USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 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 97 ASN : amide:sc= 0.483 K(o=1.1,f=-0.99) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.582 K(o=1.1,f=0) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.0396 X(o=1.2,f=1.1) USER MOD Set 2.2: A 86 TYR OH : rot -21:sc= 1.27 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.0892 X(o=0.19,f=-0.14) USER MOD Set 3.2: A 50 TYR OH : rot -164:sc= 0.0987 USER MOD Set 4.1: A 6 ASN : amide:sc= 0.287 K(o=0.86,f=-2!) USER MOD Set 4.2: A 89 GLN : amide:sc= 0.572 K(o=0.86,f=-2.9) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.105) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.162 F(o=-2.2!,f=0.16) USER MOD Single : A 22 SER OG : rot 29:sc= 0.332 USER MOD Single : A 25 ASN : amide:sc= 0.0486 X(o=0.049,f=0) USER MOD Single : A 27 TYR OH : rot 171:sc= 0.227 USER MOD Single : A 28 CYS SG : rot -85:sc= 0.504 USER MOD Single : A 31 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc=-0.00472 X(o=-0.0047,f=0) USER MOD Single : A 35 MET CE :methyl -142:sc= -0.746 (180deg=-5.1!) 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+ -137:sc= 1.14 (180deg=0.615) USER MOD Single : A 43 SER OG : rot 75:sc= 0.836 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 52 SER OG : rot 53:sc= 0.208 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 150:sc= -0.991 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 81 SER OG : rot 160:sc= 0.0927 USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= -0.0191 (180deg=-0.193) USER MOD Single : A 96 MET CE :methyl -160:sc= -0.512 (180deg=-1.54) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 104 SER OG : rot 94:sc= 1.29 USER MOD Single : A 105 SER OG : rot 81:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.068 -10.764 -15.291 1.00 0.51 N ATOM 21 CA GLU A 2 -8.015 -9.629 -14.356 1.00 0.37 C ATOM 22 C GLU A 2 -7.870 -8.314 -15.126 1.00 0.34 C ATOM 23 O GLU A 2 -7.301 -8.287 -16.220 1.00 0.48 O ATOM 24 CB GLU A 2 -6.821 -9.758 -13.407 1.00 0.53 C ATOM 25 CG GLU A 2 -6.779 -11.100 -12.673 1.00 0.96 C ATOM 26 CD GLU A 2 -5.732 -11.059 -11.560 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.228 -9.957 -11.246 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.413 -12.125 -10.997 1.00 2.16 O ATOM 0 HA GLU A 2 -8.942 -9.633 -13.783 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.899 -9.632 -13.974 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.858 -8.951 -12.675 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.759 -11.324 -12.252 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.543 -11.900 -13.375 1.00 0.96 H new ATOM 35 N GLY A 3 -8.359 -7.225 -14.541 1.00 0.25 N ATOM 36 CA GLY A 3 -8.257 -5.907 -15.165 1.00 0.28 C ATOM 37 C GLY A 3 -9.092 -4.871 -14.417 1.00 0.22 C ATOM 38 O GLY A 3 -9.912 -5.213 -13.554 1.00 0.22 O ATOM 0 H GLY A 3 -8.830 -7.227 -13.636 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.214 -5.591 -15.184 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.591 -5.966 -16.201 1.00 0.28 H new ATOM 42 N PHE A 4 -8.893 -3.601 -14.775 1.00 0.24 N ATOM 43 CA PHE A 4 -9.634 -2.488 -14.177 1.00 0.21 C ATOM 44 C PHE A 4 -10.889 -2.238 -15.002 1.00 0.22 C ATOM 45 O PHE A 4 -10.868 -2.319 -16.232 1.00 0.27 O ATOM 46 CB PHE A 4 -8.779 -1.213 -14.136 1.00 0.23 C ATOM 47 CG PHE A 4 -7.931 -1.088 -12.887 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.521 -0.707 -11.690 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.565 -1.341 -12.932 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.753 -0.580 -10.546 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.799 -1.214 -11.782 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.393 -0.834 -10.592 1.00 0.41 C ATOM 0 H PHE A 4 -8.217 -3.316 -15.484 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.899 -2.748 -13.152 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.128 -1.195 -15.010 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.434 -0.345 -14.208 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.582 -0.509 -11.651 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.100 -1.636 -13.861 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.215 -0.282 -9.616 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.738 -1.412 -11.816 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.795 -0.735 -9.698 1.00 0.41 H new ATOM 62 N LEU A 5 -11.973 -1.941 -14.318 1.00 0.19 N ATOM 63 CA LEU A 5 -13.260 -1.693 -14.959 1.00 0.21 C ATOM 64 C LEU A 5 -14.023 -0.602 -14.214 1.00 0.20 C ATOM 65 O LEU A 5 -13.966 -0.511 -12.984 1.00 0.21 O ATOM 66 CB LEU A 5 -14.103 -2.982 -14.941 1.00 0.23 C ATOM 67 CG LEU A 5 -13.816 -3.905 -16.130 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.607 -5.205 -15.988 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.166 -3.222 -17.450 1.00 0.31 C ATOM 0 H LEU A 5 -11.994 -1.863 -13.301 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.079 -1.374 -15.986 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.910 -3.522 -14.014 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.160 -2.717 -14.941 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.750 -4.132 -16.135 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.396 -5.854 -16.838 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.317 -5.709 -15.066 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.673 -4.981 -15.959 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.953 -3.899 -18.278 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.225 -2.963 -17.456 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.571 -2.316 -17.560 1.00 0.31 H new ATOM 81 N ASN A 6 -14.792 0.179 -14.963 1.00 0.22 N ATOM 82 CA ASN A 6 -15.643 1.225 -14.389 1.00 0.23 C ATOM 83 C ASN A 6 -16.944 0.541 -13.981 1.00 0.22 C ATOM 84 O ASN A 6 -17.605 -0.048 -14.826 1.00 0.26 O ATOM 85 CB ASN A 6 -15.895 2.340 -15.426 1.00 0.28 C ATOM 86 CG ASN A 6 -16.018 3.717 -14.768 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.074 3.842 -13.544 1.00 1.49 O ATOM 88 ND2 ASN A 6 -16.078 4.754 -15.590 1.00 1.24 N ATOM 0 H ASN A 6 -14.846 0.110 -15.979 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.172 1.700 -13.528 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.079 2.355 -16.148 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.807 2.120 -15.980 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -16.174 5.698 -15.215 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.028 4.609 -16.598 1.00 1.24 H new ATOM 95 N ARG A 7 -17.274 0.551 -12.689 1.00 0.23 N ATOM 96 CA ARG A 7 -18.474 -0.141 -12.197 1.00 0.24 C ATOM 97 C ARG A 7 -19.539 0.838 -11.706 1.00 0.25 C ATOM 98 O ARG A 7 -19.288 1.667 -10.826 1.00 0.32 O ATOM 99 CB ARG A 7 -18.086 -1.101 -11.060 1.00 0.28 C ATOM 100 CG ARG A 7 -19.229 -2.063 -10.710 1.00 0.34 C ATOM 101 CD ARG A 7 -18.742 -3.246 -9.862 1.00 0.54 C ATOM 102 NE ARG A 7 -18.530 -2.846 -8.466 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.495 -2.951 -7.555 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.744 -4.127 -6.985 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.207 -1.883 -7.228 1.00 1.71 N ATOM 0 H ARG A 7 -16.734 1.026 -11.966 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.900 -0.700 -13.030 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.206 -1.674 -11.353 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.812 -0.525 -10.176 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.005 -1.523 -10.168 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.683 -2.437 -11.628 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.473 -4.053 -9.905 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.812 -3.636 -10.277 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.620 -2.478 -8.187 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.196 -4.947 -7.246 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.483 -4.209 -6.287 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.015 -0.986 -7.674 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.948 -1.958 -6.531 1.00 1.71 H new ATOM 119 N LYS A 8 -20.738 0.701 -12.266 1.00 0.27 N ATOM 120 CA LYS A 8 -21.893 1.518 -11.901 1.00 0.29 C ATOM 121 C LYS A 8 -23.094 0.597 -11.716 1.00 0.29 C ATOM 122 O LYS A 8 -23.509 -0.092 -12.645 1.00 0.38 O ATOM 123 CB LYS A 8 -22.171 2.564 -12.990 1.00 0.36 C ATOM 124 CG LYS A 8 -23.507 3.301 -12.790 1.00 0.37 C ATOM 125 CD LYS A 8 -24.496 2.976 -13.918 1.00 0.50 C ATOM 126 CE LYS A 8 -25.958 3.112 -13.474 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.213 4.401 -12.771 1.00 1.02 N ATOM 0 H LYS A 8 -20.938 0.014 -12.993 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.695 2.053 -10.972 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.360 3.292 -13.003 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.175 2.074 -13.964 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.941 3.019 -11.831 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.331 4.376 -12.756 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.312 3.642 -14.761 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.320 1.960 -14.270 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.609 3.040 -14.345 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.215 2.283 -12.815 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.238 4.536 -12.654 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.758 4.383 -11.836 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -25.822 5.185 -13.331 1.00 1.02 H new ATOM 141 N HIS A 9 -23.637 0.582 -10.506 1.00 0.43 N ATOM 142 CA HIS A 9 -24.776 -0.242 -10.163 1.00 0.52 C ATOM 143 C HIS A 9 -26.079 0.393 -10.671 1.00 0.58 C ATOM 144 O HIS A 9 -26.334 1.578 -10.441 1.00 0.73 O ATOM 145 CB HIS A 9 -24.830 -0.435 -8.635 1.00 0.68 C ATOM 146 CG HIS A 9 -24.492 0.788 -7.804 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.337 2.104 -8.123 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.273 0.730 -6.450 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.032 2.789 -6.961 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.002 1.917 -5.962 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.292 1.149 -9.731 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.667 -1.214 -10.643 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.832 -0.769 -8.365 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.143 -1.237 -8.364 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.318 -0.175 -5.863 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.850 3.850 -6.881 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.803 2.132 -4.985 1.00 1.75 H new ATOM 158 N GLU A 10 -26.894 -0.409 -11.353 1.00 0.60 N ATOM 159 CA GLU A 10 -28.185 0.038 -11.895 1.00 0.73 C ATOM 160 C GLU A 10 -29.310 -0.349 -10.932 1.00 0.83 C ATOM 161 O GLU A 10 -30.157 0.469 -10.578 1.00 1.00 O ATOM 162 CB GLU A 10 -28.432 -0.610 -13.275 1.00 0.79 C ATOM 163 CG GLU A 10 -28.453 