USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 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 104 SER OG : rot -89:sc= 1.22 USER MOD Set 1.2: A 105 SER OG : rot 82:sc= 0.47 USER MOD Set 2.1: A 84 ASN : amide:sc= -0.407 K(o=-0.88,f=-2.7) USER MOD Set 2.2: A 86 TYR OH : rot 30:sc= -0.476 USER MOD Set 3.1: A 32 ASN : amide:sc= 0.942 K(o=3.4,f=-0.91) USER MOD Set 3.2: A 33 GLN : amide:sc= 1.18 K(o=3.4,f=-0.27) USER MOD Set 3.3: A 59 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.04) USER MOD Set 4.1: A 42 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.901) USER MOD Set 4.2: A 43 SER OG : rot -120:sc= -0.594 USER MOD Set 5.1: A 24 HIS : no HE2:sc= 0.558 K(o=1.2,f=-0.49) USER MOD Set 5.2: A 50 TYR OH : rot 163:sc= 0.66 USER MOD Set 6.1: A 9 HIS :FLIP no HD1:sc= 0.132 F(o=-1!,f=0.64) USER MOD Set 6.2: A 22 SER OG : rot 15:sc= 0.504 USER MOD Set 7.1: A 8 LYS NZ :NH3+ 158:sc= 2.29 (180deg=0.13) USER MOD Set 7.2: A 69 TYR OH : rot 15:sc= 1.05 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 25 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 28 CYS SG : rot -82:sc= -0.387 USER MOD Single : A 31 ASN : amide:sc=0.000866 X(o=0.00087,f=0) USER MOD Single : A 35 MET CE :methyl -141:sc= -0.112 (180deg=-3.48!) 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 46 SER OG : rot 88:sc= 0.147 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= 0.0178 USER MOD Single : A 63 CYS SG : rot 170:sc= -0.952 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.141 F(o=-0.92,f=-0.14) USER MOD Single : A 77 LYS NZ :NH3+ 145:sc= 2.46 (180deg=1.94) USER MOD Single : A 81 SER OG : rot 149:sc= 1.26 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= -0.896 (180deg=-0.959) USER MOD Single : A 96 MET CE :methyl -113:sc= -0.27 (180deg=-3.84!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 98 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.706 -10.604 -15.542 1.00 0.51 N ATOM 21 CA GLU A 2 -8.344 -9.752 -14.404 1.00 0.37 C ATOM 22 C GLU A 2 -7.863 -8.391 -14.925 1.00 0.34 C ATOM 23 O GLU A 2 -7.029 -8.322 -15.831 1.00 0.48 O ATOM 24 CB GLU A 2 -7.259 -10.482 -13.566 1.00 0.53 C ATOM 25 CG GLU A 2 -6.321 -9.559 -12.766 1.00 0.96 C ATOM 26 CD GLU A 2 -4.878 -9.718 -13.244 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.542 -9.218 -14.333 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.078 -10.358 -12.532 1.00 2.09 O ATOM 0 HA GLU A 2 -9.203 -9.568 -13.758 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -7.754 -11.161 -12.872 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.656 -11.095 -14.236 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.636 -8.522 -12.881 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.387 -9.796 -11.704 1.00 0.96 H new ATOM 35 N GLY A 3 -8.395 -7.309 -14.349 1.00 0.25 N ATOM 36 CA GLY A 3 -8.019 -5.949 -14.749 1.00 0.28 C ATOM 37 C GLY A 3 -8.998 -4.914 -14.193 1.00 0.22 C ATOM 38 O GLY A 3 -10.030 -5.262 -13.609 1.00 0.22 O ATOM 0 H GLY A 3 -9.089 -7.348 -13.602 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.013 -5.728 -14.393 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.994 -5.882 -15.837 1.00 0.28 H new ATOM 42 N PHE A 4 -8.663 -3.634 -14.380 1.00 0.24 N ATOM 43 CA PHE A 4 -9.505 -2.525 -13.905 1.00 0.21 C ATOM 44 C PHE A 4 -10.740 -2.363 -14.798 1.00 0.22 C ATOM 45 O PHE A 4 -10.701 -2.664 -15.992 1.00 0.27 O ATOM 46 CB PHE A 4 -8.705 -1.214 -13.888 1.00 0.23 C ATOM 47 CG PHE A 4 -7.950 -0.990 -12.594 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.640 -0.773 -11.409 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.564 -1.003 -12.590 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.944 -0.572 -10.227 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.871 -0.800 -11.409 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.576 -0.575 -10.221 1.00 0.41 C ATOM 0 H PHE A 4 -7.813 -3.337 -14.858 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.831 -2.758 -12.891 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.998 -1.217 -14.717 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.386 -0.379 -14.053 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.720 -0.761 -11.408 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.024 -1.172 -13.510 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.485 -0.412 -9.306 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.791 -0.815 -11.404 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.040 -0.404 -9.299 1.00 0.41 H new ATOM 62 N LEU A 5 -11.824 -1.891 -14.200 1.00 0.19 N ATOM 63 CA LEU A 5 -13.092 -1.685 -14.900 1.00 0.21 C ATOM 64 C LEU A 5 -13.910 -0.607 -14.181 1.00 0.20 C ATOM 65 O LEU A 5 -13.897 -0.528 -12.948 1.00 0.21 O ATOM 66 CB LEU A 5 -13.907 -2.997 -14.909 1.00 0.23 C ATOM 67 CG LEU A 5 -13.856 -3.737 -16.250 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.627 -5.056 -16.152 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.415 -2.872 -17.377 1.00 0.31 C ATOM 0 H LEU A 5 -11.853 -1.638 -13.212 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.881 -1.374 -15.923 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.531 -3.655 -14.125 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.946 -2.772 -14.666 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.813 -3.954 -16.482 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.585 -5.574 -17.110 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.179 -5.683 -15.380 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.667 -4.852 -15.896 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.366 -3.422 -18.317 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.452 -2.617 -17.159 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.826 -1.959 -17.461 1.00 0.31 H new ATOM 81 N ASN A 6 -14.671 0.176 -14.943 1.00 0.22 N ATOM 82 CA ASN A 6 -15.556 1.198 -14.368 1.00 0.23 C ATOM 83 C ASN A 6 -16.881 0.506 -14.065 1.00 0.22 C ATOM 84 O ASN A 6 -17.396 -0.215 -14.914 1.00 0.26 O ATOM 85 CB ASN A 6 -15.742 2.380 -15.342 1.00 0.28 C ATOM 86 CG ASN A 6 -15.274 3.693 -14.703 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.902 4.203 -13.776 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.170 4.242 -15.190 1.00 1.24 N ATOM 0 H ASN A 6 -14.696 0.125 -15.961 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.129 1.621 -13.459 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.179 2.195 -16.257 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.791 2.462 -15.625 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.817 5.114 -14.795 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.674 3.793 -15.959 1.00 1.24 H new ATOM 95 N ARG A 7 -17.394 0.665 -12.845 1.00 0.23 N ATOM 96 CA ARG A 7 -18.624 -0.012 -12.421 1.00 0.24 C ATOM 97 C ARG A 7 -19.691 0.975 -11.942 1.00 0.25 C ATOM 98 O ARG A 7 -19.477 1.711 -10.978 1.00 0.32 O ATOM 99 CB ARG A 7 -18.273 -0.991 -11.290 1.00 0.28 C ATOM 100 CG ARG A 7 -19.434 -1.929 -10.948 1.00 0.34 C ATOM 101 CD ARG A 7 -18.993 -3.010 -9.949 1.00 0.54 C ATOM 102 NE ARG A 7 -19.795 -2.955 -8.722 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.264 -3.156 -7.515 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.963 -4.385 -7.120 1.00 1.46 N ATOM 105 NH2 ARG A 7 -19.021 -2.123 -6.721 1.00 1.71 N ATOM 0 H ARG A 7 -16.976 1.259 -12.129 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.041 -0.541 -13.278 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.405 -1.583 -11.582 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.990 -0.428 -10.401 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.259 -1.354 -10.527 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.806 -2.400 -11.858 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.091 -3.994 -10.407 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.939 -2.875 -9.705 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.793 -2.756 -8.794 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.137 -5.177 -7.739 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.557 -4.539 -6.197 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -19.240 -1.177 -7.033 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -18.615 -2.274 -5.798 1.00 1.71 H new ATOM 119 N LYS A 8 -20.855 0.939 -12.596 1.00 0.27 N ATOM 120 CA LYS A 8 -22.003 1.776 -12.235 1.00 0.29 C ATOM 121 C LYS A 8 -23.076 0.864 -11.652 1.00 0.29 C ATOM 122 O LYS A 8 -23.694 0.080 -12.382 1.00 0.38 O ATOM 123 CB LYS A 8 -22.557 2.499 -13.465 1.00 0.36 C ATOM 124 CG LYS A 8 -23.411 3.714 -13.084 1.00 0.37 C ATOM 125 CD LYS A 8 -24.501 3.985 -14.131 1.00 0.50 C ATOM 126 CE LYS A 8 -25.725 3.073 -13.942 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.887 3.515 -14.774 1.00 1.02 N ATOM 0 H LYS A 8 -21.029 0.327 -13.393 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.696 2.531 -11.512 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.730 2.822 -14.098 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.157 1.805 -14.053 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.873 3.545 -12.111 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.773 4.592 -12.985 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.813 5.027 -14.067 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.089 3.836 -15.129 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.459 2.050 -14.206 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.013 3.066 -12.891 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.535 2.715 -14.918 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -27.390 4.285 -14.287 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.545 3.854 -15.696 1.00 1.02 H new ATOM 141 N HIS A 9 -23.293 0.945 -10.345 1.00 0.43 N ATOM 142 CA HIS A 9 -24.291 0.106 -9.674 1.00 0.52 C ATOM 143 C HIS A 9 -25.695 0.706 -9.814 1.00 0.58 C ATOM 144 O HIS A 9 -26.111 1.567 -9.039 1.00 0.73 O ATOM 145 CB HIS A 9 -23.921 -0.131 -8.190 1.00 0.68 C ATOM 146 CG HIS A 9 -23.573 1.101 -7.395 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.475 2.415 -7.731 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.239 1.056 -6.063 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -23.082 3.112 -6.604 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -22.950 2.251 -5.608 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.794 1.582 -9.724 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.296 -0.867 -10.166 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.758 -0.631 -7.702 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.074 -0.816 -8.151 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -23.217 0.154 -5.469 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.912 4.177 -6.546 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -22.672 2.477 -4.653 1.00 1.75 H new ATOM 158 N GLU A 10 -26.419 0.223 -10.820 1.00 0.60 N ATOM 159 CA GLU A 10 -27.790 0.660 -11.104 1.00 0.73 C ATOM 160 C GLU A 10 -28.730 0.094 -10.038 1.00 0.83 C ATOM 161 O GLU A 10 -29.530 0.818 -9.443 1.00 1.00 O ATOM 162 CB GLU A 10 -28.196 0.151 -12.497 1.00 0.79 C ATOM 163 CG GLU A 10 -29.046 1.167 -13.258 1.00 1.28 C ATOM 164 CD GLU A 10 -29.106 0.796 -14.734 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.700 -0.250 -15.067 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.569 1.560 -15.565 1.00 1.52 O ATOM 0 H GLU A 10 -26.073 -0.486 -11.466 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.851 1.748 -11.087 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.300 -0.075 -13.075 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.752 -0.781 -12.394 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.053 1.196 -12.841 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.624 2.165 -13.143 1.00 1.28 H new ATOM 173 N TRP A 11 -28.590 -1.207 -9.800 1.00 0.82 N ATOM 174 CA TRP A 11 -29.376 -1.927 -8.809 1.00 0.96 C ATOM 175 C TRP A 11 -28.431 -2.839 -8.025 1.00 0.94 C ATOM 176 O TRP A 11 -27.922 -3.831 -8.556 1.00 0.84 O ATOM 177 CB TRP A 11 -30.484 -2.740 -9.510 1.00 1.08 C ATOM 178 CG TRP A 11 -31.494 -3.320 -8.562 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.671 -2.755 -8.173 