USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 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 34 TYR OH : rot 30:sc= 1.07 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 11 TYR OH : rot -178:sc= 1.07 USER MOD Set 2.2: A 86 HIS : no HD1:sc= -0.0138 X(o=1.1,f=0.84) USER MOD Set 3.1: A 8 TYR OH : rot -44:sc= 0.975 USER MOD Set 3.2: A 83 SER OG : rot 16:sc= 1.91 USER MOD Single : A 7 SER OG : rot -64:sc= 0.468 USER MOD Single : A 14 SER OG : rot 79:sc= 0.348 USER MOD Single : A 17 ASN : amide:sc= 0.0938 K(o=0.094,f=-3.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.03 (180deg=6.6e-05) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= 0.471 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0685 K(o=-0.068,f=-3.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0228) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00102 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-3!) USER MOD Single : A 56 MET CE :methyl -179:sc= -1.79 (180deg=-1.81) USER MOD Single : A 57 GLN : amide:sc= 0.078 X(o=0.078,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.42) USER MOD Single : A 59 TYR OH : rot 107:sc= -0.544 USER MOD Single : A 61 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.55) USER MOD Single : A 62 SER OG : rot 159:sc= 0.711 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.042 K(o=-0.042,f=-0.71) USER MOD Single : A 94 THR OG1 : rot 180:sc=0.000663 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.548 K(o=0.55,f=-7.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -120:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 168:sc= -0.0336 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 6 2.443 11.398 -10.754 1.00 0.00 N ATOM 83 CA LEU A 6 2.905 10.086 -10.312 1.00 0.00 C ATOM 84 C LEU A 6 1.716 9.237 -9.833 1.00 0.00 C ATOM 85 O LEU A 6 1.082 9.549 -8.811 1.00 0.00 O ATOM 86 CB LEU A 6 3.961 10.253 -9.188 1.00 0.00 C ATOM 87 CG LEU A 6 4.603 8.944 -8.630 1.00 0.00 C ATOM 88 CD1 LEU A 6 5.281 8.111 -9.742 1.00 0.00 C ATOM 89 CD2 LEU A 6 5.594 9.270 -7.494 1.00 0.00 C ATOM 0 HA LEU A 6 3.372 9.567 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.761 10.891 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.494 10.784 -8.358 1.00 0.00 H new ATOM 0 HG LEU A 6 3.799 8.331 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.714 7.210 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.540 7.833 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.068 8.702 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.032 8.346 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.384 9.917 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.067 9.778 -6.686 1.00 0.00 H new ATOM 101 N SER A 7 1.394 8.202 -10.626 1.00 0.00 N ATOM 102 CA SER A 7 0.397 7.199 -10.265 1.00 0.00 C ATOM 103 C SER A 7 0.981 6.315 -9.152 1.00 0.00 C ATOM 104 O SER A 7 2.191 6.035 -9.150 1.00 0.00 O ATOM 105 CB SER A 7 0.002 6.363 -11.505 1.00 0.00 C ATOM 106 OG SER A 7 -1.115 5.537 -11.236 1.00 0.00 O ATOM 0 H SER A 7 1.823 8.043 -11.537 1.00 0.00 H new ATOM 0 HA SER A 7 -0.510 7.680 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.228 7.029 -12.337 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.846 5.747 -11.814 1.00 0.00 H new ATOM 0 HG SER A 7 -0.876 4.876 -10.553 1.00 0.00 H new ATOM 112 N TYR A 8 0.123 5.887 -8.219 1.00 0.00 N ATOM 113 CA TYR A 8 0.546 5.198 -6.990 1.00 0.00 C ATOM 114 C TYR A 8 1.267 3.866 -7.289 1.00 0.00 C ATOM 115 O TYR A 8 2.197 3.518 -6.583 1.00 0.00 O ATOM 116 CB TYR A 8 -0.668 4.972 -6.065 1.00 0.00 C ATOM 117 CG TYR A 8 -0.325 4.421 -4.668 1.00 0.00 C ATOM 118 CD1 TYR A 8 0.641 5.042 -3.874 1.00 0.00 C ATOM 119 CD2 TYR A 8 -0.984 3.314 -4.130 1.00 0.00 C ATOM 120 CE1 TYR A 8 0.935 4.583 -2.607 1.00 0.00 C ATOM 121 CE2 TYR A 8 -0.688 2.851 -2.861 1.00 0.00 C ATOM 122 CZ TYR A 8 0.268 3.492 -2.106 1.00 0.00 C ATOM 123 OH TYR A 8 0.557 3.038 -0.847 1.00 0.00 O ATOM 0 H TYR A 8 -0.887 6.008 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 8 1.266 5.839 -6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.197 5.917 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.355 4.281 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.170 5.901 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.739 2.810 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.687 5.080 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.205 1.990 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 8 1.529 3.025 -0.719 1.00 0.00 H new ATOM 133 N GLY A 9 0.864 3.184 -8.376 1.00 0.00 N ATOM 134 CA GLY A 9 1.465 1.904 -8.784 1.00 0.00 C ATOM 135 C GLY A 9 2.884 2.073 -9.300 1.00 0.00 C ATOM 136 O GLY A 9 3.756 1.245 -9.023 1.00 0.00 O ATOM 0 H GLY A 9 0.117 3.503 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.468 1.220 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.850 1.447 -9.560 1.00 0.00 H new ATOM 140 N GLU A 10 3.106 3.185 -10.033 1.00 0.00 N ATOM 141 CA GLU A 10 4.443 3.594 -10.513 1.00 0.00 C ATOM 142 C GLU A 10 5.356 3.889 -9.318 1.00 0.00 C ATOM 143 O GLU A 10 6.542 3.523 -9.301 1.00 0.00 O ATOM 144 CB GLU A 10 4.342 4.872 -11.393 1.00 0.00 C ATOM 145 CG GLU A 10 3.384 4.760 -12.586 1.00 0.00 C ATOM 146 CD GLU A 10 3.776 3.657 -13.576 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.747 3.850 -14.343 1.00 0.00 O ATOM 148 OE2 GLU A 10 3.132 2.590 -13.584 1.00 0.00 O ATOM 0 H GLU A 10 2.362 3.825 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 10 4.856 2.779 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.022 5.704 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.336 5.118 -11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.377 4.567 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.354 5.715 -13.110 1.00 0.00 H new ATOM 155 N TYR A 11 4.757 4.556 -8.319 1.00 0.00 N ATOM 156 CA TYR A 11 5.430 4.933 -7.081 1.00 0.00 C ATOM 157 C TYR A 11 5.781 3.693 -6.235 1.00 0.00 C ATOM 158 O TYR A 11 6.849 3.644 -5.633 1.00 0.00 O ATOM 159 CB TYR A 11 4.550 5.914 -6.264 1.00 0.00 C ATOM 160 CG TYR A 11 5.174 6.282 -4.920 1.00 0.00 C ATOM 161 CD1 TYR A 11 6.432 6.895 -4.868 1.00 0.00 C ATOM 162 CD2 TYR A 11 4.554 5.953 -3.715 1.00 0.00 C ATOM 163 CE1 TYR A 11 7.035 7.169 -3.672 1.00 0.00 C ATOM 164 CE2 TYR A 11 5.152 6.243 -2.518 1.00 0.00 C ATOM 165 CZ TYR A 11 6.397 6.838 -2.504 1.00 0.00 C ATOM 166 OH TYR A 11 7.012 7.093 -1.315 1.00 0.00 O ATOM 0 H TYR A 11 3.781 4.849 -8.355 1.00 0.00 H new ATOM 0 HA TYR A 11 6.362 5.433 -7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.388 6.821 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.572 5.464 -6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.934 7.156 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.591 5.464 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.006 7.642 -3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.652 6.007 -1.590 1.00 0.00 H new ATOM 0 HH TYR A 11 6.448 6.774 -0.580 1.00 0.00 H new ATOM 176 N LEU A 12 4.869 2.707 -6.203 1.00 0.00 N ATOM 177 CA LEU A 12 5.045 1.460 -5.421 1.00 0.00 C ATOM 178 C LEU A 12 6.226 0.648 -5.933 1.00 0.00 C ATOM 179 O LEU A 12 6.903 0.006 -5.147 1.00 0.00 O ATOM 180 CB LEU A 12 3.754 0.605 -5.447 1.00 0.00 C ATOM 181 CG LEU A 12 2.569 1.175 -4.616 1.00 0.00 C ATOM 182 CD1 LEU A 12 1.258 0.443 -4.940 1.00 0.00 C ATOM 183 CD2 LEU A 12 2.881 1.131 -3.102 1.00 0.00 C ATOM 0 H LEU A 12 3.988 2.747 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 12 5.251 1.746 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.431 0.493 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.990 -0.393 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 12 2.437 2.220 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.449 0.864 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.027 0.561 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.366 -0.617 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.036 1.535 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.057 0.100 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.770 1.727 -2.896 1.00 0.00 H new ATOM 195 N GLU A 13 6.453 0.698 -7.254 1.00 0.00 N ATOM 196 CA GLU A 13 7.618 0.069 -7.888 1.00 0.00 C ATOM 197 C GLU A 13 8.911 0.772 -7.451 1.00 0.00 C ATOM 198 O GLU A 13 9.841 0.119 -6.989 1.00 0.00 O ATOM 199 CB GLU A 13 7.466 0.090 -9.429 1.00 0.00 C ATOM 200 CG GLU A 13 6.252 -0.704 -9.947 1.00 0.00 C ATOM 201 CD GLU A 13 6.298 -2.196 -9.562 1.00 0.00 C ATOM 202 OE1 GLU A 13 6.963 -2.979 -10.276 1.00 0.00 O ATOM 203 OE2 GLU A 13 5.678 -2.592 -8.547 1.00 0.00 O ATOM 0 H GLU A 13 5.835 1.175 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 13 7.675 -0.971 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.380 1.124 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.372 -0.316 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.339 -0.260 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.204 -0.616 -11.032 1.00 0.00 H new ATOM 210 N SER A 14 8.933 2.111 -7.568 1.00 0.00 N ATOM 211 CA SER A 14 10.100 2.947 -7.199 1.00 0.00 C ATOM 212 C SER A 14 10.461 2.790 -5.699 1.00 0.00 C ATOM 213 O SER A 14 11.640 2.773 -5.326 1.00 0.00 O ATOM 214 CB SER A 14 9.782 4.420 -7.521 1.00 0.00 C ATOM 215 OG SER A 14 9.376 4.565 -8.873 1.00 0.00 O ATOM 0 H SER A 14 8.142 2.650 -7.922 1.00 0.00 H new ATOM 0 HA SER A 14 10.963 2.617 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.994 4.779 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.661 5.036 -7.333 1.00 0.00 H new ATOM 0 HG SER A 14 8.438 4.295 -8.964 1.00 0.00 H new ATOM 221 N TRP A 15 9.417 2.671 -4.864 1.00 0.00 N ATOM 222 CA TRP A 15 9.533 2.440 -3.415 1.00 0.00 C ATOM 223 C TRP A 15 10.087 1.030 -3.152 1.00 0.00 C ATOM 224 O TRP A 15 11.007 0.853 -2.356 1.00 0.00 O ATOM 225 CB TRP A 15 8.137 2.634 -2.742 1.00 0.00 C ATOM 226 CG TRP A 15 8.089 2.246 -1.279 1.00 0.00 C ATOM 227 CD1 TRP A 15 8.449 3.014 -0.212 1.00 0.00 C ATOM 228 CD2 TRP A 15 7.678 0.983 -0.733 1.00 0.00 C ATOM 229 NE1 TRP A 15 8.287 2.314 0.951 1.00 0.00 N ATOM 230 CE2 TRP A 15 7.818 1.060 0.658 1.00 0.00 C ATOM 231 CE3 TRP A 15 7.206 -0.212 -1.299 1.00 0.00 C ATOM 232 CZ2 TRP A 15 7.516 -0.005 1.496 1.00 0.00 C ATOM 233 CZ3 TRP A 15 6.899 -1.269 -0.467 1.00 0.00 C ATOM 234 CH2 TRP A 15 7.055 -1.159 0.919 1.00 0.00 C ATOM 0 H TRP A 15 8.450 2.734 -5.183 1.00 0.00 H new ATOM 0 HA TRP A 15 10.227 3.160 -2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.843 3.679 -2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.400 2.044 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.810 4.030 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 15 8.484 2.668 1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.085 -0.302 -2.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.640 0.074 2.