USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 84 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.3) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 HIS : no HE2:sc= 1.07 K(o=2.4,f=-5.7!) USER MOD Set 2.2: A 50 TYR OH : rot -154:sc= 1.29 USER MOD Single : A 6 ASN : amide:sc= 0.214 X(o=0.21,f=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ -123:sc= 0.0102 (180deg=-0.106) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.573 F(o=-1.8!,f=-0.57) USER MOD Single : A 22 SER OG : rot 24:sc= 0.541 USER MOD Single : A 25 ASN : amide:sc= 0.427 K(o=0.43,f=-3.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -59:sc= 0.268 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.632 (180deg=-4.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0643 (180deg=-0.487) USER MOD Single : A 43 SER OG : rot 97:sc= 1.19 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 24:sc= 0.254 USER MOD Single : A 69 TYR OH : rot 70:sc= 1.25 USER MOD Single : A 74 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.62) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0.555 (180deg=0.531) USER MOD Single : A 81 SER OG : rot -120:sc= 1.38 USER MOD Single : A 89 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.66) USER MOD Single : A 96 MET CE :methyl 151:sc= -0.355 (180deg=-1.33) USER MOD Single : A 97 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 104 SER OG : rot 75:sc= 0.2 USER MOD Single : A 105 SER OG : rot 75:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.630 -10.911 -15.604 1.00 0.51 N ATOM 21 CA GLU A 2 -8.388 -9.943 -14.536 1.00 0.37 C ATOM 22 C GLU A 2 -8.008 -8.590 -15.133 1.00 0.34 C ATOM 23 O GLU A 2 -7.244 -8.522 -16.100 1.00 0.48 O ATOM 24 CB GLU A 2 -7.256 -10.452 -13.636 1.00 0.53 C ATOM 25 CG GLU A 2 -7.732 -11.573 -12.706 1.00 0.96 C ATOM 26 CD GLU A 2 -8.039 -12.853 -13.479 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.107 -13.443 -14.061 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.218 -13.275 -13.507 1.00 2.16 O ATOM 0 HA GLU A 2 -9.296 -9.823 -13.945 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.435 -10.816 -14.254 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.865 -9.627 -13.041 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.966 -11.775 -11.957 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.624 -11.248 -12.171 1.00 0.96 H new ATOM 35 N GLY A 3 -8.534 -7.512 -14.556 1.00 0.25 N ATOM 36 CA GLY A 3 -8.236 -6.160 -15.037 1.00 0.28 C ATOM 37 C GLY A 3 -9.116 -5.111 -14.361 1.00 0.22 C ATOM 38 O GLY A 3 -9.993 -5.434 -13.555 1.00 0.22 O ATOM 0 H GLY A 3 -9.167 -7.545 -13.757 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.187 -5.930 -14.849 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.383 -6.117 -16.116 1.00 0.28 H new ATOM 42 N PHE A 4 -8.876 -3.845 -14.706 1.00 0.24 N ATOM 43 CA PHE A 4 -9.641 -2.718 -14.156 1.00 0.21 C ATOM 44 C PHE A 4 -10.904 -2.468 -14.979 1.00 0.22 C ATOM 45 O PHE A 4 -10.926 -2.689 -16.193 1.00 0.27 O ATOM 46 CB PHE A 4 -8.784 -1.448 -14.134 1.00 0.23 C ATOM 47 CG PHE A 4 -8.070 -1.242 -12.822 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.775 -0.837 -11.700 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.705 -1.457 -12.739 1.00 0.34 C ATOM 50 CE1 PHE A 4 -8.114 -0.650 -10.498 1.00 0.37 C ATOM 51 CE2 PHE A 4 -6.046 -1.268 -11.539 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.769 -0.862 -10.408 1.00 0.41 C ATOM 0 H PHE A 4 -8.152 -3.570 -15.370 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.929 -2.974 -13.136 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.049 -1.498 -14.937 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.418 -0.585 -14.336 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.840 -0.667 -11.763 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.155 -1.773 -13.613 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.667 -0.334 -9.626 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.981 -1.432 -11.473 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.261 -0.717 -9.466 1.00 0.41 H new ATOM 62 N LEU A 5 -11.939 -1.995 -14.304 1.00 0.19 N ATOM 63 CA LEU A 5 -13.229 -1.695 -14.927 1.00 0.21 C ATOM 64 C LEU A 5 -13.946 -0.591 -14.147 1.00 0.20 C ATOM 65 O LEU A 5 -13.723 -0.413 -12.944 1.00 0.21 O ATOM 66 CB LEU A 5 -14.122 -2.950 -14.926 1.00 0.23 C ATOM 67 CG LEU A 5 -13.874 -3.874 -16.122 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.716 -5.141 -15.978 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.196 -3.168 -17.440 1.00 0.31 C ATOM 0 H LEU A 5 -11.913 -1.805 -13.302 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.046 -1.369 -15.951 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.952 -3.507 -14.005 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.168 -2.643 -14.924 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.818 -4.144 -16.137 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.537 -5.796 -16.831 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.441 -5.658 -15.059 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.772 -4.874 -15.941 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.011 -3.848 -18.272 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.243 -2.866 -17.445 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.564 -2.286 -17.544 1.00 0.31 H new ATOM 81 N ASN A 6 -14.845 0.112 -14.827 1.00 0.22 N ATOM 82 CA ASN A 6 -15.666 1.163 -14.209 1.00 0.23 C ATOM 83 C ASN A 6 -17.024 0.537 -13.922 1.00 0.22 C ATOM 84 O ASN A 6 -17.638 0.002 -14.832 1.00 0.26 O ATOM 85 CB ASN A 6 -15.783 2.385 -15.149 1.00 0.28 C ATOM 86 CG ASN A 6 -15.281 3.654 -14.451 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.172 3.680 -13.918 1.00 1.49 O ATOM 88 ND2 ASN A 6 -16.086 4.707 -14.459 1.00 1.24 N ATOM 0 H ASN A 6 -15.030 -0.025 -15.821 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.217 1.532 -13.287 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.204 2.209 -16.056 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.821 2.518 -15.454 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.793 5.576 -14.013 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.999 4.648 -14.911 1.00 1.24 H new ATOM 95 N ARG A 7 -17.459 0.544 -12.657 1.00 0.23 N ATOM 96 CA ARG A 7 -18.733 -0.093 -12.269 1.00 0.24 C ATOM 97 C ARG A 7 -19.787 0.922 -11.825 1.00 0.25 C ATOM 98 O ARG A 7 -19.480 1.904 -11.146 1.00 0.32 O ATOM 99 CB ARG A 7 -18.484 -1.101 -11.136 1.00 0.28 C ATOM 100 CG ARG A 7 -19.694 -2.022 -10.917 1.00 0.34 C ATOM 101 CD ARG A 7 -19.442 -3.022 -9.783 1.00 0.54 C ATOM 102 NE ARG A 7 -19.479 -2.342 -8.476 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.958 -2.900 -7.384 1.00 1.16 C ATOM 104 NH1 ARG A 7 -17.644 -2.962 -7.233 1.00 1.46 N ATOM 105 NH2 ARG A 7 -19.751 -3.370 -6.433 1.00 1.71 N ATOM 0 H ARG A 7 -16.955 0.980 -11.885 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.121 -0.600 -13.152 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.606 -1.703 -11.371 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.264 -0.564 -10.213 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.573 -1.421 -10.684 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.912 -2.562 -11.838 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.195 -3.810 -9.811 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.473 -3.502 -9.922 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.914 -1.422 -8.406 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.029 -2.582 -7.953 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -17.246 -3.389 -6.397 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.764 -3.305 -6.535 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -19.349 -3.797 -5.598 1.00 1.71 H new ATOM 119 N LYS A 8 -21.038 0.626 -12.183 1.00 0.27 N ATOM 120 CA LYS A 8 -22.209 1.434 -11.824 1.00 0.29 C ATOM 121 C LYS A 8 -23.360 0.483 -11.493 1.00 0.29 C ATOM 122 O LYS A 8 -23.460 -0.602 -12.070 1.00 0.38 O ATOM 123 CB LYS A 8 -22.614 2.366 -12.971 1.00 0.36 C ATOM 124 CG LYS A 8 -23.527 3.504 -12.482 1.00 0.37 C ATOM 125 CD LYS A 8 -24.598 3.867 -13.519 1.00 0.50 C ATOM 126 CE LYS A 8 -26.013 3.624 -12.976 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.328 4.515 -11.821 1.00 1.02 N ATOM 0 H LYS A 8 -21.272 -0.196 -12.740 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.967 2.059 -10.964 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.720 2.788 -13.430 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.128 1.792 -13.742 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.010 3.207 -11.551 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.923 4.384 -12.261 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.491 4.914 -13.803 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.447 3.275 -14.422 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.740 3.790 -13.771 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.110 2.583 -12.668 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.591 3.936 -10.998 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.493 5.090 -11.588 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.120 5.141 -12.071 1.00 1.02 H new ATOM 141 N HIS A 9 -24.218 0.885 -10.562 1.00 0.43 N ATOM 142 CA HIS A 9 -25.358 0.059 -10.137 1.00 0.52 C ATOM 143 C HIS A 9 -26.641 0.589 -10.769 1.00 0.58 C ATOM 144 O HIS A 9 -27.061 1.711 -10.488 1.00 0.73 O ATOM 145 CB HIS A 9 -25.508 0.039 -8.593 1.00 0.68 C ATOM 146 CG HIS A 9 -24.210 0.063 -7.829 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.103 0.829 -7.967 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.935 -0.760 -6.768 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -22.195 0.448 -6.997 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -22.737 -0.524 -6.286 1.00 1.75 N flip ATOM 0 H HIS A 9 -24.151 1.782 -10.081 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.173 -0.962 -10.470 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.107 0.898 -8.290 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -26.064 -0.854 -8.308 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.614 -1.504 -6.380 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.213 0.872 -6.847 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -22.301 -1.007 -5.500 1.00 1.75 H new ATOM 158 N GLU A 10 -27.256 -0.222 -11.623 1.00 0.60 N ATOM 159 CA GLU A 10 -28.495 0.146 -12.303 1.00 0.73 C ATOM 160 C GLU A 10 -29.691 -0.571 -11.662 1.00 0.83 C ATOM 161 O GLU A 10 -30.841 -0.254 -11.962 1.00 1.00 O ATOM 162 CB GLU A 10 -28.400 -0.249 -13.781 1.00 0.79 C ATOM 163 CG GLU A 10 -27.801 0.869 -14.642 1.00 1.28 C ATOM 164 CD GLU A 10 -28.841 1.939 -14.970 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.618 2.313 -14.069 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.888 2.404 -16.127 1.00 1.52 O ATOM 0 H GLU A 10 -26.911 -1.151 -11.864 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.639 1.223 -12.214 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.789 -1.146 -13.877 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.394 -0.499 -14.153 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.962 1.325 -14.117 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.407 0.447 -15.567 1.00 1.28 H new ATOM 173 N TRP A 11 -29.411 -1.550 -10.801 1.00 0.82 N ATOM 174 CA TRP A 11 -30.466 -2.335 -10.147 1.00 0.96 C ATOM 175 C TRP A 11 -29.883 -3.119 -8.964 1.00 0.94 C ATOM 176 O TRP A 11 -29.054 -4.014 -9.156 1.00 0.84 O ATOM 177 CB TRP A 11 -31.080 -3.299 -11.182 1.00 1.08 C ATOM 178 CG TRP A 11 -32.345 -3.985 -10.735 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.594 -3.435 -10.636 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.479 -5.370 -10.354 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.466 -4.404 -10.217 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.823 -5.591 -10.038 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.591 -6.440 -10.253 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.289 -6.833 -9.632 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.048 -7.685 -9.849 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.386 -7.881 -9.542 1.00 1.53 C ATOM 0 H TRP A 11 -28.463 -1.821 -10.538 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.240 -1.670 -9.765 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.288 -2.743 -12.096 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.340 -4.059 -11.433 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.849 -2.408 -10.852 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.463 -4.257 -10.060 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.547 -6.299 -10.490 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.332 -6.980 -9.392 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.355 -8.510 -9.773 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.727 -8.857 -9.231 1.00 1.53 H new ATOM 353 N SER A 22 -22.772 6.737 -9.249 1.00 1.32 N ATOM 354 CA SER A 22 -21.843 5.857 -8.522 1.00 0.74 C ATOM 355 C SER A 22 -20.865 5.145 -9.462 1.00 0.68 C ATOM 356 O SER A 22 -20.607 3.950 -9.315 1.00 1.69 O ATOM 357 CB SER A 22 -22.643 4.818 -7.738 1.00 1.62 C ATOM 358 OG SER A 22 -23.851 5.382 -7.237 1.00 1.86 O ATOM 0 HA SER A 22 -21.256 6.479 -7.846 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.872 3.968 -8.381 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.043 4.439 -6.911 1.00 1.62 H new ATOM 0 HG SER A 22 -24.102 6.156 -7.783 1.00 1.86 H new ATOM 364 N TRP A 23 -20.313 5.895 -10.400 1.00 0.69 N ATOM 365 CA TRP A 23 -19.333 5.374 -11.360 1.00 0.41 C ATOM 366 C TRP A 23 -17.976 5.289 -10.662 1.00 0.40 C ATOM 367 O TRP A 23 -17.231 6.272 -10.598 1.00 0.55 O ATOM 368 CB TRP A 23 -19.271 6.285 -12.604 1.00 0.43 C ATOM 369 CG TRP A 23 -20.255 5.873 -13.669 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.392 6.532 -14.051 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.178 4.690 -14.488 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.005 5.812 -15.041 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.293 4.688 -15.334 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.274 3.635 -14.578 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.516 3.670 -16.252 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.485 2.618 -15.492 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.598 2.632 -16.323 1.00 0.31 C ATOM 0 H TRP A 23 -20.526 6.885 -10.524 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.624 4.380 -11.700 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.471 7.314 -12.307 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.263 6.263 -13.017 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.747 7.465 -13.640 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.877 6.081 -15.497 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.407 3.610 -13.934 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.383 3.686 -16.895 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.777 1.805 -15.560 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.750 1.829 -17.029 1.00 0.31 H new ATOM 388 N HIS A 24 -17.698 4.119 -10.090 1.00 0.37 N ATOM 389 CA HIS A 24 -16.475 3.879 -9.333 1.00 0.45 C ATOM 390 C HIS A 24 -15.527 2.932 -10.078 1.00 0.36 C ATOM 391 O HIS A 24 -15.946 1.901 -10.613 1.00 0.34 O ATOM 392 CB HIS A 24 -16.865 3.282 -7.970 1.00 0.61 C ATOM 393 CG HIS A 24 -15.770 3.347 -6.949 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.649 4.346 -6.013 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.730 2.520 -6.712 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.602 4.149 -5.248 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.011 3.033 -5.649 1.00 2.74 N ATOM 0 H HIS A 24 -18.317 3.310 -10.140 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.944 4.822 -9.200 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.738 3.811 -7.588 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.159 2.242 -8.109 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.288 5.136 -5.925 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.500 1.616 -7.257 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.279 4.783 -4.436 1.00 2.98 H new ATOM 405 N ASN A 25 -14.240 3.285 -10.073 1.00 0.37 N ATOM 406 CA ASN A 25 -13.182 2.485 -10.701 1.00 0.35 C ATOM 407 C ASN A 25 -12.800 1.334 -9.763 1.00 0.34 C ATOM 408 O ASN A 25 -12.410 1.565 -8.614 1.00 0.55 O ATOM 409 CB ASN A 25 -11.956 3.372 -11.007 1.00 0.44 C ATOM 410 CG ASN A 25 -11.452 4.106 -9.753 1.00 0.99 C ATOM 411 OD1 ASN A 25 -12.176 4.909 -9.161 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.220 3.840 -9.346 1.00 1.49 N ATOM 0 H ASN A 25 -13.899 4.139 -9.631 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.543 2.072 -11.643 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.154 2.756 -11.414 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -12.218 4.101 -11.774 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.844 4.305 -8.520 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.647 3.170 -9.859 1.00 1.49 H new ATOM 419 N VAL A 26 -12.942 0.099 -10.235 1.00 0.22 N ATOM 420 CA VAL A 26 -12.638 -1.079 -9.418 1.00 0.21 C ATOM 421 C VAL A 26 -11.910 -2.145 -10.241 1.00 0.18 C ATOM 422 O VAL A 26 -11.961 -2.144 -11.475 1.00 0.23 O ATOM 423 CB VAL A 26 -13.956 -1.627 -8.822 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.687 -2.553 -9.801 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.706 -2.340 -7.495 1.00 0.31 C ATOM 0 H VAL A 26 -13.265 -0.116 -11.178 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.969 -0.796 -8.605 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.602 -0.769 -8.636 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.607 -2.915 -9.342 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.928 -2.003 -10.711 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.047 -3.400 -10.047 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.650 -2.715 -7.100 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.022 -3.174 -7.653 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.267 -1.641 -6.783 1.00 0.31 H new ATOM 435 N TYR A 27 -11.242 -3.058 -9.542 1.00 0.16 N ATOM 436 CA TYR A 27 -10.502 -4.156 -10.168 1.00 0.16 C ATOM 437 C TYR A 27 -11.346 -5.430 -10.098 1.00 0.19 C ATOM 438 O TYR A 27 -11.681 -5.896 -9.008 1.00 0.34 O ATOM 439 CB TYR A 27 -9.166 -4.350 -9.441 1.00 0.17 C ATOM 440 CG TYR A 27 -8.159 -5.173 -10.216 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.141 -6.551 -10.093 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.243 -4.545 -11.039 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.207 -7.296 -10.794 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.308 -5.288 -11.736 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.295 -6.661 -11.612 1.00 0.29 C ATOM 446 OH TYR A 27 -5.364 -7.406 -12.299 1.00 0.37 O ATOM 0 H TYR A 27 -11.197 -3.060 -8.523 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.297 -3.925 -11.213 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.734 -3.372 -9.228 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.353 -4.832 -8.481 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.855 -7.045 -9.451 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.258 -3.470 -11.138 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.193 -8.372 -10.700 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.591 -4.795 -12.375 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.796 -6.810 -12.831 1.00 0.37 H new ATOM 456 N CYS A 28 -11.705 -5.973 -11.259 1.00 0.16 N ATOM 457 CA CYS A 28 -12.533 -7.180 -11.339 1.00 0.19 C ATOM 458 C CYS A 28 -11.686 -8.412 -11.670 1.00 0.19 C ATOM 459 O CYS A 28 -10.828 -8.373 -12.558 1.00 0.23 O ATOM 460 CB CYS A 28 -13.616 -6.987 -12.408 1.00 0.23 C ATOM 461 SG CYS A 28 -14.574 -5.482 -12.148 1.00 0.34 S ATOM 0 H CYS A 28 -11.434 -5.594 -12.166 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.999 -7.344 -10.367 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.149 -6.952 -13.392 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.286 -7.847 -12.403 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.145 -5.527 -10.981 1.00 0.34 H new ATOM 467 N VAL A 29 -11.942 -9.504 -10.948 1.00 0.21 N ATOM 468 CA VAL A 29 -11.238 -10.774 -11.134 1.00 0.24 C ATOM 469 C VAL A 29 -12.264 -11.903 -11.201 1.00 0.26 C ATOM 470 O VAL A 29 -13.203 -11.929 -10.407 1.00 0.38 O ATOM 471 CB VAL A 29 -10.273 -11.001 -9.956 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.632 -12.392 -10.013 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.193 -9.919 -9.925 1.00 0.33 C ATOM 0 H VAL A 29 -12.648 -9.532 -10.213 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.664 -10.753 -12.060 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.857 -10.939 -9.038 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.957 -12.517 -9.166 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.411 -13.153 -9.972 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -9.072 -12.497 -10.942 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.522 -10.099 -9.085 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.625 -9.945 -10.855 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.661 -8.941 -9.813 1.00 0.33 H new ATOM 483 N ILE A 30 -12.075 -12.840 -12.133 1.00 0.28 N ATOM 484 CA ILE A 30 -12.982 -13.986 -12.287 1.00 0.32 C ATOM 485 C ILE A 30 -12.235 -15.263 -11.909 1.00 0.35 C ATOM 486 O ILE A 30 -11.169 -15.549 -12.458 1.00 0.44 O ATOM 487 CB ILE A 30 -13.509 -14.079 -13.731 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.024 -12.714 -14.212 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.620 -15.132 -13.826 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.690 -12.809 -15.583 1.00 0.57 C ATOM 0 H ILE A 30 -11.300 -12.830 -12.796 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.841 -13.855 -11.629 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.685 -14.380 -14.377 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.737 -12.319 -13.488 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.194 -12.009 -14.259 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.983 -15.187 -14.852 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.227 -16.104 -13.528 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.441 -14.855 -13.165 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.040 -11.822 -15.887 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.970 -13.179 -16.313 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.536 -13.494 -15.530 1.00 0.57 H new ATOM 502 N ASN A 31 -12.789 -16.016 -10.958 1.00 0.46 N ATOM 503 CA ASN A 31 -12.172 -17.264 -10.479 1.00 0.58 C ATOM 504 C ASN A 31 -13.130 -18.449 -10.676 1.00 0.71 C ATOM 505 O ASN A 31 -13.215 -19.336 -9.825 1.00 1.20 O ATOM 506 CB ASN A 31 -11.799 -17.101 -8.991 1.00 0.73 C ATOM 507 CG ASN A 31 -10.589 -17.967 -8.627 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.465 -17.683 -9.041 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.818 -19.018 -7.855 1.00 1.47 N ATOM 0 H ASN A 31 -13.670 -15.785 -10.498 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.270 -17.469 -11.055 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.577 -16.055 -8.781 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.649 -17.378 -8.367 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.047 -19.628 -7.582 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.765 -19.218 -7.533 1.00 1.47 H new ATOM 516 N ASN A 32 -13.840 -18.443 -11.815 1.00 0.85 N ATOM 517 CA ASN A 32 -14.807 -19.496 -12.189 1.00 1.00 C ATOM 518 C ASN A 32 -16.019 -19.511 -11.243 1.00 1.00 C ATOM 519 O ASN A 32 -15.883 -19.767 -10.047 1.00 1.97 O ATOM 520 CB ASN A 32 -14.128 -20.882 -12.234 1.00 1.24 C ATOM 521 CG ASN A 32 -15.126 -22.000 -12.572 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.176 -23.023 -11.888 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.921 -21.813 -13.614 1.00 2.52 N ATOM 0 H ASN A 32 -13.761 -17.702 -12.511 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.172 -19.264 -13.190 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.330 -20.871 -12.977 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.663 -21.090 -11.270 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.601 -22.528 -13.871 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.853 -20.954 -14.159 1.00 2.52 H new ATOM 530 N GLN A 33 -17.203 -19.249 -11.804 1.00 0.75 N ATOM 531 CA GLN A 33 -18.479 -19.238 -11.056 1.00 0.67 C ATOM 532 C GLN A 33 -18.599 -18.026 -10.107 1.00 0.56 C ATOM 533 O GLN A 33 -19.727 -17.575 -9.824 1.00 0.71 O ATOM 534 CB GLN A 33 -18.692 -20.586 -10.311 1.00 0.83 C ATOM 535 CG GLN A 33 -18.614 -20.475 -8.779 1.00 1.46 C ATOM 536 CD GLN A 33 -18.979 -21.810 -8.136 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.117 -22.009 -7.720 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.029 -22.731 -8.071 1.00 2.67 N ATOM 0 H GLN A 33 -17.312 -19.036 -12.796 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.282 -19.127 -11.785 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.666 -20.991 -10.586 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -17.942 -21.300 -10.652 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.608 -20.181 -8.479 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.292 -19.697 -8.428 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.095 -22.527 -8.428 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.231 -23.644 -7.664 1.00 2.67 H new ATOM 547 N GLU A 34 -17.449 -17.511 -9.622 1.00 0.53 N ATOM 548 CA GLU A 34 -17.414 -16.361 -8.714 1.00 0.49 C ATOM 549 C GLU A 34 -16.444 -15.305 -9.238 1.00 0.45 C ATOM 550 O GLU A 34 -15.510 -15.614 -9.990 1.00 0.64 O ATOM 551 CB GLU A 34 -16.966 -16.800 -7.315 1.00 0.61 C ATOM 552 CG GLU A 34 -18.028 -17.658 -6.608 1.00 1.25 C ATOM 553 CD GLU A 34 -18.016 -17.421 -5.097 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.639 -16.310 -4.669 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.373 -18.341 -4.333 1.00 1.79 O ATOM 0 H GLU A 34 -16.528 -17.883 -9.851 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.418 -15.940 -8.658 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.038 -17.366 -7.393 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.752 -15.919 -6.711 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.014 -17.422 -7.008 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.844 -18.712 -6.815 1.00 1.25 H new ATOM 562 N MET A 35 -16.659 -14.064 -8.810 1.00 0.36 N ATOM 563 CA MET A 35 -15.811 -12.937 -9.182 1.00 0.35 C ATOM 564 C MET A 35 -15.560 -12.072 -7.944 1.00 0.32 C ATOM 565 O MET A 35 -16.452 -11.896 -7.104 1.00 0.42 O ATOM 566 CB MET A 35 -16.460 -12.115 -10.310 1.00 0.41 C ATOM 567 CG MET A 35 -17.726 -11.383 -9.856 1.00 0.43 C ATOM 568 SD MET A 35 -18.521 -10.474 -11.198 1.00 0.60 S ATOM 569 CE MET A 35 -17.223 -9.320 -11.682 1.00 1.25 C ATOM 0 H MET A 35 -17.430 -13.811 -8.192 1.00 0.36 H new ATOM 0 HA MET A 35 -14.857 -13.308 -9.558 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.740 -11.388 -10.684 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.706 -12.777 -11.141 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.431 -12.105 -9.444 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.473 -10.691 -9.053 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.674 -8.392 -12.034 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.584 -9.110 -10.824 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.625 -9.759 -12.481 1.00 1.25 H new ATOM 579 N GLY A 36 -14.343 -11.552 -7.827 1.00 0.27 N ATOM 580 CA GLY A 36 -13.948 -10.721 -6.689 1.00 0.29 C ATOM 581 C GLY A 36 -13.637 -9.295 -7.129 1.00 0.25 C ATOM 582 O GLY A 36 -12.910 -9.077 -8.105 1.00 0.28 O ATOM 0 H GLY A 36 -13.603 -11.692 -8.514 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.748 -10.710 -5.949 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.072 -11.154 -6.206 1.00 0.29 H new ATOM 586 N PHE A 37 -14.185 -8.332 -6.389 1.00 0.24 N ATOM 587 CA PHE A 37 -13.978 -6.907 -6.657 1.00 0.25 C ATOM 588 C PHE A 37 -12.937 -6.355 -5.681 1.00 0.25 C ATOM 589 O PHE A 37 -13.219 -6.186 -4.492 1.00 0.40 O ATOM 590 CB PHE A 37 -15.297 -6.135 -6.509 1.00 0.30 C ATOM 591 CG PHE A 37 -16.320 -6.493 -7.561 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.140 -6.091 -8.874 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.441 -7.232 -7.216 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.075 -6.426 -9.838 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.376 -7.566 -8.180 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.202 -7.136 -9.491 1.00 0.33 C ATOM 0 H PHE A 37 -14.786 -8.517 -5.586 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.621 -6.785 -7.680 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.716 -6.332 -5.522 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.092 -5.066 -6.561 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.268 -5.515 -9.146 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.585 -7.548 -6.193 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.920 -6.130 -10.865 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.239 -8.159 -7.915 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.951 -7.359 -10.237 1.00 0.33 H new ATOM 606 N TYR A 38 -11.736 -6.089 -6.188 1.00 0.20 N ATOM 607 CA TYR A 38 -10.629 -5.566 -5.372 1.00 0.21 C ATOM 608 C TYR A 38 -10.290 -4.126 -5.773 1.00 0.21 C ATOM 609 O TYR A 38 -10.872 -3.572 -6.709 1.00 0.23 O ATOM 610 CB TYR A 38 -9.391 -6.453 -5.542 1.00 0.23 C ATOM 611 CG TYR A 38 -9.653 -7.919 -5.281 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.063 -8.745 -6.313 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.471 -8.444 -4.013 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.290 -10.090 -6.077 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.692 -9.789 -3.779 1.00 0.50 C ATOM 616 CZ TYR A 38 -10.103 -10.607 -4.812 1.00 0.44 C ATOM 617 OH TYR A 38 -10.314 -11.947 -4.582 1.00 0.55 O ATOM 0 H TYR A 38 -11.497 -6.227 -7.170 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.941 -5.572 -4.328 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.008 -6.336 -6.556 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.611 -6.106 -4.864 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.206 -8.340 -7.304 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -9.156 -7.801 -3.204 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.613 -10.733 -6.882 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -9.543 -10.198 -2.791 1.00 0.50 H new ATOM 0 HH TYR A 38 -10.137 -12.149 -3.639 1.00 0.55 H new ATOM 627 N LYS A 39 -9.338 -3.522 -5.060 1.00 0.25 N ATOM 628 CA LYS A 39 -8.914 -2.145 -5.338 1.00 0.29 C ATOM 629 C LYS A 39 -7.969 -2.104 -6.549 1.00 0.28 C ATOM 630 O LYS A 39 -8.024 -1.174 -7.352 1.00 0.33 O ATOM 631 CB LYS A 39 -8.227 -1.546 -4.102 1.00 0.36 C ATOM 632 CG LYS A 39 -8.296 -0.016 -4.113 1.00 0.70 C ATOM 633 CD LYS A 39 -8.272 0.570 -2.696 1.00 1.15 C ATOM 634 CE LYS A 39 -6.846 0.934 -2.252 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.683 2.405 -2.075 1.00 2.51 N ATOM 0 H LYS A 39 -8.844 -3.964 -4.284 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.796 -1.550 -5.573 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.703 -1.927 -3.198 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.185 -1.865 -4.072 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.456 0.381 -4.684 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.206 0.302 -4.622 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.902 1.459 -2.660 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.697 -0.151 -1.998 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.616 0.427 -1.315 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.131 0.575 -2.993 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.709 2.613 -1.775 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.878 2.887 -2.976 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -7.348 2.743 -1.350 1.00 2.51 H new ATOM 649 N ASP A 40 -7.108 -3.120 -6.676 1.00 0.28 N ATOM 650 CA ASP A 40 -6.150 -3.218 -7.791 1.00 0.32 C ATOM 651 C ASP A 40 -5.603 -4.651 -7.915 1.00 0.33 C ATOM 652 O ASP A 40 -6.134 -5.589 -7.312 1.00 0.32 O ATOM 653 CB ASP A 40 -4.990 -2.203 -7.619 1.00 0.38 C ATOM 654 CG ASP A 40 -3.923 -2.701 -6.638 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.274 -3.037 -5.492 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.739 -2.771 -7.020 1.00 0.94 O ATOM 0 H ASP A 40 -7.053 -3.895 -6.015 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.680 -2.972 -8.711 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.529 -2.013 -8.588 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.391 -1.253 -7.265 1.00 0.38 H new ATOM 661 N ALA A 41 -4.523 -4.796 -8.691 1.00 0.40 N ATOM 662 CA ALA A 41 -3.863 -6.092 -8.905 1.00 0.45 C ATOM 663 C ALA A 41 -3.202 -6.598 -7.616 1.00 0.45 C ATOM 664 O ALA A 41 -3.315 -7.777 -7.281 1.00 0.47 O ATOM 665 CB ALA A 41 -2.813 -5.961 -10.009 1.00 0.55 C ATOM 0 H ALA A 41 -4.082 -4.022 -9.188 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.621 -6.815 -9.204 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.326 -6.924 -10.164 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.295 -5.645 -10.934 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.068 -5.221 -9.717 1.00 0.55 H new ATOM 671 N LYS A 42 -2.530 -5.698 -6.887 1.00 0.46 N ATOM 672 CA LYS A 42 -1.863 -6.052 -5.624 1.00 0.48 C ATOM 673 C LYS A 42 -2.896 -6.501 -4.584 1.00 0.43 C ATOM 674 O LYS A 42 -2.673 -7.472 -3.854 1.00 0.47 O ATOM 675 CB LYS A 42 -1.061 -4.856 -5.098 1.00 0.54 C ATOM 676 CG LYS A 42 0.012 -4.417 -6.098 1.00 0.77 C ATOM 677 CD LYS A 42 1.315 -4.033 -5.390 1.00 1.12 C ATOM 678 CE LYS A 42 2.432 -3.721 -6.393 1.00 1.96 C ATOM 679 NZ LYS A 42 2.679 -4.867 -7.313 1.00 2.76 N ATOM 0 H LYS A 42 -2.433 -4.717 -7.149 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.177 -6.879 -5.809 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.736 -4.024 -4.898 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.591 -5.120 -4.151 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.205 -5.224 -6.804 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.353 -3.568 -6.676 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.142 -3.164 -4.755 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.629 -4.848 -4.737 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.164 -2.839 -6.974 1.00 1.96 H new ATOM 0 HE3 LYS A 42 3.349 -3.482 -5.854 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.611 -4.757 -7.762 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 2.657 -5.756 -6.774 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.942 -4.889 -8.046 1.00 2.76 H new ATOM 693 N SER A 43 -4.034 -5.801 -4.542 1.00 0.38 N ATOM 694 CA SER A 43 -5.125 -6.127 -3.617 1.00 0.38 C ATOM 695 C SER A 43 -5.761 -7.479 -3.984 1.00 0.39 C ATOM 696 O SER A 43 -6.134 -8.259 -3.106 1.00 0.45 O ATOM 697 CB SER A 43 -6.186 -5.024 -3.648 1.00 0.37 C ATOM 698 OG SER A 43 -5.598 -3.749 -3.431 1.00 1.04 O ATOM 0 H SER A 43 -4.225 -4.999 -5.143 1.00 0.38 H new ATOM 0 HA SER A 43 -4.714 -6.199 -2.610 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.698 -5.034 -4.610 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.939 -5.217 -2.884 1.00 0.37 H new ATOM 0 HG SER A 43 -5.444 -3.309 -4.293 1.00 1.04 H new ATOM 704 N ALA A 44 -5.872 -7.750 -5.288 1.00 0.37 N ATOM 705 CA ALA A 44 -6.452 -9.003 -5.787 1.00 0.43 C ATOM 706 C ALA A 44 -5.495 -10.182 -5.575 1.00 0.51 C ATOM 707 O ALA A 44 -5.920 -11.268 -5.179 1.00 0.59 O ATOM 708 CB ALA A 44 -6.789 -8.868 -7.275 1.00 0.43 C ATOM 0 H ALA A 44 -5.565 -7.113 -6.023 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.364 -9.200 -5.224 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.219 -9.802 -7.637 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.508 -8.060 -7.413 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.881 -8.645 -7.835 1.00 0.43 H new ATOM 714 N ALA A 45 -4.206 -9.958 -5.847 1.00 0.54 N ATOM 715 CA ALA A 45 -3.172 -10.991 -5.702 1.00 