 -3.564 11.719 1.00 0.00 C ATOM 1232 O SER A 74 16.693 -4.262 10.696 1.00 0.00 O ATOM 1233 CB SER A 74 15.937 -5.057 13.430 1.00 0.00 C ATOM 1234 OG SER A 74 15.086 -5.351 14.529 1.00 0.00 O ATOM 0 H SER A 74 13.870 -4.973 12.064 1.00 0.00 H new ATOM 0 HA SER A 74 15.334 -3.024 13.385 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.955 -5.909 12.750 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.956 -4.916 13.791 1.00 0.00 H new ATOM 0 HG SER A 74 15.407 -6.157 14.985 1.00 0.00 H new ATOM 1240 N GLY A 75 17.311 -2.551 11.964 1.00 0.00 N ATOM 1241 CA GLY A 75 18.394 -2.312 11.134 1.00 0.00 C ATOM 1242 C GLY A 75 18.044 -1.400 9.965 1.00 0.00 C ATOM 1243 O GLY A 75 18.923 -0.796 9.354 1.00 0.00 O ATOM 0 H GLY A 75 17.176 -1.887 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.199 -1.861 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.770 -3.261 10.751 1.00 0.00 H new ATOM 1247 N SER A 76 16.765 -1.302 9.647 1.00 0.00 N ATOM 1248 CA SER A 76 16.282 -0.463 8.660 1.00 0.00 C ATOM 1249 C SER A 76 15.786 0.827 9.266 1.00 0.00 C ATOM 1250 O SER A 76 15.338 0.886 10.423 1.00 0.00 O ATOM 1251 CB SER A 76 15.193 -1.211 7.979 1.00 0.00 C ATOM 1252 OG SER A 76 15.705 -2.426 7.456 1.00 0.00 O ATOM 0 H SER A 76 16.036 -1.843 10.111 1.00 0.00 H new ATOM 0 HA SER A 76 17.056 -0.185 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.385 -1.417 8.681 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.770 -0.607 7.176 1.00 0.00 H new ATOM 0 HG SER A 76 15.726 -2.378 6.477 1.00 0.00 H new ATOM 1258 N ASP A 77 15.912 1.840 8.500 1.00 0.00 N ATOM 1259 CA ASP A 77 15.561 3.138 8.832 1.00 0.00 C ATOM 1260 C ASP A 77 14.436 3.537 7.996 1.00 0.00 C ATOM 1261 O ASP A 77 13.462 4.138 8.463 1.00 0.00 O ATOM 1262 CB ASP A 77 16.739 4.123 8.591 1.00 0.00 C ATOM 1263 CG ASP A 77 17.454 4.004 7.246 1.00 0.00 C ATOM 1264 OD1 ASP A 77 17.873 2.882 6.860 1.00 0.00 O ATOM 1265 OD2 ASP A 77 17.649 5.035 6.577 1.00 0.00 O ATOM 0 H ASP A 77 16.293 1.763 7.557 1.00 0.00 H new ATOM 0 HA ASP A 77 15.300 3.170 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.360 5.140 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.474 3.979 9.383 1.00 0.00 H new ATOM 1270 N ARG A 78 14.521 3.170 6.752 1.00 0.00 N ATOM 1271 CA ARG A 78 13.606 3.674 5.823 1.00 0.00 C ATOM 1272 C ARG A 78 12.928 2.623 4.974 1.00 0.00 C ATOM 1273 O ARG A 78 12.135 2.918 4.109 1.00 0.00 O ATOM 1274 CB ARG A 78 14.190 4.905 5.139 1.00 0.00 C ATOM 1275 CG ARG A 78 14.110 6.140 6.034 1.00 0.00 C ATOM 1276 CD ARG A 78 15.303 7.051 5.856 1.00 0.00 C ATOM 1277 NE ARG A 78 15.328 8.116 6.840 1.00 0.00 N ATOM 1278 CZ ARG A 78 16.297 8.279 7.749 1.00 0.00 C ATOM 1279 NH1 ARG A 78 17.315 7.419 7.811 1.00 0.00 N ATOM 1280 NH2 ARG A 78 16.235 9.282 8.609 1.00 0.00 N ATOM 0 H ARG A 78 15.217 2.526 6.377 1.00 0.00 H new ATOM 0 HA ARG A 78 12.723 4.046 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.230 4.715 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.653 5.094 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.197 6.691 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.045 5.828 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.220 6.466 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.283 7.483 4.855 1.00 0.00 H new ATOM 0 HE ARG A 78 14.557 8.784 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.358 6.632 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.050 7.548 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.449 9.931 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.973 9.406 9.302 1.00 0.00 H new ATOM 1294 N ALA A 79 13.173 1.403 5.337 1.00 0.00 N ATOM 1295 CA ALA A 79 12.482 0.263 4.809 1.00 0.00 C ATOM 1296 C ALA A 79 11.580 -0.206 5.952 1.00 0.00 C ATOM 1297 O ALA A 79 12.049 -0.328 7.102 1.00 0.00 O ATOM 1298 CB ALA A 79 13.494 -0.811 4.526 1.00 0.00 C ATOM 0 H ALA A 79 13.881 1.163 6.031 1.00 0.00 H new ATOM 0 HA ALA A 79 11.926 0.485 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.990 -1.689 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.220 -0.445 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.007 -1.079 5.449 1.00 0.00 H new ATOM 1304 N TRP A 80 10.330 -0.484 5.671 1.00 0.00 N ATOM 1305 CA TRP A 80 9.340 -0.723 6.699 1.00 0.00 C ATOM 1306 C TRP A 80 8.493 -1.896 6.279 1.00 0.00 C ATOM 1307 O TRP A 80 8.523 -2.305 5.104 1.00 0.00 O ATOM 1308 CB TRP A 80 8.450 0.554 7.039 1.00 0.00 C ATOM 1309 CG TRP A 80 9.188 1.740 7.714 1.00 0.00 C ATOM 1310 CD1 TRP A 80 10.396 2.277 7.376 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.713 2.553 8.809 1.00 0.00 C ATOM 1312 NE1 TRP A 80 10.726 3.306 8.218 1.00 0.00 N ATOM 1313 CE2 TRP A 80 9.712 3.507 9.093 1.00 0.00 C ATOM 1314 CE3 TRP A 80 7.561 2.559 9.582 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 9.586 4.445 10.112 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 7.432 3.493 10.593 1.00 0.00 C ATOM 1317 CH2 TRP A 80 8.439 4.423 10.848 1.00 0.00 C ATOM 0 H TRP A 80 9.967 -0.552 4.720 1.00 0.00 H new ATOM 0 HA TRP A 80 9.863 -0.948 7.628 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.998 0.913 6.115 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.635 0.241 7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.010 1.937 6.555 1.00 0.00 H new ATOM 0 HE1 TRP A 80 11.597 3.836 8.190 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.774 1.843 9.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.367 5.163 10.