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.534 -2.193 -0.891 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.807 -2.002 1.547 1.00 0.00 H new ATOM 245 N PHE A 16 9.502 0.044 -3.846 1.00 0.00 N ATOM 246 CA PHE A 16 9.780 -1.381 -3.626 1.00 0.00 C ATOM 247 C PHE A 16 11.222 -1.758 -3.998 1.00 0.00 C ATOM 248 O PHE A 16 11.885 -2.460 -3.235 1.00 0.00 O ATOM 249 CB PHE A 16 8.771 -2.247 -4.423 1.00 0.00 C ATOM 250 CG PHE A 16 9.011 -3.737 -4.285 1.00 0.00 C ATOM 251 CD1 PHE A 16 8.781 -4.375 -3.070 1.00 0.00 C ATOM 252 CD2 PHE A 16 9.522 -4.488 -5.344 1.00 0.00 C ATOM 253 CE1 PHE A 16 9.044 -5.710 -2.923 1.00 0.00 C ATOM 254 CE2 PHE A 16 9.791 -5.826 -5.189 1.00 0.00 C ATOM 255 CZ PHE A 16 9.554 -6.436 -3.983 1.00 0.00 C ATOM 0 H PHE A 16 8.817 0.215 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 16 9.664 -1.577 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.761 -2.017 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.824 -1.975 -5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.391 -3.811 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.708 -4.012 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.853 -6.197 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.188 -6.397 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.767 -7.488 -3.861 1.00 0.00 H new ATOM 265 N ASN A 17 11.683 -1.275 -5.169 1.00 0.00 N ATOM 266 CA ASN A 17 13.012 -1.612 -5.734 1.00 0.00 C ATOM 267 C ASN A 17 14.137 -1.364 -4.719 1.00 0.00 C ATOM 268 O ASN A 17 14.942 -2.264 -4.427 1.00 0.00 O ATOM 269 CB ASN A 17 13.289 -0.826 -7.054 1.00 0.00 C ATOM 270 CG ASN A 17 12.603 -1.431 -8.282 1.00 0.00 C ATOM 271 OD1 ASN A 17 13.012 -2.477 -8.780 1.00 0.00 O ATOM 272 ND2 ASN A 17 11.601 -0.758 -8.818 1.00 0.00 N ATOM 0 H ASN A 17 11.144 -0.637 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 17 12.995 -2.676 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.954 0.204 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 17 14.364 -0.792 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.149 -1.104 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.279 0.108 -8.386 1.00 0.00 H new ATOM 279 N THR A 18 14.137 -0.158 -4.147 1.00 0.00 N ATOM 280 CA THR A 18 15.145 0.260 -3.169 1.00 0.00 C ATOM 281 C THR A 18 14.927 -0.446 -1.801 1.00 0.00 C ATOM 282 O THR A 18 15.888 -0.685 -1.054 1.00 0.00 O ATOM 283 CB THR A 18 15.143 1.823 -3.020 1.00 0.00 C ATOM 284 OG1 THR A 18 16.228 2.252 -2.183 1.00 0.00 O ATOM 285 CG2 THR A 18 13.816 2.368 -2.458 1.00 0.00 C ATOM 0 H THR A 18 13.438 0.557 -4.349 1.00 0.00 H new ATOM 0 HA THR A 18 16.127 -0.043 -3.533 1.00 0.00 H new ATOM 0 HB THR A 18 15.266 2.227 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 18 16.213 3.229 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.874 3.453 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.999 2.097 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.635 1.940 -1.472 1.00 0.00 H new ATOM 293 N LYS A 19 13.668 -0.850 -1.517 1.00 0.00 N ATOM 294 CA LYS A 19 13.262 -1.382 -0.198 1.00 0.00 C ATOM 295 C LYS A 19 13.594 -2.885 -0.055 1.00 0.00 C ATOM 296 O LYS A 19 13.698 -3.386 1.071 1.00 0.00 O ATOM 297 CB LYS A 19 11.745 -1.103 0.030 1.00 0.00 C ATOM 298 CG LYS A 19 11.207 -1.379 1.458 1.00 0.00 C ATOM 299 CD LYS A 19 11.988 -0.628 2.574 1.00 0.00 C ATOM 300 CE LYS A 19 12.070 0.897 2.357 1.00 0.00 C ATOM 301 NZ LYS A 19 10.734 1.535 2.304 1.00 0.00 N ATOM 0 H LYS A 19 12.907 -0.816 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 19 13.834 -0.869 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.548 -0.059 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.175 -1.709 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.157 -1.090 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.252 -2.450 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.510 -0.824 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.999 -1.032 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.651 1.345 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.603 1.100 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.844 2.563 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.199 1.153 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.220 1.337 3.186 1.00 0.00 H new ATOM 315 N ARG A 20 13.751 -3.593 -1.198 1.00 0.00 N ATOM 316 CA ARG A 20 14.201 -5.016 -1.238 1.00 0.00 C ATOM 317 C ARG A 20 15.522 -5.223 -0.467 1.00 0.00 C ATOM 318 O ARG A 20 15.741 -6.270 0.145 1.00 0.00 O ATOM 319 CB ARG A 20 14.394 -5.478 -2.705 1.00 0.00 C ATOM 320 CG ARG A 20 13.121 -5.410 -3.570 1.00 0.00 C ATOM 321 CD ARG A 20 13.385 -5.757 -5.046 1.00 0.00 C ATOM 322 NE ARG A 20 14.363 -4.837 -5.653 1.00 0.00 N ATOM 323 CZ ARG A 20 14.529 -4.607 -6.956 1.00 0.00 C ATOM 324 NH1 ARG A 20 13.765 -5.189 -7.867 1.00 0.00 N ATOM 325 NH2 ARG A 20 15.462 -3.751 -7.332 1.00 0.00 N ATOM 0 H ARG A 20 13.571 -3.199 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 20 13.425 -5.612 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.165 -4.863 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.763 -6.504 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.376 -6.097 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.697 -4.408 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.753 -6.780 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.449 -5.714 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 20 14.972 -4.326 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.027 -5.832 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.914 -4.995 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.037 -3.283 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.608 -3.558 -8.323 1.00 0.00 H new ATOM 339 N HIS A 21 16.384 -4.194 -0.512 1.00 0.00 N ATOM 340 CA HIS A 21 17.709 -4.201 0.138 1.00 0.00 C ATOM 341 C HIS A 21 17.609 -4.068 1.674 1.00 0.00 C ATOM 342 O HIS A 21 18.569 -4.381 2.380 1.00 0.00 O ATOM 343 CB HIS A 21 18.588 -3.063 -0.443 1.00 0.00 C ATOM 344 CG HIS A 21 18.902 -3.218 -1.910 1.00 0.00 C ATOM 345 ND1 HIS A 21 20.070 -3.787 -2.375 1.00 0.00 N ATOM 346 CD2 HIS A 21 18.193 -2.877 -3.012 1.00 0.00 C ATOM 347 CE1 HIS A 21 20.066 -3.786 -3.693 1.00 0.00 C ATOM 348 NE2 HIS A 21 18.940 -3.242 -4.106 1.00 0.00 N ATOM 0 H HIS A 21 16.181 -3.324 -1.005 1.00 0.00 H new ATOM 0 HA HIS A 21 18.172 -5.165 -0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 21 18.080 -2.111 -0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 21 19.523 -3.019 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 21 17.221 -2.406 -3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 21 20.853 -4.167 -4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 21 18.667 -3.113 -5.080 1.00 0.00 H new ATOM 357 N SER A 22 16.455 -3.597 2.182 1.00 0.00 N ATOM 358 CA SER A 22 16.234 -3.371 3.629 1.00 0.00 C ATOM 359 C SER A 22 15.391 -4.499 4.254 1.00 0.00 C ATOM 360 O SER A 22 15.603 -4.867 5.415 1.00 0.00 O ATOM 361 CB SER A 22 15.555 -2.000 3.840 1.00 0.00 C ATOM 362 OG SER A 22 16.350 -0.959 3.286 1.00 0.00 O ATOM 0 H SER A 22 15.648 -3.361 1.604 1.00 0.00 H new ATOM 0 HA SER A 22 17.201 -3.374 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.570 -2.000 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.404 -1.823 4.905 1.00 0.00 H new ATOM 0 HG SER A 22 15.905 -0.097 3.427 1.00 0.00 H new ATOM 368 N VAL A 23 14.429 -5.036 3.482 1.00 0.00 N ATOM 369 CA VAL A 23 13.521 -6.105 3.962 1.00 0.00 C ATOM 370 C VAL A 23 14.124 -7.504 3.709 1.00 0.00 C ATOM 371 O VAL A 23 13.910 -8.435 4.494 1.00 0.00 O ATOM 372 CB VAL A 23 12.089 -5.987 3.304 1.00 0.00 C ATOM 373 CG1 VAL A 23 11.434 -4.621 3.633 1.00 0.00 C ATOM 374 CG2 VAL A 23 12.121 -6.227 1.771 1.00 0.00 C ATOM 0 H VAL A 23 14.256 -4.749 2.519 1.00 0.00 H new ATOM 0 HA VAL A 23 13.406 -5.974 5.038 1.00 0.00 H new ATOM 0 HB VAL A 23 11.478 -6.777 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.450 -4.568 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.330 -4.518 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.061 -3.815 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.113 -6.135 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.769 -5.488 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.503 -7.227 1.567 1.00 0.00 H new ATOM 384 N GLY A 24 14.892 -7.624 2.614 1.00 0.00 N ATOM 385 CA GLY A 24 15.456 -8.900 2.165 1.00 0.00 C ATOM 386 C GLY A 24 14.677 -9.442 0.968 1.00 0.00 C ATOM 387 O GLY A 24 13.475 -9.205 0.872 1.00 0.00 O ATOM 0 H GLY A 24 15.138 -6.835 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.503 -8.765 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.429 -9.623 2.981 1.00 0.00 H new ATOM 391 N ILE A 25 15.358 -10.191 0.081 1.00 0.00 N ATOM 392 CA ILE A 25 14.820 -10.624 -1.238 1.00 0.00 C ATOM 393 C ILE A 25 13.594 -11.568 -1.094 1.00 0.00 C ATOM 394 O ILE A 25 12.566 -11.358 -1.752 1.00 0.00 O ATOM 395 CB ILE A 25 15.960 -11.306 -2.114 1.00 0.00 C ATOM 396 CG1 ILE A 25 17.207 -10.353 -2.260 1.00 0.00 C ATOM 397 CG2 ILE A 25 15.431 -11.739 -3.514 1.00 0.00 C ATOM 398 CD1 ILE A 25 16.916 -9.015 -2.923 1.00 0.00 C ATOM 0 H ILE A 25 16.308 -10.520 0.254 1.00 0.00 H new ATOM 0 HA ILE A 25 14.473 -9.728 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 25 16.276 -12.207 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.623 -10.168 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.975 -10.869 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.239 -12.200 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.619 -12.456 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 25 15.064 -10.864 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.834 -8.429 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 25 16.531 -9.183 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 25 16.174 -8.472 -2.337 1.00 0.00 H new ATOM 410 N GLN A 26 13.701 -12.575 -0.209 1.00 0.00 N ATOM 411 CA GLN A 26 12.617 -13.568 0.020 1.00 0.00 C ATOM 412 C GLN A 26 11.380 -12.904 0.669 1.00 0.00 C ATOM 413 O GLN A 26 10.242 -13.305 0.407 1.00 0.00 O ATOM 414 CB GLN A 26 13.126 -14.752 0.886 1.00 0.00 C ATOM 415 CG GLN A 26 13.589 -14.364 2.306 1.00 0.00 C ATOM 416 CD GLN A 26 14.226 -15.506 3.111 1.00 0.00 C ATOM 417 OE1 GLN A 26 14.930 -16.419 2.452 1.00 0.00 O flip ATOM 418 NE2 GLN A 26 14.116 -15.542 4.330 1.00 0.00 N flip ATOM 0 H GLN A 26 14.529 -12.729 0.366 1.00 0.00 H new ATOM 0 HA GLN A 26 12.315 -13.962 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.330 -15.492 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.956 -15.233 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.308 -13.548 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.732 -13.982 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.570 -14.829 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.571 -16.285 4.861 1.00 0.00 H new ATOM 427 N THR A 27 11.640 -11.877 1.499 1.00 0.00 N ATOM 428 CA THR A 27 10.597 -11.074 2.170 1.00 0.00 C ATOM 429 C THR A 27 9.921 -10.133 1.159 1.00 0.00 C ATOM 430 O THR A 27 8.705 -9.898 1.211 1.00 0.00 O ATOM 431 CB THR A 27 11.233 -10.237 3.327 1.00 0.00 C ATOM 432 OG1 THR A 27 11.918 -11.120 4.219 1.00 0.00 O ATOM 433 CG2 THR A 27 10.207 -9.409 4.122 1.00 0.00 C ATOM 0 H THR A 27 12.588 -11.577 1.726 1.00 0.00 H new ATOM 0 HA THR A 27 9.846 -11.747 2.584 1.00 0.00 H new ATOM 0 HB THR A 27 11.919 -9.527 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.321 -10.602 4.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.718 -8.854 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.706 -8.711 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.470 -10.076 4.569 1.00 0.00 H new ATOM 441 N ALA A 28 10.738 -9.637 0.220 1.00 0.00 N ATOM 442 CA ALA A 28 10.329 -8.661 -0.787 1.00 0.00 C ATOM 443 C ALA A 28 9.342 -9.281 -1.788 1.00 0.00 C ATOM 444 O ALA A 28 8.367 -8.636 -2.172 1.00 0.00 O ATOM 445 CB ALA A 28 11.577 -8.114 -1.495 1.00 0.00 C ATOM 0 H ALA A 28 11.718 -9.910 0.141 1.00 0.00 H new ATOM 0 HA ALA A 28 9.810 -7.836 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.278 -7.385 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.229 -7.635 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.111 -8.934 -1.976 1.00 0.00 H new ATOM 451 N LYS A 29 9.595 -10.552 -2.174 1.00 0.00 N ATOM 452 CA LYS A 29 8.699 -11.325 -3.072 1.00 0.00 C ATOM 453 C LYS A 29 7.249 -11.318 -2.554 1.00 0.00 C ATOM 454 O LYS A 29 6.298 -11.240 -3.330 1.00 0.00 O ATOM 455 CB LYS A 29 9.172 -12.799 -3.190 1.00 0.00 C ATOM 456 CG LYS A 29 8.284 -13.686 -4.108 1.00 0.00 C ATOM 457 CD LYS A 29 8.651 -15.186 -4.054 1.00 0.00 C ATOM 458 CE LYS A 29 10.083 -15.468 -4.535 1.00 0.00 C ATOM 459 NZ LYS A 29 10.421 -16.913 -4.465 1.00 0.00 N ATOM 0 H LYS A 29 10.421 -11.071 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 29 8.737 -10.845 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.193 -12.811 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.198 -13.240 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.240 -13.564 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.373 -13.335 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.539 -15.546 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.949 -15.749 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.196 -15.119 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.788 -14.901 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.395 -17.058 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.339 -17.241 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.765 -17.452 -5.066 1.00 0.00 H new ATOM 473 N VAL A 30 7.123 -11.367 -1.224 1.00 0.00 N ATOM 474 CA VAL A 30 5.839 -11.465 -0.532 1.00 0.00 C ATOM 475 C VAL A 30 5.151 -10.087 -0.499 1.00 0.00 C ATOM 476 O VAL