0.429 -14.400 1.00 1.28 C ATOM 164 CD GLU A 10 -29.693 1.312 -14.300 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.809 0.820 -14.573 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.553 2.501 -13.954 1.00 1.52 O ATOM 0 H GLU A 10 -26.682 -1.388 -11.548 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.167 1.122 -12.011 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.653 -1.346 -13.475 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.381 -1.147 -13.259 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.556 1.047 -14.347 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.437 -0.075 -15.366 1.00 1.28 H new ATOM 173 N TRP A 11 -29.305 -1.616 -10.523 1.00 0.82 N ATOM 174 CA TRP A 11 -30.312 -2.161 -9.617 1.00 0.96 C ATOM 175 C TRP A 11 -29.655 -3.223 -8.728 1.00 0.94 C ATOM 176 O TRP A 11 -29.069 -4.188 -9.226 1.00 0.84 O ATOM 177 CB TRP A 11 -31.461 -2.749 -10.464 1.00 1.08 C ATOM 178 CG TRP A 11 -32.537 -3.457 -9.687 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.568 -2.888 -8.993 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.691 -4.885 -9.547 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.333 -3.882 -8.449 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.826 -5.108 -8.760 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.972 -5.991 -10.010 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.256 -6.385 -8.437 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.395 -7.270 -9.688 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.523 -7.467 -8.910 1.00 1.53 C ATOM 0 H TRP A 11 -28.600 -2.295 -10.812 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.724 -1.389 -8.967 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.920 -1.941 -11.034 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.037 -3.448 -11.185 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.749 -1.828 -8.891 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.170 -3.727 -7.887 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.090 -5.849 -10.617 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.138 -6.536 -7.833 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.839 -8.123 -10.048 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.837 -8.472 -8.668 1.00 1.53 H new ATOM 353 N SER A 22 -22.391 5.427 -8.143 1.00 1.32 N ATOM 354 CA SER A 22 -22.518 5.760 -9.566 1.00 0.74 C ATOM 355 C SER A 22 -21.162 5.985 -10.262 1.00 0.68 C ATOM 356 O SER A 22 -20.545 7.043 -10.131 1.00 1.69 O ATOM 357 CB SER A 22 -23.425 6.983 -9.722 1.00 1.62 C ATOM 358 OG SER A 22 -24.595 6.842 -8.921 1.00 1.86 O ATOM 0 HA SER A 22 -22.966 4.900 -10.064 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.884 7.884 -9.431 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.706 7.104 -10.768 1.00 1.62 H new ATOM 0 HG SER A 22 -24.390 6.290 -8.137 1.00 1.86 H new ATOM 364 N TRP A 23 -20.737 4.974 -11.032 1.00 0.69 N ATOM 365 CA TRP A 23 -19.484 4.999 -11.812 1.00 0.41 C ATOM 366 C TRP A 23 -18.243 5.191 -10.931 1.00 0.40 C ATOM 367 O TRP A 23 -17.885 6.317 -10.571 1.00 0.55 O ATOM 368 CB TRP A 23 -19.552 6.082 -12.912 1.00 0.43 C ATOM 369 CG TRP A 23 -20.411 5.672 -14.079 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.498 6.336 -14.581 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.252 4.488 -14.886 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.001 5.620 -15.632 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.269 4.490 -15.847 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.349 3.429 -14.879 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.394 3.472 -16.782 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.466 2.414 -15.809 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.480 2.432 -16.752 1.00 0.31 C ATOM 0 H TRP A 23 -21.258 4.103 -11.135 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.383 4.022 -12.284 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.944 7.005 -12.484 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.544 6.298 -13.266 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.893 7.270 -14.209 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.815 5.895 -16.182 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.556 3.401 -14.146 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.186 3.490 -17.516 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.759 1.598 -15.800 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.559 1.629 -17.470 1.00 0.31 H new ATOM 388 N HIS A 24 -17.584 4.076 -10.606 1.00 0.37 N ATOM 389 CA HIS A 24 -16.374 4.075 -9.790 1.00 0.45 C ATOM 390 C HIS A 24 -15.376 3.062 -10.366 1.00 0.36 C ATOM 391 O HIS A 24 -15.746 1.922 -10.673 1.00 0.34 O ATOM 392 CB HIS A 24 -16.726 3.703 -8.340 1.00 0.61 C ATOM 393 CG HIS A 24 -15.577 3.865 -7.386 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.277 5.038 -6.740 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.638 2.987 -6.967 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.225 4.896 -5.969 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.803 3.646 -6.083 1.00 2.74 N ATOM 0 H HIS A 24 -17.879 3.146 -10.904 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.925 5.068 -9.799 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.557 4.324 -8.005 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.069 2.669 -8.311 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -15.803 5.906 -6.845 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.555 1.954 -7.269 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.782 5.663 -5.351 1.00 2.98 H new ATOM 405 N ASN A 25 -14.115 3.480 -10.498 1.00 0.37 N ATOM 406 CA ASN A 25 -13.043 2.620 -11.023 1.00 0.35 C ATOM 407 C ASN A 25 -12.727 1.514 -10.008 1.00 0.34 C ATOM 408 O ASN A 25 -12.302 1.795 -8.883 1.00 0.55 O ATOM 409 CB ASN A 25 -11.793 3.473 -11.302 1.00 0.44 C ATOM 410 CG ASN A 25 -10.692 2.651 -11.986 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.844 2.210 -13.125 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.582 2.452 -11.290 1.00 1.49 N ATOM 0 H ASN A 25 -13.806 4.419 -10.246 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.365 2.155 -11.955 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.062 4.319 -11.934 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.414 3.882 -10.366 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.815 1.916 -11.696 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.495 2.834 -10.348 1.00 1.49 H new ATOM 419 N VAL A 26 -12.958 0.262 -10.406 1.00 0.22 N ATOM 420 CA VAL A 26 -12.727 -0.894 -9.534 1.00 0.21 C ATOM 421 C VAL A 26 -11.966 -1.992 -10.287 1.00 0.18 C ATOM 422 O VAL A 26 -11.965 -2.034 -11.520 1.00 0.23 O ATOM 423 CB VAL A 26 -14.085 -1.410 -9.010 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.801 -2.290 -10.038 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.921 -2.168 -7.695 1.00 0.31 C ATOM 0 H VAL A 26 -13.307 0.020 -11.333 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.112 -0.596 -8.685 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.704 -0.531 -8.832 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.751 -2.630 -9.627 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.984 -1.714 -10.945 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.178 -3.153 -10.275 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.895 -2.518 -7.353 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.261 -3.022 -7.847 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.489 -1.506 -6.945 1.00 0.31 H new ATOM 435 N TYR A 27 -11.332 -2.884 -9.533 1.00 0.16 N ATOM 436 CA TYR A 27 -10.569 -4.000 -10.100 1.00 0.16 C ATOM 437 C TYR A 27 -11.375 -5.287 -9.946 1.00 0.19 C ATOM 438 O TYR A 27 -11.792 -5.636 -8.841 1.00 0.34 O ATOM 439 CB TYR A 27 -9.221 -4.121 -9.379 1.00 0.17 C ATOM 440 CG TYR A 27 -8.198 -4.944 -10.134 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.456 -4.365 -11.148 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.985 -6.273 -9.800 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.510 -5.109 -11.832 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.042 -7.016 -10.487 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.305 -6.430 -11.497 1.00 0.29 C ATOM 446 OH TYR A 27 -5.363 -7.171 -12.174 1.00 0.37 O ATOM 0 H TYR A 27 -11.330 -2.857 -8.513 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.382 -3.822 -11.159 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.818 -3.122 -9.211 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.382 -4.569 -8.398 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.615 -3.329 -11.407 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.555 -6.728 -9.004 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.934 -4.656 -12.626 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.882 -8.054 -10.234 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.242 -8.034 -11.726 1.00 0.37 H new ATOM 456 N CYS A 28 -11.602 -5.984 -11.054 1.00 0.16 N ATOM 457 CA CYS A 28 -12.371 -7.232 -11.044 1.00 0.19 C ATOM 458 C CYS A 28 -11.474 -8.410 -11.436 1.00 0.19 C ATOM 459 O CYS A 28 -10.621 -8.284 -12.319 1.00 0.23 O ATOM 460 CB CYS A 28 -13.558 -7.120 -12.011 1.00 0.23 C ATOM 461 SG CYS A 28 -14.414 -5.536 -11.886 1.00 0.34 S ATOM 0 H CYS A 28 -11.265 -5.708 -11.976 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.751 -7.407 -10.037 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.203 -7.256 -13.032 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.263 -7.926 -11.808 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.293 -5.592 -10.930 1.00 0.34 H new ATOM 467 N VAL A 29 -11.667 -9.548 -10.766 1.00 0.21 N ATOM 468 CA VAL A 29 -10.885 -10.762 -11.022 1.00 0.24 C ATOM 469 C VAL A 29 -11.810 -11.979 -11.030 1.00 0.26 C ATOM 470 O VAL A 29 -12.427 -12.296 -10.015 1.00 0.38 O ATOM 471 CB VAL A 29 -9.811 -10.933 -9.934 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.021 -12.230 -10.138 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.869 -9.731 -9.910 1.00 0.33 C ATOM 0 H VAL A 29 -12.368 -9.655 -10.032 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.397 -10.674 -11.993 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.318 -10.993 -8.971 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.269 -12.325 -9.355 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.701 -13.081 -10.093 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.531 -12.208 -11.111 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.118 -9.873 -9.133 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.377 -9.635 -10.878 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.439 -8.826 -9.702 1.00 0.33 H new ATOM 483 N ILE A 30 -11.882 -12.669 -12.171 1.00 0.28 N ATOM 484 CA ILE A 30 -12.710 -13.874 -12.307 1.00 0.32 C ATOM 485 C ILE A 30 -11.883 -15.083 -11.869 1.00 0.35 C ATOM 486 O ILE A 30 -10.811 -15.339 -12.422 1.00 0.44 O ATOM 487 CB ILE A 30 -13.188 -14.046 -13.762 