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.536 3.502 11.196 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.308 5.140 11.645 1.00 0.00 H new ATOM 1328 N MET A 81 7.799 -2.447 7.212 1.00 0.00 N ATOM 1329 CA MET A 81 7.010 -3.573 7.041 1.00 0.00 C ATOM 1330 C MET A 81 5.693 -3.252 7.530 1.00 0.00 C ATOM 1331 O MET A 81 5.524 -2.465 8.457 1.00 0.00 O ATOM 1332 CB MET A 81 7.537 -4.779 7.792 1.00 0.00 C ATOM 1333 CG MET A 81 7.728 -4.585 9.302 1.00 0.00 C ATOM 1334 SD MET A 81 8.488 -6.001 10.133 1.00 0.00 S ATOM 1335 CE MET A 81 7.268 -7.273 9.848 1.00 0.00 C ATOM 0 H MET A 81 7.779 -2.086 8.166 1.00 0.00 H new ATOM 0 HA MET A 81 7.006 -3.837 5.984 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.851 -5.612 7.634 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.494 -5.067 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.346 -3.703 9.470 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.758 -4.386 9.758 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.211 -7.925 10.720 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.295 -6.812 9.675 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.552 -7.860 8.974 1.00 0.00 H new ATOM 1345 N TRP A 82 4.799 -3.788 6.918 1.00 0.00 N ATOM 1346 CA TRP A 82 3.468 -3.576 7.212 1.00 0.00 C ATOM 1347 C TRP A 82 2.784 -4.889 7.179 1.00 0.00 C ATOM 1348 O TRP A 82 3.254 -5.807 6.490 1.00 0.00 O ATOM 1349 CB TRP A 82 2.827 -2.482 6.331 1.00 0.00 C ATOM 1350 CG TRP A 82 3.246 -2.478 4.889 1.00 0.00 C ATOM 1351 CD1 TRP A 82 2.653 -3.129 3.861 1.00 0.00 C ATOM 1352 CD2 TRP A 82 4.351 -1.751 4.319 1.00 0.00 C ATOM 1353 NE1 TRP A 82 3.325 -2.866 2.698 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.368 -2.030 2.953 1.00 0.00 C ATOM 1355 CE3 TRP A 82 5.327 -0.901 4.837 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 5.320 -1.493 2.090 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 6.269 -0.367 3.983 1.00 0.00 C ATOM 1358 CH2 TRP A 82 6.259 -0.667 2.624 1.00 0.00 C ATOM 0 H TRP A 82 4.955 -4.433 6.143 1.00 0.00 H new ATOM 0 HA TRP A 82 3.359 -3.163 8.215 1.00 0.00 H new ATOM 0 HB2 TRP A 82 1.744 -2.594 6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.064 -1.509 6.762 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.781 -3.761 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.081 -3.239 1.781 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.345 -0.664 5.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.313 -1.724 1.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.027 0.295 4.375 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.012 -0.235 1.981 1.00 0.00 H new ATOM 1369 N LEU A 83 1.765 -5.063 7.925 1.00 0.00 N ATOM 1370 CA LEU A 83 1.147 -6.333 7.863 1.00 0.00 C ATOM 1371 C LEU A 83 -0.132 -6.246 7.072 1.00 0.00 C ATOM 1372 O LEU A 83 -1.050 -5.532 7.440 1.00 0.00 O ATOM 1373 CB LEU A 83 0.865 -6.926 9.240 1.00 0.00 C ATOM 1374 CG LEU A 83 0.013 -6.079 10.215 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.591 -6.982 11.270 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.869 -5.025 10.920 1.00 0.00 C ATOM 0 H LEU A 83 1.352 -4.380 8.560 1.00 0.00 H new ATOM 0 HA LEU A 83 1.850 -7.002 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.364 -7.884 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.821 -7.134 9.720 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.766 -5.581 9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.192 -6.387 11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.223 -7.730 10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.206 -7.480 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.245 -4.444 11.599 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.660 -5.518 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.313 -4.361 10.178 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.248 -7.056 6.093 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.374 -6.956 5.194 1.00 0.00 C ATOM 1390 C ALA A 84 -1.836 -8.269 4.743 1.00 0.00 C ATOM 1391 O ALA A 84 -1.112 -9.260 4.831 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.017 -6.184 3.972 1.00 0.00 C ATOM 0 H ALA A 84 0.412 -7.803 5.877 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.160 -6.456 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.883 -6.125 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.707 -5.178 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.199 -6.683 3.452 1.00 0.00 H new ATOM 1398 N SER A 85 -3.015 -8.295 4.258 1.00 0.00 N ATOM 1399 CA SER A 85 -3.512 -9.395 3.633 1.00 0.00 C ATOM 1400 C SER A 85 -3.170 -9.406 2.202 1.00 0.00 C ATOM 1401 O SER A 85 -3.444 -8.474 1.444 1.00 0.00 O ATOM 1402 CB SER A 85 -4.959 -9.478 3.874 1.00 0.00 C ATOM 1403 OG SER A 85 -5.431 -8.275 4.496 1.00 0.00 O ATOM 0 H SER A 85 -3.663 -7.509 4.301 1.00 0.00 H new ATOM 0 HA SER A 85 -3.048 -10.288 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.483 -9.637 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.180 -10.335 4.510 1.00 0.00 H new ATOM 0 HG SER A 85 -6.397 -8.343 4.649 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.451 -10.408 1.896 1.00 0.00 N ATOM 1410 CA ASP A 86 -2.134 -10.735 0.571 1.00 0.00 C ATOM 1411 C ASP A 86 -3.182 -11.664 -0.015 1.00 0.00 C ATOM 1412 O ASP A 86 -3.813 -12.421 0.720 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.707 -11.313 0.405 1.00 0.00 C ATOM 1414 CG ASP A 86 -0.470 -12.071 -0.915 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.594 -11.476 -1.998 1.00 0.00 O ATOM 1416 OD2 ASP A 86 -0.109 -13.275 -0.869 1.00 0.00 O ATOM 0 H ASP A 86 -2.053 -11.045 2.586 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.140 -9.801 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.012 -10.496 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.503 -11.987 1.237 1.00 0.00 H new ATOM 1421 N PHE A 87 -3.396 -11.510 -1.301 1.00 0.00 N ATOM 1422 CA PHE A 87 -4.217 -12.344 -2.151 1.00 0.00 C ATOM 1423 C PHE A 87 -4.243 -11.666 -3.484 1.00 0.00 C ATOM 1424 O PHE A 87 -5.054 -10.772 -3.714 1.00 0.00 O ATOM 1425 CB PHE A 87 -5.645 -12.475 -1.670 1.00 0.00 C ATOM 1426 CG PHE A 87 -6.533 -13.472 -2.397 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.512 -14.811 -2.090 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -7.418 -13.034 -3.373 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -7.349 -15.700 -2.738 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -8.251 -13.916 -4.025 1.00 0.00 C ATOM 1431 CZ PHE A 87 -8.216 -15.250 -3.707 1.00 0.00 C ATOM 0 H PHE A 87 -2.970 -10.742 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.797 -13.350 -2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.623 -12.749 -0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.115 -11.494 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.833 -15.174 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.454 -11.984 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.322 -16.749 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.930 -13.558 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.867 -15.945 -4.216 1.00 0.00 H new ATOM 1441 N SER A 88 -3.277 -11.966 -4.315 1.00 0.00 N ATOM 1442 CA SER A 88 -3.303 -11.452 -5.672 1.00 0.00 C ATOM 1443 C SER A 88 -4.478 -12.111 -6.352 1.00 0.00 C ATOM 1444 O SER A 88 -5.209 -11.508 -7.154 1.00 0.00 O ATOM 1445 CB SER A 88 -1.983 -11.772 -6.381 1.00 0.00 C ATOM 1446 OG SER A 88 -1.952 -11.261 -7.706 1.00 0.00 O ATOM 0 H SER A 88 -2.474 -12.552 -4.088 1.00 0.00 H new ATOM 0 HA SER A 88 -3.412 -10.368 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.154 -11.352 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.837 -12.852 -6.406 1.00 0.00 H new ATOM 0 HG SER A 88 -1.268 -11.735 -8.223 1.00 0.00 H new ATOM 1452 N ASP A 89 -4.625 -13.360 -5.967 1.00 0.00 N ATOM 1453 CA ASP A 89 -5.691 -14.265 -6.292 1.00 0.00 C ATOM 1454 C ASP A 89 -5.215 -15.596 -5.779 1.00 0.00 C ATOM 1455 O ASP A 89 -5.613 -16.662 -6.238 1.00 0.00 O ATOM 1456 CB ASP A 89 -5.887 -14.325 -7.800 1.00 0.00 C ATOM 1457 CG ASP A 89 -7.066 -15.173 -8.262 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -8.230 -14.733 -8.121 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -6.847 -16.269 -8.822 1.00 0.00 O ATOM 0 H ASP A 89 -3.933 -13.803 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.644 -13.964 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.020 -13.310 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.977 -14.716 -8.254 1.00 0.00 H new ATOM 1464 N GLY A 90 -4.407 -15.552 -4.739 1.00 0.00 N ATOM 1465 CA GLY A 90 -3.690 -16.751 -4.442 1.00 0.00 C ATOM 1466 C GLY A 90 -4.048 -17.330 -3.179 1.00 0.00 C ATOM 1467 O GLY A 90 -4.756 -18.340 -3.087 1.00 0.00 O ATOM 0 H GLY A 90 -4.243 -14.752 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.872 -17.480 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.621 -16.537 -4.445 1.00 0.00 H new ATOM 1471 N ASP A 91 -3.588 -16.706 -2.241 1.00 0.00 N ATOM 1472 CA ASP A 91 -3.710 -17.113 -0.884 1.00 0.00 C ATOM 1473 C ASP A 91 -4.073 -15.961 -0.066 1.00 0.00 C ATOM 1474 O ASP A 91 -3.416 -14.947 -0.133 1.00 0.00 O ATOM 1475 CB ASP A 91 -2.394 -17.651 -0.449 1.00 0.00 C ATOM 1476 CG ASP A 91 -2.214 -17.760 1.058 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -2.946 -18.545 1.709 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -1.307 -17.109 1.608 1.00 0.00 O ATOM 0 H ASP A 91 -3.074 -15.833 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.481 -17.876 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.258 -18.639 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.606 -17.013 -0.849 1.00 0.00 H new ATOM 1483 N ALA A 92 -5.126 -16.094 0.670 1.00 0.00 N ATOM 1484 CA ALA A 92 -5.572 -15.012 1.495 1.00 0.00 C ATOM 1485 C ALA A 92 -5.054 -15.209 2.887 1.00 0.00 C ATOM 1486 O ALA A 92 -5.576 -16.028 3.662 1.00 0.00 O ATOM 1487 CB ALA A 92 -7.088 -14.913 1.492 1.00 0.00 C ATOM 0 H ALA A 92 -5.696 -16.939 0.720 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.184 -14.075 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.400 -14.083 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.440 -14.744 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.514 -15.841 1.873 1.00 0.00 H new ATOM 1493 N LYS A 93 -4.006 -14.530 3.180 1.00 0.00 N ATOM 1494 CA LYS A 93 -3.394 -14.582 4.482 1.00 0.00 C ATOM 1495 C LYS A 93 -3.042 -13.181 4.858 1.00 0.00 C ATOM 1496 O LYS A 93 -2.985 -12.308 4.001 1.00 0.00 O ATOM 1497 CB LYS A 93 -2.077 -15.354 4.434 1.00 0.00 C ATOM 1498 CG LYS A 93 -1.479 -15.723 5.795 1.00 0.00 C ATOM 1499 CD LYS A 93 -0.035 -16.151 5.658 1.00 0.00 C ATOM 1500 CE LYS A 93 0.611 -16.374 7.012 1.00 0.00 C ATOM 1501 NZ LYS A 93 2.021 -16.785 6.878 1.00 0.00 N ATOM 0 H LYS A 93 -3.533 -13.910 2.522 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.081 -15.061 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.234 -16.270 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.347 -14.759 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.546 -14.869 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.059 -16.529 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.019 -17.069 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.520 -15.390 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.552 -15.458 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.059 -17.139 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.563 -16.438 7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.078 -17.823 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.418 -16.385 6.004 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.768 -12.972 6.088 1.00 0.00 N ATOM 1516 CA LEU A 94 -2.184 -11.739 6.490 1.00 0.00 C ATOM 1517 C LEU A 94 -0.746 -12.039 6.752 1.00 0.00 C ATOM 1518 O LEU A 94 -0.409 -12.958 7.517 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.867 -11.004 7.661 1.00 0.00 C ATOM 1520 CG LEU A 94 -2.735 -11.579 9.092 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -3.285 -10.589 10.098 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -3.469 -12.900 9.236 1.00 0.00 C ATOM 0 H LEU A 94 -2.937 -13.638 6.842 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.319 -11.013 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.480 -9.985 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.930 -10.937 7.431 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.676 -11.755 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.189 -11.000 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.726 -9.656 10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.336 -10.398 9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.353 -13.272 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.528 -12.753 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.054 -13.625 8.536 1.00 0.00 H new ATOM 1534 N GLU A 95 0.079 -11.306 6.133 1.00 0.00 N ATOM 1535 CA GLU A 95 1.392 -11.573 6.054 1.00 0.00 C ATOM 1536 C GLU A 95 2.057 -10.299 6.224 1.00 0.00 C ATOM 1537 O GLU A 95 1.534 -9.235 5.906 1.00 0.00 O ATOM 1538 CB GLU A 95 1.689 -12.226 4.695 1.00 0.00 C ATOM 1539 CG GLU A 95 3.068 -12.853 4.557 1.00 0.00 C ATOM 1540 CD GLU A 95 3.259 -14.019 5.485 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.342 -13.806 6.701 1.00 0.00 O ATOM 1542 OE2 GLU A 95 3.309 -15.184 5.017 1.00 0.00 O ATOM 0 H GLU A 95 -0.193 -10.453 5.645 1.00 0.00 H new ATOM 0 HA GLU A 95 1.741 -12.274 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.939 -12.995 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.572 -11.472 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.214 -13.182 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.829 -12.100 4.761 1.00 0.00 H new ATOM 1549 N GLN A 96 3.150 -10.405 6.744 1.00 0.00 N ATOM 1550 CA GLN A 96 3.911 -9.354 7.067 1.00 0.00 C ATOM 1551 C GLN A 96 4.901 -9.251 5.983 1.00 0.00 C ATOM 1552 O GLN A 96 5.668 -10.177 5.719 1.00 0.00 O ATOM 1553 CB GLN A 96 4.626 -9.497 8.432 1.00 0.00 C ATOM 1554 CG GLN A 96 3.853 -9.118 9.715 1.00 0.00 C ATOM 1555 CD GLN A 96 2.753 -10.074 10.207 1.00 0.00 C ATOM 1556 OE1 GLN A 96 2.523 -10.176 11.408 1.00 0.00 O ATOM 1557 NE2 GLN A 96 2.060 -10.732 9.338 1.00 0.00 N ATOM 0 H GLN A 96 3.573 -11.304 6.975 1.00 0.00 H new ATOM 0 HA GLN A 96 3.289 -8.465 7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.944 -10.535 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.529 -8.888 8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.579 -9.003 10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.398 -8.141 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.265 -10.635 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.308 -11.348 9.646 1.00 0.00 H new ATOM 1566 N LEU A 97 4.826 -8.223 5.328 1.00 0.00 N ATOM 1567 CA LEU A 97 5.738 -7.962 4.279 1.00 0.00 C ATOM 1568 C LEU A 97 6.439 -6.706 4.522 1.00 0.00 C ATOM 1569 O LEU A 97 5.978 -5.851 5.275 1.00 0.00 O ATOM 1570 CB LEU A 97 5.105 -8.004 2.854 1.00 0.00 C ATOM 1571 CG LEU A 97 4.114 -6.895 2.380 1.00 0.00 C ATOM 1572 CD1 LEU A 97 3.043 -6.544 3.398 1.00 0.00 C ATOM 1573 CD2 LEU A 97 4.834 -5.662 1.846 1.00 0.00 C ATOM 0 H LEU A 97 4.127 -7.496 5.477 1.00 0.00 H new ATOM 0 HA LEU A 97 6.457 -8.781 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.928 -8.023 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.584 -8.957 2.765 1.00 0.00 H new ATOM 0 HG LEU A 97 3.574 -7.337 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.396 -5.766 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.449 -7.430 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.514 -6.183 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.100 -4.921 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.462 -5.239 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.456 -5.943 0.996 1.00 0.00 H new ATOM 1585 N ALA A 98 7.512 -6.594 3.899 1.00 0.00 N ATOM 1586 CA ALA A 98 8.318 -5.445 3.989 1.00 0.00 C ATOM 1587 C ALA A 98 8.760 -5.106 2.620 1.00 0.00 C ATOM 1588 O ALA A 98 8.811 -5.985 1.751 1.00 0.00 O ATOM 1589 CB ALA A 98 9.523 -5.680 4.888 1.00 0.00 C ATOM 0 H ALA A 98 7.885 -7.317 3.283 1.00 0.00 H new ATOM 0 HA ALA A 98 7.747 -4.627 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.124 -4.772 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.184 -5.943 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.125 -6.493 4.484 1.00 0.00 H new ATOM 1595 N ALA A 99 9.032 -3.884 2.393 1.00 0.00 N ATOM 1596 CA ALA A 99 9.547 -3.486 1.136 1.00 0.00 C ATOM 1597 C ALA A 99 10.522 -2.410 1.360 1.00 0.00 C ATOM 1598 O ALA A 99 10.341 -1.570 2.248 1.00 0.00 O ATOM 1599 CB ALA A 99 8.454 -3.054 0.169 1.00 0.00 C ATOM 0 H ALA A 99 8.907 -3.128 3.066 1.00 0.00 H new ATOM 0 HA ALA A 99 10.033 -4.340 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.903 -2.759 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.767 -3.884 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.908 -2.210 0.590 1.00 0.00 H new ATOM 1605 N LYS A 100 11.563 -2.435 0.616 1.00 0.00 N ATOM 1606 CA LYS A 100 12.545 -1.508 0.734 1.00 0.00 C ATOM 1607 C LYS A 100 12.961 -1.107 -0.577 1.00 0.00 C ATOM 1608 O LYS A 100 12.961 -1.882 -1.537 1.00 0.00 O ATOM 1609 CB LYS A 100 13.730 -1.993 1.517 1.00 0.00 C ATOM 1610 CG LYS A 100 14.464 -3.184 0.956 1.00 0.00 C ATOM 1611 CD LYS A 100 15.699 -3.532 1.787 1.00 0.00 C ATOM 1612 CE LYS A 100 16.735 -2.405 1.798 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.930 -2.770 2.582 1.00 0.00 N ATOM 0 H LYS A 100 11.731 -3.137 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 100 12.133 -0.666 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.438 -1.169 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.395 -2.242 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.793 -4.043 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.764 -2.976 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.394 -3.751 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.157 -4.438 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 100 17.029 -2.171 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.287 -1.503 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.609 -1.983 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.653 -2.969 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.371 -3.616 2.168 1.00 0.00 H new ATOM 1627 N PHE A 101 13.260 0.059 -0.626 1.00 0.00 N ATOM 1628 CA PHE A 101 13.742 0.660 -1.800 1.00 0.00 C ATOM 1629 C PHE A 101 15.246 0.711 -1.779 1.00 0.00 C ATOM 1630 O PHE A 101 15.880 0.405 -0.764 1.00 0.00 O ATOM 1631 CB PHE A 101 13.110 2.022 -2.031 1.00 0.00 C ATOM 1632 CG PHE A 101 11.658 1.957 -2.432 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.653 1.869 -1.478 1.00 0.00 C ATOM 1634 CD2 PHE A 101 11.301 1.991 -3.769 1.00 0.00 C ATOM 1635 CE1 PHE A 101 9.327 1.816 -1.854 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.974 1.939 -4.149 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.987 1.851 -3.192 1.00 0.00 C ATOM 0 H PHE A 101 13.189 0.695 0.169 1.00 0.00 H new ATOM 0 HA PHE A 101 13.449 0.047 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 101 13.200 2.613 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.669 2.545 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.912 1.842 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.070 2.059 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.555 1.747 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.710 1.967 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.949 1.809 -3.488 1.00 0.00 H new ATOM 1647 N LYS A 102 15.774 1.069 -2.904 1.00 0.00 N ATOM 1648 CA LYS A 102 17.195 1.125 -3.220 1.00 0.00 C ATOM 1649 C LYS A 102 18.005 1.879 -2.154 1.00 0.00 C ATOM 1650 O LYS A 102 18.994 1.368 -1.631 1.00 0.00 O ATOM 1651 CB LYS A 102 17.287 1.821 -4.563 1.00 0.00 C ATOM 1652 CG LYS A 102 16.421 1.130 -5.613 1.00 0.00 C ATOM 1653 CD LYS A 102 15.963 2.080 -6.694 1.00 0.00 C ATOM 1654 CE LYS A 102 17.119 2.582 -7.544 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.655 3.435 -8.651 1.00 0.00 N ATOM 0 H LYS A 102 15.196 1.354 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 102 17.621 0.122 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.973 2.860 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.325 1.834 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.984 0.313 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.551 0.687 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.236 1.578 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.454 2.929 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.813 3.144 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.670 1.732 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.473 3.757 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.013 2.891 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.151 4.260 -8.266 1.00 0.00 H new ATOM 1669 N THR A 103 17.573 3.065 -1.837 1.00 0.00 N ATOM 1670 CA THR A 103 18.212 3.891 -0.848 1.00 0.00 C ATOM 1671 C THR A 103 17.123 4.415 0.047 1.00 0.00 C ATOM 1672 O THR A 103 15.951 4.360 -0.356 1.00 0.00 O ATOM 1673 CB THR A 103 18.880 5.097 -1.533 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.880 5.804 -2.277 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.982 4.662 -2.479 1.00 0.00 C ATOM 0 H THR A 103 16.753 3.495 -2.265 1.00 0.00 H new ATOM 0 HA THR A 103 18.962 3.322 -0.299 1.00 0.00 H new ATOM 0 HB THR A 103 19.325 5.731 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.310 6.478 -2.844 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.430 5.540 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.745 4.117 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.565 4.016 -3.251 1.00 0.00 H new ATOM 1683 N PRO A 104 17.440 4.945 1.263 1.00 0.00 N ATOM 1684 CA PRO A 104 16.450 5.605 2.127 1.00 0.00 C ATOM 1685 C PRO A 104 15.788 6.773 1.481 1.00 0.00 C ATOM 1686 O PRO A 104 14.926 7.310 2.002 1.00 0.00 O ATOM 1687 CB PRO A 104 17.256 6.126 3.270 1.00 0.00 C ATOM 1688 CG PRO A 104 18.361 5.157 3.382 1.00 0.00 C ATOM 1689 CD PRO A 104 18.746 4.865 1.950 1.00 0.00 C ATOM 0 HA PRO A 104 15.660 4.902 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.624 7.133 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.669 6.173 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.199 5.572 3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.046 4.252 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.458 5.593 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.205 3.882 1.842 1.00 0.00 H new ATOM 1697 N GLU A 105 16.272 7.178 0.396 1.00 0.00 N ATOM 1698 CA GLU A 105 15.681 8.232 -0.351 1.00 0.00 C ATOM 1699 C GLU A 105 14.394 7.718 -0.937 1.00 0.00 C ATOM 1700 O GLU A 105 13.326 8.241 -0.686 1.00 0.00 O ATOM 1701 CB GLU A 105 16.622 8.750 -1.415 1.00 0.00 C ATOM 1702 CG GLU A 105 16.041 9.867 -2.246 1.00 0.00 C ATOM 1703 CD GLU A 105 17.033 10.417 -3.206 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.296 9.777 -4.241 1.00 0.00 O ATOM 1705 OE2 GLU A 105 17.587 11.493 -2.937 1.00 0.00 O ATOM 0 H GLU A 105 17.114 6.788 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 105 15.471 9.081 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.537 9.102 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.901 7.927 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.172 9.499 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.691 10.664 -1.590 1.00 0.00 H new ATOM 1712 N LEU A 106 14.524 6.600 -1.633 1.00 0.00 N ATOM 1713 CA LEU A 106 13.422 5.966 -2.299 1.00 0.00 C ATOM 1714 C LEU A 106 12.567 5.303 -1.278 1.00 0.00 C ATOM 1715 O LEU A 106 11.347 5.352 -1.331 1.00 0.00 O ATOM 1716 CB LEU A 106 13.908 4.988 -3.399 1.00 0.00 C ATOM 1717 CG LEU A 106 14.424 5.605 -4.724 1.00 0.00 C ATOM 1718 CD1 LEU A 106 13.373 6.500 -5.364 1.00 0.00 C ATOM 1719 CD2 LEU A 106 15.727 6.360 -4.540 1.00 0.00 C ATOM 0 H LEU A 106 15.411 6.110 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 106 12.824 6.715 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.707 