A 30 3.935 -9.992 -0.699 1.00 0.00 O ATOM 477 CB VAL A 30 6.038 -12.043 0.917 1.00 0.00 C ATOM 478 CG1 VAL A 30 4.687 -12.407 1.576 1.00 0.00 C ATOM 479 CG2 VAL A 30 6.990 -13.262 0.889 1.00 0.00 C ATOM 0 H VAL A 30 7.923 -11.339 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 30 5.192 -12.153 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 30 6.495 -11.264 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.865 -12.803 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.064 -11.515 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.179 -13.159 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.116 -13.649 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.567 -14.040 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.959 -12.958 0.494 1.00 0.00 H new ATOM 489 N LEU A 31 5.963 -9.019 -0.302 1.00 0.00 N ATOM 490 CA LEU A 31 5.466 -7.624 -0.261 1.00 0.00 C ATOM 491 C LEU A 31 4.890 -7.214 -1.629 1.00 0.00 C ATOM 492 O LEU A 31 3.821 -6.609 -1.694 1.00 0.00 O ATOM 493 CB LEU A 31 6.580 -6.619 0.153 1.00 0.00 C ATOM 494 CG LEU A 31 7.247 -6.843 1.548 1.00 0.00 C ATOM 495 CD1 LEU A 31 8.250 -5.714 1.871 1.00 0.00 C ATOM 496 CD2 LEU A 31 6.194 -7.001 2.674 1.00 0.00 C ATOM 0 H LEU A 31 6.971 -9.100 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 31 4.680 -7.590 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.362 -6.647 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.155 -5.615 0.137 1.00 0.00 H new ATOM 0 HG LEU A 31 7.801 -7.780 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.699 -5.895 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.031 -5.692 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.729 -4.757 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.700 -7.155 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.582 -6.100 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.557 -7.859 2.459 1.00 0.00 H new ATOM 508 N LYS A 32 5.607 -7.563 -2.721 1.00 0.00 N ATOM 509 CA LYS A 32 5.157 -7.267 -4.096 1.00 0.00 C ATOM 510 C LYS A 32 4.108 -8.286 -4.555 1.00 0.00 C ATOM 511 O LYS A 32 3.259 -7.972 -5.394 1.00 0.00 O ATOM 512 CB LYS A 32 6.331 -7.228 -5.090 1.00 0.00 C ATOM 513 CG LYS A 32 5.940 -6.692 -6.484 1.00 0.00 C ATOM 514 CD LYS A 32 7.128 -6.596 -7.449 1.00 0.00 C ATOM 515 CE LYS A 32 6.735 -5.968 -8.792 1.00 0.00 C ATOM 516 NZ LYS A 32 7.910 -5.737 -9.652 1.00 0.00 N ATOM 0 H LYS A 32 6.501 -8.051 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 32 4.705 -6.275 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.124 -6.604 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.739 -8.233 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.180 -7.343 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.489 -5.706 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.919 -6.003 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.535 -7.592 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.030 -6.621 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.222 -5.023 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.868 -4.776 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.778 -5.843 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.914 -6.429 -10.428 1.00 0.00 H new ATOM 530 N GLY A 33 4.175 -9.497 -3.980 1.00 0.00 N ATOM 531 CA GLY A 33 3.130 -10.506 -4.154 1.00 0.00 C ATOM 532 C GLY A 33 1.782 -9.994 -3.665 1.00 0.00 C ATOM 533 O GLY A 33 0.737 -10.326 -4.218 1.00 0.00 O ATOM 0 H GLY A 33 4.949 -9.798 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.058 -10.780 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.399 -11.410 -3.607 1.00 0.00 H new ATOM 537 N TYR A 34 1.842 -9.133 -2.640 1.00 0.00 N ATOM 538 CA TYR A 34 0.693 -8.407 -2.118 1.00 0.00 C ATOM 539 C TYR A 34 0.408 -7.152 -2.957 1.00 0.00 C ATOM 540 O TYR A 34 -0.747 -6.822 -3.169 1.00 0.00 O ATOM 541 CB TYR A 34 0.941 -8.022 -0.644 1.00 0.00 C ATOM 542 CG TYR A 34 1.006 -9.209 0.333 1.00 0.00 C ATOM 543 CD1 TYR A 34 0.251 -10.368 0.115 1.00 0.00 C ATOM 544 CD2 TYR A 34 1.786 -9.150 1.493 1.00 0.00 C ATOM 545 CE1 TYR A 34 0.282 -11.414 1.005 1.00 0.00 C ATOM 546 CE2 TYR A 34 1.807 -10.196 2.387 1.00 0.00 C ATOM 547 CZ TYR A 34 1.055 -11.326 2.138 1.00 0.00 C ATOM 548 OH TYR A 34 1.067 -12.366 3.038 1.00 0.00 O ATOM 0 H TYR A 34 2.710 -8.923 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.181 -9.056 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.877 -7.467 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.148 -7.348 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.366 -10.441 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.381 -8.270 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.300 -12.304 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.410 -10.133 3.281 1.00 0.00 H new ATOM 0 HH TYR A 34 0.909 -13.210 2.565 1.00 0.00 H new ATOM 558 N LEU A 35 1.465 -6.458 -3.439 1.00 0.00 N ATOM 559 CA LEU A 35 1.314 -5.206 -4.216 1.00 0.00 C ATOM 560 C LEU A 35 0.510 -5.443 -5.503 1.00 0.00 C ATOM 561 O LEU A 35 -0.652 -5.050 -5.582 1.00 0.00 O ATOM 562 CB LEU A 35 2.696 -4.553 -4.537 1.00 0.00 C ATOM 563 CG LEU A 35 3.381 -3.780 -3.366 1.00 0.00 C ATOM 564 CD1 LEU A 35 4.780 -3.256 -3.774 1.00 0.00 C ATOM 565 CD2 LEU A 35 2.470 -2.632 -2.868 1.00 0.00 C ATOM 0 H LEU A 35 2.434 -6.745 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 35 0.757 -4.507 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.375 -5.336 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.564 -3.864 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 35 3.529 -4.477 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.228 -2.723 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.417 -4.096 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.682 -2.579 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.963 -2.104 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.279 -1.938 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.525 -3.045 -2.515 1.00 0.00 H new ATOM 577 N ASN A 36 1.107 -6.149 -6.471 1.00 0.00 N ATOM 578 CA ASN A 36 0.522 -6.322 -7.824 1.00 0.00 C ATOM 579 C ASN A 36 -0.826 -7.083 -7.808 1.00 0.00 C ATOM 580 O ASN A 36 -1.626 -6.938 -8.733 1.00 0.00 O ATOM 581 CB ASN A 36 1.548 -6.999 -8.780 1.00 0.00 C ATOM 582 CG ASN A 36 2.118 -8.338 -8.278 1.00 0.00 C ATOM 583 OD1 ASN A 36 1.455 -9.114 -7.583 1.00 0.00 O ATOM 584 ND2 ASN A 36 3.371 -8.610 -8.616 1.00 0.00 N ATOM 0 H ASN A 36 2.005 -6.618 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 36 0.298 -5.325 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.069 -7.164 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.375 -6.309 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.808 -9.476 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.898 -7.953 -9.191 1.00 0.00 H new ATOM 591 N SER A 37 -1.065 -7.867 -6.742 1.00 0.00 N ATOM 592 CA SER A 37 -2.306 -8.641 -6.568 1.00 0.00 C ATOM 593 C SER A 37 -3.415 -7.773 -5.928 1.00 0.00 C ATOM 594 O SER A 37 -4.533 -7.708 -6.435 1.00 0.00 O ATOM 595 CB SER A 37 -2.020 -9.889 -5.703 1.00 0.00 C ATOM 596 OG SER A 37 -3.162 -10.713 -5.569 1.00 0.00 O ATOM 0 H SER A 37 -0.402 -7.982 -5.976 1.00 0.00 H new ATOM 0 HA SER A 37 -2.662 -8.960 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.209 -10.463 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.681 -9.576 -4.716 1.00 0.00 H new ATOM 0 HG SER A 37 -2.940 -11.492 -5.017 1.00 0.00 H new ATOM 602 N ARG A 38 -3.080 -7.106 -4.810 1.00 0.00 N ATOM 603 CA ARG A 38 -4.036 -6.321 -3.989 1.00 0.00 C ATOM 604 C ARG A 38 -3.995 -4.814 -4.324 1.00 0.00 C ATOM 605 O ARG A 38 -4.975 -4.257 -4.835 1.00 0.00 O ATOM 606 CB ARG A 38 -3.744 -6.544 -2.470 1.00 0.00 C ATOM 607 CG ARG A 38 -4.099 -7.941 -1.893 1.00 0.00 C ATOM 608 CD ARG A 38 -5.619 -8.161 -1.703 1.00 0.00 C ATOM 609 NE ARG A 38 -6.387 -8.157 -2.957 1.00 0.00 N ATOM 610 CZ ARG A 38 -7.600 -7.612 -3.124 1.00 0.00 C ATOM 611 NH1 ARG A 38 -8.158 -6.869 -2.171 1.00 0.00 N ATOM 612 NH2 ARG A 38 -8.238 -7.795 -4.261 1.00 0.00 N ATOM 0 H ARG A 38 -2.129 -7.093 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.039 -6.677 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.683 -6.363 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.293 -5.792 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.709 -8.711 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.599 -8.067 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.777 -9.113 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.009 -7.382 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.961 -8.607 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.661 -6.706 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.082 -6.463 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.809 -8.347 -5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.162 -7.385 -4.399 1.00 0.00 H new ATOM 626 N ILE A 39 -2.846 -4.160 -4.039 1.00 0.00 N ATOM 627 CA ILE A 39 -2.761 -2.682 -3.990 1.00 0.00 C ATOM 628 C ILE A 39 -2.737 -2.043 -5.412 1.00 0.00 C ATOM 629 O ILE A 39 -3.413 -1.054 -5.623 1.00 0.00 O ATOM 630 CB ILE A 39 -1.532 -2.145 -3.135 1.00 0.00 C ATOM 631 CG1 ILE A 39 -1.512 -2.701 -1.659 1.00 0.00 C ATOM 632 CG2 ILE A 39 -1.539 -0.597 -3.091 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.957 -4.095 -1.466 1.00 0.00 C ATOM 0 H ILE A 39 -1.964 -4.633 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.673 -2.370 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.635 -2.508 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.929 -2.015 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.532 -2.685 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.692 -0.246 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.464 -0.204 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.466 -0.250 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.998 -4.360 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.550 -4.806 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.078 -4.125 -1.807 1.00 0.00 H new ATOM 645 N ILE A 40 -1.970 -2.606 -6.372 1.00 0.00 N ATOM 646 CA ILE A 40 -1.863 -2.040 -7.753 1.00 0.00 C ATOM 647 C ILE A 40 -3.262 -1.933 -8.456 1.00 0.00 C ATOM 648 O ILE A 40 -3.653 -0.823 -8.820 1.00 0.00 O ATOM 649 CB ILE A 40 -0.785 -2.789 -8.676 1.00 0.00 C ATOM 650 CG1 ILE A 40 0.655 -2.183 -8.507 1.00 0.00 C ATOM 651 CG2 ILE A 40 -1.177 -2.799 -10.178 1.00 0.00 C ATOM 652 CD1 ILE A 40 1.276 -2.343 -7.142 1.00 0.00 C ATOM 0 H ILE A 40 -1.414 -3.449 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.483 -1.027 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.775 -3.822 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.313 -2.647 -9.242 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.612 -1.120 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.409 -3.319 -10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.131 -3.311 -10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.266 -1.774 -10.538 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.267 -1.889 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.649 -1.852 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.361 -3.403 -6.903 1.00 0.00 H new ATOM 664 N PRO A 41 -4.079 -3.041 -8.610 1.00 0.00 N ATOM 665 CA PRO A 41 -5.378 -2.955 -9.337 1.00 0.00 C ATOM 666 C PRO A 41 -6.458 -2.162 -8.556 1.00 0.00 C ATOM 667 O PRO A 41 -7.533 -1.874 -9.097 1.00 0.00 O ATOM 668 CB PRO A 41 -5.775 -4.441 -9.529 1.00 0.00 C ATOM 669 CG PRO A 41 -5.151 -5.136 -8.360 1.00 0.00 C ATOM 670 CD PRO A 41 -3.835 -4.429 -8.112 1.00 0.00 C ATOM 0 HA PRO A 41 -5.290 -2.408 -10.276 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.858 -4.567 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.401 -4.835 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.796 -5.081 -7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.993 -6.193 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.571 -4.434 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.016 -4.908 -8.648 1.00 0.00 H new ATOM 678 N SER A 42 -6.167 -1.823 -7.283 1.00 0.00 N ATOM 679 CA SER A 42 -7.079 -1.039 -6.434 1.00 0.00 C ATOM 680 C SER A 42 -6.613 0.435 -6.357 1.00 0.00 C ATOM 681 O SER A 42 -7.193 1.309 -6.997 1.00 0.00 O ATOM 682 CB SER A 42 -7.155 -1.685 -5.022 1.00 0.00 C ATOM 683 OG SER A 42 -8.118 -1.049 -4.196 1.00 0.00 O ATOM 0 H SER A 42 -5.297 -2.085 -6.819 1.00 0.00 H new ATOM 0 HA SER A 42 -8.078 -1.044 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.403 -2.742 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.176 -1.630 -4.545 1.00 0.00 H new ATOM 0 HG SER A 42 -8.251 -1.578 -3.382 1.00 0.00 H new ATOM 689 N LEU A 43 -5.520 0.676 -5.617 1.00 0.00 N ATOM 690 CA LEU A 43 -4.999 2.028 -5.310 1.00 0.00 C ATOM 691 C LEU A 43 -3.910 2.469 -6.306 1.00 0.00 C ATOM 692 O LEU A 43 -3.680 3.664 -6.477 1.00 0.00 O ATOM 693 CB LEU A 43 -4.410 2.034 -3.872 1.00 0.00 C ATOM 694 CG LEU A 43 -5.339 1.484 -2.743 1.00 0.00 C ATOM 695 CD1 LEU A 43 -4.641 1.524 -1.370 1.00 0.00 C ATOM 696 CD2 LEU A 43 -6.687 2.231 -2.714 1.00 0.00 C ATOM 0 H LEU A 43 -4.960 -0.071 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.828 2.731 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.491 1.447 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.133 3.058 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.549 0.439 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.315 1.134 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.739 0.913 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.374 2.553 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.311 1.825 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.512 3.291 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.193 2.106 -3.671 1.00 0.00 H new ATOM 708 N GLY A 44 -3.236 1.490 -6.934 1.00 0.00 N ATOM 709 CA GLY A 44 -2.080 1.753 -7.794 1.00 0.00 C ATOM 710 C GLY A 44 -2.453 2.436 -9.103 1.00 0.00 C ATOM 711 O GLY A 44 -1.736 3.321 -9.577 1.00 0.00 O ATOM 0 H GLY A 44 -3.479 0.502 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.368 2.378 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.576 0.812 -8.013 1.00 0.00 H new ATOM 715 N ASN A 45 -3.580 1.999 -9.694 1.00 0.00 N ATOM 716 CA ASN A 45 -4.174 2.614 -10.909 1.00 0.00 C ATOM 717 C ASN A 45 -4.602 4.077 -10.661 1.00 0.00 C ATOM 718 O ASN A 45 -4.734 4.864 -11.605 1.00 0.00 O ATOM 719 CB ASN A 45 -5.390 1.764 -11.378 1.00 0.00 C ATOM 720 CG ASN A 45 -5.002 0.367 -11.872 1.00 0.00 C ATOM 721 OD1 ASN A 45 -3.988 -0.202 -11.463 1.00 0.00 O ATOM 722 ND2 ASN A 45 -5.802 -0.196 -12.753 1.00 0.00 N ATOM 0 H ASN A 45 -4.113 1.203 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.414 2.629 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.095 1.666 -10.553 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.907 2.294 -12.178 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.589 -1.126 -13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.635 0.298 -13.074 1.00 0.00 H new ATOM 729 N ILE A 46 -4.815 4.411 -9.381 1.00 0.00 N ATOM 730 CA ILE A 46 -5.185 5.755 -8.917 1.00 0.00 C ATOM 731 C ILE A 46 -3.905 6.597 -8.717 1.00 0.00 C ATOM 732 O ILE A 46 -2.843 6.041 -8.412 1.00 0.00 O ATOM 733 CB ILE A 46 -5.992 5.637 -7.562 1.00 0.00 C ATOM 734 CG1 ILE A 46 -7.184 4.637 -7.718 1.00 0.00 C ATOM 735 CG2 ILE A 46 -6.482 7.013 -7.059 1.00 0.00 C ATOM 736 CD1 ILE A 46 -7.967 4.358 -6.442 1.00 0.00 C ATOM 0 H ILE A 46 -4.733 3.737 -8.620 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.815 6.246 -9.658 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.310 5.247 -6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.871 5.029 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.798 3.693 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.031 6.885 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.625 7.665 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.136 7.462 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.771 3.654 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.301 3.932 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.390 5.289 -6.064 1.00 0.00 H new ATOM 748 N LYS A 47 -4.006 7.933 -8.900 1.00 0.00 N ATOM 749 CA LYS A 47 -2.884 8.858 -8.653 1.00 0.00 C ATOM 750 C LYS A 47 -2.646 8.977 -7.139 1.00 0.00 C ATOM 751 O LYS A 47 -3.605 8.917 -6.358 1.00 0.00 O ATOM 752 CB LYS A 47 -3.175 10.261 -9.256 1.00 0.00 C ATOM 753 CG LYS A 47 -3.600 10.251 -10.741 1.00 0.00 C ATOM 754 CD LYS A 47 -2.543 9.639 -11.695 1.00 0.00 C ATOM 755 CE LYS A 47 -3.017 9.628 -13.163 1.00 0.00 C ATOM 756 NZ LYS A 47 -2.040 8.979 -14.059 1.00 0.00 N ATOM 0 H LYS A 47 -4.858 8.393 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.991 8.461 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.962 10.737 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.283 10.878 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.530 9.691 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.809 11.273 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.616 10.207 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.319 8.620 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.972 9.107 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.188 10.652 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.400 8.994 -15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.136 9.491 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.895 7.994 -13.759 1.00 0.00 H new ATOM 770 N LEU A 48 -1.377 9.170 -6.750 1.00 0.00 N ATOM 771 CA LEU A 48 -0.929 9.195 -5.336 1.00 0.00 C ATOM 772 C LEU A 48 -1.722 10.214 -4.465 1.00 0.00 C ATOM 773 O LEU A 48 -2.093 9.905 -3.326 1.00 0.00 O ATOM 774 CB LEU A 48 0.604 9.476 -5.309 1.00 0.00 C ATOM 775 CG LEU A 48 1.297 9.608 -3.910 1.00 0.00 C ATOM 776 CD1 LEU A 48 0.990 8.415 -2.988 1.00 0.00 C ATOM 777 CD2 LEU A 48 2.821 9.778 -4.076 1.00 0.00 C ATOM 0 H LEU A 48 -0.616 9.316 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.134 8.223 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.101 8.674 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.785 10.398 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 48 0.886 10.498 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.494 8.555 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.086 8.348 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.344 7.495 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.286 9.868 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.230 8.910 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.026 10.676 -4.658 1.00 0.00 H new ATOM 789 N ALA A 49 -2.004 11.406 -5.024 1.00 0.00 N ATOM 790 CA ALA A 49 -2.759 12.470 -4.313 1.00 0.00 C ATOM 791 C ALA A 49 -4.285 12.242 -4.362 1.00 0.00 C ATOM 792 O ALA A 49 -5.025 12.853 -3.588 1.00 0.00 O ATOM 793 CB ALA A 49 -2.412 13.846 -4.891 1.00 0.00 C ATOM 0 H ALA A 49 -1.721 11.663 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.459 12.430 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.973 14.615 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.344 14.030 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.672 13.872 -5.949 1.00 0.00 H new ATOM 799 N LYS A 50 -4.751 11.385 -5.286 1.00 0.00 N ATOM 800 CA LYS A 50 -6.184 11.019 -5.390 1.00 0.00 C ATOM 801 C LYS A 50 -6.567 9.934 -4.369 1.00 0.00 C ATOM 802 O LYS A 50 -7.756 9.675 -4.178 1.00 0.00 O ATOM 803 CB LYS A 50 -6.538 10.580 -6.841 1.00 0.00 C ATOM 804 CG LYS A 50 -6.540 11.729 -7.871 1.00 0.00 C ATOM 805 CD LYS A 50 -7.640 12.785 -7.569 1.00 0.00 C ATOM 806 CE LYS A 50 -7.647 13.945 -8.575 1.00 0.00 C ATOM 807 NZ LYS A 50 -7.947 13.499 -9.960 1.00 0.00 N ATOM 0 H LYS A 50 -4.157 10.928 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.771 11.906 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.825 9.821 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.522 10.111 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.564 12.214 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.696 11.320 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.615 12.298 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.489 13.182 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.387 14.684 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.676 14.441 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.023 14.328 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.183 12.880 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.846 12.976 -9.969 1.00 0.00 H new ATOM 821 N LEU A 51 -5.560 9.306 -3.720 1.00 0.00 N ATOM 822 CA LEU A 51 -5.788 8.354 -2.607 1.00 0.00 C ATOM 823 C LEU A 51 -6.461 9.068 -1.414 1.00 0.00 C ATOM 824 O LEU A 51 -5.786 9.699 -0.602 1.00 0.00 O ATOM 825 CB LEU A 51 -4.453 7.673 -2.148 1.00 0.00 C ATOM 826 CG LEU A 51 -4.070 6.325 -2.836 1.00 0.00 C ATOM 827 CD1 LEU A 51 -3.884 6.471 -4.357 1.00 0.00 C ATOM 828 CD2 LEU A 51 -2.813 5.728 -2.174 1.00 0.00 C ATOM 0 H LEU A 51 -4.576 9.442 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.453 7.572 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.639 8.379 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.514 7.499 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.903 5.637 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.619 5.505 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.813 6.824 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.088 7.188 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.556 4.788 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.983 6.427 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.010 5.546 -1.118 1.00 0.00 H new ATOM 840 N THR A 52 -7.794 8.993 -1.352 1.00 0.00 N ATOM 841 CA THR A 52 -8.583 9.519 -0.226 1.00 0.00 C ATOM 842 C THR A 52 -8.878 8.377 0.783 1.00 0.00 C ATOM 843 O THR A 52 -8.561 7.204 0.512 1.00 0.00 O ATOM 844 CB THR A 52 -9.899 10.197 -0.758 1.00 0.00 C ATOM 845 OG1 THR A 52 -10.595 10.860 0.306 1.00 0.00 O ATOM 846 CG2 THR A 52 -10.848 9.192 -1.430 1.00 0.00 C ATOM 0 H THR A 52 -8.362 8.564 -2.083 1.00 0.00 H new ATOM 0 HA THR A 52 -8.014 10.286 0.299 1.00 0.00 H new ATOM 0 HB THR A 52 -9.588 10.924 -1.509 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.409 11.277 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.740 9.712 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.344 8.726 -2.277 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.133 8.424 -0.711 1.00 0.00 H new ATOM 854 N SER A 53 -9.480 8.726 1.933 1.00 0.00 N ATOM 855 CA SER A 53 -9.791 7.765 3.020 1.00 0.00 C ATOM 856 C SER A 53 -10.818 6.705 2.560 1.00 0.00 C ATOM 857 O SER A 53 -10.805 5.565 3.038 1.00 0.00 O ATOM 858 CB SER A 53 -10.320 8.518 4.265 1.00 0.00 C ATOM 859 OG SER A 53 -10.542 7.647 5.363 1.00 0.00 O ATOM 0 H SER A 53 -9.767 9.682 2.141 1.00 0.00 H new ATOM 0 HA SER A 53 -8.869 7.246 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.605 9.288 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.251 9.026 4.012 1.00 0.00 H new ATOM 0 HG SER A 53 -10.874 8.163 6.128 1.00 0.00 H new ATOM 865 N LEU A 54 -11.699 7.105 1.619 1.00 0.00 N ATOM 866 CA LEU A 54 -12.694 6.207 0.992 1.00 0.00 C ATOM 867 C LEU A 54 -11.993 5.023 0.297 1.00 0.00 C ATOM 868 O LEU A 54 -12.473 3.900 0.347 1.00 0.00 O ATOM 869 CB LEU A 54 -13.564 6.996 -0.033 1.00 0.00 C ATOM 870 CG LEU A 54 -14.663 6.185 -0.808 1.00 0.00 C ATOM 871 CD1 LEU A 54 -15.666 5.502 0.152 1.00 0.00 C ATOM 872 CD2 LEU A 54 -15.391 7.083 -1.840 1.00 0.00 C ATOM 0 H LEU A 54 -11.741 8.063 1.271 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.344 5.813 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.056 7.812 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.897 7.449 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.155 5.389 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.408 4.953 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.132 4.812 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.166 6.260 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.147 6.497 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.870 7.915 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.669 7.469 -2.560 1.00 0.00 H new ATOM 884 N HIS A 55 -10.828 5.299 -0.309 1.00 0.00 N ATOM 885 CA HIS A 55 -10.033 4.291 -1.042 1.00 0.00 C ATOM 886 C HIS A 55 -9.436 3.243 -0.084 1.00 0.00 C ATOM 887 O HIS A 55 -9.361 2.060 -0.419 1.00 0.00 O ATOM 888 CB HIS A 55 -8.915 4.982 -1.871 1.00 0.00 C ATOM 889 CG HIS A 55 -9.417 5.861 -2.976 1.00 0.00 C ATOM 890 ND1 HIS A 55 -8.577 6.521 -3.841 1.00 