0.64 C ATOM 716 C ALA A 45 -2.980 -11.391 -4.235 1.00 0.68 C ATOM 717 O ALA A 45 -2.967 -12.576 -3.904 1.00 0.76 O ATOM 718 CB ALA A 45 -1.848 -10.483 -6.280 1.00 0.69 C ATOM 0 H ALA A 45 -3.849 -9.060 -6.173 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.498 -11.874 -6.251 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.084 -11.253 -6.170 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.978 -10.249 -7.337 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.538 -9.585 -5.745 1.00 0.69 H new ATOM 724 N SER A 46 -2.825 -10.396 -3.358 1.00 0.65 N ATOM 725 CA SER A 46 -2.622 -10.636 -1.921 1.00 0.73 C ATOM 726 C SER A 46 -3.922 -11.087 -1.232 1.00 0.74 C ATOM 727 O SER A 46 -3.882 -11.778 -0.215 1.00 0.84 O ATOM 728 CB SER A 46 -2.070 -9.365 -1.261 1.00 0.75 C ATOM 729 OG SER A 46 -1.224 -9.698 -0.170 1.00 1.21 O ATOM 0 H SER A 46 -2.836 -9.410 -3.617 1.00 0.65 H new ATOM 0 HA SER A 46 -1.900 -11.445 -1.806 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.515 -8.779 -1.994 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.894 -8.742 -0.913 1.00 0.75 H new ATOM 0 HG SER A 46 -0.879 -8.877 0.239 1.00 1.21 H new ATOM 735 N GLY A 47 -5.068 -10.701 -1.795 1.00 0.70 N ATOM 736 CA GLY A 47 -6.376 -11.072 -1.245 1.00 0.74 C ATOM 737 C GLY A 47 -6.819 -10.094 -0.155 1.00 0.75 C ATOM 738 O GLY A 47 -7.099 -10.497 0.974 1.00 0.88 O ATOM 0 H GLY A 47 -5.118 -10.128 -2.637 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.117 -11.089 -2.044 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.327 -12.080 -0.834 1.00 0.74 H new ATOM 742 N ILE A 48 -6.893 -8.812 -0.512 1.00 0.67 N ATOM 743 CA ILE A 48 -7.319 -7.750 0.408 1.00 0.72 C ATOM 744 C ILE A 48 -8.708 -7.271 -0.027 1.00 0.75 C ATOM 745 O ILE A 48 -8.871 -6.775 -1.141 1.00 0.75 O ATOM 746 CB ILE A 48 -6.299 -6.595 0.380 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.968 -7.039 0.999 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.823 -5.357 1.114 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.826 -6.102 0.604 1.00 0.97 C ATOM 0 H ILE A 48 -6.660 -8.477 -1.447 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.369 -8.123 1.431 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.141 -6.328 -0.665 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.061 -7.064 2.085 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.736 -8.054 0.676 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.075 -4.565 1.072 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.742 -5.014 0.639 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.026 -5.610 2.155 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.898 -6.447 1.060 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.717 -6.098 -0.481 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.047 -5.092 0.950 1.00 0.97 H new ATOM 761 N PRO A 49 -9.737 -7.430 0.829 1.00 0.84 N ATOM 762 CA PRO A 49 -11.120 -7.027 0.497 1.00 0.93 C ATOM 763 C PRO A 49 -11.310 -5.505 0.453 1.00 0.93 C ATOM 764 O PRO A 49 -10.799 -4.780 1.309 1.00 1.08 O ATOM 765 CB PRO A 49 -11.965 -7.670 1.597 1.00 1.07 C ATOM 766 CG PRO A 49 -11.037 -7.853 2.755 1.00 1.06 C ATOM 767 CD PRO A 49 -9.649 -8.024 2.179 1.00 0.92 C ATOM 0 HA PRO A 49 -11.403 -7.354 -0.504 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.809 -7.035 1.866 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.377 -8.624 1.269 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.076 -6.991 3.421 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.321 -8.725 3.344 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.901 -7.517 2.788 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.364 -9.075 2.133 1.00 0.92 H new ATOM 775 N TYR A 50 -12.046 -5.039 -0.560 1.00 0.87 N ATOM 776 CA TYR A 50 -12.319 -3.612 -0.753 1.00 0.91 C ATOM 777 C TYR A 50 -13.656 -3.235 -0.090 1.00 1.12 C ATOM 778 O TYR A 50 -13.894 -3.578 1.071 1.00 1.91 O ATOM 779 CB TYR A 50 -12.314 -3.304 -2.268 1.00 0.92 C ATOM 780 CG TYR A 50 -12.314 -1.827 -2.624 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.505 -0.927 -1.943 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.128 -1.373 -3.650 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.515 0.410 -2.290 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.133 -0.034 -3.993 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.327 0.852 -3.311 1.00 1.17 C ATOM 786 OH TYR A 50 -12.330 2.184 -3.650 1.00 1.34 O ATOM 0 H TYR A 50 -12.469 -5.639 -1.268 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.546 -3.009 -0.277 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.436 -3.770 -2.715 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.188 -3.771 -2.721 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.868 -1.272 -1.142 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.760 -2.068 -4.183 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.885 1.110 -1.760 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.767 0.317 -4.794 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.192 2.417 -4.054 1.00 1.34 H new ATOM 796 N HIS A 51 -14.522 -2.526 -0.822 1.00 1.28 N ATOM 797 CA HIS A 51 -15.830 -2.093 -0.298 1.00 1.53 C ATOM 798 C HIS A 51 -16.914 -2.214 -1.376 1.00 1.61 C ATOM 799 O HIS A 51 -16.617 -2.245 -2.574 1.00 2.07 O ATOM 800 CB HIS A 51 -15.743 -0.632 0.189 1.00 2.01 C ATOM 801 CG HIS A 51 -15.346 -0.496 1.634 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.224 -0.152 2.632 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.150 -0.649 2.264 1.00 2.89 C ATOM 804 CE1 HIS A 51 -15.619 -0.095 3.795 1.00 3.87 C ATOM 805 NE2 HIS A 51 -14.345 -0.394 3.611 1.00 3.74 N ATOM 0 H HIS A 51 -14.343 -2.237 -1.784 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.097 -2.740 0.538 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.022 -0.095 -0.428 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.710 -0.151 0.041 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -13.215 -0.921 1.797 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -16.082 0.153 4.739 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -13.629 -0.431 4.336 1.00 3.74 H new ATOM 813 N SER A 52 -18.170 -2.266 -0.920 1.00 1.60 N ATOM 814 CA SER A 52 -19.357 -2.364 -1.787 1.00 1.96 C ATOM 815 C SER A 52 -19.424 -3.720 -2.505 1.00 1.85 C ATOM 816 O SER A 52 -19.298 -3.793 -3.726 1.00 2.45 O ATOM 817 CB SER A 52 -19.388 -1.201 -2.794 1.00 2.44 C ATOM 818 OG SER A 52 -19.218 0.047 -2.122 1.00 2.65 O ATOM 0 H SER A 52 -18.397 -2.241 0.074 1.00 1.60 H new ATOM 0 HA SER A 52 -20.240 -2.292 -1.152 1.00 1.96 H new ATOM 0 HB2 SER A 52 -18.599 -1.332 -3.535 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.335 -1.204 -3.333 1.00 2.44 H new ATOM 0 HG SER A 52 -19.238 0.776 -2.776 1.00 2.65 H new ATOM 824 N GLU A 53 -19.640 -4.781 -1.714 1.00 1.45 N ATOM 825 CA GLU A 53 -19.752 -6.166 -2.207 1.00 1.37 C ATOM 826 C GLU A 53 -18.444 -6.615 -2.876 1.00 1.08 C ATOM 827 O GLU A 53 -18.194 -6.308 -4.043 1.00 1.24 O ATOM 828 CB GLU A 53 -20.938 -6.313 -3.184 1.00 1.73 C ATOM 829 CG GLU A 53 -22.209 -5.586 -2.702 1.00 2.39 C ATOM 830 CD GLU A 53 -22.488 -5.854 -1.224 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.616 -7.038 -0.843 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.574 -4.887 -0.438 1.00 3.23 O ATOM 0 H GLU A 53 -19.743 -4.703 -0.702 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.938 -6.811 -1.349 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.649 -5.920 -4.159 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.161 -7.371 -3.320 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.098 -4.514 -2.863 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.062 -5.911 -3.298 1.00 2.39 H new ATOM 839 N VAL A 54 -17.602 -7.339 -2.129 1.00 0.84 N ATOM 840 CA VAL A 54 -16.317 -7.811 -2.656 1.00 0.66 C ATOM 841 C VAL A 54 -16.468 -9.164 -3.379 1.00 0.55 C ATOM 842 O VAL A 54 -16.108 -9.258 -4.552 1.00 0.49 O ATOM 843 CB VAL A 54 -15.254 -7.858 -1.539 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.990 -8.598 -1.995 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.902 -6.438 -1.097 1.00 1.34 C ATOM 0 H VAL A 54 -17.786 -7.609 -1.163 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.970 -7.097 -3.403 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.674 -8.407 -0.696 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.263 -8.611 -1.183 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.246 -9.621 -2.269 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.561 -8.088 -2.857 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.151 -6.478 -0.308 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.507 -5.880 -1.946 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.797 -5.942 -0.721 1.00 1.34 H new ATOM 855 N PRO A 55 -17.002 -10.234 -2.729 1.00 0.62 N ATOM 856 CA PRO A 55 -17.173 -11.541 -3.376 1.00 0.59 C ATOM 857 C PRO A 55 -18.597 -11.714 -3.923 1.00 0.58 C ATOM 858 O PRO A 55 -19.560 -11.741 -3.147 1.00 0.83 O ATOM 859 CB PRO A 55 -16.907 -12.519 -2.231 1.00 0.76 C ATOM 860 CG PRO A 55 -17.220 -11.762 -0.964 1.00 0.87 C ATOM 861 CD PRO A 55 -17.493 -10.316 -1.343 1.00 0.83 C ATOM 0 HA PRO A 55 -16.516 -11.683 -4.234 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.533 -13.407 -2.321 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.871 -12.858 -2.239 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.086 -12.196 -0.464 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.385 -11.823 -0.266 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.554 -10.076 -1.277 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.967 -9.622 -0.688 1.00 0.83 H new ATOM 869 N VAL A 56 -18.730 -11.830 -5.243 1.00 0.41 N ATOM 870 CA VAL A 56 -20.041 -11.998 -5.879 1.00 0.43 C ATOM 871 C VAL A 56 -20.026 -13.193 -6.838 1.00 0.42 C ATOM 872 O VAL A 56 -19.026 -13.464 -7.507 1.00 0.43 O ATOM 873 CB VAL A 56 -20.435 -10.714 -6.633 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.871 -10.810 -7.160 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.284 -9.481 -5.734 1.00 0.63 C ATOM 0 H VAL A 56 -17.947 -11.811 -5.896 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.780 -12.190 -5.101 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.759 -10.607 -7.482 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -22.127 -9.892 -7.689 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.952 -11.656 -7.842 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.557 -10.950 -6.324 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.568 -8.588 -6.290 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.929 -9.586 -4.862 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.247 -9.392 -5.410 1.00 0.63 H new ATOM 885 N SER A 57 -21.146 -13.906 -6.883 1.00 0.47 N ATOM 886 CA SER A 57 -21.321 -15.079 -7.725 1.00 0.48 C ATOM 887 C SER A 57 -21.712 -14.676 -9.152 1.00 0.46 C ATOM 888 O SER A 57 -22.669 -13.923 -9.361 1.00 0.59 O ATOM 889 CB SER A 57 -22.409 -15.953 -7.118 1.00 0.61 C ATOM 890 OG SER A 57 -22.240 -16.071 -5.706 1.00 0.91 O ATOM 0 H SER A 57 -21.970 -13.680 -6.326 1.00 0.47 H new ATOM 0 HA SER A 57 -20.380 -15.627 -7.777 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.388 -15.526 -7.337 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.383 -16.942 -7.575 1.00 0.61 H new ATOM 0 HG SER A 57 -22.951 -16.635 -5.337 1.00 0.91 H new ATOM 896 N LEU A 58 -20.972 -15.202 -10.121 1.00 0.44 N ATOM 897 CA LEU A 58 -21.199 -14.950 -11.544 1.00 0.49 C ATOM 898 C LEU A 58 -21.471 -16.283 -12.242 1.00 0.60 C ATOM 899 O LEU A 58 -20.731 -16.692 -13.141 1.00 0.89 O ATOM 900 CB LEU A 58 -19.964 -14.262 -12.139 1.00 0.67 C ATOM 901 CG LEU A 58 -20.267 -13.623 -13.498 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.686 -12.162 -13.331 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.060 -13.737 -14.429 1.00 0.86 C ATOM 0 H LEU A 58 -20.185 -15.825 -9.940 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.059 -14.295 -11.685 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.607 -13.497 -11.449 