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.408 -4.586 -7.880 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.293 -3.593 -7.295 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.553 -4.714 -7.091 1.00 1.51 C ATOM 183 CE3 TRP A 11 -30.469 -5.614 -7.862 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -32.777 -5.824 -6.294 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -30.685 -6.730 -7.069 1.00 1.35 C ATOM 186 CH2 TRP A 11 -31.827 -6.833 -6.289 1.00 1.53 C ATOM 0 H TRP A 11 -27.920 -1.795 -10.296 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.861 -1.234 -8.122 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -30.997 -2.098 -10.226 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.025 -3.549 -10.079 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.050 -1.800 -8.505 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.192 -3.404 -6.852 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -29.575 -5.542 -8.464 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -33.670 -5.901 -5.691 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -29.957 -7.527 -7.058 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -31.977 -7.707 -5.672 1.00 1.53 H new ATOM 353 N SER A 22 -23.119 6.148 -9.094 1.00 1.32 N ATOM 354 CA SER A 22 -21.706 6.536 -9.115 1.00 0.74 C ATOM 355 C SER A 22 -20.885 5.588 -9.998 1.00 0.68 C ATOM 356 O SER A 22 -21.093 4.373 -9.986 1.00 1.69 O ATOM 357 CB SER A 22 -21.152 6.531 -7.680 1.00 1.62 C ATOM 358 OG SER A 22 -22.154 6.919 -6.740 1.00 1.86 O ATOM 0 HA SER A 22 -21.628 7.539 -9.535 1.00 0.74 H new ATOM 0 HB2 SER A 22 -20.783 5.535 -7.433 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.303 7.211 -7.612 1.00 1.62 H new ATOM 0 HG SER A 22 -23.036 6.874 -7.165 1.00 1.86 H new ATOM 364 N TRP A 23 -19.941 6.162 -10.743 1.00 0.69 N ATOM 365 CA TRP A 23 -19.048 5.408 -11.627 1.00 0.41 C ATOM 366 C TRP A 23 -17.729 5.171 -10.892 1.00 0.40 C ATOM 367 O TRP A 23 -16.833 6.021 -10.904 1.00 0.55 O ATOM 368 CB TRP A 23 -18.817 6.198 -12.932 1.00 0.43 C ATOM 369 CG TRP A 23 -19.793 5.853 -14.019 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.819 6.625 -14.489 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.827 4.630 -14.776 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.466 5.942 -15.483 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.889 4.723 -15.686 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.057 3.473 -14.764 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.188 3.693 -16.570 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.346 2.444 -15.641 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.402 2.550 -16.538 1.00 0.31 C ATOM 0 H TRP A 23 -19.772 7.168 -10.751 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.492 4.448 -11.890 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.884 7.265 -12.719 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.805 6.007 -13.289 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.077 7.612 -14.134 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.270 6.296 -16.001 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.234 3.378 -14.071 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.011 3.780 -17.264 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.744 1.547 -15.629 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.613 1.736 -17.216 1.00 0.31 H new ATOM 388 N HIS A 24 -17.634 4.022 -10.226 1.00 0.37 N ATOM 389 CA HIS A 24 -16.455 3.656 -9.441 1.00 0.45 C ATOM 390 C HIS A 24 -15.508 2.756 -10.247 1.00 0.36 C ATOM 391 O HIS A 24 -15.942 1.792 -10.875 1.00 0.34 O ATOM 392 CB HIS A 24 -16.925 2.928 -8.170 1.00 0.61 C ATOM 393 CG HIS A 24 -15.848 2.749 -7.149 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.544 3.682 -6.195 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.995 1.727 -6.926 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.569 3.267 -5.426 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.205 2.065 -5.846 1.00 2.74 N ATOM 0 H HIS A 24 -18.372 3.318 -10.215 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.903 4.559 -9.178 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.747 3.488 -7.724 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.318 1.950 -8.446 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.015 4.582 -6.096 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.940 0.809 -7.492 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.138 3.809 -4.597 1.00 2.98 H new ATOM 405 N ASN A 25 -14.210 3.060 -10.185 1.00 0.37 N ATOM 406 CA ASN A 25 -13.176 2.268 -10.863 1.00 0.35 C ATOM 407 C ASN A 25 -12.741 1.156 -9.906 1.00 0.34 C ATOM 408 O ASN A 25 -12.181 1.432 -8.842 1.00 0.55 O ATOM 409 CB ASN A 25 -11.980 3.169 -11.240 1.00 0.44 C ATOM 410 CG ASN A 25 -11.138 2.546 -12.364 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.256 1.359 -12.671 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.286 3.353 -12.985 1.00 1.49 N ATOM 0 H ASN A 25 -13.845 3.859 -9.666 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.564 1.835 -11.785 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.345 4.146 -11.556 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.354 3.331 -10.362 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.704 2.995 -13.742 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -10.214 4.331 -12.705 1.00 1.49 H new ATOM 419 N VAL A 26 -13.039 -0.091 -10.263 1.00 0.22 N ATOM 420 CA VAL A 26 -12.723 -1.248 -9.418 1.00 0.21 C ATOM 421 C VAL A 26 -11.903 -2.282 -10.191 1.00 0.18 C ATOM 422 O VAL A 26 -11.934 -2.329 -11.424 1.00 0.23 O ATOM 423 CB VAL A 26 -14.040 -1.863 -8.893 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.668 -2.821 -9.911 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.830 -2.573 -7.555 1.00 0.31 C ATOM 0 H VAL A 26 -13.503 -0.331 -11.139 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.117 -0.923 -8.572 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.733 -1.036 -8.739 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.592 -3.231 -9.503 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.887 -2.281 -10.832 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.973 -3.633 -10.123 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.776 -2.994 -7.214 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.100 -3.373 -7.678 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.464 -1.859 -6.817 1.00 0.31 H new ATOM 435 N TYR A 27 -11.185 -3.120 -9.449 1.00 0.16 N ATOM 436 CA TYR A 27 -10.359 -4.181 -10.030 1.00 0.16 C ATOM 437 C TYR A 27 -11.141 -5.493 -9.988 1.00 0.19 C ATOM 438 O TYR A 27 -11.326 -6.084 -8.923 1.00 0.34 O ATOM 439 CB TYR A 27 -9.042 -4.300 -9.250 1.00 0.17 C ATOM 440 CG TYR A 27 -7.932 -4.957 -10.045 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.838 -6.341 -10.095 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.011 -4.183 -10.728 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.828 -6.943 -10.826 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.002 -4.788 -11.461 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.892 -6.148 -11.486 1.00 0.29 C ATOM 446 OH TYR A 27 -4.924 -6.768 -12.240 1.00 0.37 O ATOM 0 H TYR A 27 -11.157 -3.085 -8.430 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.117 -3.946 -11.066 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.719 -3.306 -8.942 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.217 -4.874 -8.340 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.554 -6.949 -9.563 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.078 -3.106 -10.690 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.766 -8.020 -10.884 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.301 -4.181 -12.014 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.341 -6.092 -12.644 1.00 0.37 H new ATOM 456 N CYS A 28 -11.621 -5.929 -11.152 1.00 0.16 N ATOM 457 CA CYS A 28 -12.414 -7.158 -11.263 1.00 0.19 C ATOM 458 C CYS A 28 -11.531 -8.346 -11.657 1.00 0.19 C ATOM 459 O CYS A 28 -10.661 -8.223 -12.519 1.00 0.23 O ATOM 460 CB CYS A 28 -13.522 -6.967 -12.312 1.00 0.23 C ATOM 461 SG CYS A 28 -14.468 -5.452 -12.060 1.00 0.34 S ATOM 0 H CYS A 28 -11.474 -5.447 -12.039 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.860 -7.368 -10.291 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.076 -6.950 -13.306 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.198 -7.822 -12.280 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.380 -5.655 -11.157 1.00 0.34 H new ATOM 467 N VAL A 29 -11.781 -9.497 -11.027 1.00 0.21 N ATOM 468 CA VAL A 29 -11.045 -10.738 -11.301 1.00 0.24 C ATOM 469 C VAL A 29 -12.042 -11.896 -11.334 1.00 0.26 C ATOM 470 O VAL A 29 -12.745 -12.139 -10.350 1.00 0.38 O ATOM 471 CB VAL A 29 -9.976 -10.989 -10.223 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.197 -12.279 -10.516 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.016 -9.804 -10.119 1.00 0.33 C ATOM 0 H VAL A 29 -12.501 -9.597 -10.311 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.536 -10.654 -12.261 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.488 -11.103 -9.267 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.447 -12.435 -9.741 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.885 -13.124 -10.531 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.705 -12.195 -11.485 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.270 -10.006 -9.350 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.518 -9.654 -11.077 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.574 -8.906 -9.856 1.00 0.33 H new ATOM 483 N ILE A 30 -12.114 -12.598 -12.463 1.00 0.28 N ATOM 484 CA ILE A 30 -13.035 -13.728 -12.630 1.00 0.32 C ATOM 485 C ILE A 30 -12.334 -15.039 -12.267 1.00 0.35 C ATOM 486 O ILE A 30 -11.425 -15.481 -12.971 1.00 0.44 O ATOM 487 CB ILE A 30 -13.539 -13.786 -14.083 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.314 -12.511 -14.436 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.420 -15.018 -14.314 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.528 -12.394 -15.941 1.00 0.57 C ATOM 0 H ILE A 30 -11.541 -12.404 -13.284 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.887 -13.588 -11.964 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.668 -13.861 -14.734 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.279 -12.516 -13.928 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.769 -11.639 -14.075 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.761 -15.032 -15.349 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.844 -15.921 -14.109 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.282 -14.979 -13.648 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.080 -11.480 -16.160 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.562 -12.364 -16.445 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.095 -13.255 -16.296 1.00 0.57 H new ATOM 502 N ASN A 31 -12.777 -15.662 -11.175 1.00 0.46 N ATOM 503 CA ASN A 31 -12.220 -16.935 -10.711 1.00 0.58 C ATOM 504 C ASN A 31 -13.253 -18.042 -10.918 1.00 0.71 C ATOM 505 O ASN A 31 -14.012 -18.388 -10.008 1.00 1.20 O ATOM 506 CB ASN A 31 -11.815 -16.836 -9.227 1.00 0.73 C ATOM 507 CG ASN A 31 -10.871 -17.982 -8.857 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.650 -17.840 -8.928 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.430 -19.117 -8.465 1.00 1.47 N ATOM 0 H ASN A 31 -13.529 -15.301 -10.588 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.325 -17.171 -11.287 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.328 -15.879 -9.039 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.704 -16.870 -8.597 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.845 -19.912 -8.209 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.446 -19.196 -8.419 1.00 1.47 H new ATOM 516 N ASN A 32 -13.276 -18.582 -12.131 1.00 0.85 N ATOM 517 CA ASN A 32 -14.195 -19.653 -12.524 1.00 1.00 C ATOM 518 C ASN A 32 -15.645 -19.148 -12.547 1.00 1.00 C ATOM 519 O ASN A 32 -16.033 -18.439 -13.473 1.00 1.97 O ATOM 520 CB ASN A 32 -14.018 -20.881 -11.606 1.00 1.24 C ATOM 521 CG ASN A 