0.00 N ATOM 891 CD2 HIS A 55 -10.677 6.186 -3.360 1.00 0.00 C ATOM 892 CE1 HIS A 55 -9.296 7.212 -4.699 1.00 0.00 C ATOM 893 NE2 HIS A 55 -10.569 7.027 -4.430 1.00 0.00 N ATOM 0 H HIS A 55 -10.407 6.228 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.700 3.768 -1.727 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.298 5.580 -1.200 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.270 4.215 -2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.594 5.843 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.905 7.830 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.349 7.444 -4.938 1.00 0.00 H new ATOM 902 N MET A 56 -9.041 3.691 1.119 1.00 0.00 N ATOM 903 CA MET A 56 -8.490 2.798 2.163 1.00 0.00 C ATOM 904 C MET A 56 -9.615 1.972 2.805 1.00 0.00 C ATOM 905 O MET A 56 -9.401 0.821 3.193 1.00 0.00 O ATOM 906 CB MET A 56 -7.722 3.614 3.225 1.00 0.00 C ATOM 907 CG MET A 56 -6.557 4.409 2.636 1.00 0.00 C ATOM 908 SD MET A 56 -5.422 3.351 1.707 1.00 0.00 S ATOM 909 CE MET A 56 -4.342 4.565 0.962 1.00 0.00 C ATOM 0 H MET A 56 -9.092 4.671 1.398 1.00 0.00 H new ATOM 0 HA MET A 56 -7.785 2.108 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.411 4.300 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.343 2.938 3.992 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.944 5.190 1.981 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.014 4.907 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.600 4.061 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.929 5.244 0.343 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.838 5.132 1.744 1.00 0.00 H new ATOM 919 N GLN A 57 -10.811 2.583 2.891 1.00 0.00 N ATOM 920 CA GLN A 57 -12.029 1.931 3.404 1.00 0.00 C ATOM 921 C GLN A 57 -12.457 0.781 2.477 1.00 0.00 C ATOM 922 O GLN A 57 -12.661 -0.348 2.936 1.00 0.00 O ATOM 923 CB GLN A 57 -13.181 2.964 3.529 1.00 0.00 C ATOM 924 CG GLN A 57 -14.516 2.395 4.052 1.00 0.00 C ATOM 925 CD GLN A 57 -14.415 1.806 5.460 1.00 0.00 C ATOM 926 OE1 GLN A 57 -14.593 2.511 6.448 1.00 0.00 O ATOM 927 NE2 GLN A 57 -14.128 0.508 5.560 1.00 0.00 N ATOM 0 H GLN A 57 -10.960 3.550 2.604 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.809 1.523 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.859 3.765 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.354 3.413 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.265 3.187 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.866 1.623 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.986 -0.049 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.050 0.072 6.479 1.00 0.00 H new ATOM 936 N ASN A 58 -12.562 1.098 1.167 1.00 0.00 N ATOM 937 CA ASN A 58 -12.959 0.139 0.111 1.00 0.00 C ATOM 938 C ASN A 58 -11.955 -1.019 0.043 1.00 0.00 C ATOM 939 O ASN A 58 -12.325 -2.154 -0.257 1.00 0.00 O ATOM 940 CB ASN A 58 -13.039 0.831 -1.284 1.00 0.00 C ATOM 941 CG ASN A 58 -14.056 1.967 -1.375 1.00 0.00 C ATOM 942 OD1 ASN A 58 -15.055 1.993 -0.661 1.00 0.00 O ATOM 943 ND2 ASN A 58 -13.816 2.913 -2.270 1.00 0.00 N ATOM 0 H ASN A 58 -12.372 2.034 0.810 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.947 -0.243 0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.054 1.222 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.286 0.079 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.469 3.689 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.978 2.866 -2.850 1.00 0.00 H new ATOM 950 N TYR A 59 -10.678 -0.703 0.341 1.00 0.00 N ATOM 951 CA TYR A 59 -9.592 -1.687 0.358 1.00 0.00 C ATOM 952 C TYR A 59 -9.803 -2.692 1.515 1.00 0.00 C ATOM 953 O TYR A 59 -9.787 -3.893 1.286 1.00 0.00 O ATOM 954 CB TYR A 59 -8.216 -0.978 0.473 1.00 0.00 C ATOM 955 CG TYR A 59 -7.026 -1.939 0.369 1.00 0.00 C ATOM 956 CD1 TYR A 59 -6.621 -2.450 -0.871 1.00 0.00 C ATOM 957 CD2 TYR A 59 -6.326 -2.355 1.504 1.00 0.00 C ATOM 958 CE1 TYR A 59 -5.568 -3.337 -0.965 1.00 0.00 C ATOM 959 CE2 TYR A 59 -5.280 -3.245 1.410 1.00 0.00 C ATOM 960 CZ TYR A 59 -4.900 -3.726 0.179 1.00 0.00 C ATOM 961 OH TYR A 59 -3.866 -4.620 0.095 1.00 0.00 O ATOM 0 H TYR A 59 -10.377 0.243 0.576 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.603 -2.241 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.136 -0.226 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.166 -0.451 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.141 -2.145 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.611 -1.971 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.268 -3.725 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.759 -3.565 2.301 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.017 -4.152 0.237 1.00 0.00 H new ATOM 971 N VAL A 60 -10.045 -2.176 2.741 1.00 0.00 N ATOM 972 CA VAL A 60 -10.238 -3.012 3.963 1.00 0.00 C ATOM 973 C VAL A 60 -11.506 -3.891 3.850 1.00 0.00 C ATOM 974 O VAL A 60 -11.513 -5.055 4.286 1.00 0.00 O ATOM 975 CB VAL A 60 -10.283 -2.116 5.262 1.00 0.00 C ATOM 976 CG1 VAL A 60 -10.656 -2.923 6.542 1.00 0.00 C ATOM 977 CG2 VAL A 60 -8.925 -1.397 5.461 1.00 0.00 C ATOM 0 H VAL A 60 -10.113 -1.174 2.918 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.380 -3.679 4.045 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.072 -1.379 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.671 -2.254 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.641 -3.373 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.917 -3.708 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.967 -0.782 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.133 -2.138 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.718 -0.764 4.598 1.00 0.00 H new ATOM 987 N ASN A 61 -12.554 -3.332 3.228 1.00 0.00 N ATOM 988 CA ASN A 61 -13.817 -4.056 2.963 1.00 0.00 C ATOM 989 C ASN A 61 -13.570 -5.199 1.965 1.00 0.00 C ATOM 990 O ASN A 61 -14.124 -6.287 2.111 1.00 0.00 O ATOM 991 CB ASN A 61 -14.913 -3.088 2.435 1.00 0.00 C ATOM 992 CG ASN A 61 -15.356 -2.046 3.467 1.00 0.00 C ATOM 993 OD1 ASN A 61 -15.351 -2.299 4.673 1.00 0.00 O ATOM 994 ND2 ASN A 61 -15.745 -0.865 3.002 1.00 0.00 N ATOM 0 H ASN A 61 -12.556 -2.368 2.893 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.175 -4.482 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.537 -2.574 1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.780 -3.670 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.051 -0.138 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.738 -0.685 1.998 1.00 0.00 H new ATOM 1001 N SER A 62 -12.692 -4.935 0.979 1.00 0.00 N ATOM 1002 CA SER A 62 -12.275 -5.924 -0.026 1.00 0.00 C ATOM 1003 C SER A 62 -11.526 -7.105 0.626 1.00 0.00 C ATOM 1004 O SER A 62 -11.718 -8.240 0.217 1.00 0.00 O ATOM 1005 CB SER A 62 -11.389 -5.244 -1.099 1.00 0.00 C ATOM 1006 OG SER A 62 -10.949 -6.160 -2.092 1.00 0.00 O ATOM 0 H SER A 62 -12.251 -4.023 0.859 1.00 0.00 H new ATOM 0 HA SER A 62 -13.169 -6.324 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.950 -4.439 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.523 -4.789 -0.618 1.00 0.00 H new ATOM 0 HG SER A 62 -10.695 -5.668 -2.901 1.00 0.00 H new ATOM 1012 N LEU A 63 -10.701 -6.814 1.662 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.855 -7.832 2.356 1.00 0.00 C ATOM 1014 C LEU A 63 -10.724 -8.875 3.071 1.00 0.00 C ATOM 1015 O LEU A 63 -10.373 -10.062 3.144 1.00 0.00 O ATOM 1016 CB LEU A 63 -8.904 -7.156 3.384 1.00 0.00 C ATOM 1017 CG LEU A 63 -8.093 -5.944 2.851 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -7.122 -5.398 3.913 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -7.397 -6.264 1.505 1.00 0.00 C ATOM 0 H LEU A 63 -10.599 -5.873 2.043 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.257 -8.333 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.496 -6.827 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.203 -7.906 3.752 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.801 -5.142 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.573 -4.551 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.685 -5.076 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.420 -6.181 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.840 -5.390 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.712 -7.101 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.148 -6.526 0.760 1.00 0.00 H new ATOM 1031 N ARG A 64 -11.854 -8.386 3.594 1.00 0.00 N ATOM 1032 CA ARG A 64 -12.903 -9.205 4.212 1.00 0.00 C ATOM 1033 C ARG A 64 -13.491 -10.189 3.178 1.00 0.00 C ATOM 1034 O ARG A 64 -13.601 -11.389 3.444 1.00 0.00 O ATOM 1035 CB ARG A 64 -14.008 -8.263 4.737 1.00 0.00 C ATOM 1036 CG ARG A 64 -15.281 -8.962 5.264 1.00 0.00 C ATOM 1037 CD ARG A 64 -16.460 -7.988 5.367 1.00 0.00 C ATOM 1038 NE ARG A 64 -16.704 -7.334 4.060 1.00 0.00 N ATOM 1039 CZ ARG A 64 -17.340 -6.177 3.873 1.00 0.00 C ATOM 1040 NH1 ARG A 64 -17.924 -5.545 4.875 1.00 0.00 N ATOM 1041 NH2 ARG A 64 -17.392 -5.666 2.658 1.00 0.00 N ATOM 0 H ARG A 64 -12.069 -7.389 3.600 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.485 -9.786 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.591 -7.653 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.293 -7.583 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.546 -9.785 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.080 -9.395 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.355 -8.522 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -16.252 -7.233 6.125 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.354 -7.811 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.894 -5.941 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.405 -4.661 4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.950 -6.155 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.874 -4.782 2.497 1.00 0.00 H new ATOM 1055 N ASP A 65 -13.852 -9.651 1.996 1.00 0.00 N ATOM 1056 CA ASP A 65 -14.435 -10.437 0.885 1.00 0.00 C ATOM 1057 C ASP A 65 -13.401 -11.401 0.262 1.00 0.00 C ATOM 1058 O ASP A 65 -13.773 -12.448 -0.277 1.00 0.00 O ATOM 1059 CB ASP A 65 -15.020 -9.489 -0.197 1.00 0.00 C ATOM 1060 CG ASP A 65 -16.307 -8.774 0.258 1.00 0.00 C ATOM 1061 OD1 ASP A 65 -16.223 -7.722 0.918 1.00 0.00 O ATOM 1062 OD2 ASP A 65 -17.416 -9.277 -0.030 1.00 0.00 O ATOM 0 H ASP A 65 -13.748 -8.659 1.782 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.241 -11.045 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.271 -8.743 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.230 -10.063 -1.099 1.00 0.00 H new ATOM 1067 N GLU A 66 -12.107 -11.029 0.331 1.00 0.00 N ATOM 1068 CA GLU A 66 -10.985 -11.895 -0.090 1.00 0.00 C ATOM 1069 C GLU A 66 -10.799 -13.042 0.916 1.00 0.00 C ATOM 1070 O GLU A 66 -10.277 -14.103 0.566 1.00 0.00 O ATOM 1071 CB GLU A 66 -9.667 -11.071 -0.188 1.00 0.00 C ATOM 1072 CG GLU A 66 -9.623 -10.003 -1.301 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.644 -10.590 -2.721 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.702 -11.333 -3.074 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.578 -10.296 -3.499 1.00 0.00 O ATOM 0 H GLU A 66 -11.809 -10.118 0.681 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.218 -12.308 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.497 -10.578 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.839 -11.763 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.474 -9.332 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.722 -9.401 -1.179 1.00 0.00 H new ATOM 1082 N GLY A 67 -11.243 -12.805 2.164 1.00 0.00 N ATOM 1083 CA GLY A 67 -11.071 -13.754 3.252 1.00 0.00 C ATOM 1084 C GLY A 67 -9.633 -13.825 3.746 1.00 0.00 C ATOM 1085 O GLY A 67 -9.185 -14.880 4.212 1.00 0.00 O ATOM 0 H GLY A 67 -11.728 -11.950 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.722 -13.474 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.386 -14.743 2.920 1.00 0.00 H new ATOM 1089 N LEU A 68 -8.903 -12.699 3.619 1.00 0.00 N ATOM 1090 CA LEU A 68 -7.512 -12.582 4.096 1.00 0.00 C ATOM 1091 C LEU A 68 -7.470 -12.623 5.627 1.00 0.00 C ATOM 1092 O LEU A 68 -8.351 -12.070 6.295 1.00 0.00 O ATOM 1093 CB LEU A 68 -6.851 -11.280 3.573 1.00 0.00 C ATOM 1094 CG LEU A 68 -6.709 -11.177 2.023 1.00 0.00 C ATOM 1095 CD1 LEU A 68 -6.095 -9.831 1.607 1.00 0.00 C ATOM 1096 CD2 LEU A 68 -5.894 -12.363 1.455 1.00 0.00 C ATOM 0 H LEU A 68 -9.260 -11.848 3.