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.161 -14.990 -12.251 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.099 -14.164 -13.950 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.896 -11.730 -14.309 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.581 -12.109 -12.711 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.880 -11.605 -12.853 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.296 -13.277 -15.389 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.207 -13.227 -13.982 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.816 -14.788 -14.581 1.00 0.86 H new ATOM 915 N LYS A 59 -22.530 -16.966 -11.809 1.00 0.70 N ATOM 916 CA LYS A 59 -22.907 -18.263 -12.372 1.00 0.90 C ATOM 917 C LYS A 59 -23.923 -18.079 -13.494 1.00 0.87 C ATOM 918 O LYS A 59 -25.113 -17.876 -13.246 1.00 0.95 O ATOM 919 CB LYS A 59 -23.482 -19.163 -11.275 1.00 1.13 C ATOM 920 CG LYS A 59 -23.548 -20.627 -11.725 1.00 1.41 C ATOM 921 CD LYS A 59 -22.939 -21.553 -10.672 1.00 1.78 C ATOM 922 CE LYS A 59 -23.674 -21.436 -9.337 1.00 2.18 C ATOM 923 NZ LYS A 59 -24.932 -22.235 -9.325 1.00 2.83 N ATOM 0 H LYS A 59 -23.146 -16.640 -11.065 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.018 -18.738 -12.786 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.866 -19.084 -10.379 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.481 -18.819 -11.007 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.585 -20.909 -11.906 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.016 -20.745 -12.669 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.981 -22.584 -11.023 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -21.886 -21.306 -10.533 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -23.021 -21.774 -8.532 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.906 -20.389 -9.141 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.401 -22.130 -8.403 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.566 -21.896 -10.077 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.708 -23.238 -9.487 1.00 2.83 H new ATOM 937 N GLU A 60 -23.430 -18.154 -14.728 1.00 0.89 N ATOM 938 CA GLU A 60 -24.250 -18.001 -15.942 1.00 0.93 C ATOM 939 C GLU A 60 -24.940 -16.633 -15.969 1.00 0.71 C ATOM 940 O GLU A 60 -26.170 -16.535 -16.026 1.00 0.82 O ATOM 941 CB GLU A 60 -25.280 -19.140 -16.050 1.00 1.20 C ATOM 942 CG GLU A 60 -24.624 -20.508 -15.794 1.00 1.43 C ATOM 943 CD GLU A 60 -25.433 -21.637 -16.429 1.00 1.80 C ATOM 944 OE1 GLU A 60 -26.141 -21.389 -17.425 1.00 2.04 O ATOM 945 OE2 GLU A 60 -25.351 -22.780 -15.937 1.00 2.33 O ATOM 0 H GLU A 60 -22.443 -18.324 -14.922 1.00 0.89 H new ATOM 0 HA GLU A 60 -23.589 -18.059 -16.807 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.082 -18.978 -15.330 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -25.734 -19.131 -17.041 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -23.612 -20.510 -16.199 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.538 -20.678 -14.721 1.00 1.43 H new ATOM 952 N ALA A 61 -24.129 -15.578 -15.915 1.00 0.51 N ATOM 953 CA ALA A 61 -24.623 -14.198 -15.922 1.00 0.35 C ATOM 954 C ALA A 61 -24.917 -13.723 -17.345 1.00 0.35 C ATOM 955 O ALA A 61 -24.161 -14.014 -18.274 1.00 0.43 O ATOM 956 CB ALA A 61 -23.579 -13.273 -15.288 1.00 0.31 C ATOM 0 H ALA A 61 -23.113 -15.653 -15.865 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.549 -14.168 -15.348 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.949 -12.248 -15.295 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.393 -13.585 -14.260 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.651 -13.327 -15.857 1.00 0.31 H new ATOM 962 N ILE A 62 -26.001 -12.965 -17.502 1.00 0.34 N ATOM 963 CA ILE A 62 -26.388 -12.408 -18.798 1.00 0.37 C ATOM 964 C ILE A 62 -25.639 -11.093 -19.005 1.00 0.31 C ATOM 965 O ILE A 62 -25.453 -10.324 -18.055 1.00 0.31 O ATOM 966 CB ILE A 62 -27.902 -12.171 -18.857 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.674 -13.403 -18.359 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.326 -11.826 -20.284 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.817 -13.413 -16.833 1.00 1.27 C ATOM 0 H ILE A 62 -26.633 -12.720 -16.739 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.130 -13.113 -19.589 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.140 -11.333 -18.202 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.663 -13.420 -18.816 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.159 -14.308 -18.681 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.403 -11.660 -20.314 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.810 -10.922 -20.608 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.068 -12.650 -20.950 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.369 -14.301 -16.525 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -27.828 -13.423 -16.375 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -29.356 -12.522 -16.512 1.00 1.27 H new ATOM 981 N CYS A 63 -25.195 -10.844 -20.232 1.00 0.34 N ATOM 982 CA CYS A 63 -24.440 -9.634 -20.547 1.00 0.33 C ATOM 983 C CYS A 63 -24.931 -9.013 -21.858 1.00 0.34 C ATOM 984 O CYS A 63 -25.081 -9.705 -22.867 1.00 0.52 O ATOM 985 CB CYS A 63 -22.949 -9.991 -20.618 1.00 0.37 C ATOM 986 SG CYS A 63 -21.876 -8.548 -20.565 1.00 0.53 S ATOM 0 H CYS A 63 -25.345 -11.465 -21.027 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.592 -8.889 -19.766 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.700 -10.653 -19.788 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.757 -10.546 -21.537 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.501 -7.563 -19.991 1.00 0.53 H new ATOM 992 N GLU A 64 -25.185 -7.697 -21.824 1.00 0.26 N ATOM 993 CA GLU A 64 -25.671 -6.935 -22.987 1.00 0.29 C ATOM 994 C GLU A 64 -24.789 -5.697 -23.200 1.00 0.24 C ATOM 995 O GLU A 64 -24.779 -4.792 -22.366 1.00 0.36 O ATOM 996 CB GLU A 64 -27.131 -6.490 -22.762 1.00 0.33 C ATOM 997 CG GLU A 64 -28.037 -7.639 -22.279 1.00 0.81 C ATOM 998 CD GLU A 64 -28.358 -8.608 -23.413 1.00 1.41 C ATOM 999 OE1 GLU A 64 -28.010 -8.311 -24.572 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.949 -9.675 -23.150 1.00 1.96 O ATOM 0 H GLU A 64 -25.059 -7.128 -20.987 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.625 -7.574 -23.869 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.152 -5.684 -22.028 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.530 -6.085 -23.692 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.545 -8.176 -21.468 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.963 -7.229 -21.875 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.039 -5.664 -24.305 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.137 -4.536 -24.619 1.00 0.32 C ATOM 1009 C VAL A 65 -23.913 -3.231 -24.909 1.00 0.31 C ATOM 1010 O VAL A 65 -24.960 -3.238 -25.561 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.208 -4.903 -25.800 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.925 -5.730 -26.868 1.00 0.39 C ATOM 1013 CG2 VAL A 65 -21.570 -3.663 -26.438 1.00 0.34 C ATOM 0 H VAL A 65 -24.034 -6.406 -25.005 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.525 -4.349 -23.736 1.00 0.32 H new ATOM 0 HB VAL A 65 -21.414 -5.517 -25.374 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -22.231 -5.962 -27.675 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -23.290 -6.657 -26.426 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -23.766 -5.161 -27.265 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -20.926 -3.969 -27.263 1.00 0.34 H new ATOM 0 HG22 VAL A 65 -22.352 -3.004 -26.814 1.00 0.34 H new ATOM 0 HG23 VAL A 65 -20.977 -3.134 -25.692 1.00 0.34 H new ATOM 1023 N ALA A 66 -23.355 -2.120 -24.417 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.905 -0.767 -24.583 1.00 0.31 C ATOM 1025 C ALA A 66 -22.822 0.135 -25.191 1.00 0.34 C ATOM 1026 O ALA A 66 -22.008 0.738 -24.477 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.360 -0.221 -23.228 1.00 0.36 C ATOM 0 H ALA A 66 -22.488 -2.135 -23.880 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.768 -0.794 -25.248 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.767 0.782 -23.358 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.128 -0.873 -22.812 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.510 -0.182 -22.547 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.807 0.204 -26.522 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.820 1.005 -27.267 1.00 0.71 C ATOM 1035 C LEU A 67 -22.103 2.513 -27.153 1.00 0.89 C ATOM 1036 O LEU A 67 -21.205 3.336 -27.365 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.800 0.574 -28.748 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.367 0.333 -29.240 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.943 -1.108 -28.959 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.238 0.645 -30.732 1.00 1.39 C ATOM 0 H LEU A 67 -23.473 -0.289 -27.117 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.841 0.822 -26.824 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.387 -0.336 -28.872 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.272 1.343 -29.359 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.705 1.006 -28.695 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.924 -1.263 -29.314 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.987 -1.298 -27.886 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.615 -1.793 -29.476 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.212 0.466 -31.054 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.913 0.003 -31.298 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.496 1.689 -30.909 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.343 2.866 -26.813 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.745 4.266 -26.663 1.00 1.14 C ATOM 1054 C ASP A 68 -24.735 4.403 -25.506 1.00 0.87 C ATOM 1055 O ASP A 68 -25.949 4.460 -25.711 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.358 4.794 -27.972 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.549 6.312 -27.912 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.546 7.050 -28.023 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.696 6.770 -27.743 1.00 2.62 O ATOM 0 H ASP A 68 -24.092 2.197 -26.635 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.862 4.865 -26.438 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.711 4.538 -28.811 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.318 4.309 -28.150 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.199 4.465 -24.290 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.001 4.619 -23.081 1.00 0.69 C ATOM 1066 C TYR A 69 -24.878 6.064 -22.592 1.00 0.97 C ATOM 1067 O TYR A 69 -24.039 6.373 -21.743 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.533 3.628 -22.002 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.264 3.796 -20.683 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.643 3.641 -20.622 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.560 4.120 -19.537 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.309 3.810 -19.417 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.227 4.285 -18.334 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.597 4.131 -18.278 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.255 4.307 -17.079 1.00 0.97 O ATOM 0 H TYR A 69 -23.196 4.410 -24.116 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.047 4.402 -23.296 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.678 2.610 -22.364 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.463 3.758 -21.837 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.197 3.389 -21.514 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.488 4.245 -19.580 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.381 3.691 -19.370 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.675 4.534 -17.440 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.594 3.444 -16.762 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.921 2.237 -24.156 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.478 