4.378 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.085 4.315 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 106 14.624 4.771 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.766 6.917 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.479 5.915 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.120 7.310 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 106 16.046 6.773 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.580 7.170 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.492 5.680 -4.165 1.00 0.00 H new ATOM 1731 N ALA A 107 13.238 4.743 -0.313 1.00 0.00 N ATOM 1732 CA ALA A 107 12.627 4.086 0.790 1.00 0.00 C ATOM 1733 C ALA A 107 11.888 5.096 1.619 1.00 0.00 C ATOM 1734 O ALA A 107 10.721 4.899 1.905 1.00 0.00 O ATOM 1735 CB ALA A 107 13.711 3.410 1.601 1.00 0.00 C ATOM 0 H ALA A 107 14.257 4.735 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 107 11.914 3.335 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.263 2.899 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.233 2.685 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.419 4.158 1.958 1.00 0.00 H new ATOM 1741 N GLU A 108 12.524 6.225 1.938 1.00 0.00 N ATOM 1742 CA GLU A 108 11.839 7.170 2.818 1.00 0.00 C ATOM 1743 C GLU A 108 10.672 7.865 2.142 1.00 0.00 C ATOM 1744 O GLU A 108 9.568 7.875 2.691 1.00 0.00 O ATOM 1745 CB GLU A 108 12.772 8.166 3.514 1.00 0.00 C ATOM 1746 CG GLU A 108 12.044 9.065 4.508 1.00 0.00 C ATOM 1747 CD GLU A 108 12.953 9.978 5.275 1.00 0.00 C ATOM 1748 OE1 GLU A 108 13.417 10.995 4.718 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.222 9.685 6.457 1.00 0.00 O ATOM 0 H GLU A 108 13.455 6.497 1.623 1.00 0.00 H new ATOM 0 HA GLU A 108 11.425 6.551 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.557 7.618 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.261 8.785 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.310 9.665 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.492 8.441 5.212 1.00 0.00 H new ATOM 1756 N GLU A 109 10.890 8.378 0.942 1.00 0.00 N ATOM 1757 CA GLU A 109 9.846 9.138 0.227 1.00 0.00 C ATOM 1758 C GLU A 109 8.597 8.311 0.016 1.00 0.00 C ATOM 1759 O GLU A 109 7.480 8.774 0.273 1.00 0.00 O ATOM 1760 CB GLU A 109 10.332 9.635 -1.136 1.00 0.00 C ATOM 1761 CG GLU A 109 11.449 10.647 -1.081 1.00 0.00 C ATOM 1762 CD GLU A 109 11.085 11.865 -0.284 1.00 0.00 C ATOM 1763 OE1 GLU A 109 10.252 12.670 -0.745 1.00 0.00 O ATOM 1764 OE2 GLU A 109 11.660 12.073 0.797 1.00 0.00 O ATOM 0 H GLU A 109 11.771 8.290 0.435 1.00 0.00 H new ATOM 0 HA GLU A 109 9.615 9.994 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.666 8.778 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.488 10.075 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.334 10.183 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.713 10.947 -2.095 1.00 0.00 H new ATOM 1771 N PHE A 110 8.777 7.079 -0.408 1.00 0.00 N ATOM 1772 CA PHE A 110 7.709 6.231 -0.647 1.00 0.00 C ATOM 1773 C PHE A 110 7.048 5.756 0.631 1.00 0.00 C ATOM 1774 O PHE A 110 5.856 5.625 0.660 1.00 0.00 O ATOM 1775 CB PHE A 110 8.146 5.115 -1.545 1.00 0.00 C ATOM 1776 CG PHE A 110 8.229 5.515 -3.002 1.00 0.00 C ATOM 1777 CD1 PHE A 110 9.366 6.124 -3.514 1.00 0.00 C ATOM 1778 CD2 PHE A 110 7.158 5.295 -3.851 1.00 0.00 C ATOM 1779 CE1 PHE A 110 9.434 6.500 -4.840 1.00 0.00 C ATOM 1780 CE2 PHE A 110 7.219 5.671 -5.180 1.00 0.00 C ATOM 1781 CZ PHE A 110 8.358 6.274 -5.675 1.00 0.00 C ATOM 0 H PHE A 110 9.692 6.666 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 110 6.928 6.787 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.122 4.756 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 110 7.450 4.283 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 110 10.210 6.306 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.264 4.824 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 110 10.327 6.970 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.376 5.493 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 110 8.407 6.568 -6.713 1.00 0.00 H new ATOM 1791 N LYS A 111 7.830 5.558 1.689 1.00 0.00 N ATOM 1792 CA LYS A 111 7.320 5.112 3.006 1.00 0.00 C ATOM 1793 C LYS A 111 6.328 6.136 3.521 1.00 0.00 C ATOM 1794 O LYS A 111 5.210 5.816 3.931 1.00 0.00 O ATOM 1795 CB LYS A 111 8.507 5.017 3.967 1.00 0.00 C ATOM 1796 CG LYS A 111 8.287 4.217 5.256 1.00 0.00 C ATOM 1797 CD LYS A 111 7.507 4.976 6.330 1.00 0.00 C ATOM 1798 CE LYS A 111 8.269 6.200 6.819 1.00 0.00 C ATOM 1799 NZ LYS A 111 7.564 6.875 7.913 1.00 0.00 N ATOM 0 H LYS A 111 8.840 5.700 1.669 1.00 0.00 H new ATOM 0 HA LYS A 111 6.827 4.143 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.345 4.573 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.805 6.029 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.754 3.298 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.256 3.926 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 111 6.541 5.284 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 111 7.306 4.312 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.262 5.901 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.409 6.896 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.624 7.905 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.566 6.584 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.002 6.616 8.820 1.00 0.00 H new ATOM 1813 N GLN A 112 6.778 7.356 3.487 1.00 0.00 N ATOM 1814 CA GLN A 112 5.996 8.542 3.864 1.00 0.00 C ATOM 1815 C GLN A 112 4.735 8.618 3.053 1.00 0.00 C ATOM 1816 O GLN A 112 3.650 8.848 3.576 1.00 0.00 O ATOM 1817 CB GLN A 112 6.775 9.735 3.487 1.00 0.00 C ATOM 1818 CG GLN A 112 8.058 9.946 4.284 1.00 0.00 C ATOM 1819 CD GLN A 112 7.806 10.352 5.724 1.00 0.00 C ATOM 1820 OE1 GLN A 112 7.664 9.512 6.620 1.00 0.00 O ATOM 1821 NE2 GLN A 112 7.790 11.630 5.969 1.00 0.00 N ATOM 0 H GLN A 112 7.727 7.582 3.190 