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.947 -13.428 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.435 -10.430 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.860 -11.192 4.018 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.711 -11.229 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.009 -9.790 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.734 -9.018 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.106 -9.729 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.812 -12.263 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.897 -12.364 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.398 -13.299 1.696 1.00 0.00 H new ATOM 1108 N LYS A 69 -6.436 -13.279 6.163 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.281 -13.513 7.604 1.00 0.00 C ATOM 1110 C LYS A 69 -5.645 -12.289 8.281 1.00 0.00 C ATOM 1111 O LYS A 69 -5.089 -11.429 7.598 1.00 0.00 O ATOM 1112 CB LYS A 69 -5.441 -14.792 7.824 1.00 0.00 C ATOM 1113 CG LYS A 69 -3.936 -14.677 7.469 1.00 0.00 C ATOM 1114 CD LYS A 69 -3.261 -16.050 7.229 1.00 0.00 C ATOM 1115 CE LYS A 69 -3.580 -17.089 8.320 1.00 0.00 C ATOM 1116 NZ LYS A 69 -3.141 -16.651 9.670 1.00 0.00 N ATOM 0 H LYS A 69 -5.676 -13.666 5.604 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.259 -13.661 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.527 -15.086 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.875 -15.596 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.826 -14.064 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.417 -14.160 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.581 -16.439 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.181 -15.911 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.653 -17.278 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.094 -18.032 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.379 -17.385 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.113 -16.496 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.624 -15.765 9.922 1.00 0.00 H new ATOM 1130 N ARG A 70 -5.713 -12.264 9.624 1.00 0.00 N ATOM 1131 CA ARG A 70 -5.289 -11.123 10.479 1.00 0.00 C ATOM 1132 C ARG A 70 -3.899 -10.554 10.101 1.00 0.00 C ATOM 1133 O ARG A 70 -3.737 -9.336 9.964 1.00 0.00 O ATOM 1134 CB ARG A 70 -5.309 -11.565 11.967 1.00 0.00 C ATOM 1135 CG ARG A 70 -4.389 -12.763 12.293 1.00 0.00 C ATOM 1136 CD ARG A 70 -4.473 -13.236 13.747 1.00 0.00 C ATOM 1137 NE ARG A 70 -3.549 -14.358 14.003 1.00 0.00 N ATOM 1138 CZ ARG A 70 -3.591 -15.167 15.068 1.00 0.00 C ATOM 1139 NH1 ARG A 70 -4.495 -15.005 16.023 1.00 0.00 N ATOM 1140 NH2 ARG A 70 -2.733 -16.156 15.169 1.00 0.00 N ATOM 0 H ARG A 70 -6.071 -13.051 10.165 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.999 -10.313 10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.016 -10.719 12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.332 -11.823 12.242 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.646 -13.594 11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.358 -12.487 12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.236 -12.408 14.415 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.494 -13.545 13.972 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.819 -14.531 13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.179 -14.251 15.956 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.507 -15.634 16.826 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.038 -16.305 14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.761 -16.775 15.979 1.00 0.00 H new ATOM 1154 N GLY A 71 -2.920 -11.456 9.896 1.00 0.00 N ATOM 1155 CA GLY A 71 -1.575 -11.063 9.520 1.00 0.00 C ATOM 1156 C GLY A 71 -1.509 -10.430 8.149 1.00 0.00 C ATOM 1157 O GLY A 71 -0.958 -9.348 8.008 1.00 0.00 O ATOM 0 H GLY A 71 -3.050 -12.463 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.187 -10.361 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.926 -11.939 9.542 1.00 0.00 H new ATOM 1161 N THR A 72 -2.107 -11.096 7.144 1.00 0.00 N ATOM 1162 CA THR A 72 -2.114 -10.610 5.751 1.00 0.00 C ATOM 1163 C THR A 72 -2.759 -9.213 5.661 1.00 0.00 C ATOM 1164 O THR A 72 -2.180 -8.311 5.055 1.00 0.00 O ATOM 1165 CB THR A 72 -2.854 -11.603 4.798 1.00 0.00 C ATOM 1166 OG1 THR A 72 -2.317 -12.927 4.958 1.00 0.00 O ATOM 1167 CG2 THR A 72 -2.742 -11.187 3.316 1.00 0.00 C ATOM 0 H THR A 72 -2.597 -11.981 7.273 1.00 0.00 H new ATOM 0 HA THR A 72 -1.075 -10.541 5.428 1.00 0.00 H new ATOM 0 HB THR A 72 -3.909 -11.585 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.786 -13.545 4.359 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.272 -11.909 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.182 -10.199 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.692 -11.159 3.024 1.00 0.00 H new ATOM 1175 N ILE A 73 -3.923 -9.047 6.335 1.00 0.00 N ATOM 1176 CA ILE A 73 -4.652 -7.765 6.403 1.00 0.00 C ATOM 1177 C ILE A 73 -3.726 -6.651 6.918 1.00 0.00 C ATOM 1178 O ILE A 73 -3.582 -5.625 6.267 1.00 0.00 O ATOM 1179 CB ILE A 73 -5.937 -7.844 7.325 1.00 0.00 C ATOM 1180 CG1 ILE A 73 -6.967 -8.877 6.768 1.00 0.00 C ATOM 1181 CG2 ILE A 73 -6.601 -6.446 7.513 1.00 0.00 C ATOM 1182 CD1 ILE A 73 -8.216 -9.067 7.630 1.00 0.00 C ATOM 0 H ILE A 73 -4.380 -9.802 6.846 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.983 -7.540 5.389 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.608 -8.186 8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.275 -8.560 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.470 -9.841 6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.479 -6.543 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.888 -5.764 7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.901 -6.052 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.872 -9.802 7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.925 -9.417 8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.743 -8.117 7.722 1.00 0.00 H new ATOM 1194 N GLU A 74 -3.057 -6.899 8.057 1.00 0.00 N ATOM 1195 CA GLU A 74 -2.202 -5.885 8.688 1.00 0.00 C ATOM 1196 C GLU A 74 -0.966 -5.577 7.820 1.00 0.00 C ATOM 1197 O GLU A 74 -0.630 -4.415 7.641 1.00 0.00 O ATOM 1198 CB GLU A 74 -1.745 -6.301 10.108 1.00 0.00 C ATOM 1199 CG GLU A 74 -1.045 -5.155 10.869 1.00 0.00 C ATOM 1200 CD GLU A 74 -0.512 -5.552 12.253 1.00 0.00 C ATOM 1201 OE1 GLU A 74 -1.288 -5.520 13.239 1.00 0.00 O ATOM 1202 OE2 GLU A 74 0.697 -5.842 12.371 1.00 0.00 O ATOM 0 H GLU A 74 -3.093 -7.788 8.555 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.812 -4.986 8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.610 -6.636 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.065 -7.150 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.216 -4.786 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.747 -4.329 10.986 1.00 0.00 H new ATOM 1209 N LYS A 75 -0.337 -6.625 7.248 1.00 0.00 N ATOM 1210 CA LYS A 75 0.948 -6.495 6.522 1.00 0.00 C ATOM 1211 C LYS A 75 0.782 -5.684 5.232 1.00 0.00 C ATOM 1212 O LYS A 75 1.630 -4.856 4.917 1.00 0.00 O ATOM 1213 CB LYS A 75 1.560 -7.879 6.176 1.00 0.00 C ATOM 1214 CG LYS A 75 2.045 -8.719 7.384 1.00 0.00 C ATOM 1215 CD LYS A 75 2.718 -10.042 6.936 1.00 0.00 C ATOM 1216 CE LYS A 75 1.798 -10.926 6.065 1.00 0.00 C ATOM 1217 NZ LYS A 75 2.543 -12.006 5.384 1.00 0.00 N ATOM 0 H LYS A 75 -0.700 -7.578 7.275 1.00 0.00 H new ATOM 0 HA LYS A 75 1.627 -5.969 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.816 -8.458 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.403 -7.725 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.751 -8.134 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.199 -8.944 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.624 -9.810 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.023 -10.604 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.019 -11.363 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.299 -10.305 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.066 -12.247 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.512 -11.686 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.575 -12.845 5.997 1.00 0.00 H new ATOM 1231 N ILE A 76 -0.317 -5.931 4.501 1.00 0.00 N ATOM 1232 CA ILE A 76 -0.591 -5.238 3.227 1.00 0.00 C ATOM 1233 C ILE A 76 -0.947 -3.765 3.488 1.00 0.00 C ATOM 1234 O ILE A 76 -0.587 -2.889 2.700 1.00 0.00 O ATOM 1235 CB ILE A 76 -1.716 -5.964 2.397 1.00 0.00 C ATOM 1236 CG1 ILE A 76 -3.091 -5.940 3.131 1.00 0.00 C ATOM 1237 CG2 ILE A 76 -1.302 -7.415 2.087 1.00 0.00 C ATOM 1238 CD1 ILE A 76 -4.134 -6.869 2.546 1.00 0.00 C ATOM 0 H ILE A 76 -1.033 -6.606 4.769 1.00 0.00 H new ATOM 0 HA ILE A 76 0.316 -5.271 2.623 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.834 -5.417 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.934 -6.204 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.480 -4.922 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.090 -7.903 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.378 -7.414 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.145 -7.956 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.057 -6.786 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.325 -6.594 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.771 -7.896 2.589 1.00 0.00 H new ATOM 1250 N ILE A 77 -1.627 -3.515 4.629 1.00 0.00 N ATOM 1251 CA ILE A 77 -1.873 -2.159 5.140 1.00 0.00 C ATOM 1252 C ILE A 77 -0.528 -1.488 5.503 1.00 0.00 C ATOM 1253 O ILE A 77 -0.325 -0.326 5.188 1.00 0.00 O ATOM 1254 CB ILE A 77 -2.844 -2.177 6.388 1.00 0.00 C ATOM 1255 CG1 ILE A 77 -4.276 -2.670 5.990 1.00 0.00 C ATOM 1256 CG2 ILE A 77 -2.917 -0.803 7.098 1.00 0.00 C ATOM 1257 CD1 ILE A 77 -4.991 -1.825 4.954 1.00 0.00 C ATOM 0 H ILE A 77 -2.018 -4.251 5.217 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.363 -1.580 4.357 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.421 -2.887 7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.199 -3.689 5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.891 -2.709 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.597 -0.868 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.924 -0.521 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.282 -0.051 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.973 -2.253 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.109 -0.809 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.406 -1.805 4.034 1.00 0.00 H new ATOM 1269 N LYS A 78 0.399 -2.267 6.114 1.00 0.00 N ATOM 1270 CA LYS A 78 1.751 -1.779 6.492 1.00 0.00 C ATOM 1271 C LYS A 78 2.533 -1.336 5.250 1.00 0.00 C ATOM 1272 O LYS A 78 3.207 -0.329 5.300 1.00 0.00 O ATOM 1273 CB LYS A 78 2.585 -2.856 7.246 1.00 0.00 C ATOM 1274 CG LYS A 78 2.100 -3.206 8.664 1.00 0.00 C ATOM 1275 CD LYS A 78 2.186 -2.021 9.651 1.00 0.00 C ATOM 1276 CE LYS A 78 1.796 -2.436 11.074 1.00 0.00 C ATOM 1277 NZ LYS A 78 1.913 -1.315 12.025 1.00 0.00 N ATOM 0 H LYS A 78 0.234 -3.244 6.357 1.00 0.00 H new ATOM 0 HA LYS A 78 1.594 -0.934 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.591 -3.768 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.617 -2.510 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.068 -3.552 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.695 -4.034 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.201 -1.623 9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.530 -1.219 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.772 -2.808 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.434 -3.257 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.640 -1.636 12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.896 -0.976 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.285 -0.541 11.728 1.00 0.00 H new ATOM 1291 N VAL A 79 2.418 -2.106 4.150 1.00 0.00 N ATOM 1292 CA VAL A 79 3.117 -1.817 2.880 1.00 0.00 C ATOM 1293 C VAL A 79 2.614 -0.482 2.280 1.00 0.00 C ATOM 1294 O VAL A 79 3.419 0.357 1.851 1.00 0.00 O ATOM 1295 CB VAL A 79 2.947 -2.996 1.845 1.00 0.00 C ATOM 1296 CG1 VAL A 79 3.633 -2.675 0.500 1.00 0.00 C ATOM 1297 CG2 VAL A 79 3.492 -4.328 2.418 1.00 0.00 C ATOM 0 H VAL A 79 1.839 -2.945 4.116 1.00 0.00 H new ATOM 0 HA VAL A 79 4.181 -1.723 