0.901 -24.380 1.00 0.38 C ATOM 1175 C HIS A 74 -18.032 0.357 -23.064 1.00 0.30 C ATOM 1176 O HIS A 74 -17.275 -0.135 -22.222 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.395 -0.042 -24.935 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.127 0.168 -26.397 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.175 1.033 -26.876 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.699 -0.368 -27.504 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.160 1.036 -28.186 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.083 0.188 -28.608 1.00 1.53 N ATOM 0 HA HIS A 74 -18.284 0.964 -25.111 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.471 0.107 -24.377 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.703 -1.075 -24.772 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.494 -1.099 -27.519 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.508 1.627 -28.812 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.302 -0.020 -29.582 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.350 0.462 -22.885 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.020 -0.010 -21.669 1.00 0.23 C ATOM 1192 C VAL A 75 -20.752 -1.320 -21.966 1.00 0.22 C ATOM 1193 O VAL A 75 -21.155 -1.567 -23.101 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.022 1.055 -21.179 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.712 0.607 -19.887 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.337 2.410 -20.969 1.00 0.31 C ATOM 0 H VAL A 75 -19.981 0.874 -23.573 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.278 -0.182 -20.889 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.779 1.171 -21.955 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.413 1.376 -19.563 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.251 -0.323 -20.066 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.963 0.449 -19.111 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.070 3.139 -20.624 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.548 2.307 -20.223 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.904 2.749 -21.910 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.943 -2.150 -20.948 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.657 -3.413 -21.107 1.00 0.23 C ATOM 1208 C PHE A 76 -22.422 -3.727 -19.827 1.00 0.22 C ATOM 1209 O PHE A 76 -21.923 -3.528 -18.715 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.717 -4.565 -21.503 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.624 -4.888 -20.502 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.388 -4.266 -20.594 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.849 -5.831 -19.513 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.381 -4.589 -19.699 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.845 -6.149 -18.616 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.612 -5.530 -18.709 1.00 0.29 C ATOM 0 H PHE A 76 -20.612 -1.971 -20.000 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.367 -3.307 -21.928 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.316 -5.461 -21.663 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.251 -4.319 -22.457 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.210 -3.529 -21.364 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.810 -6.319 -19.442 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.417 -4.108 -19.773 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.024 -6.881 -17.843 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.828 -5.780 -18.009 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.648 -4.201 -20.009 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.544 -4.550 -18.910 1.00 0.28 C ATOM 1228 C LYS A 77 -24.212 -5.947 -18.403 1.00 0.31 C ATOM 1229 O LYS A 77 -23.893 -6.833 -19.192 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.000 -4.505 -19.410 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.985 -4.094 -18.312 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.870 -2.934 -18.779 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.857 -2.496 -17.695 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.990 -3.453 -17.561 1.00 1.95 N ATOM 0 H LYS A 77 -24.054 -4.356 -20.932 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.419 -3.838 -18.094 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.074 -3.803 -20.241 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.279 -5.486 -19.795 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.608 -4.946 -18.039 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.437 -3.801 -17.417 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.242 -2.089 -19.061 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.420 -3.234 -19.671 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.336 -2.413 -16.741 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.244 -1.505 -17.934 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.563 -3.199 -16.731 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.581 -3.413 -18.416 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.618 -4.417 -17.442 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.290 -6.140 -17.094 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.001 -7.436 -16.481 1.00 0.24 C ATOM 1250 C LEU A 78 -25.052 -7.752 -15.412 1.00 0.29 C ATOM 1251 O LEU A 78 -25.101 -7.101 -14.366 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.592 -7.432 -15.859 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.763 -8.660 -16.260 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.602 -8.844 -15.288 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.608 -9.936 -16.300 1.00 0.30 C ATOM 0 H LEU A 78 -24.553 -5.412 -16.429 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.036 -8.206 -17.251 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.066 -6.528 -16.166 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.679 -7.396 -14.773 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.382 -8.482 -17.266 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.019 -9.717 -15.579 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -19.966 -7.959 -15.309 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.991 -8.987 -14.280 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -21.980 -10.779 -16.588 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.034 -10.121 -15.314 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.412 -9.817 -17.026 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.864 -8.774 -15.677 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.899 -9.232 -14.750 1.00 0.40 C ATOM 1269 C ARG A 79 -26.459 -10.591 -14.210 1.00 0.45 C ATOM 1270 O ARG A 79 -26.458 -11.578 -14.950 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.243 -9.350 -15.477 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.368 -9.722 -14.512 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.590 -8.824 -14.694 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.369 -8.784 -13.461 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.529 -8.141 -13.385 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.571 -6.829 -13.589 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -33.637 -8.818 -13.123 1.00 2.93 N ATOM 0 H ARG A 79 -25.823 -9.310 -16.544 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.028 -8.523 -13.932 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.478 -8.404 -15.966 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.170 -10.104 -16.261 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.654 -10.762 -14.670 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.008 -9.643 -13.486 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.274 -7.817 -14.967 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.207 -9.197 -15.512 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.013 -9.263 -12.634 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.714 -6.319 -13.803 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.460 -6.332 -13.531 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -33.596 -9.827 -12.981 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -34.531 -8.330 -13.063 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.043 -10.630 -12.941 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.552 -11.862 -12.327 1.00 0.68 C ATOM 1293 C LEU A 80 -26.629 -12.587 -11.518 1.00 0.84 C ATOM 1294 O LEU A 80 -27.662 -12.016 -11.147 1.00 1.06 O ATOM 1295 CB LEU A 80 -24.287 -11.590 -11.484 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.149 -10.147 -11.008 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.316 -9.787 -10.117 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -22.825 -9.949 -10.273 1.00 1.26 C ATOM 0 H LEU A 80 -26.037 -9.821 -12.320 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.278 -12.537 -13.138 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -24.295 -12.248 -10.615 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -23.408 -11.852 -12.074 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.154 -9.486 -11.875 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -25.212 -8.756 -9.780 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -26.246 -9.895 -10.675 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.332 -10.451 -9.253 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.744 -8.914 -9.941 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.786 -10.611 -9.408 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -21.998 -10.180 -10.944 1.00 1.26 H new ATOM 1310 N SER A 81 -26.372 -13.873 -11.266 1.00 1.01 N ATOM 1311 CA SER A 81 -27.279 -14.757 -10.527 1.00 1.23 C ATOM 1312 C SER A 81 -27.385 -14.381 -9.039 1.00 1.40 C ATOM 1313 O SER A 81 -28.161 -14.991 -8.301 1.00 1.92 O ATOM 1314 CB SER A 81 -26.800 -16.214 -10.682 1.00 1.52 C ATOM 1315 OG SER A 81 -25.430 -16.277 -11.087 1.00 2.18 O ATOM 0 H SER A 81 -25.517 -14.336 -11.573 1.00 1.01 H new ATOM 0 HA SER A 81 -28.278 -14.643 -10.948 1.00 1.23 H new ATOM 0 HB2 SER A 81 -26.925 -16.741 -9.736 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.421 -16.726 -11.417 1.00 1.52 H new ATOM 0 HG SER A 81 -25.364 -16.743 -11.947 1.00 2.18 H new ATOM 1321 N ASP A 82 -26.622 -13.370 -8.602 1.00 1.33 N ATOM 1322 CA ASP A 82 -26.659 -12.912 -7.199 1.00 1.76 C ATOM 1323 C ASP A 82 -27.920 -12.061 -6.945 1.00 1.31 C ATOM 1324 O ASP A 82 -28.248 -11.749 -5.800 1.00 1.74 O ATOM 1325 CB ASP A 82 -25.394 -12.100 -6.868 1.00 2.76 C ATOM 1326 CG ASP A 82 -25.234 -11.913 -5.358 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -25.314 -12.914 -4.616 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -25.033 -10.765 -4.910 1.00 3.98 O ATOM 0 H ASP A 82 -25.972 -12.853 -9.194 1.00 1.33 H new ATOM 0 HA ASP A 82 -26.692 -13.787 -6.550 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -24.517 -12.609 -7.269 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -25.447 -11.126 -7.354 1.00 2.76 H new ATOM 1333 N GLY A 83 -28.624 -11.704 -8.023 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.850 -10.906 -7.937 1.00 1.53 C ATOM 1335 C GLY A 83 -29.546 -9.410 -7.977 1.00 1.31 C ATOM 1336 O GLY A 83 -30.161 -8.630 -7.218 1.00 1.88 O ATOM 0 H GLY A 83 -28.362 -11.959 -8.975 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.514 -11.166 -8.762 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.379 -11.147 -7.015 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.615 -9.018 -8.875 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.217 -7.617 -9.052 1.00 0.71 C ATOM 1342 C ASN A 84 -27.819 -7.398 -10.514 1.00 0.62 C ATOM 1343 O ASN A 84 -27.521 -8.363 -11.239 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.023 -7.261 -8.137 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.453 -7.003 -6.689 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.539 -6.491 -6.427 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.587 -7.345 -5.742 1.00 1.32 N ATOM 0 H ASN A 84 -28.125 -9.666 -9.491 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.057 -6.975 -8.785 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.297 -8.074 -8.158 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.521 -6.376 -8.527 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.815 -7.185 -4.761 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.694 -7.768 -5.996 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.794 -6.134 -10.939 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.418 -5.770 -12.309 1.00 0.55 C ATOM 1356 C GLU A 85 -26.541 -4.511 -12.269 1.00 0.47 C ATOM 1357 O GLU A 85 -26.848 -3.545 -11.560 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.692 -5.591 -13.183 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.848 -4.184 -13.773 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.146 -4.086 -14.569 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.797 -5.128 -14.789 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.532 -2.963 -14.957 1.00 1.43 O ATOM 0 H GLU A 85 -28.032 -5.337 -10.349 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.834 -6.566 -12.770 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.667 -6.315 -13.997 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.570 -5.821 -12.579 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.847 -3.444 -12.973 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.999 -3.956 -14.418 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.431 -4.541 -13.009 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.482 -3.421 -13.043 1.00 0.31 C ATOM 1371 C TYR A 86 -24.068 -3.079 -14.476 1.00 0.29 C ATOM 1372 O TYR A 86 -24.290 -3.857 -15.410 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.217 -3.790 -12.248 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.485 -4.379 -10.881 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.769 -3.546 -9.808 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.474 -5.752 -10.704 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.040 -4.089 -8.564 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.740 -6.292 -9.458 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.926 -5.449 -8.373 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.306 -5.988 -7.158 1.00 0.77 O ATOM 0 H TYR A 86 -25.164 -5.331 -13.596 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.978 -2.556 -12.602 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.633 -4.504 -12.829 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.603 -2.897 -12.131 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.779 -2.475 -9.944 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.258 -6.402 -11.539 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.339 -3.450 -7.747 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.802 -7.363 -9.332 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.169 -6.958 -7.173 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.409 -1.927 -14.615 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.871 -1.448 -15.892 1.00 0.23 C ATOM 1392 C LEU A 87 -21.355 -1.401 -15.757 1.00 0.22 C ATOM 1393 O LEU A 87 -20.844 -0.808 -14.801 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.371 -0.035 -16.229 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.892 0.081 -16.227 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.314 1.460 -16.742 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.531 -1.024 -17.068 1.00 0.38 C ATOM 0 H LEU A 87 -23.231 -1.293 -13.836 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.197 -2.118 -16.687 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.958 0.671 -15.508 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.992 0.253 -17.210 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.243 -0.036 -15.202 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.402 1.533 -16.737 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.895 2.233 -16.097 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.946 1.597 -17.759 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.615 -0.916 -17.048 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.178 -0.949 -18.096 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.256 -1.997 -16.660 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.640 -2.020 -16.687 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.176 -2.045 -16.654 1.00 0.19 C ATOM 1411 C PHE A 88 -18.601 -1.362 -17.890 1.00 0.20 C ATOM 1412 O PHE A 88 -18.946 -1.717 -19.014 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.682 -3.489 -16.569 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.852 -4.092 -15.191 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.960 -3.778 -14.177 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.897 -4.964 -14.939 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.111 -4.335 -12.920 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.049 -5.521 -13.680 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.157 -5.208 -12.671 1.00 0.22 C ATOM 0 H PHE A 88 -21.049 -2.515 -17.479 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.837 -1.501 -15.772 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.224 -4.096 -17.294 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.629 -3.524 -16.847 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.145 -3.096 -14.369 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.595 -5.210 -15.725 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.413 -4.089 -12.133 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.865 -6.201 -13.486 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.276 -5.644 -11.690 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.720 -0.381 -17.677 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.089 0.357 -18.781 1.00 0.26 C ATOM 1431 C GLN A 89 -15.644 -0.098 -18.975 1.00 0.22 C ATOM 1432 O GLN A 89 -14.836 -0.059 -18.037 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.128 1.871 -18.525 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.829 2.657 -19.813 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.398 4.089 -19.501 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.109 5.042 -19.815 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.224 4.243 -18.905 1.00 1.63 N ATOM 0 H GLN A 89 -17.425 -0.077 -16.749 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.653 0.144 -19.689 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.109 2.153 -18.142 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.399 2.132 -17.758 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.043 2.153 -20.375 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.716 2.672 -20.447 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.665 3.426 -18.661 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.880 5.179 -18.690 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.333 -0.505 -20.205 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.990 -0.953 -20.588 1.00 0.24 C ATOM 1448 C ALA A 90 -13.229 0.204 -21.241 1.00 0.27 C ATOM 1449 O ALA A 90 -13.834 1.202 -21.650 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.101 -2.128 -21.561 1.00 0.29 C ATOM 0 H ALA A 90 -16.008 -0.534 -20.970 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.446 -1.277 -19.701 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.103 -2.461 -21.845 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.634 -2.949 -21.081 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.646 -1.813 -22.451 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.905 0.084 -21.339 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.081 1.143 -21.944 1.00 0.44 C ATOM 1458 C LYS A 91 -11.025 1.005 -23.471 1.00 0.49 C ATOM 1459 O LYS A 91 -11.057 2.002 -24.190 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.665 1.142 -21.339 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.821 -0.068 -21.764 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.684 -0.310 -20.769 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.579 -1.190 -21.361 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.044 -2.590 -21.584 1.00 2.29 N ATOM 0 H LYS A 91 -11.379 -0.726 -21.012 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.550 2.101 -21.718 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.151 2.056 -21.635 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.742 1.158 -20.252 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.452 -0.955 -21.825 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.410 0.100 -22.759 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.260 0.647 -20.463 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.082 -0.783 -19.872 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.243 -0.764 -22.306 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.720 -1.195 -20.690 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.221 -3.211 -21.723 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.585 -2.912 -20.756 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.650 -2.624 -22.429 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.949 -0.236 -23.955 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.886 -0.526 -25.398 1.00 0.66 C ATOM 1480 C ASP A 92 -11.950 -1.565 -25.780 1.00 0.59 C ATOM 1481 O ASP A 92 -12.410 -2.336 -24.929 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.478 -1.040 -25.754 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.276 -1.093 -27.265 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.835 -0.083 -27.850 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.577 -2.138 -27.870 1.00 2.01 O ATOM 0 H ASP A 92 -10.929 -1.068 -23.365 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.086 0.387 -25.959 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.727 -0.389 -25.307 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.333 -2.034 -25.330 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.328 -1.591 -27.068 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.333 -2.548 -27.576 1.00 0.63 C ATOM 1492 C ASP A 93 -12.814 -3.991 -27.461 1.00 0.49 C ATOM 1493 O ASP A 93 -13.594 -4.917 -27.236 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.761 -2.201 -29.027 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.773 -2.696 -30.086 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -12.851 -3.878 -30.480 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -11.933 -1.897 -30.544 1.00 2.21 O ATOM 0 H ASP A 93 -11.955 -0.962 -27.779 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.225 -2.467 -26.955 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.741 -2.636 -29.223 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.868 -1.120 -29.118 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.487 -4.162 -27.569 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.848 -5.480 -27.428 1.00 0.41 C ATOM 1504 C GLU A 94 -11.097 -6.003 -26.009 1.00 0.36 C ATOM 1505 O GLU A 94 -11.481 -7.157 -25.810 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.340 -5.361 -27.683 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.021 -5.377 -29.183 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.903 -6.806 -29.710 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.628 -7.715 -28.904 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -9.095 -7.028 -30.924 1.00 2.59 O ATOM 0 H GLU A 94 -10.834 -3.401 -27.754 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.271 -6.173 -28.155 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.967 -4.437 -27.240 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.821 -6.183 -27.191 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.803 -4.849 -29.729 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.089 -4.842 -29.364 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.909 -5.111 -25.032 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.133 -5.412 -23.613 1.00 0.29 C ATOM 1519 C GLU A 95 -12.599 -5.781 -23.388 1.00 0.24 C ATOM 1520 O GLU A 95 -12.913 -6.804 -22.778 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.782 -4.177 -22.778 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.316 -4.551 -21.373 