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.788 -12.733 -14.291 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.211 -15.183 -13.861 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.240 -12.857 -15.745 1.00 0.57 C ATOM 0 H ILE A 30 -11.375 -12.414 -13.019 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.595 -13.783 -11.678 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.327 -14.304 -14.379 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.637 -12.446 -13.670 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.048 -11.937 -14.208 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.537 -15.290 -14.896 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.754 -16.114 -13.527 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.071 -14.955 -13.231 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.658 -11.907 -16.079 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.386 -13.118 -16.370 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.999 -13.635 -15.825 1.00 0.57 H new ATOM 502 N ASN A 31 -12.369 -15.800 -10.860 1.00 0.46 N ATOM 503 CA ASN A 31 -11.667 -16.966 -10.319 1.00 0.58 C ATOM 504 C ASN A 31 -12.647 -18.117 -10.080 1.00 0.71 C ATOM 505 O ASN A 31 -13.218 -18.251 -8.993 1.00 1.20 O ATOM 506 CB ASN A 31 -10.951 -16.573 -9.010 1.00 0.73 C ATOM 507 CG ASN A 31 -9.915 -17.621 -8.597 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.057 -18.281 -7.566 1.00 1.27 O ATOM 509 ND2 ASN A 31 -8.867 -17.770 -9.388 1.00 1.47 N ATOM 0 H ASN A 31 -13.253 -15.594 -10.395 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.923 -17.305 -11.040 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.461 -15.608 -9.138 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.686 -16.454 -8.214 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.143 -18.449 -9.153 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -8.782 -17.206 -10.234 1.00 1.47 H new ATOM 516 N ASN A 32 -12.813 -18.952 -11.109 1.00 0.85 N ATOM 517 CA ASN A 32 -13.692 -20.134 -11.070 1.00 1.00 C ATOM 518 C ASN A 32 -15.166 -19.748 -10.841 1.00 1.00 C ATOM 519 O ASN A 32 -15.675 -19.872 -9.729 1.00 1.97 O ATOM 520 CB ASN A 32 -13.205 -21.116 -9.978 1.00 1.24 C ATOM 521 CG ASN A 32 -13.963 -22.447 -10.046 1.00 1.73 C ATOM 522 OD1 ASN A 32 -13.858 -23.184 -11.027 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.723 -22.755 -9.003 1.00 2.52 N ATOM 0 H ASN A 32 -12.338 -18.829 -12.003 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.639 -20.625 -12.042 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.137 -21.297 -10.099 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.343 -20.667 -8.995 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.247 -23.630 -8.995 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.783 -22.117 -8.210 1.00 2.52 H new ATOM 530 N GLN A 33 -15.841 -19.295 -11.911 1.00 0.75 N ATOM 531 CA GLN A 33 -17.272 -18.901 -11.882 1.00 0.67 C ATOM 532 C GLN A 33 -17.553 -17.642 -11.041 1.00 0.56 C ATOM 533 O GLN A 33 -18.513 -16.901 -11.343 1.00 0.71 O ATOM 534 CB GLN A 33 -18.152 -20.056 -11.375 1.00 0.83 C ATOM 535 CG GLN A 33 -18.095 -21.265 -12.313 1.00 1.46 C ATOM 536 CD GLN A 33 -19.130 -22.305 -11.890 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.783 -23.394 -11.430 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.402 -21.968 -12.029 1.00 2.67 N ATOM 0 H GLN A 33 -15.412 -19.189 -12.830 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.524 -18.661 -12.915 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.825 -20.353 -10.379 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.183 -19.715 -11.283 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.284 -20.949 -13.339 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.098 -21.704 -12.293 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.649 -21.056 -12.414 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.136 -22.620 -11.751 1.00 2.67 H new ATOM 547 N GLU A 34 -16.753 -17.415 -9.981 1.00 0.53 N ATOM 548 CA GLU A 34 -16.944 -16.270 -9.092 1.00 0.49 C ATOM 549 C GLU A 34 -15.968 -15.148 -9.435 1.00 0.45 C ATOM 550 O GLU A 34 -14.801 -15.398 -9.733 1.00 0.64 O ATOM 551 CB GLU A 34 -16.749 -16.709 -7.635 1.00 0.61 C ATOM 552 CG GLU A 34 -17.648 -17.900 -7.277 1.00 1.25 C ATOM 553 CD GLU A 34 -17.445 -18.294 -5.820 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.825 -17.511 -4.924 1.00 1.79 O ATOM 555 OE2 GLU A 34 -16.912 -19.395 -5.567 1.00 1.89 O ATOM 0 H GLU A 34 -15.969 -18.015 -9.726 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.958 -15.892 -9.224 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.705 -16.979 -7.473 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.969 -15.874 -6.970 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.693 -17.641 -7.449 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.419 -18.746 -7.925 1.00 1.25 H new ATOM 562 N MET A 35 -16.450 -13.909 -9.365 1.00 0.36 N ATOM 563 CA MET A 35 -15.633 -12.733 -9.639 1.00 0.35 C ATOM 564 C MET A 35 -15.446 -11.950 -8.345 1.00 0.32 C ATOM 565 O MET A 35 -16.398 -11.753 -7.591 1.00 0.42 O ATOM 566 CB MET A 35 -16.278 -11.861 -10.729 1.00 0.41 C ATOM 567 CG MET A 35 -17.534 -11.136 -10.238 1.00 0.43 C ATOM 568 SD MET A 35 -18.376 -10.226 -11.551 1.00 0.60 S ATOM 569 CE MET A 35 -17.133 -9.004 -12.006 1.00 1.25 C ATOM 0 H MET A 35 -17.416 -13.694 -9.117 1.00 0.36 H new ATOM 0 HA MET A 35 -14.658 -13.045 -10.012 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.552 -11.126 -11.078 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.535 -12.486 -11.584 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.222 -11.863 -9.807 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.261 -10.445 -9.441 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.620 -8.054 -12.228 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.435 -8.870 -11.179 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.590 -9.347 -12.887 1.00 1.25 H new ATOM 579 N GLY A 36 -14.213 -11.534 -8.082 1.00 0.27 N ATOM 580 CA GLY A 36 -13.874 -10.793 -6.867 1.00 0.29 C ATOM 581 C GLY A 36 -13.624 -9.316 -7.163 1.00 0.25 C ATOM 582 O GLY A 36 -12.768 -8.977 -7.986 1.00 0.28 O ATOM 0 H GLY A 36 -13.420 -11.699 -8.702 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.684 -10.888 -6.144 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.986 -11.229 -6.410 1.00 0.29 H new ATOM 586 N PHE A 37 -14.365 -8.442 -6.477 1.00 0.24 N ATOM 587 CA PHE A 37 -14.223 -6.988 -6.638 1.00 0.25 C ATOM 588 C PHE A 37 -13.201 -6.454 -5.627 1.00 0.25 C ATOM 589 O PHE A 37 -13.484 -6.359 -4.428 1.00 0.40 O ATOM 590 CB PHE A 37 -15.574 -6.293 -6.436 1.00 0.30 C ATOM 591 CG PHE A 37 -16.576 -6.608 -7.528 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.307 -6.263 -8.847 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.765 -7.250 -7.213 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.225 -6.558 -9.843 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.681 -7.542 -8.211 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.412 -7.175 -9.530 1.00 0.33 C ATOM 0 H PHE A 37 -15.076 -8.717 -5.799 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.873 -6.777 -7.649 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.989 -6.592 -5.474 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.418 -5.215 -6.395 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.382 -5.765 -9.096 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.977 -7.522 -6.190 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.006 -6.302 -10.869 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.601 -8.053 -7.968 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.137 -7.376 -10.305 1.00 0.33 H new ATOM 606 N TYR A 38 -12.014 -6.118 -6.121 1.00 0.20 N ATOM 607 CA TYR A 38 -10.920 -5.603 -5.285 1.00 0.21 C ATOM 608 C TYR A 38 -10.551 -4.166 -5.687 1.00 0.21 C ATOM 609 O TYR A 38 -11.229 -3.531 -6.501 1.00 0.23 O ATOM 610 CB TYR A 38 -9.686 -6.510 -5.431 1.00 0.23 C ATOM 611 CG TYR A 38 -9.965 -7.977 -5.164 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.058 -8.447 -3.863 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.148 -8.851 -6.221 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.329 -9.786 -3.626 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.415 -10.188 -5.984 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.440 -10.658 -4.670 1.00 0.44 C ATOM 617 OH TYR A 38 -10.778 -11.977 -4.452 1.00 0.55 O ATOM 0 H TYR A 38 -11.777 -6.193 -7.110 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.254 -5.597 -4.248 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.287 -6.404 -6.440 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.912 -6.167 -4.744 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.919 -7.770 -3.033 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.082 -8.488 -7.236 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.453 -10.140 -2.613 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.602 -10.861 -6.808 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.812 -12.452 -5.309 1.00 0.55 H new ATOM 627 N LYS A 39 -9.461 -3.664 -5.099 1.00 0.25 N ATOM 628 CA LYS A 39 -8.962 -2.305 -5.364 1.00 0.29 C ATOM 629 C LYS A 39 -8.018 -2.294 -6.573 1.00 0.28 C ATOM 630 O LYS A 39 -8.059 -1.379 -7.396 1.00 0.33 O ATOM 631 CB LYS A 39 -8.234 -1.776 -4.119 1.00 0.36 C ATOM 632 CG LYS A 39 -8.336 -0.259 -4.003 1.00 0.70 C ATOM 633 CD LYS A 39 -7.927 0.216 -2.608 1.00 1.15 C ATOM 634 CE LYS A 39 -6.454 0.632 -2.573 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.265 2.038 -3.029 1.00 2.51 N ATOM 0 H LYS A 39 -8.898 -4.185 -4.426 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.810 -1.659 -5.593 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.658 -2.238 -3.227 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.184 -2.067 -4.161 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.697 0.210 -4.752 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.358 0.057 -4.213 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.552 1.058 -2.310 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.100 -0.581 -1.885 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.070 0.524 -1.559 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.872 -0.037 -3.207 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.255 2.282 -2.991 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.608 2.135 -4.006 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.800 2.679 -2.409 1.00 2.51 H new ATOM 649 N ASP A 40 -7.164 -3.316 -6.661 1.00 0.28 N ATOM 650 CA ASP A 40 -6.194 -3.457 -7.754 1.00 0.32 C ATOM 651 C ASP A 40 -5.641 -4.888 -7.779 1.00 0.33 C ATOM 652 O ASP A 40 -6.111 -5.759 -7.035 1.00 0.32 O ATOM 653 CB ASP A 40 -5.049 -2.425 -7.618 1.00 0.38 C ATOM 654 CG ASP A 40 -4.098 -2.731 -6.454 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.495 -3.487 -5.549 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.955 -2.232 -6.449 1.00 0.94 O ATOM 0 H ASP A 40 -7.124 -4.071 -5.977 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.703 -3.261 -8.698 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.480 -2.398 -8.547 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.477 -1.432 -7.478 1.00 0.38 H new ATOM 661 N ALA A 41 -4.641 -5.128 -8.634 1.00 0.40 N ATOM 662 CA ALA A 41 -4.013 -6.456 -8.762 1.00 0.45 C ATOM 663 C ALA A 41 -3.376 -6.907 -7.440 1.00 0.45 C ATOM 664 O ALA A 41 -3.481 -8.076 -7.061 1.00 0.47 O ATOM 665 CB ALA A 41 -2.954 -6.436 -9.862 1.00 0.55 C ATOM 0 H ALA A 41 -4.245 -4.420 -9.252 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.796 -7.167 -9.023 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.498 -7.422 -9.946 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.420 -6.169 -10.811 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.187 -5.702 -9.615 1.00 0.55 H new ATOM 671 N LYS A 42 -2.733 -5.970 -6.735 1.00 0.46 N ATOM 672 CA LYS A 42 -2.091 -6.259 -5.442 1.00 0.48 C ATOM 673 C LYS A 42 -3.146 -6.668 -4.403 1.00 0.43 C ATOM 674 O LYS A 42 -2.969 -7.644 -3.671 1.00 0.47 O ATOM 675 CB LYS A 42 -1.313 -5.030 -4.953 1.00 0.54 C ATOM 676 CG LYS A 42 -0.315 -4.540 -6.008 1.00 0.77 C ATOM 677 CD LYS A 42 0.721 -3.583 -5.406 1.00 1.12 C ATOM 678 CE LYS A 42 0.089 -2.246 -4.997 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.462 -1.510 -6.172 1.00 2.76 N ATOM 0 H LYS A 42 -2.642 -5.000 -7.037 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.394 -7.086 -5.574 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.011 -4.229 -4.711 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.781 -5.277 -4.034 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.194 -5.395 -6.452 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.852 -4.036 -6.811 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.183 -4.048 -4.535 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.515 -3.403 -6.131 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.708 -2.426 -4.275 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.836 -1.628 -4.499 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.213 -0.503 -6.099 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.061 -1.903 -7.047 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.497 -1.610 -6.190 1.00 2.76 H new ATOM 693 N SER A 43 -4.253 -5.919 -4.365 1.00 0.38 N ATOM 694 CA SER A 43 -5.364 -6.189 -3.442 1.00 0.38 C ATOM 695 C SER A 43 -6.036 -7.530 -3.763 1.00 0.39 C ATOM 696 O SER A 43 -6.502 -8.226 -2.863 1.00 0.45 O ATOM 697 CB SER A 43 -6.392 -5.059 -3.522 1.00 0.37 C ATOM 698 OG SER A 43 -5.763 -3.797 -3.339 1.00 1.04 O ATOM 0 H SER A 43 -4.405 -5.112 -4.970 1.00 0.38 H new ATOM 0 HA SER A 43 -4.962 -6.244 -2.431 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.894 -5.084 -4.489 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.159 -5.203 -2.761 1.00 0.37 H new ATOM 0 HG SER A 43 -5.265 -3.559 -4.149 1.00 1.04 H new ATOM 704 N ALA A 44 -6.074 -7.886 -5.050 1.00 0.37 N ATOM 705 CA ALA A 44 -6.680 -9.146 -5.501 1.00 0.43 C ATOM 706 C ALA A 44 -5.808 -10.337 -5.099 1.00 0.51 C ATOM 707 O ALA A 44 -6.315 -11.359 -4.634 1.00 0.59 O ATOM 708 CB ALA A 44 -6.873 -9.125 -7.020 1.00 0.43 C ATOM 0 H ALA A 44 -5.690 -7.316 -5.804 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.653 -9.252 -5.021 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.323 -10.064 -7.343 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.527 -8.297 -7.292 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.906 -8.999 -7.508 1.00 0.43 H new ATOM 714 N ALA A 45 -4.493 -10.190 -5.272 1.00 0.54 N ATOM 715 CA ALA A 45 -3.531 -11.241 -4.926 1.00 0.64 C ATOM 716 C ALA A 45 -3.451 -11.433 -3.404 1.00 0.68 C ATOM 717 O ALA A 45 -3.331 -12.557 -2.922 1.00 0.76 O ATOM 718 CB ALA A 45 -2.148 -10.887 -5.485 1.00 0.69 C ATOM 0 H ALA A 45 -4.066 -9.346 -5.653 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.870 -12.177 -5.370 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.438 -11.672 -5.224 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.206 -10.796 -6.570 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.815 -9.941 -5.059 1.00 0.69 H new ATOM 724 N SER A 46 -3.520 -10.328 -2.657 1.00 0.65 N ATOM 725 CA SER A 46 -3.453 -10.364 -1.189 1.00 0.73 C ATOM 726 C SER A 46 -4.809 -10.768 -0.578 1.00 0.74 C ATOM 727 O SER A 46 -4.854 -11.452 0.446 1.00 0.84 O ATOM 728 CB SER A 46 -3.017 -8.988 -0.662 1.00 0.75 C ATOM 729 OG SER A 46 -2.326 -9.114 0.576 1.00 1.21 O ATOM 0 H SER A 46 -3.623 -9.390 -3.045 1.00 0.65 H new ATOM 0 HA SER A 46 -2.720 -11.115 -0.893 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.373 -8.501 -1.394 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.891 -8.350 -0.532 1.00 0.75 H new ATOM 0 HG SER A 46 -2.056 -8.226 0.892 1.00 1.21 H new ATOM 735 N GLY A 47 -5.905 -10.343 -1.211 1.00 0.70 N ATOM 736 CA GLY A 47 -7.262 -10.655 -0.738 1.00 0.74 C ATOM 737 C GLY A 47 -7.796 -9.545 0.165 1.00 0.75 C ATOM 738 O GLY A 47 -8.213 -9.800 1.299 1.00 0.88 O ATOM 0 H GLY A 47 -5.881 -9.777 -2.059 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.927 -10.786 -1.591 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.253 -11.599 -0.193 1.00 0.74 H new ATOM 742 N ILE A 48 -7.782 -8.312 -0.352 1.00 0.67 N ATOM 743 CA ILE A 48 -8.261 -7.132 0.381 1.00 0.72 C ATOM 744 C ILE A 48 -9.578 -6.649 -0.239 1.00 0.75 C ATOM 745 O ILE A 48 -9.599 -6.218 -1.394 1.00 0.75 O ATOM 746 CB ILE A 48 -7.203 -6.015 0.319 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.894 -6.467 0.982 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.720 -4.734 0.981 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.755 -5.479 0.716 1.00 0.97 C ATOM 0 H ILE A 48 -7.439 -8.102 -1.289 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.432 -7.395 1.425 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.003 -5.802 -0.731 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -6.046 -6.567 2.057 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.617 -7.452 0.606 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.954 -3.960 0.924 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.618 -4.394 0.465 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.956 -4.934 2.026 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.845 -5.833 1.201 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.586 -5.399 -0.358 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.022 -4.500 1.115 1.00 0.97 H new ATOM 761 N PRO A 49 -10.696 -6.714 0.517 1.00 0.84 N ATOM 762 CA PRO A 49 -12.022 -6.283 0.022 1.00 0.93 C ATOM 763 C PRO A 49 -12.122 -4.760 -0.139 1.00 0.93 C ATOM 764 O PRO A 49 -11.717 -4.004 0.749 1.00 1.08 O ATOM 765 CB PRO A 49 -12.995 -6.794 1.086 1.00 1.07 C ATOM 766 CG PRO A 49 -12.184 -6.912 2.336 1.00 1.06 C ATOM 767 CD PRO A 49 -10.765 -7.206 1.908 1.00 0.92 C ATOM 0 HA PRO A 49 -12.232 -6.677 -0.972 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.828 -6.104 1.221 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.421 -7.756 0.801 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.230 -5.990 2.915 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.569 -7.708 2.973 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -10.043 -6.697 2.547 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.545 -8.272 1.965 1.00 0.92 H new ATOM 775 N TYR A 50 -12.651 -4.319 -1.284 1.00 0.87 N ATOM 776 CA TYR A 50 -12.794 -2.884 -1.587 1.00 0.91 C ATOM 777 C TYR A 50 -14.269 -2.469 -1.736 1.00 1.12 C ATOM 778 O TYR A 50 -14.563 -1.411 -2.290 1.00 1.91 O ATOM 779 CB TYR A 50 -12.031 -2.554 -2.878 1.00 0.92 C ATOM 780 CG TYR A 50 -11.880 -1.064 -3.108 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.243 -0.276 -2.162 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.400 -0.479 -4.251 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.125 1.089 -2.361 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.277 0.885 -4.450 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.642 1.663 -3.503 1.00 1.17 C ATOM 786 OH TYR A 50 -11.532 3.021 -3.693 1.00 1.34 O ATOM 0 H TYR A 50 -12.990 -4.935 -2.023 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.377 -2.324 -0.750 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.043 -3.012 -2.838 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.553 -2.997 -3.726 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.838 -0.728 -1.268 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.902 -1.088 -4.988 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.629 1.703 -1.623 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.677 1.340 -5.344 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.153 3.304 -4.396 1.00 1.34 H new ATOM 796 N HIS A 51 -15.193 -3.286 -1.242 1.00 1.28 N ATOM 797 CA HIS A 51 -16.628 -2.984 -1.328 1.00 1.53 C ATOM 798 C HIS A 51 -17.403 -3.855 -0.341 1.00 1.61 C ATOM 799 O HIS A 51 -16.827 -4.732 0.315 1.00 2.07 O ATOM 800 CB HIS A 51 -17.145 -3.233 -2.765 1.00 2.01 C ATOM 801 CG HIS A 51 -17.905 -2.074 -3.335 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.255 -2.101 -3.563 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.507 -0.838 -3.720 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.673 -0.959 -4.054 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.625 -0.156 -4.168 1.00 3.74 N ATOM 0 H HIS A 51 -14.978 -4.167 -0.775 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.780 -1.934 -1.077 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.298 -3.457 -3.414 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.787 -4.114 -2.764 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.856 -2.903 -3.376 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -16.498 -0.454 -3.684 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.691 -0.716 -4.319 1.00 3.87 H new ATOM 813 N SER A 52 -18.723 -3.637 -0.266 1.00 1.60 N ATOM 814 CA SER A 52 -19.600 -4.428 0.607 1.00 1.96 C ATOM 815 C SER A 52 -19.621 -5.866 0.085 1.00 1.85 C ATOM 816 O SER A 52 -19.417 -6.822 0.837 1.00 2.45 O ATOM 817 CB SER A 52 -21.023 -3.828 0.642 1.00 2.44 C ATOM 818 OG SER A 52 -21.268 -2.997 -0.492 1.00 2.65 O ATOM 0 H SER A 52 -19.208 -2.917 -0.801 1.00 1.60 H new ATOM 0 HA SER A 52 -19.222 -4.414 1.629 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.758 -4.633 0.670 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.152 -3.247 1.555 1.00 2.44 H new ATOM 0 HG SER A 52 -21.060 -3.492 -1.312 1.00 2.65 H new ATOM 824 N GLU A 53 -19.804 -5.991 -1.228 1.00 1.45 N ATOM 825 CA GLU A 53 -19.788 -7.270 -1.912 1.00 1.37 C ATOM 826 C GLU A 53 -18.424 -7.431 -2.588 1.00 1.08 C ATOM 827 O GLU A 53 -17.845 -6.451 -3.068 1.00 1.24 O ATOM 828 CB GLU A 53 -20.945 -7.347 -2.934 1.00 1.73 C ATOM 829 CG GLU A 53 -20.672 -6.633 -4.277 1.00 2.39 C ATOM 830 CD GLU A 53 -21.065 -5.160 -4.232 1.00 2.88 C ATOM 831 OE1 GLU A 53 -20.699 -4.455 -3.268 1.00 3.23 O ATOM 832 OE2 