3.097 1.00 0.00 H new ATOM 0 HB VAL A 79 1.878 -3.109 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.495 -3.510 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.191 -1.775 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.698 -2.513 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.361 -5.121 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.552 -4.218 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.947 -4.583 3.327 1.00 0.00 H new ATOM 1307 N ILE A 80 1.275 -0.290 2.307 1.00 0.00 N ATOM 1308 CA ILE A 80 0.619 0.957 1.849 1.00 0.00 C ATOM 1309 C ILE A 80 1.088 2.147 2.699 1.00 0.00 C ATOM 1310 O ILE A 80 1.464 3.191 2.169 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.953 0.860 1.930 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -1.487 -0.313 1.064 1.00 0.00 C ATOM 1313 CG2 ILE A 80 -1.630 2.196 1.512 1.00 0.00 C ATOM 1314 CD1 ILE A 80 -2.975 -0.577 1.210 1.00 0.00 C ATOM 0 H ILE A 80 0.620 -0.994 2.646 1.00 0.00 H new ATOM 0 HA ILE A 80 0.903 1.103 0.807 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.211 0.664 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.269 -0.103 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.942 -1.220 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.713 2.092 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.300 2.995 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.353 2.439 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.261 -1.412 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.201 -0.821 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.533 0.312 0.917 1.00 0.00 H new ATOM 1326 N ARG A 81 1.075 1.951 4.026 1.00 0.00 N ATOM 1327 CA ARG A 81 1.490 2.973 4.990 1.00 0.00 C ATOM 1328 C ARG A 81 2.957 3.353 4.772 1.00 0.00 C ATOM 1329 O ARG A 81 3.249 4.514 4.662 1.00 0.00 O ATOM 1330 CB ARG A 81 1.257 2.499 6.447 1.00 0.00 C ATOM 1331 CG ARG A 81 -0.231 2.334 6.814 1.00 0.00 C ATOM 1332 CD ARG A 81 -0.447 1.834 8.250 1.00 0.00 C ATOM 1333 NE ARG A 81 0.028 2.806 9.256 1.00 0.00 N ATOM 1334 CZ ARG A 81 -0.603 3.117 10.394 1.00 0.00 C ATOM 1335 NH1 ARG A 81 -1.799 2.610 10.664 1.00 0.00 N ATOM 1336 NH2 ARG A 81 -0.046 3.963 11.248 1.00 0.00 N ATOM 0 H ARG A 81 0.775 1.077 4.458 1.00 0.00 H new ATOM 0 HA ARG A 81 0.875 3.858 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.767 1.547 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.713 3.215 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.738 3.291 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.695 1.634 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.507 1.638 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.076 0.888 8.386 1.00 0.00 H new ATOM 0 HE ARG A 81 0.911 3.280 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.246 1.977 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.271 2.854 11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.862 4.376 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.526 4.201 12.116 1.00 0.00 H new ATOM 1350 N ASN A 82 3.835 2.345 4.631 1.00 0.00 N ATOM 1351 CA ASN A 82 5.305 2.519 4.480 1.00 0.00 C ATOM 1352 C ASN A 82 5.652 3.312 3.211 1.00 0.00 C ATOM 1353 O ASN A 82 6.575 4.136 3.225 1.00 0.00 O ATOM 1354 CB ASN A 82 6.030 1.136 4.470 1.00 0.00 C ATOM 1355 CG ASN A 82 6.098 0.461 5.844 1.00 0.00 C ATOM 1356 OD1 ASN A 82 6.199 1.123 6.876 1.00 0.00 O ATOM 1357 ND2 ASN A 82 6.045 -0.864 5.862 1.00 0.00 N ATOM 0 H ASN A 82 3.546 1.367 4.618 1.00 0.00 H new ATOM 0 HA ASN A 82 5.655 3.091 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.516 0.472 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.043 1.271 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.088 -1.364 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.961 -1.383 4.988 1.00 0.00 H new ATOM 1364 N SER A 83 4.904 3.062 2.123 1.00 0.00 N ATOM 1365 CA SER A 83 5.064 3.818 0.873 1.00 0.00 C ATOM 1366 C SER A 83 4.561 5.265 1.048 1.00 0.00 C ATOM 1367 O SER A 83 5.217 6.199 0.608 1.00 0.00 O ATOM 1368 CB SER A 83 4.376 3.085 -0.309 1.00 0.00 C ATOM 1369 OG SER A 83 3.080 2.636 0.031 1.00 0.00 O ATOM 0 H SER A 83 4.183 2.342 2.086 1.00 0.00 H new ATOM 0 HA SER A 83 6.125 3.876 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.314 3.756 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.986 2.235 -0.613 1.00 0.00 H new ATOM 0 HG SER A 83 2.779 3.091 0.845 1.00 0.00 H new ATOM 1375 N LEU A 84 3.430 5.440 1.754 1.00 0.00 N ATOM 1376 CA LEU A 84 2.864 6.780 2.026 1.00 0.00 C ATOM 1377 C LEU A 84 3.735 7.575 3.036 1.00 0.00 C ATOM 1378 O LEU A 84 3.742 8.802 3.001 1.00 0.00 O ATOM 1379 CB LEU A 84 1.400 6.673 2.517 1.00 0.00 C ATOM 1380 CG LEU A 84 0.359 6.083 1.514 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -1.050 6.043 2.137 1.00 0.00 C ATOM 1382 CD2 LEU A 84 0.354 6.849 0.176 1.00 0.00 C ATOM 0 H LEU A 84 2.887 4.672 2.148 1.00 0.00 H new ATOM 0 HA LEU A 84 2.867 7.334 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.388 6.059 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.066 7.669 2.806 1.00 0.00 H new ATOM 0 HG LEU A 84 0.662 5.058 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.755 5.628 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.035 5.419 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.358 7.054 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.384 6.407 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.101 7.894 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.341 6.789 -0.282 1.00 0.00 H new ATOM 1394 N GLU A 85 4.476 6.857 3.914 1.00 0.00 N ATOM 1395 CA GLU A 85 5.461 7.450 4.857 1.00 0.00 C ATOM 1396 C GLU A 85 6.601 8.064 4.052 1.00 0.00 C ATOM 1397 O GLU A 85 7.015 9.204 4.279 1.00 0.00 O ATOM 1398 CB GLU A 85 6.042 6.359 5.814 1.00 0.00 C ATOM 1399 CG GLU A 85 5.039 5.736 6.812 1.00 0.00 C ATOM 1400 CD GLU A 85 4.618 6.694 7.932 1.00 0.00 C ATOM 1401 OE1 GLU A 85 3.725 7.528 7.702 1.00 0.00 O ATOM 1402 OE2 GLU A 85 5.189 6.627 9.045 1.00 0.00 O ATOM 0 H GLU A 85 4.408 5.842 3.990 1.00 0.00 H new ATOM 0 HA GLU A 85 4.961 8.209 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.466 5.559 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.863 6.799 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.151 5.412 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.485 4.845 7.255 1.00 0.00 H new ATOM 1409 N HIS A 86 7.064 7.273 3.076 1.00 0.00 N ATOM 1410 CA HIS A 86 8.146 7.654 2.168 1.00 0.00 C ATOM 1411 C HIS A 86 7.669 8.737 1.185 1.00 0.00 C ATOM 1412 O HIS A 86 8.472 9.507 0.680 1.00 0.00 O ATOM 1413 CB HIS A 86 8.678 6.402 1.429 1.00 0.00 C ATOM 1414 CG HIS A 86 9.869 6.652 0.540 1.00 0.00 C ATOM 1415 ND1 HIS A 86 11.057 7.170 1.006 1.00 0.00 N ATOM 1416 CD2 HIS A 86 10.046 6.459 -0.788 1.00 0.00 C ATOM 1417 CE1 HIS A 86 11.912 7.274 0.010 1.00 0.00 C ATOM 1418 NE2 HIS A 86 11.323 6.851 -1.088 1.00 0.00 N ATOM 0 H HIS A 86 6.692 6.341 2.895 1.00 0.00 H new ATOM 0 HA HIS A 86 8.968 8.079 2.745 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.946 5.647 2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.873 5.984 0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.316 6.069 -1.482 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.924 7.644 0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 86 11.749 6.820 -2.014 1.00 0.00 H new ATOM 1427 N ALA A 87 6.351 8.787 0.928 1.00 0.00 N ATOM 1428 CA ALA A 87 5.742 9.816 0.062 1.00 0.00 C ATOM 1429 C ALA A 87 5.695 11.178 0.778 1.00 0.00 C ATOM 1430 O ALA A 87 5.774 12.217 0.134 1.00 0.00 O ATOM 1431 CB ALA A 87 4.344 9.379 -0.396 1.00 0.00 C ATOM 0 H ALA A 87 5.680 8.121 1.311 1.00 0.00 H new ATOM 0 HA ALA A 87 6.365 9.930 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.912 10.151 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.419 8.447 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.706 9.229 0.475 1.00 0.00 H new ATOM 1437 N ILE A 88 5.558 11.162 2.120 1.00 0.00 N ATOM 1438 CA ILE A 88 5.694 12.384 2.951 1.00 0.00 C ATOM 1439 C ILE A 88 7.180 12.802 3.003 1.00 0.00 C ATOM 1440 O ILE A 88 7.514 13.989 2.941 1.00 0.00 O ATOM 1441 CB ILE A 88 5.142 12.172 4.411 1.00 0.00 C ATOM 1442 CG1 ILE A 88 3.667 11.660 4.385 1.00 0.00 C ATOM 1443 CG2 ILE A 88 5.252 13.475 5.255 1.00 0.00 C ATOM 1444 CD1 ILE A 88 3.144 11.191 5.738 1.00 0.00 C ATOM 0 H ILE A 88 5.353 10.318 2.655 1.00 0.00 H new ATOM 0 HA ILE A 88 5.098 13.172 2.492 1.00 0.00 H new ATOM 0 HB ILE A 88 5.761 11.411 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.023 12.459 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.592 10.837 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.862 13.294 6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.297 13.778 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.674 14.267 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.114 10.852 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.761 10.369 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.183 12.016 6.449 1.00 0.00 H new ATOM 1456 N ASP A 89 8.060 11.789 3.096 1.00 0.00 N ATOM 1457 CA ASP A 89 9.530 11.962 3.052 1.00 0.00 C ATOM 1458 C ASP A 89 9.977 12.634 1.729 1.00 0.00 C ATOM 1459 O ASP A 89 10.837 13.520 1.737 1.00 0.00 O ATOM 1460 CB ASP A 89 10.213 10.581 3.249 1.00 0.00 C ATOM 1461 CG ASP A 89 11.733 10.581 2.990 1.00 0.00 C ATOM 1462 OD1 ASP A 89 12.490 11.137 3.817 1.00 0.00 O ATOM 1463 OD2 ASP A 89 12.174 10.021 1.965 1.00 0.00 O ATOM 0 H ASP A 89 7.772 10.817 3.205 1.00 0.00 H new ATOM 0 HA ASP A 89 9.837 12.626 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.030 10.241 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.743 9.858 2.582 1.00 0.00 H new ATOM 1468 N LEU A 90 9.364 12.218 0.604 1.00 0.00 N ATOM 1469 CA LEU A 90 9.627 12.809 -0.730 1.00 0.00 C ATOM 1470 C LEU A 90 8.759 14.073 -0.962 1.00 0.00 C ATOM 1471 O LEU A 90 8.899 14.732 -1.990 1.00 0.00 O ATOM 1472 CB LEU A 90 9.373 11.769 -1.863 1.00 0.00 C ATOM 1473 CG LEU A 90 10.168 10.420 -1.791 1.00 0.00 C ATOM 1474 CD1 LEU A 90 9.948 9.568 -3.062 1.00 0.00 C ATOM 1475 CD2 LEU A 90 11.671 10.641 -1.508 1.00 0.00 C ATOM 0 H LEU A 90 8.675 11.466 0.590 1.00 0.00 H new ATOM 0 HA LEU A 90 10.677 13.101 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.309 11.533 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.602 12.245 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 90 9.769 9.861 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.513 8.640 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.888 9.339 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.288 10.124 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.179 9.678 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.106 11.247 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.790 11.154 -0.554 1.00 0.00 H new ATOM 1487 N GLU A 91 7.849 14.365 0.004 1.00 0.00 N ATOM 1488 CA GLU A 91 6.961 15.563 0.017 1.00 0.00 C ATOM 1489 C GLU A 91 5.930 15.541 -1.138 1.00 0.00 C ATOM 1490 O GLU A 91 5.391 16.579 -1.537 1.00 0.00 O ATOM 1491 CB GLU A 91 7.786 16.886 0.046 1.00 0.00 C ATOM 1492 CG GLU A 91 8.750 17.001 1.249 1.00 0.00 C ATOM 1493 CD GLU A 91 9.468 18.359 1.322 1.00 0.00 C ATOM 1494 OE1 GLU A 91 10.424 18.578 0.549 1.00 0.00 O ATOM 1495 OE2 GLU A 91 9.066 19.225 2.131 1.00 0.00 O ATOM 0 H GLU A 91 7.707 13.762 0.814 1.00 0.00 H new ATOM 0 HA GLU A 91 6.385 15.524 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.362 16.963 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.098 17.731 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.191 16.843 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.494 16.207 1.187 1.00 0.00 H new ATOM 1502 N LEU A 92 5.652 14.331 -1.634 1.00 0.00 N ATOM 1503 CA LEU A 92 4.618 14.064 -2.645 1.00 0.00 C ATOM 1504 C LEU A 92 3.212 14.283 -2.052 1.00 0.00 C ATOM 1505 O LEU A 92 2.349 14.892 -2.683 1.00 0.00 O ATOM 1506 CB LEU A 92 4.791 12.617 -3.159 1.00 0.00 C ATOM 1507 CG LEU A 92 6.148 12.328 -3.875 1.00 0.00 C ATOM 1508 CD1 LEU A 92 6.334 10.826 -4.163 1.00 0.00 C ATOM 1509 CD2 LEU A 92 6.263 13.165 -5.165 1.00 0.00 C ATOM 0 H LEU A 92 6.149 13.490 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 92 4.727 14.756 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.690 11.934 