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.078 -3.290 -20.552 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.962 -2.408 -20.533 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.997 -3.165 -19.949 1.00 1.30 O ATOM 0 H GLU A 95 -10.596 -4.155 -25.203 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.504 -6.251 -23.314 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.999 -3.610 -23.281 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.653 -3.526 -22.710 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.065 -5.176 -20.887 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.399 -5.137 -21.429 1.00 0.42 H new ATOM 1532 N MET A 96 -13.483 -4.924 -23.906 1.00 0.24 N ATOM 1533 CA MET A 96 -14.940 -5.107 -23.803 1.00 0.22 C ATOM 1534 C MET A 96 -15.366 -6.490 -24.324 1.00 0.22 C ATOM 1535 O MET A 96 -16.139 -7.193 -23.673 1.00 0.23 O ATOM 1536 CB MET A 96 -15.656 -3.999 -24.594 1.00 0.26 C ATOM 1537 CG MET A 96 -17.144 -3.911 -24.236 1.00 0.39 C ATOM 1538 SD MET A 96 -18.163 -3.367 -25.620 1.00 0.94 S ATOM 1539 CE MET A 96 -17.843 -4.659 -26.838 1.00 0.77 C ATOM 0 H MET A 96 -13.211 -4.080 -24.411 1.00 0.24 H new ATOM 0 HA MET A 96 -15.222 -5.045 -22.752 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.177 -3.041 -24.392 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.550 -4.189 -25.662 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.490 -4.888 -23.897 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.272 -3.221 -23.402 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.713 -4.773 -27.484 1.00 0.77 H new ATOM 0 HE2 MET A 96 -16.977 -4.385 -27.440 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.645 -5.601 -26.326 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.842 -6.875 -25.494 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.153 -8.179 -26.107 1.00 0.28 C ATOM 1551 C ASN A 97 -14.650 -9.328 -25.220 1.00 0.26 C ATOM 1552 O ASN A 97 -15.354 -10.315 -25.011 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.512 -8.268 -27.506 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.216 -9.315 -28.380 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.388 -9.633 -28.174 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.504 -9.849 -29.360 1.00 1.24 N ATOM 0 H ASN A 97 -14.198 -6.302 -26.039 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.235 -8.269 -26.204 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.561 -7.294 -27.993 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.457 -8.523 -27.409 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.924 -10.547 -29.973 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.536 -9.562 -29.502 1.00 1.24 H new ATOM 1563 N THR A 98 -13.428 -9.182 -24.690 1.00 0.25 N ATOM 1564 CA THR A 98 -12.825 -10.200 -23.813 1.00 0.27 C ATOM 1565 C THR A 98 -13.653 -10.375 -22.524 1.00 0.23 C ATOM 1566 O THR A 98 -13.821 -11.492 -22.035 1.00 0.27 O ATOM 1567 CB THR A 98 -11.371 -9.820 -23.471 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.697 -9.340 -24.629 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.615 -11.020 -22.896 1.00 0.39 C ATOM 0 H THR A 98 -12.835 -8.368 -24.853 1.00 0.25 H new ATOM 0 HA THR A 98 -12.822 -11.151 -24.346 1.00 0.27 H new ATOM 0 HB THR A 98 -11.399 -9.031 -22.720 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.831 -8.372 -24.708 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.591 -10.727 -22.662 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.111 -11.361 -21.987 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.603 -11.827 -23.628 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.174 -9.264 -21.987 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.988 -9.288 -20.763 1.00 0.20 C ATOM 1579 C TRP A 99 -16.317 -10.012 -21.007 1.00 0.21 C ATOM 1580 O TRP A 99 -16.670 -10.928 -20.269 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.253 -7.855 -20.268 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.116 -7.286 -19.460 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.366 -6.183 -19.761 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.608 -7.791 -18.206 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.433 -6.004 -18.780 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.550 -6.959 -17.820 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.944 -8.865 -17.380 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.835 -7.171 -16.655 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.234 -9.083 -16.209 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.187 -8.242 -15.849 1.00 0.29 C ATOM 0 H TRP A 99 -14.046 -8.333 -22.383 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.433 -9.831 -19.997 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.439 -7.210 -21.127 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.159 -7.849 -19.662 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.491 -5.556 -20.632 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.741 -5.254 -18.769 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.755 -9.524 -17.652 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -11.021 -6.517 -16.380 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.497 -9.914 -15.571 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.644 -8.425 -14.934 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.046 -9.603 -22.055 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.340 -10.217 -22.405 1.00 0.24 C ATOM 1603 C ILE A 100 -18.179 -11.728 -22.644 1.00 0.28 C ATOM 1604 O ILE A 100 -19.003 -12.527 -22.197 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.934 -9.523 -23.647 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.352 -8.088 -23.300 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.138 -10.297 -24.201 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.856 -7.328 -24.533 1.00 0.29 C ATOM 0 H ILE A 100 -16.762 -8.847 -22.678 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.028 -10.084 -21.571 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.163 -9.501 -24.417 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.135 -8.111 -22.542 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.504 -7.557 -22.867 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.532 -9.780 -25.076 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.825 -11.302 -24.484 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.913 -10.360 -23.437 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.142 -6.316 -24.245 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.064 -7.282 -25.281 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.720 -7.844 -24.951 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.102 -12.114 -23.331 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.819 -13.528 -23.619 1.00 0.35 C ATOM 1622 C GLN A 101 -16.442 -14.284 -22.342 1.00 0.36 C ATOM 1623 O GLN A 101 -16.958 -15.374 -22.081 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.682 -13.636 -24.641 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.103 -13.069 -26.004 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.749 -14.154 -26.865 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.906 -14.519 -26.658 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.010 -14.662 -27.838 1.00 1.76 N ATOM 0 H GLN A 101 -16.406 -11.466 -23.701 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.722 -13.979 -24.031 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.808 -13.097 -24.275 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.389 -14.680 -24.754 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.804 -12.247 -25.860 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.233 -12.660 -26.518 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.055 -14.333 -27.978 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -16.396 -15.382 -28.448 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.551 -13.697 -21.539 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.110 -14.310 -20.275 1.00 0.37 C ATOM 1639 C ALA A 102 -16.288 -14.469 -19.304 1.00 0.38 C ATOM 1640 O ALA A 102 -16.328 -15.415 -18.517 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.014 -13.451 -19.636 1.00 0.38 C ATOM 0 H ALA A 102 -15.118 -12.796 -21.739 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.711 -15.301 -20.492 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.691 -13.909 -18.701 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.165 -13.379 -20.316 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.404 -12.453 -19.435 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.248 -13.545 -19.384 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.444 -13.567 -18.538 1.00 0.38 C ATOM 1649 C ILE A 103 -19.390 -14.692 -18.987 1.00 0.47 C ATOM 1650 O ILE A 103 -19.978 -15.378 -18.148 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.136 -12.193 -18.586 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.344 -11.183 -17.743 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.585 -12.263 -18.090 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.517 -9.748 -18.252 1.00 0.35 C ATOM 0 H ILE A 103 -17.219 -12.761 -20.036 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.159 -13.768 -17.505 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.159 -11.870 -19.627 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.672 -11.241 -16.705 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.287 -11.448 -17.759 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -21.035 -11.272 -18.141 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.151 -12.951 -18.717 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.600 -12.616 -17.059 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.939 -9.068 -17.626 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.164 -9.682 -19.281 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.571 -9.472 -18.211 1.00 0.35 H new ATOM 1666 N SER A 104 -19.513 -14.900 -20.307 1.00 0.53 N ATOM 1667 CA SER A 104 -20.366 -15.965 -20.859 1.00 0.66 C ATOM 1668 C SER A 104 -19.846 -17.347 -20.431 1.00 0.72 C ATOM 1669 O SER A 104 -20.628 -18.249 -20.119 1.00 0.89 O ATOM 1670 CB SER A 104 -20.400 -15.867 -22.389 1.00 0.81 C ATOM 1671 OG SER A 104 -21.129 -14.718 -22.806 1.00 1.05 O ATOM 0 H SER A 104 -19.032 -14.344 -21.014 1.00 0.53 H new ATOM 0 HA SER A 104 -21.377 -15.839 -20.470 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.383 -15.818 -22.777 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.858 -16.764 -22.805 1.00 0.81 H new ATOM 0 HG SER A 104 -20.587 -13.915 -22.658 1.00 1.05 H new ATOM 1677 N SER A 105 -18.521 -17.493 -20.405 1.00 0.80 N ATOM 1678 CA SER A 105 -17.872 -18.742 -19.998 1.00 1.13 C ATOM 1679 C SER A 105 -17.944 -18.898 -18.470 1.00 1.23 C ATOM 1680 O SER A 105 -18.296 -19.968 -17.960 1.00 1.61 O ATOM 1681 CB SER A 105 -16.414 -18.742 -20.460 1.00 1.48 C ATOM 1682 OG SER A 105 -16.322 -18.488 -21.858 1.00 1.63 O ATOM 0 H SER A 105 -17.869 -16.753 -20.664 1.00 0.80 H new ATOM 0 HA SER A 105 -18.390 -19.582 -20.461 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.855 -17.984 -19.911 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.956 -19.704 -20.231 1.00 1.48 H new ATOM 0 HG SER A 105 -16.490 -17.538 -22.030 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.624 -17.809 -17.756 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.650 -17.762 -16.288 1.00 1.59 C ATOM 1690 C ALA A 106 -16.616 -18.712 -15.676 1.00 2.40 C ATOM 1691 O ALA A 106 -15.477 -18.767 -16.187 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.058 -18.079 -15.771 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.936 -19.394 -14.682 1.00 3.05 O ATOM 0 H ALA A 106 -17.338 -16.929 -18.185 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.384 -16.751 -15.979 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.063 -18.041 -14.682 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.763 -17.346 -16.163 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.351 -19.076 -16.100 1.00 1.90 H new