1.00 0.00 H new ATOM 0 HA GLN A 112 5.773 8.488 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.030 9.665 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.143 10.615 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.643 9.026 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.659 10.714 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.910 12.297 5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.657 11.965 6.923 1.00 0.00 H new ATOM 1830 N LYS A 113 4.899 8.439 1.757 1.00 0.00 N ATOM 1831 CA LYS A 113 3.813 8.506 0.851 1.00 0.00 C ATOM 1832 C LYS A 113 2.865 7.383 1.135 1.00 0.00 C ATOM 1833 O LYS A 113 1.690 7.540 1.006 1.00 0.00 O ATOM 1834 CB LYS A 113 4.318 8.399 -0.571 1.00 0.00 C ATOM 1835 CG LYS A 113 3.851 9.526 -1.482 1.00 0.00 C ATOM 1836 CD LYS A 113 4.277 9.305 -2.931 1.00 0.00 C ATOM 1837 CE LYS A 113 3.448 8.219 -3.613 1.00 0.00 C ATOM 1838 NZ LYS A 113 2.038 8.639 -3.825 1.00 0.00 N ATOM 0 H LYS A 113 5.800 8.243 1.320 1.00 0.00 H new ATOM 0 HA LYS A 113 3.299 9.460 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.408 8.384 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.991 7.448 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.765 9.606 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 113 4.257 10.472 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.177 10.239 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.331 9.029 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.899 7.969 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.468 7.314 -3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.681 8.224 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.455 8.311 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.990 9.676 -3.885 1.00 0.00 H new ATOM 1852 N PHE A 114 3.399 6.268 1.589 1.00 0.00 N ATOM 1853 CA PHE A 114 2.555 5.067 1.850 1.00 0.00 C ATOM 1854 C PHE A 114 1.554 5.316 2.956 1.00 0.00 C ATOM 1855 O PHE A 114 0.361 5.110 2.768 1.00 0.00 O ATOM 1856 CB PHE A 114 3.348 3.778 2.175 1.00 0.00 C ATOM 1857 CG PHE A 114 4.120 3.161 1.036 1.00 0.00 C ATOM 1858 CD1 PHE A 114 3.614 3.149 -0.256 1.00 0.00 C ATOM 1859 CD2 PHE A 114 5.360 2.592 1.264 1.00 0.00 C ATOM 1860 CE1 PHE A 114 4.333 2.580 -1.289 1.00 0.00 C ATOM 1861 CE2 PHE A 114 6.081 2.026 0.235 1.00 0.00 C ATOM 1862 CZ PHE A 114 5.567 2.021 -1.042 1.00 0.00 C ATOM 0 H PHE A 114 4.392 6.145 1.789 1.00 0.00 H new ATOM 0 HA PHE A 114 2.041 4.897 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.047 4.001 2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 114 2.649 3.034 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.648 3.589 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 114 5.769 2.591 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 114 3.928 2.574 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 114 7.048 1.587 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 114 6.131 1.579 -1.850 1.00 0.00 H new ATOM 1872 N GLU A 115 2.035 5.777 4.090 1.00 0.00 N ATOM 1873 CA GLU A 115 1.174 6.083 5.236 1.00 0.00 C ATOM 1874 C GLU A 115 0.240 7.243 4.891 1.00 0.00 C ATOM 1875 O GLU A 115 -0.925 7.226 5.263 1.00 0.00 O ATOM 1876 CB GLU A 115 2.045 6.405 6.469 1.00 0.00 C ATOM 1877 CG GLU A 115 3.108 7.455 6.182 1.00 0.00 C ATOM 1878 CD GLU A 115 3.980 7.809 7.340 1.00 0.00 C ATOM 1879 OE1 GLU A 115 4.985 7.129 7.576 1.00 0.00 O ATOM 1880 OE2 GLU A 115 3.716 8.824 7.996 1.00 0.00 O ATOM 0 H GLU A 115 3.026 5.953 4.254 1.00 0.00 H new ATOM 0 HA GLU A 115 0.557 5.217 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.405 6.755 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.528 5.491 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.739 7.097 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.615 8.361 5.828 1.00 0.00 H new ATOM 1887 N GLU A 116 0.740 8.227 4.138 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.064 9.341 3.747 1.00 0.00 C ATOM 1889 C GLU A 116 -1.182 8.884 2.807 1.00 0.00 C ATOM 1890 O GLU A 116 -2.349 9.198 3.025 1.00 0.00 O ATOM 1891 CB GLU A 116 0.765 10.454 3.106 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.002 11.763 2.965 1.00 0.00 C ATOM 1893 CD GLU A 116 -0.351 12.371 4.315 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -1.254 11.873 5.007 1.00 0.00 O ATOM 1895 OE2 GLU A 116 0.285 13.366 4.723 1.00 0.00 O ATOM 0 H GLU A 116 1.701 8.256 3.797 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.509 9.758 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.658 10.626 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.101 10.128 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.595 12.472 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.917 11.587 2.400 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.817 8.074 1.804 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.699 7.516 0.869 1.00 0.00 C ATOM 1904 C CYS A 117 -2.750 6.674 1.523 1.00 0.00 C ATOM 1905 O CYS A 117 -3.866 6.616 1.029 1.00 0.00 O ATOM 1906 CB CYS A 117 -0.940 6.746 -0.147 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.121 7.748 -1.419 1.00 0.00 S ATOM 0 H CYS A 117 0.153 7.801 1.648 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.223 8.331 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.186 6.147 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -1.622 6.051 -0.637 1.00 0.00 H new ATOM 0 HG CYS A 117 1.066 8.083 -1.010 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.397 6.027 2.638 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.348 5.211 3.365 1.00 0.00 C ATOM 1915 C GLN A 118 -4.575 6.065 3.698 1.00 0.00 C ATOM 1916 O GLN A 118 -5.703 5.677 3.387 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.707 4.753 4.703 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.658 3.677 4.635 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.979 3.457 5.982 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -1.571 