32 -14.601 -22.131 -12.264 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.555 -22.722 -11.760 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.027 -22.535 -13.388 1.00 2.52 N ATOM 0 H ASN A 32 -12.651 -18.287 -12.881 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.953 -19.969 -13.539 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.960 -21.034 -11.394 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.511 -20.702 -10.651 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.375 -23.365 -13.868 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.238 -22.016 -13.773 1.00 2.52 H new ATOM 530 N GLN A 33 -16.439 -19.512 -11.537 1.00 0.75 N ATOM 531 CA GLN A 33 -17.846 -19.095 -11.458 1.00 0.67 C ATOM 532 C GLN A 33 -18.073 -18.155 -10.264 1.00 0.56 C ATOM 533 O GLN A 33 -19.213 -18.016 -9.773 1.00 0.71 O ATOM 534 CB GLN A 33 -18.732 -20.343 -11.364 1.00 0.83 C ATOM 535 CG GLN A 33 -18.699 -21.134 -12.681 1.00 1.46 C ATOM 536 CD GLN A 33 -19.113 -22.589 -12.464 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.240 -22.975 -12.769 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.203 -23.401 -11.950 1.00 2.67 N ATOM 0 H GLN A 33 -16.133 -20.096 -10.759 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.112 -18.538 -12.357 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.391 -20.976 -10.545 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.757 -20.051 -11.135 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -19.367 -20.667 -13.405 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.695 -21.098 -13.104 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.278 -23.044 -11.709 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.426 -24.384 -11.794 1.00 2.67 H new ATOM 547 N GLU A 34 -16.979 -17.497 -9.822 1.00 0.53 N ATOM 548 CA GLU A 34 -17.005 -16.546 -8.718 1.00 0.49 C ATOM 549 C GLU A 34 -16.035 -15.408 -9.048 1.00 0.45 C ATOM 550 O GLU A 34 -14.856 -15.654 -9.306 1.00 0.64 O ATOM 551 CB GLU A 34 -16.613 -17.243 -7.400 1.00 0.61 C ATOM 552 CG GLU A 34 -17.510 -16.784 -6.244 1.00 1.25 C ATOM 553 CD GLU A 34 -17.547 -17.832 -5.137 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.498 -18.070 -4.501 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.623 -18.415 -4.900 1.00 1.79 O ATOM 0 H GLU A 34 -16.053 -17.620 -10.232 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.010 -16.145 -8.587 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.693 -18.324 -7.519 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.571 -17.024 -7.165 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.141 -15.840 -5.844 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.520 -16.601 -6.612 1.00 1.25 H new ATOM 562 N MET A 35 -16.527 -14.171 -9.054 1.00 0.36 N ATOM 563 CA MET A 35 -15.697 -13.006 -9.368 1.00 0.35 C ATOM 564 C MET A 35 -15.434 -12.189 -8.108 1.00 0.32 C ATOM 565 O MET A 35 -16.291 -12.101 -7.223 1.00 0.42 O ATOM 566 CB MET A 35 -16.372 -12.142 -10.445 1.00 0.41 C ATOM 567 CG MET A 35 -17.673 -11.505 -9.947 1.00 0.43 C ATOM 568 SD MET A 35 -18.678 -10.837 -11.287 1.00 0.60 S ATOM 569 CE MET A 35 -17.553 -9.650 -12.039 1.00 1.25 C ATOM 0 H MET A 35 -17.500 -13.947 -8.844 1.00 0.36 H new ATOM 0 HA MET A 35 -14.740 -13.353 -9.758 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.684 -11.358 -10.763 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.582 -12.756 -11.321 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.252 -12.250 -9.401 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.436 -10.707 -9.243 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.107 -8.758 -12.331 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.779 -9.378 -11.322 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.091 -10.095 -12.920 1.00 1.25 H new ATOM 579 N GLY A 36 -14.243 -11.601 -8.029 1.00 0.27 N ATOM 580 CA GLY A 36 -13.839 -10.795 -6.880 1.00 0.29 C ATOM 581 C GLY A 36 -13.619 -9.339 -7.278 1.00 0.25 C ATOM 582 O GLY A 36 -12.888 -9.048 -8.231 1.00 0.28 O ATOM 0 H GLY A 36 -13.532 -11.669 -8.758 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.604 -10.852 -6.106 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.922 -11.200 -6.452 1.00 0.29 H new ATOM 586 N PHE A 37 -14.246 -8.431 -6.530 1.00 0.24 N ATOM 587 CA PHE A 37 -14.126 -6.985 -6.755 1.00 0.25 C ATOM 588 C PHE A 37 -13.134 -6.413 -5.742 1.00 0.25 C ATOM 589 O PHE A 37 -13.499 -6.123 -4.599 1.00 0.40 O ATOM 590 CB PHE A 37 -15.495 -6.304 -6.597 1.00 0.30 C ATOM 591 CG PHE A 37 -16.498 -6.717 -7.655 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.254 -6.448 -8.995 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.667 -7.363 -7.285 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.177 -6.824 -9.957 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.586 -7.738 -8.248 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.325 -7.479 -9.597 1.00 0.33 C ATOM 0 H PHE A 37 -14.854 -8.675 -5.748 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.769 -6.800 -7.768 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.899 -6.540 -5.612 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.361 -5.223 -6.636 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.344 -5.945 -9.288 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.860 -7.574 -6.244 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.990 -6.599 -10.997 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.503 -8.230 -7.959 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.027 -7.795 -10.354 1.00 0.33 H new ATOM 606 N TYR A 38 -11.878 -6.286 -6.160 1.00 0.20 N ATOM 607 CA TYR A 38 -10.797 -5.790 -5.299 1.00 0.21 C ATOM 608 C TYR A 38 -10.485 -4.315 -5.561 1.00 0.21 C ATOM 609 O TYR A 38 -11.063 -3.679 -6.449 1.00 0.23 O ATOM 610 CB TYR A 38 -9.540 -6.637 -5.539 1.00 0.23 C ATOM 611 CG TYR A 38 -9.776 -8.121 -5.339 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.820 -8.653 -4.059 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.955 -8.950 -6.433 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.046 -10.007 -3.878 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.178 -10.305 -6.248 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.190 -10.831 -4.978 1.00 0.44 C ATOM 617 OH TYR A 38 -10.460 -12.168 -4.783 1.00 0.55 O ATOM 0 H TYR A 38 -11.576 -6.523 -7.105 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.122 -5.874 -4.262 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.182 -6.466 -6.554 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.752 -6.306 -4.863 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.678 -8.011 -3.203 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -9.921 -8.540 -7.432 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.109 -10.418 -2.881 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.342 -10.947 -7.101 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.535 -12.617 -5.651 1.00 0.55 H new ATOM 627 N LYS A 39 -9.550 -3.786 -4.769 1.00 0.25 N ATOM 628 CA LYS A 39 -9.115 -2.391 -4.870 1.00 0.29 C ATOM 629 C LYS A 39 -8.224 -2.207 -6.104 1.00 0.28 C ATOM 630 O LYS A 39 -8.542 -1.418 -6.996 1.00 0.33 O ATOM 631 CB LYS A 39 -8.361 -1.999 -3.591 1.00 0.36 C ATOM 632 CG LYS A 39 -8.138 -0.488 -3.482 1.00 0.70 C ATOM 633 CD LYS A 39 -6.995 -0.170 -2.507 1.00 1.15 C ATOM 634 CE LYS A 39 -7.444 0.770 -1.385 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.713 2.143 -1.895 1.00 2.51 N ATOM 0 H LYS A 39 -9.072 -4.314 -4.038 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.985 -1.743 -4.979 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.922 -2.344 -2.722 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.397 -2.508 -3.571 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.906 -0.079 -4.465 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.055 -0.005 -3.144 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.619 -1.097 -2.075 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.169 0.286 -3.053 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.344 0.373 -0.915 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.674 0.812 -0.615 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.015 2.753 -1.108 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.847 2.531 -2.321 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.465 2.106 -2.612 1.00 2.51 H new ATOM 649 N ASP A 40 -7.120 -2.959 -6.151 1.00 0.28 N ATOM 650 CA ASP A 40 -6.178 -2.910 -7.277 1.00 0.32 C ATOM 651 C ASP A 40 -5.473 -4.265 -7.441 1.00 0.33 C ATOM 652 O ASP A 40 -5.912 -5.279 -6.890 1.00 0.32 O ATOM 653 CB ASP A 40 -5.170 -1.741 -7.123 1.00 0.38 C ATOM 654 CG ASP A 40 -4.154 -1.957 -5.998 1.00 0.57 C ATOM 655 OD1 ASP A 40 -3.219 -2.764 -6.185 1.00 0.94 O ATOM 656 OD2 ASP A 40 -4.318 -1.356 -4.919 1.00 0.84 O ATOM 0 H ASP A 40 -6.854 -3.615 -5.416 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.740 -2.715 -8.190 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.636 -1.606 -8.063 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.720 -0.819 -6.933 1.00 0.38 H new ATOM 661 N ALA A 41 -4.394 -4.269 -8.223 1.00 0.40 N ATOM 662 CA ALA A 41 -3.614 -5.483 -8.519 1.00 0.45 C ATOM 663 C ALA A 41 -3.040 -6.157 -7.261 1.00 0.45 C ATOM 664 O ALA A 41 -3.079 -7.385 -7.147 1.00 0.47 O ATOM 665 CB ALA A 41 -2.474 -5.143 -9.486 1.00 0.55 C ATOM 0 H ALA A 41 -4.030 -3.430 -8.674 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.302 -6.195 -8.974 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.900 -6.044 -9.702 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -2.889 -4.746 -10.412 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.822 -4.397 -9.032 1.00 0.55 H new ATOM 671 N LYS A 42 -2.499 -5.369 -6.323 1.00 0.46 N ATOM 672 CA LYS A 42 -1.909 -5.927 -5.093 1.00 0.48 C ATOM 673 C LYS A 42 -2.993 -6.488 -4.167 1.00 0.43 C ATOM 674 O LYS A 42 -2.799 -7.519 -3.518 1.00 0.47 O ATOM 675 CB LYS A 42 -1.056 -4.862 -4.375 1.00 0.54 C ATOM 676 CG LYS A 42 -1.892 -3.825 -3.614 1.00 0.77 C ATOM 677 CD LYS A 42 -1.175 -2.472 -3.546 1.00 1.12 C ATOM 678 CE LYS A 42 -1.795 -1.555 -2.489 1.00 1.96 C ATOM 679 NZ LYS A 42 -3.287 -1.593 -2.529 1.00 2.76 N ATOM 0 H LYS A 42 -2.456 -4.352 -6.388 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.256 -6.755 -5.370 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -0.381 -5.357 -3.677 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.435 -4.349 -5.109 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -2.858 -3.703 -4.104 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -2.090 -4.185 -2.604 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -0.121 -2.630 -3.318 1.00 1.12 H new ATOM 0 HD3 LYS A 42 -1.221 -1.987 -4.521 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -1.450 -1.855 -1.500 1.00 1.96 H new ATOM 0 HE3 LYS A 42 -1.453 -0.533 -2.649 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -3.668 -0.721 -2.109 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -3.606 -1.670 -3.516 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -3.628 -2.415 -1.990 1.00 2.76 H new ATOM 693 N SER A 43 -4.140 -5.814 -4.125 1.00 0.38 N ATOM 694 CA SER A 43 -5.275 -6.233 -3.296 1.00 0.38 C ATOM 695 C SER A 43 -5.959 -7.475 -3.889 1.00 0.39 C ATOM 696 O SER A 43 -6.518 -8.294 -3.159 1.00 0.45 O ATOM 697 CB SER A 43 -6.265 -5.076 -3.160 1.00 0.37 C ATOM 698 OG SER A 43 -5.571 -3.836 -3.077 1.00 1.04 O ATOM 0 H SER A 43 -4.312 -4.964 -4.662 1.00 0.38 H new ATOM 0 HA SER A 43 -4.909 -6.502 -2.305 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.941 -5.065 -4.015 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.879 -5.217 -2.270 1.00 0.37 H new ATOM 0 HG SER A 43 -5.787 -3.396 -2.228 1.00 1.04 H new ATOM 704 N ALA A 44 -5.893 -7.605 -5.215 1.00 0.37 N ATOM 705 CA ALA A 44 -6.483 -8.740 -5.933 1.00 0.43 C ATOM 706 C ALA A 44 -5.571 -9.966 -5.857 1.00 0.51 C ATOM 707 O ALA A 44 -6.037 -11.081 -5.624 1.00 0.59 O ATOM 708 CB ALA A 44 -6.719 -8.355 -7.396 1.00 0.43 C ATOM 0 H ALA A 44 -5.430 -6.929 -5.822 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.434 -8.992 -5.464 