GLU A 53 -21.739 -4.699 -5.177 1.00 3.46 O ATOM 0 H GLU A 53 -19.968 -5.197 -1.847 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.935 -8.085 -1.204 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.165 -8.396 -3.134 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.838 -6.914 -2.484 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -19.614 -6.718 -4.524 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.226 -7.132 -5.072 1.00 2.39 H new ATOM 839 N VAL A 54 -17.909 -8.650 -2.633 1.00 0.84 N ATOM 840 CA VAL A 54 -16.618 -8.911 -3.265 1.00 0.66 C ATOM 841 C VAL A 54 -16.704 -10.220 -4.063 1.00 0.55 C ATOM 842 O VAL A 54 -16.764 -10.158 -5.288 1.00 0.49 O ATOM 843 CB VAL A 54 -15.487 -8.879 -2.216 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.154 -9.350 -2.814 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.339 -7.460 -1.657 1.00 1.34 C ATOM 0 H VAL A 54 -18.362 -9.476 -2.241 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.369 -8.125 -3.978 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.752 -9.563 -1.410 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.379 -9.315 -2.048 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.259 -10.372 -3.177 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.876 -8.698 -3.642 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.539 -7.442 -0.917 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.098 -6.773 -2.468 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.274 -7.154 -1.188 1.00 1.34 H new ATOM 855 N PRO A 55 -16.739 -11.420 -3.416 1.00 0.62 N ATOM 856 CA PRO A 55 -16.856 -12.701 -4.151 1.00 0.59 C ATOM 857 C PRO A 55 -18.279 -12.889 -4.704 1.00 0.58 C ATOM 858 O PRO A 55 -19.149 -13.446 -4.026 1.00 0.83 O ATOM 859 CB PRO A 55 -16.545 -13.764 -3.093 1.00 0.76 C ATOM 860 CG PRO A 55 -16.907 -13.126 -1.788 1.00 0.87 C ATOM 861 CD PRO A 55 -16.678 -11.642 -1.956 1.00 0.83 C ATOM 0 HA PRO A 55 -16.188 -12.751 -5.011 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.124 -14.672 -3.263 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.493 -14.048 -3.116 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.946 -13.331 -1.531 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.294 -13.524 -0.979 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.439 -11.062 -1.434 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.713 -11.341 -1.549 1.00 0.83 H new ATOM 869 N VAL A 56 -18.516 -12.411 -5.925 1.00 0.41 N ATOM 870 CA VAL A 56 -19.834 -12.511 -6.561 1.00 0.43 C ATOM 871 C VAL A 56 -19.845 -13.656 -7.574 1.00 0.42 C ATOM 872 O VAL A 56 -18.964 -13.753 -8.426 1.00 0.43 O ATOM 873 CB VAL A 56 -20.189 -11.176 -7.237 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.506 -11.283 -8.011 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.282 -10.059 -6.194 1.00 0.63 C ATOM 0 H VAL A 56 -17.810 -11.948 -6.498 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.585 -12.724 -5.801 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.395 -10.936 -7.945 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.732 -10.325 -8.479 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.415 -12.050 -8.780 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.310 -11.551 -7.326 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.534 -9.120 -6.688 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.055 -10.305 -5.466 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.324 -9.956 -5.685 1.00 0.63 H new ATOM 885 N SER A 57 -20.844 -14.525 -7.459 1.00 0.47 N ATOM 886 CA SER A 57 -21.002 -15.683 -8.329 1.00 0.48 C ATOM 887 C SER A 57 -21.685 -15.287 -9.648 1.00 0.46 C ATOM 888 O SER A 57 -22.806 -14.771 -9.643 1.00 0.59 O ATOM 889 CB SER A 57 -21.837 -16.743 -7.598 1.00 0.61 C ATOM 890 OG SER A 57 -21.833 -16.546 -6.183 1.00 0.91 O ATOM 0 H SER A 57 -21.574 -14.443 -6.751 1.00 0.47 H new ATOM 0 HA SER A 57 -20.019 -16.087 -8.570 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.863 -16.713 -7.965 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.445 -17.734 -7.827 1.00 0.61 H new ATOM 0 HG SER A 57 -22.377 -17.240 -5.755 1.00 0.91 H new ATOM 896 N LEU A 58 -21.017 -15.546 -10.775 1.00 0.44 N ATOM 897 CA LEU A 58 -21.567 -15.234 -12.102 1.00 0.49 C ATOM 898 C LEU A 58 -22.440 -16.393 -12.592 1.00 0.60 C ATOM 899 O LEU A 58 -22.272 -16.885 -13.709 1.00 0.89 O ATOM 900 CB LEU A 58 -20.434 -14.969 -13.108 1.00 0.67 C ATOM 901 CG LEU A 58 -19.659 -13.689 -12.776 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.394 -13.591 -13.635 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.536 -12.452 -12.977 1.00 0.60 C ATOM 0 H LEU A 58 -20.091 -15.973 -10.797 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.177 -14.335 -12.022 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.749 -15.817 -13.114 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.852 -14.890 -14.112 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.366 -13.732 -11.727 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.855 -12.676 -13.387 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.755 -14.452 -13.441 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.670 -13.574 -14.689 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.963 -11.557 -12.735 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.864 -12.403 -14.015 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.407 -12.513 -12.324 1.00 0.60 H new ATOM 915 N LYS A 59 -23.369 -16.828 -11.749 1.00 0.70 N ATOM 916 CA LYS A 59 -24.272 -17.928 -12.084 1.00 0.90 C ATOM 917 C LYS A 59 -25.401 -17.405 -12.973 1.00 0.87 C ATOM 918 O LYS A 59 -26.244 -16.629 -12.518 1.00 0.95 O ATOM 919 CB LYS A 59 -24.832 -18.553 -10.796 1.00 1.13 C ATOM 920 CG LYS A 59 -24.569 -20.058 -10.749 1.00 1.41 C ATOM 921 CD LYS A 59 -25.377 -20.804 -11.813 1.00 1.78 C ATOM 922 CE LYS A 59 -25.128 -22.316 -11.750 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.044 -22.921 -13.110 1.00 2.83 N ATOM 0 H LYS A 59 -23.519 -16.433 -10.820 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.728 -18.700 -12.629 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.376 -18.075 -9.929 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.904 -18.367 -10.735 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -23.506 -20.247 -10.899 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.825 -20.442 -9.761 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.439 -20.603 -11.672 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.110 -20.431 -12.802 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.202 -22.510 -11.208 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.931 -22.793 -11.189 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -24.875 -23.944 -13.025 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.937 -22.758 -13.618 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.261 -22.483 -13.637 1.00 2.83 H new ATOM 937 N GLU A 60 -25.385 -17.816 -14.247 1.00 0.89 N ATOM 938 CA GLU A 60 -26.380 -17.387 -15.243 1.00 0.93 C ATOM 939 C GLU A 60 -26.340 -15.862 -15.405 1.00 0.71 C ATOM 940 O GLU A 60 -27.378 -15.200 -15.492 1.00 0.82 O ATOM 941 CB GLU A 60 -27.797 -17.853 -14.856 1.00 1.20 C ATOM 942 CG GLU A 60 -27.847 -19.346 -14.485 1.00 1.43 C ATOM 943 CD GLU A 60 -27.857 -20.226 -15.730 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.051 -19.984 -16.649 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.657 -21.177 -15.788 1.00 2.33 O ATOM 0 H GLU A 60 -24.683 -18.456 -14.618 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.128 -17.851 -16.197 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.153 -17.261 -14.013 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.477 -17.666 -15.687 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.986 -19.598 -13.866 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -28.738 -19.545 -13.889 1.00 1.43 H new ATOM 952 N ALA A 61 -25.123 -15.315 -15.434 1.00 0.51 N ATOM 953 CA ALA A 61 -24.908 -13.875 -15.567 1.00 0.35 C ATOM 954 C ALA A 61 -25.138 -13.435 -17.011 1.00 0.35 C ATOM 955 O ALA A 61 -24.352 -13.762 -17.900 1.00 0.43 O ATOM 956 CB ALA A 61 -23.480 -13.523 -15.133 1.00 0.31 C ATOM 0 H ALA A 61 -24.262 -15.857 -15.366 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.618 -13.352 -14.927 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.323 -12.449 -15.234 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.333 -13.815 -14.093 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.767 -14.054 -15.763 1.00 0.31 H new ATOM 962 N ILE A 62 -26.216 -12.686 -17.236 1.00 0.34 N ATOM 963 CA ILE A 62 -26.546 -12.187 -18.568 1.00 0.37 C ATOM 964 C ILE A 62 -25.735 -10.922 -18.834 1.00 0.31 C ATOM 965 O ILE A 62 -25.671 -10.027 -17.985 1.00 0.31 O ATOM 966 CB ILE A 62 -28.044 -11.881 -18.678 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.886 -13.125 -18.355 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.376 -11.361 -20.078 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.373 -12.781 -18.217 1.00 1.27 C ATOM 0 H ILE A 62 -26.877 -12.411 -16.510 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.302 -12.950 -19.308 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.289 -11.109 -17.948 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.756 -13.868 -19.142 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.529 -13.576 -17.429 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.443 -11.147 -20.143 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.811 -10.449 -20.271 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.111 -12.116 -20.819 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.936 -13.686 -17.989 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.506 -12.058 -17.412 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.736 -12.354 -19.152 1.00 1.27 H new ATOM 981 N CYS A 63 -25.105 -10.863 -19.998 1.00 0.34 N ATOM 982 CA CYS A 63 -24.272 -9.725 -20.379 1.00 0.33 C ATOM 983 C CYS A 63 -24.776 -9.109 -21.686 1.00 0.34 C ATOM 984 O CYS A 63 -24.732 -9.745 -22.741 1.00 0.52 O ATOM 985 CB CYS A 63 -22.818 -10.195 -20.517 1.00 0.37 C ATOM 986 SG CYS A 63 -21.631 -8.873 -20.237 1.00 0.53 S ATOM 0 H CYS A 63 -25.154 -11.597 -20.704 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.326 -8.955 -19.609 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.632 -11.001 -19.807 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.667 -10.608 -21.514 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.536 -9.370 -19.743 1.00 0.53 H new ATOM 992 N GLU A 64 -25.244 -7.862 -21.603 1.00 0.26 N ATOM 993 CA GLU A 64 -25.749 -7.126 -22.769 1.00 0.29 C ATOM 994 C GLU A 64 -24.747 -6.039 -23.155 1.00 0.24 C ATOM 995 O GLU A 64 -24.024 -5.524 -22.305 1.00 0.36 O ATOM 996 CB GLU A 64 -27.107 -6.486 -22.457 1.00 0.33 C ATOM 997 CG GLU A 64 -28.129 -7.521 -21.976 1.00 0.81 C ATOM 998 CD GLU A 64 -29.440 -6.842 -21.599 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.604 -5.636 -21.888 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.310 -7.511 -21.005 1.00 1.96 O ATOM 0 H GLU A 64 -25.285 -7.334 -20.731 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.876 -7.824 -23.597 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.980 -5.719 -21.693 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.487 -5.988 -23.349 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.306 -8.257 -22.760 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.732 -8.061 -21.116 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.708 -5.688 -24.431 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.792 -4.661 -24.925 1.00 0.32 C ATOM 1009 C VAL A 65 -24.455 -3.277 -24.864 1.00 0.31 C ATOM 1010 O VAL A 65 -25.644 -3.128 -25.168 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.373 -4.986 -26.370 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.275 -4.030 -26.846 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.896 -6.439 -26.495 1.00 0.39 C ATOM 0 H VAL A 65 -25.302 -6.100 -25.150 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.905 -4.647 -24.292 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.250 -4.856 -27.004 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.995 -4.279 -27.870 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.644 -3.005 -26.810 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.404 -4.125 -26.198 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.607 -6.639 -27.527 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.039 -6.598 -25.840 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.703 -7.113 -26.207 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.666 -2.274 -24.484 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.118 -0.881 -24.390 1.00 0.31 C ATOM 1025 C ALA A 66 -23.077 0.010 -25.075 1.00 0.34 C ATOM 1026 O ALA A 66 -22.285 0.692 -24.419 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.304 -0.469 -22.922 1.00 0.36 C ATOM 0 H ALA A 66 -22.687 -2.403 -24.230 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.083 -0.770 -24.885 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.639 0.567 -22.875 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.049 -1.113 -22.455 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.356 -0.568 -22.393 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.074 -0.031 -26.409 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.128 0.739 -27.233 1.00 0.71 C ATOM 1035 C LEU A 67 -22.441 2.245 -27.221 1.00 0.89 C ATOM 1036 O LEU A 67 -21.596 3.060 -27.599 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.156 0.211 -28.680 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.747 -0.063 -29.214 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.367 -1.523 -28.985 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.655 0.276 -30.702 1.00 1.39 C ATOM 0 H LEU A 67 -23.725 -0.597 -26.952 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.134 0.609 -26.805 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.745 -0.706 -28.721 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.653 0.938 -29.322 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.048 0.573 -28.671 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.363 -1.702 -29.370 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.391 -1.742 -27.918 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.075 -2.169 -29.504 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.645 0.074 -31.060 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.366 -0.334 -31.259 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.888 1.331 -30.850 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.653 2.611 -26.807 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.074 4.015 -26.762 1.00 1.14 C ATOM 1054 C ASP A 68 -24.800 4.293 -25.443 1.00 0.87 C ATOM 1055 O ASP A 68 -26.031 4.351 -25.401 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.980 4.323 -27.971 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.394 5.795 -28.003 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.507 6.661 -28.149 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.599 6.089 -27.874 1.00 2.62 O ATOM 0 H ASP A 68 -24.366 1.952 -26.496 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.200 4.665 -26.815 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.456 4.072 -28.893 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.870 3.695 -27.929 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.031 4.463 -24.363 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.594 4.738 -23.038 1.00 0.69 C ATOM 1066 C TYR A 69 -24.249 6.166 -22.594 1.00 0.97 C ATOM 1067 O TYR A 69 -23.446 6.380 -21.679 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.096 3.709 -22.012 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.774 3.860 -20.665 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.156 3.804 -20.575 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.019 4.080 -19.524 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.778 3.970 -19.352 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.648 4.240 -18.299 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.022 4.187 -18.220 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.640 4.358 -17.004 1.00 0.97 O ATOM 0 H TYR A 69 -23.012 4.415 -24.381 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.679 4.653 -23.100 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.274 2.704 -22.394 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.019 3.817 -21.887 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.748 3.630 -21.462 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.942 4.127 -19.589 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.855 3.930 -19.283 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.061 4.406 -17.408 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.963 4.499 -16.310 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.779 2.640 -24.462 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.957 1.182 -24.535 1.00 0.38 C ATOM 1175 C HIS A 74 -18.299 0.615 -23.162 1.00 0.30 C ATOM 1176 O HIS A 74 -17.438 0.513 -22.282 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.683 0.537 -25.100 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.615 0.631 -26.598 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.686 1.381 -27.269 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -17.400 0.101 -27.571 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.880 1.327 -28.563 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.925 0.549 -28.788 1.00 1.53 N ATOM 0 HA HIS A 74 -18.788 0.954 -25.202 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.809 1.024 -24.667 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.645 -0.511 -24.801 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -18.245 -0.554 -27.420 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.290 1.830 -29.315 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -17.313 0.319 -29.703 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.574 0.261 -22.994 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.100 -0.291 -21.742 1.00 0.23 C ATOM 1192 C VAL A 75 -20.871 -1.590 -22.019 1.00 0.22 C ATOM 1193 O VAL A 75 -21.344 -1.816 -23.134 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.042 0.755 -21.099 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.719 0.220 -19.832 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.284 2.045 -20.781 1.00 0.31 C ATOM 0 H VAL A 75 -20.277 0.349 -23.728 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.277 -0.517 -21.064 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.823 0.969 -21.829 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.370 0.988 -19.415 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.310 -0.662 -20.080 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.958 -0.048 -19.098 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.966 2.766 -20.330 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.473 1.828 -20.086 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.872 2.461 -21.700 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.034 -2.413 -20.991 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.803 -3.655 -21.092 1.00 0.23 C ATOM 1208 C PHE A 76 -22.593 -3.828 -19.799 1.00 0.22 C ATOM 1209 O PHE A 76 -22.096 -3.531 -18.705 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.919 -4.877 -21.405 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.824 -5.162 -20.404 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.069 -6.001 -19.331 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.563 -4.623 -20.587 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.058 -6.294 -18.433 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.546 -4.919 -19.693 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.791 -5.758 -18.620 1.00 0.29 C ATOM 0 H PHE A 76 -20.640 -2.243 -20.066 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.490 -3.586 -21.936 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.558 -5.757 -21.478 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.463 -4.732 -22.384 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.052 -6.428 -19.194 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.371 -3.971 -21.427 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.254 -6.938 -17.589 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.563 -4.495 -19.834 1.00 0.28 H new ATOM 0 HZ PHE A 76 -16.997 -5.996 -17.928 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.838 -4.260 -19.941 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.750 -4.430 -18.815 1.00 0.28 C ATOM 1228 C LYS A 77 -24.726 -5.865 -18.299 1.00 0.31 C ATOM 1229 O LYS A 77 -25.217 -6.784 -18.959 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.172 -4.059 -19.251 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.107 -3.892 -18.048 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.138 -2.786 -18.278 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.270 -3.253 -19.198 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.229 -4.148 -18.490 1.00 1.95 N ATOM 0 H LYS A 77 -24.247 -4.504 -20.843 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.427 -3.774 -18.007 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.147 -3.132 -19.824 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.564 -4.832 -19.912 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.621 -4.833 -17.854 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.519 -3.661 -17.160 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.553 -2.470 -17.321 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.648 -1.916 -18.716 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.803 -2.385 -19.587 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.848 -3.778 -20.055 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -31.016 -4.387 -19.127 