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.978 12.393 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 92 6.952 12.623 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.290 10.667 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.317 10.271 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.527 10.476 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.214 12.953 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.445 12.910 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.211 14.225 -4.917 1.00 0.00 H new ATOM 1521 N ILE A 93 3.014 13.805 -0.810 1.00 0.00 N ATOM 1522 CA ILE A 93 1.768 14.022 -0.040 1.00 0.00 C ATOM 1523 C ILE A 93 2.127 14.665 1.304 1.00 0.00 C ATOM 1524 O ILE A 93 3.243 14.476 1.812 1.00 0.00 O ATOM 1525 CB ILE A 93 0.929 12.701 0.199 1.00 0.00 C ATOM 1526 CG1 ILE A 93 1.761 11.636 0.983 1.00 0.00 C ATOM 1527 CG2 ILE A 93 0.393 12.133 -1.143 1.00 0.00 C ATOM 1528 CD1 ILE A 93 1.005 10.375 1.360 1.00 0.00 C ATOM 0 H ILE A 93 3.712 13.256 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 93 1.131 14.678 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 93 0.067 12.957 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.624 11.356 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.145 12.096 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.180 11.226 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.249 12.873 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.231 11.901 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.669 9.700 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.158 10.635 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.645 9.883 0.457 1.00 0.00 H new ATOM 1540 N THR A 94 1.184 15.429 1.864 1.00 0.00 N ATOM 1541 CA THR A 94 1.372 16.155 3.127 1.00 0.00 C ATOM 1542 C THR A 94 1.041 15.264 4.339 1.00 0.00 C ATOM 1543 O THR A 94 1.563 15.488 5.439 1.00 0.00 O ATOM 1544 CB THR A 94 0.487 17.446 3.148 1.00 0.00 C ATOM 1545 OG1 THR A 94 -0.883 17.104 2.877 1.00 0.00 O ATOM 1546 CG2 THR A 94 0.971 18.491 2.121 1.00 0.00 C ATOM 0 H THR A 94 0.261 15.563 1.451 1.00 0.00 H new ATOM 0 HA THR A 94 2.421 16.442 3.196 1.00 0.00 H new ATOM 0 HB THR A 94 0.571 17.887 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.432 17.916 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.330 19.371 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.998 18.777 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.928 18.064 1.119 1.00 0.00 H new ATOM 1554 N LYS A 95 0.186 14.245 4.120 1.00 0.00 N ATOM 1555 CA LYS A 95 -0.339 13.393 5.197 1.00 0.00 C ATOM 1556 C LYS A 95 -0.624 11.977 4.659 1.00 0.00 C ATOM 1557 O LYS A 95 -1.158 11.823 3.558 1.00 0.00 O ATOM 1558 CB LYS A 95 -1.626 14.042 5.783 1.00 0.00 C ATOM 1559 CG LYS A 95 -2.256 13.289 6.977 1.00 0.00 C ATOM 1560 CD LYS A 95 -3.468 14.028 7.597 1.00 0.00 C ATOM 1561 CE LYS A 95 -3.095 15.396 8.203 1.00 0.00 C ATOM 1562 NZ LYS A 95 -4.273 16.102 8.767 1.00 0.00 N ATOM 0 H LYS A 95 -0.157 13.993 3.193 1.00 0.00 H new ATOM 0 HA LYS A 95 0.400 13.305 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.390 15.058 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.369 14.119 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.573 12.299 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.497 13.141 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.229 14.172 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.910 13.402 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.350 15.253 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.635 16.018 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.973 17.016 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.974 16.263 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.698 15.522 9.518 1.00 0.00 H new ATOM 1576 N ASN A 96 -0.254 10.960 5.459 1.00 0.00 N ATOM 1577 CA ASN A 96 -0.479 9.538 5.144 1.00 0.00 C ATOM 1578 C ASN A 96 -1.970 9.215 5.363 1.00 0.00 C ATOM 1579 O ASN A 96 -2.442 9.192 6.501 1.00 0.00 O ATOM 1580 CB ASN A 96 0.447 8.663 6.049 1.00 0.00 C ATOM 1581 CG ASN A 96 0.418 7.144 5.786 1.00 0.00 C ATOM 1582 OD1 ASN A 96 -0.594 6.568 5.409 1.00 0.00 O ATOM 1583 ND2 ASN A 96 1.546 6.486 5.981 1.00 0.00 N ATOM 0 H ASN A 96 0.215 11.105 6.353 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.232 9.321 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.473 9.012 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.172 8.836 7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.584 5.480 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.379 6.984 6.295 1.00 0.00 H new ATOM 1590 N VAL A 97 -2.696 8.965 4.260 1.00 0.00 N ATOM 1591 CA VAL A 97 -4.161 8.720 4.280 1.00 0.00 C ATOM 1592 C VAL A 97 -4.513 7.270 4.715 1.00 0.00 C ATOM 1593 O VAL A 97 -5.693 6.910 4.800 1.00 0.00 O ATOM 1594 CB VAL A 97 -4.795 9.045 2.874 1.00 0.00 C ATOM 1595 CG1 VAL A 97 -4.603 10.547 2.512 1.00 0.00 C ATOM 1596 CG2 VAL A 97 -4.218 8.121 1.767 1.00 0.00 C ATOM 0 H VAL A 97 -2.290 8.926 3.325 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.587 9.390 5.026 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.865 8.850 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.049 10.746 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.087 11.168 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.539 10.780 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.676 8.371 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.139 8.262 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.434 7.081 2.012 1.00 0.00 H new ATOM 1606 N ALA A 98 -3.475 6.449 4.981 1.00 0.00 N ATOM 1607 CA ALA A 98 -3.623 5.072 5.523 1.00 0.00 C ATOM 1608 C ALA A 98 -3.081 4.983 6.968 1.00 0.00 C ATOM 1609 O ALA A 98 -3.064 3.899 7.560 1.00 0.00 O ATOM 1610 CB ALA A 98 -2.888 4.064 4.616 1.00 0.00 C ATOM 0 H ALA A 98 -2.504 6.720 4.827 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.685 4.826 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.002 3.059 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.312 4.101 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.829 4.319 4.572 1.00 0.00 H new ATOM 1616 N ALA A 99 -2.646 6.133 7.529 1.00 0.00 N ATOM 1617 CA ALA A 99 -2.062 6.203 8.892 1.00 0.00 C ATOM 1618 C ALA A 99 -3.114 5.887 9.973 1.00 0.00 C ATOM 1619 O ALA A 99 -2.780 5.390 11.047 1.00 0.00 O ATOM 1620 CB ALA A 99 -1.445 7.585 9.153 1.00 0.00 C ATOM 0 H ALA A 99 -2.688 7.035 7.055 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.277 5.449 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.024 7.611 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.657 7.775 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.216 8.351 9.062 1.00 0.00 H new ATOM 1626 N LYS A 100 -4.389 6.190 9.671 1.00 0.00 N ATOM 1627 CA LYS A 100 -5.520 5.927 10.591 1.00 0.00 C ATOM 1628 C LYS A 100 -6.171 4.559 10.266 1.00 0.00 C ATOM 1629 O LYS A 100 -7.183 4.180 10.871 1.00 0.00 O ATOM 1630 CB LYS A 100 -6.560 7.078 10.495 1.00 0.00 C ATOM 1631 CG LYS A 100 -5.962 8.501 10.604 1.00 0.00 C ATOM 1632 CD LYS A 100 -5.108 8.718 11.884 1.00 0.00 C ATOM 1633 CE LYS A 100 -4.471 10.118 11.926 1.00 0.00 C ATOM 1634 NZ LYS A 100 -3.598 10.305 13.103 1.00 0.00 N ATOM 0 H LYS A 100 -4.668 6.621 8.790 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.146 5.887 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.089 6.993 9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.300 6.948 11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.344 8.695 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.773 9.229 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.735 8.579 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.324 7.962 11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.890 10.277 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.258 10.872 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.193 11.263 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.155 10.180 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.830 9.604 13.081 1.00 0.00 H new ATOM 1648 N THR A 101 -5.577 3.835 9.298 1.00 0.00 N ATOM 1649 CA THR A 101 -6.001 2.487 8.894 1.00 0.00 C ATOM 1650 C THR A 101 -5.072 1.448 9.556 1.00 0.00 C ATOM 1651 O THR A 101 -3.888 1.351 9.215 1.00 0.00 O ATOM 1652 CB THR A 101 -5.977 2.329 7.332 1.00 0.00 C ATOM 1653 OG1 THR A 101 -6.792 3.354 6.731 1.00 0.00 O ATOM 1654 CG2 THR A 101 -6.479 0.941 6.881 1.00 0.00 C ATOM 0 H THR A 101 -4.776 4.179 8.768 1.00 0.00 H new ATOM 0 HA THR A 101 -7.027 2.325 9.224 1.00 0.00 H new ATOM 0 HB THR A 101 -4.942 2.429 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.512 2.938 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.445 0.877 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.843 0.167 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.505 0.797 7.221 1.00 0.00 H new ATOM 1662 N LYS A 102 -5.608 0.732 10.550 1.00 0.00 N ATOM 1663 CA LYS A 102 -4.909 -0.353 11.268 1.00 0.00 C ATOM 1664 C LYS A 102 -5.724 -1.662 11.158 1.00 0.00 C ATOM 1665 O LYS A 102 -6.851 -1.663 10.639 1.00 0.00 O ATOM 1666 CB LYS A 102 -4.665 0.033 12.758 1.00 0.00 C ATOM 1667 CG LYS A 102 -5.947 0.321 13.568 1.00 0.00 C ATOM 1668 CD LYS A 102 -5.679 0.535 15.074 1.00 0.00 C ATOM 1669 CE LYS A 102 -6.979 0.744 15.873 1.00 0.00 C ATOM 1670 NZ LYS A 102 -7.923 -0.400 15.730 1.00 0.00 N ATOM 0 H LYS A 102 -6.557 0.889 10.889 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.934 -0.510 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.119 -0.775 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.025 0.915 12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.434 1.208 13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.642 -0.509 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.145 -0.328 15.472 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.030 1.401 15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.737 0.882 16.927 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.467 1.659 15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.683 -0.313 16.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.334 -0.394 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.412 -1.293 15.881 1.00 0.00 H new ATOM 1684 N LEU A 103 -5.116 -2.773 11.614 1.00 0.00 N ATOM 1685 CA LEU A 103 -5.773 -4.096 11.693 1.00 0.00 C ATOM 1686 C LEU A 103 -6.967 -4.052 12.692 1.00 0.00 C ATOM 1687 O LEU A 103 -6.812 -3.533 13.807 1.00 0.00 O ATOM 1688 CB LEU A 103 -4.736 -5.167 12.150 1.00 0.00 C ATOM 1689 CG LEU A 103 -5.246 -6.636 12.363 1.00 0.00 C ATOM 1690 CD1 LEU A 103 -5.867 -7.227 11.082 1.00 0.00 C ATOM 1691 CD2 LEU A 103 -4.109 -7.544 12.895 1.00 0.00 C ATOM 0 H LEU A 103 -4.150 -2.781 11.940 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.156 -4.360 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.935 -5.194 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.294 -4.827 13.087 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.036 -6.596 13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.206 -8.244 11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.715 -6.616 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.120 -7.240 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.487 -8.557 13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.289 -7.559 12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.750 -7.156 13.848 1.00 0.00 H new ATOM 1703 N PRO A 104 -8.189 -4.538 12.284 1.00 0.00 N ATOM 1704 CA PRO A 104 -9.326 -4.812 13.224 1.00 0.00 C ATOM 1705 C PRO A 104 -8.967 -5.759 14.409 1.00 0.00 C ATOM 1706 O PRO A 104 -7.815 -6.179 14.541 1.00 0.00 O ATOM 1707 CB PRO A 104 -10.389 -5.447 12.294 1.00 0.00 C ATOM 1708 CG PRO A 104 -10.107 -4.849 10.948 1.00 0.00 C ATOM 1709 CD PRO A 104 -8.600 -4.760 10.864 1.00 0.00 C ATOM 0 HA PRO A 104 -9.654 -3.905 13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.302 -6.533 12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.400 -5.215 12.629 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.510 -5.470 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -10.566 -3.865 10.850 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -8.165 -5.673 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.281 -3.941 10.220 1.00 0.00 H new