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.157 -9.199 -7.928 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.398 -7.504 -7.443 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.769 -8.087 -7.860 1.00 0.43 H new ATOM 714 N ALA A 45 -4.269 -9.751 -6.069 1.00 0.54 N ATOM 715 CA ALA A 45 -3.275 -10.833 -6.048 1.00 0.64 C ATOM 716 C ALA A 45 -3.083 -11.411 -4.641 1.00 0.68 C ATOM 717 O ALA A 45 -3.119 -12.627 -4.454 1.00 0.76 O ATOM 718 CB ALA A 45 -1.939 -10.314 -6.583 1.00 0.69 C ATOM 0 H ALA A 45 -3.875 -8.830 -6.259 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.645 -11.636 -6.685 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.203 -11.118 -6.566 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.069 -9.962 -7.606 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.592 -9.492 -5.958 1.00 0.69 H new ATOM 724 N SER A 46 -2.859 -10.535 -3.662 1.00 0.65 N ATOM 725 CA SER A 46 -2.635 -10.961 -2.271 1.00 0.73 C ATOM 726 C SER A 46 -3.935 -11.413 -1.577 1.00 0.74 C ATOM 727 O SER A 46 -3.889 -12.064 -0.532 1.00 0.84 O ATOM 728 CB SER A 46 -1.978 -9.825 -1.486 1.00 0.75 C ATOM 729 OG SER A 46 -0.814 -9.358 -2.168 1.00 1.21 O ATOM 0 H SER A 46 -2.827 -9.525 -3.801 1.00 0.65 H new ATOM 0 HA SER A 46 -1.972 -11.826 -2.293 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.686 -9.006 -1.358 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.708 -10.172 -0.489 1.00 0.75 H new ATOM 0 HG SER A 46 -1.067 -8.660 -2.807 1.00 1.21 H new ATOM 735 N GLY A 47 -5.090 -11.079 -2.159 1.00 0.70 N ATOM 736 CA GLY A 47 -6.388 -11.467 -1.595 1.00 0.74 C ATOM 737 C GLY A 47 -6.756 -10.605 -0.388 1.00 0.75 C ATOM 738 O GLY A 47 -6.818 -11.091 0.746 1.00 0.88 O ATOM 0 H GLY A 47 -5.154 -10.540 -3.022 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.160 -11.374 -2.359 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.358 -12.516 -1.299 1.00 0.74 H new ATOM 742 N ILE A 48 -7.004 -9.325 -0.648 1.00 0.67 N ATOM 743 CA ILE A 48 -7.389 -8.359 0.380 1.00 0.72 C ATOM 744 C ILE A 48 -8.796 -7.849 0.053 1.00 0.75 C ATOM 745 O ILE A 48 -9.021 -7.325 -1.037 1.00 0.75 O ATOM 746 CB ILE A 48 -6.388 -7.192 0.404 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.986 -7.690 0.769 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.824 -6.105 1.390 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.936 -6.600 0.577 1.00 0.97 C ATOM 0 H ILE A 48 -6.944 -8.924 -1.584 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.384 -8.830 1.363 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.364 -6.760 -0.597 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.977 -8.026 1.806 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.733 -8.552 0.152 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.095 -5.294 1.383 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.800 -5.718 1.097 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.887 -6.528 2.393 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.954 -6.989 0.846 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.928 -6.282 -0.466 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.175 -5.748 1.214 1.00 0.97 H new ATOM 761 N PRO A 49 -9.768 -8.007 0.978 1.00 0.84 N ATOM 762 CA PRO A 49 -11.159 -7.562 0.751 1.00 0.93 C ATOM 763 C PRO A 49 -11.297 -6.033 0.699 1.00 0.93 C ATOM 764 O PRO A 49 -10.818 -5.322 1.587 1.00 1.08 O ATOM 765 CB PRO A 49 -11.934 -8.165 1.925 1.00 1.07 C ATOM 766 CG PRO A 49 -10.920 -8.370 2.998 1.00 1.06 C ATOM 767 CD PRO A 49 -9.605 -8.634 2.304 1.00 0.92 C ATOM 0 HA PRO A 49 -11.536 -7.890 -0.218 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.729 -7.497 2.257 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.406 -9.107 1.644 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.850 -7.491 3.638 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.196 -9.209 3.637 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.770 -8.197 2.852 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.406 -9.702 2.219 1.00 0.92 H new ATOM 775 N TYR A 50 -11.956 -5.543 -0.355 1.00 0.87 N ATOM 776 CA TYR A 50 -12.171 -4.105 -0.560 1.00 0.91 C ATOM 777 C TYR A 50 -13.547 -3.677 -0.027 1.00 1.12 C ATOM 778 O TYR A 50 -14.239 -2.864 -0.645 1.00 1.91 O ATOM 779 CB TYR A 50 -12.045 -3.793 -2.062 1.00 0.92 C ATOM 780 CG TYR A 50 -12.176 -2.322 -2.407 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.442 -1.372 -1.713 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.037 -1.920 -3.418 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.572 -0.031 -2.029 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.160 -0.578 -3.731 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.428 0.361 -3.034 1.00 1.17 C ATOM 786 OH TYR A 50 -12.555 1.696 -3.342 1.00 1.34 O ATOM 0 H TYR A 50 -12.355 -6.129 -1.089 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.418 -3.543 -0.008 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.079 -4.153 -2.416 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.810 -4.350 -2.602 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.769 -1.679 -0.926 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.612 -2.655 -3.961 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.002 0.709 -1.487 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.828 -0.266 -4.520 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.972 1.790 -4.224 1.00 1.34 H new ATOM 796 N HIS A 51 -13.932 -4.229 1.135 1.00 1.28 N ATOM 797 CA HIS A 51 -15.218 -3.929 1.798 1.00 1.53 C ATOM 798 C HIS A 51 -16.423 -4.378 0.957 1.00 1.61 C ATOM 799 O HIS A 51 -16.314 -4.627 -0.248 1.00 2.07 O ATOM 800 CB HIS A 51 -15.337 -2.430 2.135 1.00 2.01 C ATOM 801 CG HIS A 51 -14.508 -2.022 3.317 1.00 2.54 C ATOM 802 ND1 HIS A 51 -15.010 -1.962 4.588 1.00 3.19 N ATOM 803 CD2 HIS A 51 -13.207 -1.645 3.437 1.00 2.89 C ATOM 804 CE1 HIS A 51 -14.095 -1.571 5.441 1.00 3.87 C ATOM 805 NE2 HIS A 51 -12.972 -1.367 4.769 1.00 3.74 N ATOM 0 H HIS A 51 -13.359 -4.900 1.646 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.229 -4.499 2.727 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.034 -1.844 1.267 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.382 -2.190 2.332 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -12.487 -1.576 2.635 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -14.232 -1.439 6.504 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -12.085 -1.058 5.167 1.00 3.74 H new ATOM 813 N SER A 52 -17.580 -4.476 1.615 1.00 1.60 N ATOM 814 CA SER A 52 -18.824 -4.880 0.990 1.00 1.96 C ATOM 815 C SER A 52 -18.734 -6.330 0.511 1.00 1.85 C ATOM 816 O SER A 52 -17.987 -7.155 1.054 1.00 2.45 O ATOM 817 CB SER A 52 -19.177 -3.921 -0.173 1.00 2.44 C ATOM 818 OG SER A 52 -18.916 -2.565 0.182 1.00 2.65 O ATOM 0 H SER A 52 -17.672 -4.272 2.610 1.00 1.60 H new ATOM 0 HA SER A 52 -19.625 -4.822 1.727 1.00 1.96 H new ATOM 0 HB2 SER A 52 -18.597 -4.187 -1.056 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.229 -4.035 -0.436 1.00 2.44 H new ATOM 0 HG SER A 52 -19.146 -1.980 -0.570 1.00 2.65 H new ATOM 824 N GLU A 53 -19.503 -6.613 -0.508 1.00 1.45 N ATOM 825 CA GLU A 53 -19.563 -7.938 -1.127 1.00 1.37 C ATOM 826 C GLU A 53 -18.418 -8.076 -2.132 1.00 1.08 C ATOM 827 O GLU A 53 -18.555 -7.715 -3.302 1.00 1.24 O ATOM 828 CB GLU A 53 -20.915 -8.136 -1.830 1.00 1.73 C ATOM 829 CG GLU A 53 -22.057 -8.337 -0.824 1.00 2.39 C ATOM 830 CD GLU A 53 -22.459 -7.014 -0.184 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.748 -6.052 -0.923 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.498 -6.936 1.058 1.00 3.23 O ATOM 0 H GLU A 53 -20.119 -5.929 -0.947 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.462 -8.702 -0.357 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.130 -7.269 -2.455 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.857 -9.000 -2.492 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.917 -8.778 -1.328 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.746 -9.040 -0.051 1.00 2.39 H new ATOM 839 N VAL A 54 -17.280 -8.580 -1.656 1.00 0.84 N ATOM 840 CA VAL A 54 -16.095 -8.756 -2.499 1.00 0.66 C ATOM 841 C VAL A 54 -16.271 -9.967 -3.432 1.00 0.55 C ATOM 842 O VAL A 54 -16.075 -9.839 -4.639 1.00 0.49 O ATOM 843 CB VAL A 54 -14.819 -8.895 -1.636 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.601 -8.359 -2.395 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.975 -8.166 -0.291 1.00 1.34 C ATOM 0 H VAL A 54 -17.152 -8.875 -0.688 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.979 -7.867 -3.119 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.667 -9.954 -1.429 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.711 -8.464 -1.775 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.469 -8.925 -3.317 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.755 -7.307 -2.634 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.062 -8.282 0.294 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.159 -7.107 -0.470 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.814 -8.592 0.259 1.00 1.34 H new ATOM 855 N PRO A 55 -16.655 -11.157 -2.893 1.00 0.62 N ATOM 856 CA PRO A 55 -16.860 -12.371 -3.696 1.00 0.59 C ATOM 857 C PRO A 55 -18.307 -12.496 -4.184 1.00 0.58 C ATOM 858 O PRO A 55 -19.230 -12.652 -3.378 1.00 0.83 O ATOM 859 CB PRO A 55 -16.501 -13.493 -2.719 1.00 0.76 C ATOM 860 CG PRO A 55 -16.735 -12.930 -1.342 1.00 0.87 C ATOM 861 CD PRO A 55 -16.940 -11.432 -1.473 1.00 0.83 C ATOM 0 HA PRO A 55 -16.261 -12.383 -4.606 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.119 -14.374 -2.891 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.463 -13.803 -2.844 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.608 -13.395 -0.884 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.884 -13.142 -0.694 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.957 -11.143 -1.207 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.269 -10.878 -0.816 1.00 0.83 H new ATOM 869 N VAL A 56 -18.499 -12.422 -5.499 1.00 0.41 N ATOM 870 CA VAL A 56 -19.830 -12.519 -6.112 1.00 0.43 C ATOM 871 C VAL A 56 -19.871 -13.710 -7.071 1.00 0.42 C ATOM 872 O VAL A 56 -18.922 -13.951 -7.818 1.00 0.43 O ATOM 873 CB VAL A 56 -20.156 -11.205 -6.847 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.547 -11.258 -7.481 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.063 -10.017 -5.885 1.00 0.63 C ATOM 0 H VAL A 56 -17.742 -12.294 -6.171 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.582 -12.677 -5.339 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.422 -11.076 -7.643 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.750 -10.317 -7.993 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.589 -12.078 -8.198 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.295 -11.417 -6.704 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.296 -9.096 -6.420 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.773 -10.153 -5.070 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.053 -9.955 -5.480 1.00 0.63 H new ATOM 885 N SER A 57 -20.967 -14.466 -7.037 1.00 0.47 N ATOM 886 CA SER A 57 -21.130 -15.641 -7.881 1.00 0.48 C ATOM 887 C SER A 57 -21.509 -15.251 -9.315 1.00 0.46 C ATOM 888 O SER A 57 -22.440 -14.474 -9.532 1.00 0.59 O ATOM 889 CB SER A 57 -22.203 -16.545 -7.281 1.00 0.61 C ATOM 890 OG SER A 57 -22.247 -16.431 -5.860 1.00 0.91 O ATOM 0 H SER A 57 -21.762 -14.280 -6.425 1.00 0.47 H new ATOM 0 HA SER A 57 -20.179 -16.173 -7.924 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.175 -16.284 -7.698 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.005 -17.580 -7.558 1.00 0.61 H new ATOM 0 HG SER A 57 -22.945 -17.021 -5.506 1.00 0.91 H new ATOM 896 N LEU A 58 -20.788 -15.814 -10.280 1.00 0.44 N ATOM 897 CA LEU A 58 -21.024 -15.564 -11.704 1.00 0.49 C ATOM 898 C LEU A 58 -21.468 -16.869 -12.368 1.00 0.60 C ATOM 899 O LEU A 58 -20.755 -17.444 -13.189 1.00 0.89 O ATOM 900 CB LEU A 58 -19.739 -15.027 -12.348 1.00 0.67 C ATOM 901 CG LEU A 58 -20.027 -14.310 -13.676 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.518 -12.883 -13.430 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.789 -14.289 -14.570 1.00 0.86 C ATOM 0 H LEU A 58 -20.020 -16.460 -10.099 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.808 -14.818 -11.835 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.248 -14.338 -11.661 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.047 -15.851 -12.522 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.812 -14.867 -14.186 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.715 -12.396 -14.385 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.435 -12.910 -12.841 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.755 -12.324 -12.889 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.022 -13.775 -15.503 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.981 -13.765 -14.060 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.479 -15.311 -14.786 1.00 0.86 H new ATOM 915 N LYS A 59 -22.649 -17.340 -11.976 1.00 0.70 N ATOM 916 CA LYS A 59 -23.211 -18.589 -12.491 1.00 0.90 C ATOM 917 C LYS A 59 -24.269 -18.306 -13.561 1.00 0.87 C ATOM 918 O LYS A 59 -25.399 -17.927 -13.239 1.00 0.95 O ATOM 919 CB LYS A 59 -23.819 -19.383 -11.323 1.00 1.13 C ATOM 920 CG LYS A 59 -24.133 -20.834 -11.706 1.00 1.41 C ATOM 921 CD LYS A 59 -22.922 -21.744 -11.483 1.00 1.78 C ATOM 922 CE LYS A 59 -23.197 -23.174 -11.953 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.294 -23.255 -13.439 1.00 2.83 N ATOM 0 H LYS A 59 -23.243 -16.869 -11.294 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.420 -19.177 -12.956 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.127 -19.374 -10.481 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.733 -18.892 -10.990 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.975 -21.194 -11.115 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.436 -20.879 -12.752 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.062 -21.343 -12.019 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -22.662 -21.752 -10.424 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -22.401 -23.832 -11.603 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.125 -23.532 -11.507 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.345 -24.252 -13.730 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.149 -22.757 -13.759 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -22.455 -22.812 -13.866 1.00 2.83 H new ATOM 937 N GLU A 60 -23.889 -18.499 -14.832 1.00 0.89 N ATOM 938 CA GLU A 60 -24.783 -18.287 -15.988 1.00 0.93 C ATOM 939 C GLU A 60 -25.352 -16.860 -16.004 1.00 0.71 C ATOM 940 O GLU A 60 -26.570 -16.674 -16.029 1.00 0.82 O ATOM 941 CB GLU A 60 -25.934 -19.306 -15.956 1.00 1.20 C ATOM 942 CG GLU A 60 -25.422 -20.759 -15.893 1.00 1.43 C ATOM 943 CD GLU A 60 -26.190 -21.572 -14.849 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.306 -21.168 -14.463 1.00 2.04 O ATOM 945 OE2 GLU A 60 -25.679 -22.625 -14.417 1.00 2.33 O ATOM 0 H GLU A 60 -22.952 -18.807 -15.092 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.196 -18.427 -16.895 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.569 -19.108 -15.092 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.555 -19.179 -16.843 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.527 -21.227 -16.872 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.359 -20.763 -15.651 1.00 1.43 H new ATOM 952 N ALA A 61 -24.469 -15.864 -15.980 1.00 0.51 N ATOM 953 CA ALA A 61 -24.878 -14.451 -15.978 1.00 0.35 C ATOM 954 C ALA A 61 -25.273 -13.969 -17.382 1.00 0.35 C ATOM 955 O ALA A 61 -24.752 -14.448 -18.393 1.00 0.43 O ATOM 956 CB ALA A 61 -23.734 -13.584 -15.442 1.00 0.31 C ATOM 0 H ALA A 61 -23.459 -16.005 -15.962 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.752 -14.359 -15.334 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -24.040 -12.538 -15.442 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.490 -13.891 -14.425 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.857 -13.705 -16.078 1.00 0.31 H new ATOM 962 N ILE A 62 -26.183 -12.992 -17.418 1.00 0.34 N ATOM 963 CA ILE A 62 -26.660 -12.381 -18.666 1.00 0.37 C ATOM 964 C ILE A 62 -25.897 -11.072 -18.882 1.00 0.31 C ATOM 965 O ILE A 62 -25.612 -10.351 -17.919 1.00 0.31 O ATOM 966 CB ILE A 62 -28.171 -12.113 -18.572 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.948 -13.427 -18.406 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.679 -11.350 -19.795 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.160 -14.144 -19.743 1.00 1.27 C ATOM 0 H ILE A 62 -26.613 -12.600 -16.580 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.486 -13.052 -19.507 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.340 -11.493 -17.692 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.407 -14.084 -17.725 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.916 -13.220 -17.949 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.751 -11.177 -19.697 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.162 -10.393 -19.867 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.487 -11.935 -20.694 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.714 -15.068 -19.577 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -29.724 -13.499 -20.416 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -28.193 -14.376 -20.189 1.00 1.27 H new ATOM 981 N CYS A 63 -25.548 -10.769 -20.129 1.00 0.34 N ATOM 982 CA CYS A 63 -24.793 -9.556 -20.438 1.00 0.33 C ATOM 983 C CYS A 63 -25.228 -8.955 -21.776 1.00 0.34 C ATOM 984 O CYS A 63 -25.300 -9.653 -22.791 1.00 0.52 O ATOM 985 CB CYS A 63 -23.293 -9.886 -20.460 1.00 0.37 C ATOM 986 SG CYS A 63 -22.255 -8.424 -20.326 1.00 0.53 S ATOM 0 H CYS A 63 -25.774 -11.344 -20.941 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.993 -8.813 -19.666 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.063 -10.565 -19.639 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.055 -10.411 -21.385 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.020 -8.784 -20.136 1.00 0.53 H new ATOM 992 N GLU A 64 -25.490 -7.645 -21.764 1.00 0.26 N ATOM 993 CA GLU A 64 -25.892 -6.891 -22.960 1.00 0.29 C ATOM 994 C GLU A 64 -24.838 -5.815 -23.250 1.00 0.24 C ATOM 995 O GLU A 64 -24.096 -5.413 -22.353 1.00 0.36 O ATOM 996 CB GLU A 64 -27.267 -6.245 -22.745 1.00 0.33 C ATOM 997 CG GLU A 64 -28.346 -7.296 -22.451 1.00 0.81 C ATOM 998 CD GLU A 64 -29.737 -6.669 -22.501 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.946 -5.728 -23.291 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.623 -7.109 -21.739 1.00 1.96 O ATOM 0 H GLU A 64 -25.430 -7.073 -20.922 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.964 -7.569 -23.811 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.212 -5.538 -21.917 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.545 -5.676 -23.632 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.280 -8.105 -23.178 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.175 -7.735 -21.468 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.759 -5.358 -24.499 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.773 -4.340 -24.900 1.00 0.32 C ATOM 1009 C VAL A 65 -24.396 -2.937 -24.927 1.00 0.31 C ATOM 1010 O VAL A 65 -25.555 -2.762 -25.309 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.196 -4.686 -26.285 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.020 -3.766 -26.636 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.753 -6.154 -26.340 1.00 0.39 C ATOM 0 H VAL A 65 -25.365 -5.674 -25.256 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.971 -4.338 -24.162 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.985 -4.533 -27.021 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.631 -4.032 -27.619 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.359 -2.730 -26.648 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.233 -3.881 -25.891 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.349 -6.375 -27.328 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.986 -6.331 -25.586 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.609 -6.800 -26.145 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.597 -1.947 -24.530 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.994 -0.536 -24.503 1.00 0.31 C ATOM 1025 C ALA A 66 -22.878 0.285 -25.154 1.00 0.34 C ATOM 1026 O ALA A 66 -21.982 0.792 -24.474 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.237 -0.079 -23.059 1.00 0.36 C ATOM 0 H ALA A 66 -22.640 -2.103 -24.213 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.924 -0.394 -25.053 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.531 0.971 -23.054 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.031 -0.680 -22.616 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.322 -0.202 -22.480 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.921 0.372 -26.485 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.906 1.087 -27.279 1.00 0.71 C ATOM 1035 C LEU A 67 -21.820 2.575 -26.905 1.00 0.89 C ATOM 1036 O LEU A 67 -20.755 3.064 -26.524 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.225 0.928 -28.780 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.979 0.599 -29.616 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.904 1.673 -29.450 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.428 -0.786 -29.265 1.00 1.38 C ATOM 0 H LEU A 67 -23.659 -0.050 -27.048 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.934 0.647 -27.058 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.964 0.137 -28.909 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.675 1.849 -29.152 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.278 0.584 -30.664 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.034 1.413 -30.053 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.298 2.635 -29.777 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -19.613 1.737 -28.402 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.547 -0.992 -29.872 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.156 -0.813 -28.210 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -21.189 -1.541 -29.463 1.00 1.38 H new ATOM 1052 N ASP A 68 -22.937 3.289 -27.025 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.987 4.723 -26.714 1.00 1.14 C ATOM 1054 C ASP A 68 -23.959 4.980 -25.567 1.00 0.87 C ATOM 1055 O ASP A 68 -25.093 5.415 -25.775 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.403 5.520 -27.962 1.00 1.59 C ATOM 1057 CG ASP A 68 -23.346 7.029 -27.712 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -22.561 7.462 -26.844 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -24.084 7.788 -28.378 1.00 2.62 O ATOM 0 H ASP A 68 -23.826 2.899 -27.337 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.995 5.052 -26.406 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.747 5.263 -28.794 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.414 5.237 -28.255 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.502 4.725 -24.344 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.315 4.945 -23.145 1.00 0.69 C ATOM 1066 C TYR A 69 -24.153 6.403 -22.683 1.00 0.97 C ATOM 1067 O TYR A 69 -23.599 6.677 -21.621 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.896 3.950 -22.044 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.611 4.166 -20.722 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.996 4.145 -20.668 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.881 4.376 -19.558 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.648 4.329 -19.461 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.538 4.563 -18.354 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.914 4.585 -18.317 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.566 4.709 -17.108 1.00 0.97 O ATOM 0 H TYR A 69 -22.567 4.363 -24.154 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.368 4.773 -23.367 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.091 2.935 -22.391 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.821 4.031 -21.883 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.568 3.985 -21.570 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.802 4.393 -19.593 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.725 