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.741 -5.019 -18.200 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.600 -3.663 -17.649 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.181 -6.032 -17.105 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.102 -7.330 -16.445 1.00 0.24 C ATOM 1250 C LEU A 78 -25.306 -7.491 -15.517 1.00 0.29 C ATOM 1251 O LEU A 78 -25.444 -6.752 -14.538 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.793 -7.441 -15.647 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.903 -8.553 -16.190 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.660 -8.707 -15.314 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.665 -9.881 -16.271 1.00 0.30 C ATOM 0 H LEU A 78 -23.778 -5.269 -16.562 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.113 -8.122 -17.194 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.258 -6.492 -15.688 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.020 -7.634 -14.598 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.595 -8.280 -17.199 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.031 -9.504 -15.711 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.100 -7.772 -15.309 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.961 -8.955 -14.296 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.005 -10.656 -16.662 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.009 -10.165 -15.276 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.524 -9.768 -16.933 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.164 -8.455 -15.827 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.363 -8.731 -15.034 1.00 0.40 C ATOM 1269 C ARG A 79 -27.241 -10.100 -14.371 1.00 0.45 C ATOM 1270 O ARG A 79 -27.301 -11.137 -15.039 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.605 -8.676 -15.927 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.868 -9.049 -15.151 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.077 -8.256 -15.654 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.328 -8.835 -15.167 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.513 -9.153 -13.887 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.504 -8.209 -12.959 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -32.688 -10.421 -13.542 1.00 2.93 N ATOM 0 H ARG A 79 -26.052 -9.069 -16.634 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.462 -7.974 -14.256 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.713 -7.673 -16.341 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.480 -9.356 -16.769 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -30.061 -10.117 -15.255 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.717 -8.854 -14.089 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.999 -7.220 -15.323 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.079 -8.243 -16.744 1.00 1.51 H new ATOM 0 HE ARG A 79 -33.085 -9.001 -15.830 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.355 -7.235 -13.224 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -32.646 -8.455 -11.979 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.681 -11.149 -14.256 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -32.830 -10.668 -12.563 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.075 -10.089 -13.052 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.946 -11.311 -12.262 1.00 0.68 C ATOM 1293 C LEU A 80 -28.309 -11.681 -11.678 1.00 0.84 C ATOM 1294 O LEU A 80 -28.953 -10.855 -11.014 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.929 -11.107 -11.127 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.657 -10.388 -11.597 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.684 -10.211 -10.432 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.980 -11.145 -12.738 1.00 1.26 C ATOM 0 H LEU A 80 -27.026 -9.233 -12.500 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.593 -12.117 -12.905 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.393 -10.530 -10.327 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.660 -12.076 -10.707 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.948 -9.406 -11.969 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.787 -9.700 -10.782 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.158 -9.619 -9.649 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.412 -11.188 -10.033 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.082 -10.610 -13.048 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.708 -12.145 -12.400 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.666 -11.221 -13.582 1.00 1.26 H new ATOM 1310 N SER A 81 -28.736 -12.925 -11.914 1.00 1.01 N ATOM 1311 CA SER A 81 -30.023 -13.435 -11.415 1.00 1.23 C ATOM 1312 C SER A 81 -30.083 -13.388 -9.880 1.00 1.40 C ATOM 1313 O SER A 81 -31.166 -13.302 -9.294 1.00 1.92 O ATOM 1314 CB SER A 81 -30.261 -14.868 -11.920 1.00 1.52 C ATOM 1315 OG SER A 81 -29.035 -15.518 -12.248 1.00 2.18 O ATOM 0 H SER A 81 -28.204 -13.607 -12.454 1.00 1.01 H new ATOM 0 HA SER A 81 -30.814 -12.791 -11.800 1.00 1.23 H new ATOM 0 HB2 SER A 81 -30.785 -15.442 -11.155 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.907 -14.843 -12.798 1.00 1.52 H new ATOM 0 HG SER A 81 -29.170 -16.489 -12.253 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.904 -13.415 -9.242 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.779 -13.349 -7.774 1.00 1.76 C ATOM 1323 C ASP A 82 -29.511 -12.113 -7.215 1.00 1.31 C ATOM 1324 O ASP A 82 -30.047 -12.148 -6.106 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.288 -13.299 -7.398 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.082 -13.583 -5.914 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.126 -14.763 -5.517 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -26.869 -12.626 -5.144 1.00 3.98 O ATOM 0 H ASP A 82 -28.009 -13.483 -9.727 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.239 -14.236 -7.338 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.737 -14.029 -7.990 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -26.882 -12.318 -7.643 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.538 -11.035 -8.008 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.207 -9.783 -7.634 1.00 1.53 C ATOM 1335 C GLY A 83 -29.233 -8.610 -7.687 1.00 1.31 C ATOM 1336 O GLY A 83 -29.095 -7.868 -6.691 1.00 1.88 O ATOM 0 H GLY A 83 -29.097 -11.006 -8.927 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.043 -9.597 -8.308 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.621 -9.873 -6.630 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.553 -8.443 -8.845 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.581 -7.353 -9.019 1.00 0.71 C ATOM 1342 C ASN A 84 -27.402 -7.021 -10.504 1.00 0.62 C ATOM 1343 O ASN A 84 -27.216 -7.916 -11.331 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.216 -7.750 -8.415 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.112 -7.337 -6.943 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.274 -8.164 -6.043 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.826 -6.069 -6.692 1.00 1.32 N ATOM 0 H ASN A 84 -28.662 -9.045 -9.661 1.00 0.93 H new ATOM 0 HA ASN A 84 -27.963 -6.473 -8.501 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.078 -8.828 -8.502 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.414 -7.279 -8.984 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.733 -5.748 -5.728 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.699 -5.413 -7.462 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.443 -5.728 -10.823 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.272 -5.228 -12.191 1.00 0.55 C ATOM 1356 C GLU A 85 -26.142 -4.196 -12.197 1.00 0.47 C ATOM 1357 O GLU A 85 -26.248 -3.157 -11.540 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.579 -4.589 -12.679 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.554 -5.641 -13.213 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.878 -4.994 -13.610 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.879 -3.806 -13.989 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.922 -5.675 -13.554 1.00 1.39 O ATOM 0 H GLU A 85 -27.597 -4.990 -10.136 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.020 -6.050 -12.861 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.046 -4.042 -11.860 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.360 -3.864 -13.463 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.117 -6.146 -14.075 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.729 -6.402 -12.453 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.058 -4.492 -12.921 1.00 0.33 N ATOM 1370 CA TYR A 86 -23.889 -3.599 -12.996 1.00 0.31 C ATOM 1371 C TYR A 86 -23.574 -3.186 -14.439 1.00 0.29 C ATOM 1372 O TYR A 86 -23.584 -4.019 -15.345 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.640 -4.308 -12.447 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.745 -4.792 -11.017 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -22.735 -3.888 -9.967 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.817 -6.151 -10.755 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -22.794 -4.346 -8.659 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.880 -6.605 -9.449 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.867 -5.703 -8.407 1.00 0.63 C ATOM 1380 OH TYR A 86 -22.920 -6.161 -7.108 1.00 0.77 O ATOM 0 H TYR A 86 -24.962 -5.348 -13.468 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.137 -2.716 -12.407 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.417 -5.162 -13.086 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -21.793 -3.625 -12.521 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.681 -2.828 -10.167 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.824 -6.857 -11.572 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -22.783 -3.643 -7.839 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.939 -7.664 -9.247 1.00 0.62 H new ATOM 0 HH TYR A 86 -22.566 -5.475 -6.505 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.215 -1.915 -14.623 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.797 -1.386 -15.927 1.00 0.23 C ATOM 1392 C LEU A 87 -21.273 -1.298 -15.897 1.00 0.22 C ATOM 1393 O LEU A 87 -20.716 -0.576 -15.063 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.380 0.010 -16.191 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.909 0.033 -16.155 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.421 1.318 -16.800 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.504 -1.182 -16.865 1.00 0.38 C ATOM 0 H LEU A 87 -23.205 -1.222 -13.875 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.157 -2.040 -16.721 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.994 0.706 -15.447 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.039 0.362 -17.165 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.224 -0.003 -15.112 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.511 1.330 -16.772 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.035 