3.663 7.037 1.00 0.00 O ATOM 1921 NE2 GLN A 118 0.261 3.047 5.961 1.00 0.00 N ATOM 0 H GLN A 118 -1.463 6.058 3.047 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.628 4.348 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.263 5.627 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.506 4.404 5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.115 2.745 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.909 3.947 3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.729 2.884 5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.761 2.890 6.836 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.351 7.241 4.280 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.453 8.157 4.551 1.00 0.00 C ATOM 1932 C ARG A 119 -5.977 8.836 3.311 1.00 0.00 C ATOM 1933 O ARG A 119 -7.170 8.904 3.032 1.00 0.00 O ATOM 1934 CB ARG A 119 -5.120 9.221 5.609 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.764 8.709 6.996 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.312 8.249 7.098 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.367 9.358 6.879 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.187 9.511 7.503 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.761 8.611 8.375 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.426 10.552 7.215 1.00 0.00 N ATOM 0 H ARG A 119 -3.432 7.577 4.568 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.235 7.513 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.286 9.819 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.975 9.890 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.944 9.497 7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.423 7.880 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.138 7.813 8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.127 7.465 6.364 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.631 10.069 6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.330 7.790 8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.137 8.739 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.735 11.234 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.471 10.674 7.685 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.063 9.313 2.614 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.269 10.217 1.526 1.00 0.00 C ATOM 1956 C LEU A 120 -5.807 9.695 0.251 1.00 0.00 C ATOM 1957 O LEU A 120 -6.776 10.243 -0.208 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.133 11.227 1.326 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.270 12.556 2.085 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.288 12.345 3.581 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.167 13.522 1.684 1.00 0.00 C ATOM 0 H LEU A 120 -4.080 9.090 2.770 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.134 10.759 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.197 10.755 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.052 11.446 0.261 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.228 12.996 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.386 13.308 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.132 11.709 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.359 11.866 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.284 14.456 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.197 13.083 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.228 13.721 0.614 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.296 8.561 -0.247 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.591 8.075 -1.635 1.00 0.00 C ATOM 1975 C LEU A 121 -7.094 7.808 -1.802 1.00 0.00 C ATOM 1976 O LEU A 121 -7.641 7.730 -2.900 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.727 6.838 -1.991 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.659 6.443 -3.482 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -4.033 7.556 -4.311 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -3.857 5.166 -3.666 1.00 0.00 C ATOM 0 H LEU A 121 -4.672 7.949 0.280 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.320 8.857 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.711 7.021 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.108 5.984 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.680 6.276 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.996 7.254 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.632 8.462 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.022 7.751 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.823 4.907 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.843 5.317 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.329 4.356 -3.110 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.687 7.634 -0.697 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.098 7.428 -0.509 1.00 0.00 C ATOM 1994 C LEU A 122 -9.968 8.674 -0.731 1.00 0.00 C ATOM 1995 O LEU A 122 -11.012 8.615 -1.339 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.183 7.281 0.925 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.558 6.038 1.568 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.868 6.017 3.056 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -9.069 4.767 0.905 1.00 0.00 C ATOM 0 H LEU A 122 -7.177 7.627 0.186 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.429 6.634 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.719 8.158 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.238 7.302 1.199 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.478 6.081 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.421 5.131 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.457 6.911 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.948 5.994 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.610 3.899 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.152 4.710 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.811 4.780 -0.154 1.00 0.00 H new