4.273 -19.413 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.971 4.692 -17.444 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.478 4.360 -17.191 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.912 1.985 -24.327 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.527 0.672 -24.569 1.00 0.38 C ATOM 1175 C HIS A 74 -18.027 0.133 -23.228 1.00 0.30 C ATOM 1176 O HIS A 74 -17.228 -0.261 -22.374 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.498 -0.297 -25.198 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.652 -0.479 -26.685 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.599 -1.588 -27.468 1.00 1.30 N flip ATOM 1180 CD2 HIS A 74 -16.876 0.553 -27.557 1.00 1.38 C flip ATOM 1181 CE1 HIS A 74 -16.795 -1.191 -28.776 1.00 1.47 C flip ATOM 1182 NE2 HIS A 74 -16.958 0.119 -28.791 1.00 1.53 N flip ATOM 0 HA HIS A 74 -18.359 0.766 -25.267 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.494 0.072 -24.990 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.587 -1.269 -24.713 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -16.442 -2.543 -27.147 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -16.972 1.589 -27.266 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.812 -1.841 -29.639 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.345 0.148 -23.035 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.968 -0.308 -21.790 1.00 0.23 C ATOM 1192 C VAL A 75 -20.844 -1.540 -22.046 1.00 0.22 C ATOM 1193 O VAL A 75 -21.300 -1.766 -23.168 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.805 0.855 -21.207 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.414 0.500 -19.849 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.954 2.124 -21.078 1.00 0.31 C ATOM 0 H VAL A 75 -20.011 0.476 -23.735 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.199 -0.598 -21.074 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.623 1.038 -21.904 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.993 1.346 -19.478 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.066 -0.366 -19.958 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.617 0.268 -19.142 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.562 2.929 -20.666 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.111 1.931 -20.415 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.584 2.415 -22.061 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.085 -2.326 -20.997 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.925 -3.524 -21.089 1.00 0.23 C ATOM 1208 C PHE A 76 -22.705 -3.707 -19.786 1.00 0.22 C ATOM 1209 O PHE A 76 -22.173 -3.500 -18.690 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.099 -4.783 -21.431 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.968 -5.118 -20.468 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.200 -5.954 -19.381 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.693 -4.620 -20.690 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.163 -6.284 -18.520 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.654 -4.952 -19.833 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.887 -5.784 -18.747 1.00 0.29 C ATOM 0 H PHE A 76 -20.708 -2.154 -20.065 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.631 -3.385 -21.908 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.776 -5.636 -21.477 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.676 -4.657 -22.428 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.190 -6.348 -19.206 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.508 -3.971 -21.533 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.348 -6.929 -17.674 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.663 -4.563 -20.011 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.078 -6.042 -18.080 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.977 -4.086 -19.919 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.871 -4.296 -18.774 1.00 0.28 C ATOM 1228 C LYS A 77 -24.766 -5.743 -18.304 1.00 0.31 C ATOM 1229 O LYS A 77 -25.349 -6.648 -18.902 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.328 -3.933 -19.160 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.397 -4.472 -18.179 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.234 -3.927 -16.752 1.00 1.33 C ATOM 1233 CE LYS A 77 -27.952 -2.582 -16.574 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.386 -2.747 -16.195 1.00 1.95 N ATOM 0 H LYS A 77 -24.419 -4.257 -20.822 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.573 -3.645 -17.953 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.417 -2.848 -19.217 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.536 -4.323 -20.156 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.388 -4.210 -18.551 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.343 -5.560 -18.154 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.631 -4.649 -16.039 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -26.174 -3.807 -16.527 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -27.441 -2.000 -15.807 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -27.888 -2.014 -17.502 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.664 -1.983 -15.547 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.978 -2.708 -17.049 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.517 -3.665 -15.724 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.022 -5.947 -17.221 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.826 -7.271 -16.633 1.00 0.24 C ATOM 1250 C LEU A 78 -24.894 -7.504 -15.565 1.00 0.29 C ATOM 1251 O LEU A 78 -24.930 -6.802 -14.548 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.419 -7.350 -16.025 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.117 -8.710 -15.398 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.586 -9.858 -16.291 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.626 -8.847 -15.083 1.00 0.86 C ATOM 0 H LEU A 78 -23.537 -5.199 -16.725 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.918 -8.044 -17.396 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.682 -7.141 -16.800 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.312 -6.574 -15.267 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.674 -8.769 -14.463 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.354 -10.809 -15.812 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.662 -9.782 -16.446 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.076 -9.802 -17.253 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.436 -9.824 -14.637 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.049 -8.750 -16.003 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.328 -8.065 -14.384 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.767 -8.472 -15.812 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.855 -8.803 -14.897 1.00 0.40 C ATOM 1269 C ARG A 79 -26.616 -10.165 -14.265 1.00 0.45 C ATOM 1270 O ARG A 79 -26.604 -11.184 -14.964 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.176 -8.837 -15.667 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.603 -7.444 -16.122 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.635 -7.513 -17.252 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.695 -6.522 -17.054 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.635 -6.315 -17.977 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.460 -7.297 -18.309 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -31.742 -5.129 -18.567 1.00 2.99 N ATOM 0 H ARG A 79 -25.742 -9.051 -16.652 1.00 0.31 H new ATOM 0 HA ARG A 79 -26.898 -8.046 -14.114 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.074 -9.488 -16.536 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.954 -9.268 -15.036 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.023 -6.897 -15.278 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -27.729 -6.887 -16.460 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.144 -7.339 -18.209 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.069 -8.512 -17.293 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.715 -5.978 -16.191 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.375 -8.208 -17.859 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.180 -7.142 -19.015 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.104 -4.374 -18.314 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -32.462 -4.974 -19.273 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.456 -10.193 -12.945 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.254 -11.455 -12.234 1.00 0.68 C ATOM 1293 C LEU A 80 -27.612 -12.162 -12.107 1.00 0.84 C ATOM 1294 O LEU A 80 -28.590 -11.566 -11.642 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.630 -11.195 -10.859 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.262 -10.503 -10.983 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.819 -9.929 -9.638 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.198 -11.462 -11.520 1.00 1.26 C ATOM 0 H LEU A 80 -26.462 -9.365 -12.349 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.566 -12.095 -12.786 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.301 -10.574 -10.265 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.515 -12.139 -10.326 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.374 -9.685 -11.695 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.849 -9.445 -9.751 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.552 -9.198 -9.295 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.740 -10.734 -8.907 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.243 -10.941 -11.595 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.096 -12.309 -10.842 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.495 -11.820 -12.506 1.00 1.26 H new ATOM 1310 N SER A 81 -27.670 -13.417 -12.559 1.00 1.01 N ATOM 1311 CA SER A 81 -28.912 -14.219 -12.548 1.00 1.23 C ATOM 1312 C SER A 81 -29.519 -14.350 -11.147 1.00 1.40 C ATOM 1313 O SER A 81 -30.730 -14.517 -11.006 1.00 1.92 O ATOM 1314 CB SER A 81 -28.638 -15.602 -13.147 1.00 1.52 C ATOM 1315 OG SER A 81 -28.337 -15.482 -14.534 1.00 2.18 O ATOM 0 H SER A 81 -26.865 -13.911 -12.943 1.00 1.01 H new ATOM 0 HA SER A 81 -29.647 -13.693 -13.157 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.806 -16.075 -12.626 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.507 -16.245 -13.010 1.00 1.52 H new ATOM 0 HG SER A 81 -27.717 -16.194 -14.797 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.684 -14.253 -10.123 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.138 -14.334 -8.735 1.00 1.76 C ATOM 1323 C ASP A 82 -28.287 -13.402 -7.882 1.00 1.31 C ATOM 1324 O ASP A 82 -27.837 -13.760 -6.793 1.00 1.74 O ATOM 1325 CB ASP A 82 -29.058 -15.785 -8.231 1.00 2.76 C ATOM 1326 CG ASP A 82 -30.218 -16.081 -7.290 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -30.294 -15.450 -6.218 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -31.051 -16.951 -7.612 1.00 3.77 O ATOM 0 H ASP A 82 -27.678 -14.117 -10.225 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.180 -14.022 -8.666 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -29.082 -16.473 -9.076 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.112 -15.947 -7.715 1.00 2.76 H new ATOM 1333 N GLY A 83 -28.065 -12.196 -8.399 1.00 1.09 N ATOM 1334 CA GLY A 83 -27.266 -11.193 -7.711 1.00 1.53 C ATOM 1335 C GLY A 83 -27.725 -9.782 -8.071 1.00 1.31 C ATOM 1336 O GLY A 83 -28.941 -9.497 -8.102 1.00 1.88 O ATOM 0 H GLY A 83 -28.432 -11.891 -9.300 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -27.342 -11.340 -6.634 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -26.216 -11.316 -7.976 1.00 1.53 H new ATOM 1340 N ASN A 84 -26.733 -8.904 -8.298 1.00 0.93 N ATOM 1341 CA ASN A 84 -26.952 -7.480 -8.611 1.00 0.71 C ATOM 1342 C ASN A 84 -26.865 -7.189 -10.125 1.00 0.62 C ATOM 1343 O ASN A 84 -26.625 -8.082 -10.943 1.00 0.65 O ATOM 1344 CB ASN A 84 -25.881 -6.632 -7.891 1.00 0.84 C ATOM 1345 CG ASN A 84 -25.340 -7.295 -6.613 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -24.511 -8.206 -6.680 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.814 -6.851 -5.460 1.00 1.32 N ATOM 0 H ASN A 84 -25.747 -9.165 -8.269 1.00 0.93 H new ATOM 0 HA ASN A 84 -27.957 -7.225 -8.273 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.053 -6.448 -8.575 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.306 -5.661 -7.637 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.494 -7.264 -4.584 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.499 -6.095 -5.447 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.038 -5.901 -10.466 1.00 0.59 N ATOM 1355 CA GLU A 85 -26.967 -5.387 -11.844 1.00 0.55 C ATOM 1356 C GLU A 85 -25.902 -4.277 -11.900 1.00 0.47 C ATOM 1357 O GLU A 85 -25.948 -3.339 -11.093 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.326 -4.796 -12.238 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.330 -5.871 -12.664 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.386 -5.269 -13.590 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.045 -4.873 -14.719 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.573 -5.207 -13.193 1.00 1.39 O ATOM 0 H GLU A 85 -27.235 -5.174 -9.778 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.708 -6.194 -12.529 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.733 -4.236 -11.396 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.188 -4.088 -13.055 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.810 -6.683 -13.172 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.809 -6.300 -11.784 1.00 1.16 H new ATOM 1369 N TYR A 86 -24.950 -4.370 -12.832 1.00 0.33 N ATOM 1370 CA TYR A 86 -23.880 -3.360 -12.951 1.00 0.31 C ATOM 1371 C TYR A 86 -23.553 -3.034 -14.415 1.00 0.29 C ATOM 1372 O TYR A 86 -23.541 -3.924 -15.270 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.588 -3.887 -12.306 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.711 -4.290 -10.855 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -22.817 -3.320 -9.868 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.757 -5.629 -10.509 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -22.969 -3.693 -8.544 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.900 -6.000 -9.186 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.862 -5.019 -8.194 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.168 -5.407 -6.898 1.00 0.77 O ATOM 0 H TYR A 86 -24.893 -5.127 -13.514 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.242 -2.462 -12.451 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.241 -4.748 -12.877 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -21.820 -3.118 -12.389 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.781 -2.274 -10.133 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.681 -6.386 -11.275 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.171 -2.947 -7.790 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.040 -7.038 -8.922 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.850 -4.807 -6.529 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.199 -1.768 -14.677 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.760 -1.326 -16.009 1.00 0.23 C ATOM 1392 C LEU A 87 -21.237 -1.283 -15.972 1.00 0.22 C ATOM 1393 O LEU A 87 -20.667 -0.486 -15.222 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.271 0.081 -16.367 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.792 0.168 -16.446 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.218 1.532 -16.994 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.352 -0.957 -17.310 1.00 0.38 C ATOM 0 H LEU A 87 -23.208 -1.026 -13.977 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.155 -2.014 -16.757 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.911 0.791 -15.622 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.846 0.381 -17.325 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.197 0.057 -15.440 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.306 1.580 -17.045 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.850 2.319 -16.336 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.802 1.669 -17.992 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.438 -0.876 -17.353 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.942 -0.881 -18.317 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.076 -1.919 -16.878 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.584 -2.138 -16.745 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.122 -2.193 -16.769 1.00 0.19 C ATOM 1411 C PHE A 88 -18.583 -1.478 -18.002 1.00 0.20 C ATOM 1412 O PHE A 88 -18.913 -1.838 -19.130 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.667 -3.646 -16.745 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.711 -4.236 -15.356 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.800 -3.828 -14.397 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.659 -5.195 -15.042 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.838 -4.375 -13.128 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.700 -5.742 -13.772 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.796 -5.309 -12.805 1.00 0.22 C ATOM 0 H PHE A 88 -21.040 -2.806 -17.366 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.729 -1.686 -15.888 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.302 -4.234 -17.408 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.651 -3.713 -17.134 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.059 -3.081 -14.640 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.368 -5.517 -15.790 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.114 -4.069 -12.388 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.430 -6.501 -13.532 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.847 -5.706 -11.802 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.760 -0.459 -17.770 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.163 0.343 -18.843 1.00 0.26 C ATOM 1431 C GLN A 89 -15.706 -0.060 -19.064 1.00 0.22 C ATOM 1432 O GLN A 89 -14.880 0.039 -18.148 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.249 1.827 -18.469 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.699 2.746 -19.574 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.524 3.572 -19.051 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -14.407 2.913 -18.795 1.00 1.34 O flip ATOM 1437 NE2 GLN A 89 -15.633 4.786 -18.876 1.00 1.63 N flip ATOM 0 H GLN A 89 -17.486 -0.163 -16.833 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.710 0.167 -19.769 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.288 2.088 -18.268 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.693 1.999 -17.548 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.379 2.147 -20.427 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.488 3.409 -19.929 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.514 5.255 -19.087 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.842 5.323 -18.520 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.393 -0.479 -20.291 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.036 -0.872 -20.679 1.00 0.24 C ATOM 1448 C ALA A 90 -13.344 0.297 -21.381 1.00 0.27 C ATOM 1449 O ALA A 90 -13.987 1.288 -21.746 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.084 -2.082 -21.615 1.00 0.29 C ATOM 0 H ALA A 90 -16.074 -0.556 -21.046 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.475 -1.141 -19.784 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.070 -2.365 -21.896 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.565 -2.917 -21.106 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.651 -1.827 -22.510 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.036 0.174 -21.576 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.243 1.213 -22.240 1.00 0.44 C ATOM 1458 C LYS A 91 -11.109 0.907 -23.731 1.00 0.49 C ATOM 1459 O LYS A 91 -11.275 1.788 -24.575 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.852 1.303 -21.603 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.925 1.742 -20.132 1.00 1.26 C ATOM 1462 CD LYS A 91 -10.001 0.546 -19.174 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.617 0.042 -18.744 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.602 0.129 -19.834 1.00 2.29 N ATOM 0 H LYS A 91 -11.495 -0.640 -21.283 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.754 2.168 -22.119 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.359 0.333 -21.669 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.241 2.010 -22.163 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.049 2.344 -19.890 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.799 2.378 -19.987 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.571 0.830 -18.289 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.545 -0.266 -19.656 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.274 0.623 -17.888 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.700 -0.993 -18.413 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.670 -0.144 -19.463 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.868 -0.512 -20.608 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.560 1.105 -20.192 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.802 -0.348 -24.043 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.635 -0.793 -25.437 1.00 0.66 C ATOM 1480 C ASP A 92 -11.818 -1.665 -25.863 1.00 0.59 C ATOM 1481 O ASP A 92 -12.433 -2.346 -25.036 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.325 -1.590 -25.572 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.839 -1.616 -27.021 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.417 -2.360 -27.839 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.877 -0.886 -27.346 1.00 2.01 O ATOM 0 H ASP A 92 -10.662 -1.084 -23.351 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.595 0.083 -26.084 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.559 -1.145 -24.937 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.479 -2.610 -25.219 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.110 -1.675 -27.165 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.201 -2.499 -27.720 1.00 0.63 C ATOM 1492 C ASP A 93 -12.846 -3.989 -27.607 1.00 0.49 C ATOM 1493 O ASP A 93 -13.721 -4.835 -27.398 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.502 -2.116 -29.183 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.269 -2.244 -30.076 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.500 -1.268 -30.179 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -12.068 -3.317 -30.679 1.00 2.13 O ATOM 0 H ASP A 93 -11.609 -1.123 -27.861 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.103 -2.309 -27.139 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.296 -2.755 -29.569 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.871 -1.091 -29.220 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.547 -4.293 -27.699 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.048 -5.667 -27.566 1.00 0.41 C ATOM 1504 C GLU A 94 -11.252 -6.138 -26.120 1.00 0.36 C ATOM 1505 O GLU A 94 -11.599 -7.292 -25.864 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.558 -5.705 -27.929 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.061 -7.140 -28.167 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.863 -7.460 -27.280 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.971 -6.598 -27.133 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.809 -8.573 -26.725 1.00 2.59 O ATOM 0 H GLU A 94 -10.817 -3.601 -27.866 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.593 -6.328 -28.239 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.388 -5.109 -28.825 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.978 -5.248 -27.127 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.867 -7.846 -27.964 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.785 -7.264 -29.214 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.060 -5.204 -25.183 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.230 -5.455 -23.750 1.00 0.29 C ATOM 1519 C GLU A 95 -12.695 -5.783 -23.438 1.00 0.24 C ATOM 1520 O GLU A 95 -12.985 -6.735 -22.712 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.792 -4.214 -22.970 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.613 -4.501 -21.483 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.124 -3.249 -20.776 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.555 -2.141 -21.157 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.300 -3.372 -19.854 1.00 1.30 O ATOM 0 H GLU A 95 -10.781 -4.247 -25.400 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.617 -6.307 -23.456 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.854 -3.841 -23.382 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.533 -3.425 -23.099 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.558 -4.830 -21.050 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.899 -5.312 -21.343 1.00 0.42 H new ATOM 1532 N MET A 96 -13.611 -4.989 -24.007 1.00 0.24 N ATOM 1533 CA MET A 96 -15.059 -5.180 -23.816 1.00 0.22 C ATOM 1534 C MET A 96 -15.483 -6.585 -24.257 1.00 0.22 C ATOM 1535 O MET A 96 -16.181 -7.291 -23.526 1.00 0.23 O ATOM 1536 CB MET A 96 -15.839 -4.119 -24.608 1.00 0.26 C ATOM 1537 CG MET A 96 -17.308 -4.048 -24.174 1.00 0.39 C ATOM 1538 SD MET A 96 -18.430 -3.748 -25.555 1.00 0.94 S ATOM 1539 CE MET A 96 -18.262 -5.281 -26.489 1.00 0.77 C ATOM 0 H MET A 96 -13.374 -4.201 -24.609 1.00 0.24 H new ATOM 0 HA MET A 96 -15.285 -5.070 -22.755 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.371 -3.144 -24.468 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.785 -4.348 -25.672 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.583 -4.982 -23.684 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.426 -3.254 -23.436 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.779 -5.074 -27.444 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.656 -5.988 -25.922 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.249 -5.709 -26.666 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.039 -6.993 -25.450 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.355 -8.325 -25.992 1.00 0.28 C ATOM 1551 C ASN A 97 -14.761 -9.426 -25.098 1.00 0.26 C ATOM 1552 O ASN A 97 -15.423 -10.423 -24.809 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.809 -8.444 -27.423 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.248 -9.760 -28.075 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.432 -10.655 -28.303 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.534 -9.883 -28.369 1.00 1.24 N ATOM 0 H ASN A 97 -14.458 -6.421 -26.063 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.438 -8.451 -26.012 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.161 -7.603 -28.021 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.721 -8.389 -27.406 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.879 -10.741 -28.799 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.179 -9.120 -28.165 1.00 1.24 H new ATOM 1563 N THR A 98 -13.514 -9.223 -24.656 1.00 0.25 N ATOM 1564 CA THR A 98 -12.811 -10.179 -23.784 1.00 0.27 C ATOM 1565 C THR A 98 -13.572 -10.383 -22.459 1.00 0.23 C ATOM 1566 O THR A 98 -13.680 -11.508 -21.963 1.00 0.27 O ATOM 1567 CB THR A 98 -11.380 -9.676 -23.515 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.688 -9.505 -24.748 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.599 -10.640 -22.610 1.00 0.39 C ATOM 0 H THR A 98 -12.964 -8.396 -24.890 1.00 0.25 H new ATOM 0 HA THR A 98 -12.763 -11.144 -24.289 1.00 0.27 H new ATOM 0 HB THR A 98 -11.455 -8.719 -22.998 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.027 -8.708 -25.206 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.595 -10.250 -22.444 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.113 -10.738 -21.654 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.534 -11.617 -23.089 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.103 -9.293 -21.895 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.858 -9.351 -20.636 1.00 0.20 C ATOM 1579 C TRP A 99 -16.182 -10.099 -20.834 1.00 0.21 C ATOM 1580 O TRP A 99 -16.481 -11.054 -20.113 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.129 -7.930 -20.108 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.973 -7.332 -19.347 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.292 -6.183 -19.649 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.376 -7.847 -18.134 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.317 -5.988 -18.708 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.343 -6.973 -17.771 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.618 -8.961 -17.325 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.563 -7.180 -16.643 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.841 -9.175 -16.195 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.824 -8.293 -15.856 1.00 0.29 C ATOM 0 H TRP A 99 -14.024 -8.356 -22.291 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.259 -9.892 -19.903 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.373 -7.281 -20.949 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.005 -7.954 -19.460 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.491 -5.537 -20.491 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.659 -5.208 -18.710 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.407 -9.653 -17.579 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.772 -6.492 -16.383 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.030 -10.037 -15.573 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.231 -8.475 -14.972 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.973 -9.659 -21.819 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.275 -10.278 -22.119 1.00 0.24 C ATOM 1603 C ILE A 100 -18.116 -11.766 -22.475 1.00 0.28 C ATOM 1604 O ILE A 100 -18.885 -12.600 -21.999 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.970 -9.521 -23.265 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.297 -8.083 -22.837 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.253 -10.238 -23.706 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.904 -7.277 -23.979 1.00 0.29 C ATOM 0 H ILE A 100 -16.736 -8.874 -22.425 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.895 -10.214 -21.225 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.283 -9.495 -24.111 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.991 -8.103 -21.997 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.388 -7.592 -22.488 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.722 -9.680 -24.517 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.008 -11.242 -24.051 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.942 -10.302 -22.864 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.121 -6.266 -23.635 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.199 -7.235 -24.809 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.827 -7.753 -24.310 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.119 -12.093 -23.307 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.860 -13.481 -23.724 1.00 0.35 C ATOM 1622 C GLN A 101 -16.521 -14.375 -22.524 1.00 0.36 C ATOM 1623 O GLN A 101 -17.019 -15.499 -22.415 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.706 -13.517 -24.731 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.173 -13.096 -26.128 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.388 -14.324 -27.012 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -15.452 -14.821 -27.638 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -17.617 -14.816 -27.061 1.00 1.76 N ATOM 0 H GLN A 101 -16.474 -11.412 -23.708 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.769 -13.864 -24.188 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.908 -12.854 -24.397 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.288 -14.523 -24.773 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.100 -12.528 -26.052 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.432 -12.438 -26.583 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.365 -14.374 -26.527 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -17.815 -15.637 -27.633 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.668 -13.867 -21.633 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.245 -14.608 -20.438 1.00 0.37 C ATOM 1639 C ALA A 102 -16.404 -14.795 -19.456 1.00 0.38 C ATOM 1640 O ALA A 102 -16.524 -15.842 -18.825 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.096 -13.871 -19.750 1.00 0.38 C ATOM 0 H ALA A 102 -15.253 -12.939 -21.715 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.910 -15.595 -20.755 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.787 -14.426 -18.864 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.254 -13.787 -20.438 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.427 -12.874 -19.457 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.255 -13.777 -19.331 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.408 -13.824 -18.422 1.00 0.38 C ATOM 1649 C ILE A 103 -19.496 -14.754 -18.980 1.00 0.47 C ATOM 1650 O ILE A 103 -19.964 -15.656 -18.282 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.956 -12.396 -18.210 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.923 -11.532 -17.467 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.285 -12.392 -17.438 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.124 -10.042 -17.744 1.00 0.35 C ATOM 0 H ILE A 103 -17.169 -12.903 -19.850 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.091 -14.225 -17.459 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.145 -11.976 -19.198 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.999 -11.716 -16.395 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.918 -11.826 -17.770 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.630 -11.366 -17.314 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.030 -12.961 -17.994 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.138 -12.846 -16.458 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.374 -9.467 -17.201 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.022 -9.854 -18.813 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.119 -9.742 -17.416 1.00 0.35 H new ATOM 1666 N SER A 104 -19.892 -14.534 -20.240 1.00 0.53 N ATOM 1667 CA SER A 104 -20.932 -15.352 -20.891 1.00 0.66 C ATOM 1668 C SER A 104 -20.535 -16.833 -20.948 1.00 0.72 C ATOM 1669 O SER A 104 -21.395 -17.713 -20.876 1.00 0.89 O ATOM 1670 CB SER A 104 -21.212 -14.832 -22.308 1.00 0.81 C ATOM 1671 OG SER A 104 -20.014 -14.723 -23.070 1.00 1.05 O ATOM 0 H SER A 104 -19.510 -13.797 -20.832 1.00 0.53 H new ATOM 0 HA SER A 104 -21.838 -15.269 -20.290 1.00 0.66 H new ATOM 0 HB2 SER A 104 -21.906 -15.504 -22.813 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.697 -13.858 -22.250 1.00 0.81 H new ATOM 0 HG SER A 104 -19.618 -13.837 -22.933 1.00 1.05 H new ATOM 1677 N SER A 105 -19.234 -17.098 -21.078 1.00 0.80 N ATOM 1678 CA SER A 105 -18.716 -18.470 -21.146 1.00 1.13 C ATOM 1679 C SER A 105 -17.879 -18.799 -19.900 1.00 1.23 C ATOM 1680 O SER A 105 -16.880 -19.518 -19.989 1.00 1.61 O ATOM 1681 CB SER A 105 -17.875 -18.642 -22.424 1.00 1.48 C ATOM 1682 OG SER A 105 -18.397 -17.845 -23.487 1.00 1.63 O ATOM 0 H SER A 105 -18.514 -16.378 -21.139 1.00 0.80 H new ATOM 0 HA SER A 105 -19.557 -19.163 -21.177 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.841 -18.359 -22.225 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.867 -19.691 -22.720 1.00 1.48 H new ATOM 0 HG SER A 105 -18.082 -16.922 -23.389 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.288 -18.269 -18.739 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.579 -18.502 -17.473 1.00 1.59 C ATOM 1690 C ALA A 106 -17.814 -19.933 -16.987 1.00 2.40 C ATOM 1691 O ALA A 106 -18.941 -20.235 -16.545 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.058 -17.506 -16.412 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.881 -20.757 -17.061 1.00 3.05 O ATOM 0 H ALA A 106 -19.111 -17.673 -18.651 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.511 -18.359 -17.640 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.527 -17.687 -15.477 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.860 -16.489 -16.751 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.129 -17.633 -16.251 1.00 1.90 H new