2.178 -16.254 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.084 1.365 -17.836 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.592 -1.133 -16.820 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.184 -1.188 -17.907 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.161 -2.094 -16.375 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.601 -2.054 -16.759 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.138 -2.079 -16.780 1.00 0.19 C ATOM 1411 C PHE A 88 -18.582 -1.396 -18.027 1.00 0.20 C ATOM 1412 O PHE A 88 -18.933 -1.762 -19.146 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.658 -3.525 -16.726 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.738 -4.121 -15.341 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.860 -3.713 -14.354 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.695 -5.080 -15.060 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.943 -4.260 -13.085 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.777 -5.626 -13.795 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.872 -5.209 -12.800 1.00 0.22 C ATOM 0 H PHE A 88 -21.043 -2.658 -17.452 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.775 -1.531 -15.911 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.257 -4.127 -17.410 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.627 -3.573 -17.078 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.110 -2.968 -14.573 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.379 -5.402 -15.832 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.263 -3.929 -12.314 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.529 -6.367 -13.570 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.917 -5.643 -11.812 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.692 -0.421 -17.821 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.050 0.309 -18.925 1.00 0.26 C ATOM 1431 C GLN A 89 -15.611 -0.175 -19.103 1.00 0.22 C ATOM 1432 O GLN A 89 -14.854 -0.260 -18.130 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.047 1.818 -18.651 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.773 2.616 -19.934 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.470 4.077 -19.615 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.603 4.523 -18.473 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.052 4.817 -20.626 1.00 1.63 N ATOM 0 H GLN A 89 -17.396 -0.115 -16.894 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.618 0.117 -19.835 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.008 2.116 -18.233 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.288 2.053 -17.905 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.932 2.175 -20.468 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.637 2.556 -20.595 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.957 4.405 -21.554 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.824 5.800 -20.478 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.241 -0.469 -20.352 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.890 -0.931 -20.694 1.00 0.24 C ATOM 1448 C ALA A 90 -13.048 0.232 -21.225 1.00 0.27 C ATOM 1449 O ALA A 90 -13.586 1.258 -21.658 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.973 -2.041 -21.748 1.00 0.29 C ATOM 0 H ALA A 90 -15.867 -0.394 -21.154 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.414 -1.324 -19.795 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.968 -2.381 -21.999 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.550 -2.876 -21.352 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.460 -1.656 -22.644 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.727 0.060 -21.195 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.790 1.085 -21.675 1.00 0.44 C ATOM 1458 C LYS A 91 -10.484 0.890 -23.162 1.00 0.49 C ATOM 1459 O LYS A 91 -10.321 1.865 -23.902 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.487 1.024 -20.870 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.730 1.299 -19.382 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.768 0.010 -18.551 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.443 -0.764 -18.604 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.267 0.106 -18.317 1.00 2.29 N ATOM 0 H LYS A 91 -11.276 -0.784 -20.842 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.255 2.061 -21.540 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.031 0.041 -20.989 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.780 1.754 -21.265 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.943 1.951 -19.002 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.672 1.834 -19.263 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.000 0.256 -17.515 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.573 -0.629 -18.914 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.473 -1.580 -17.882 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.327 -1.214 -19.590 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.551 -0.439 -17.796 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.860 0.446 -19.212 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.569 0.919 -17.743 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.403 -0.372 -23.588 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.115 -0.721 -24.989 1.00 0.66 C ATOM 1480 C ASP A 92 -11.319 -1.434 -25.617 1.00 0.59 C ATOM 1481 O ASP A 92 -12.084 -2.126 -24.931 1.00 0.75 O ATOM 1482 CB ASP A 92 -8.867 -1.619 -25.062 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.387 -1.791 -26.505 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.927 -2.663 -27.221 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.465 -1.066 -26.926 1.00 2.01 O ATOM 0 H ASP A 92 -10.534 -1.180 -22.979 1.00 0.49 H new ATOM 0 HA ASP A 92 -9.923 0.195 -25.548 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.068 -1.184 -24.461 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.094 -2.595 -24.633 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.466 -1.270 -26.930 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.556 -1.887 -27.703 1.00 0.63 C ATOM 1492 C ASP A 93 -12.513 -3.417 -27.594 1.00 0.49 C ATOM 1493 O ASP A 93 -13.548 -4.069 -27.440 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.436 -1.486 -29.181 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.991 -0.086 -29.434 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -12.651 0.835 -28.666 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -13.780 0.094 -30.386 1.00 2.21 O ATOM 0 H ASP A 93 -10.833 -0.704 -27.495 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.502 -1.533 -27.294 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -11.390 -1.523 -29.484 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.972 -2.207 -29.798 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.304 -3.982 -27.665 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.106 -5.435 -27.569 1.00 0.41 C ATOM 1504 C GLU A 94 -11.372 -5.907 -26.137 1.00 0.36 C ATOM 1505 O GLU A 94 -12.054 -6.912 -25.926 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.674 -5.798 -27.995 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.483 -7.313 -28.152 1.00 1.21 C ATOM 1508 CD GLU A 94 -10.333 -7.847 -29.298 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -10.120 -7.429 -30.452 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -11.210 -8.694 -29.047 1.00 2.59 O ATOM 0 H GLU A 94 -10.441 -3.453 -27.789 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.807 -5.935 -28.237 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.441 -5.304 -28.938 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.969 -5.419 -27.255 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.432 -7.535 -28.338 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.756 -7.817 -27.225 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.841 -5.155 -25.163 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.008 -5.451 -23.726 1.00 0.29 C ATOM 1519 C GLU A 95 -12.485 -5.682 -23.374 1.00 0.24 C ATOM 1520 O GLU A 95 -12.818 -6.606 -22.630 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.443 -4.285 -22.905 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.376 -4.596 -21.411 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.817 -3.395 -20.662 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.424 -2.307 -20.750 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.768 -3.535 -19.997 1.00 1.30 O ATOM 0 H GLU A 95 -10.282 -4.322 -25.346 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.465 -6.366 -23.490 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.444 -4.041 -23.267 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.063 -3.402 -23.061 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.370 -4.841 -21.036 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.747 -5.469 -21.239 1.00 0.42 H new ATOM 1532 N MET A 96 -13.364 -4.843 -23.938 1.00 0.24 N ATOM 1533 CA MET A 96 -14.816 -4.951 -23.714 1.00 0.22 C ATOM 1534 C MET A 96 -15.333 -6.326 -24.158 1.00 0.22 C ATOM 1535 O MET A 96 -16.130 -6.960 -23.461 1.00 0.23 O ATOM 1536 CB MET A 96 -15.544 -3.845 -24.496 1.00 0.26 C ATOM 1537 CG MET A 96 -16.992 -3.667 -24.027 1.00 0.39 C ATOM 1538 SD MET A 96 -18.036 -2.928 -25.300 1.00 0.94 S ATOM 1539 CE MET A 96 -18.599 -4.389 -26.193 1.00 0.77 C ATOM 0 H MET A 96 -13.095 -4.078 -24.556 1.00 0.24 H new ATOM 0 HA MET A 96 -15.013 -4.835 -22.648 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.007 -2.904 -24.378 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.534 -4.086 -25.559 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.401 -4.636 -23.742 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.009 -3.039 -23.136 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.944 -4.098 -27.185 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.776 -5.097 -26.288 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.418 -4.856 -25.647 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.854 -6.785 -25.317 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.246 -8.084 -25.877 1.00 0.28 C ATOM 1551 C ASN A 97 -14.710 -9.239 -25.012 1.00 0.26 C ATOM 1552 O ASN A 97 -15.404 -10.235 -24.796 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.717 -8.203 -27.321 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.598 -9.128 -28.167 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.365 -9.933 -27.637 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.486 -9.021 -29.482 1.00 1.24 N ATOM 0 H ASN A 97 -14.187 -6.271 -25.892 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.334 -8.149 -25.885 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.680 -7.215 -27.779 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.696 -8.585 -27.305 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.046 -9.617 -30.092 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.840 -8.343 -29.885 1.00 1.24 H new ATOM 1563 N THR A 98 -13.477 -9.095 -24.516 1.00 0.25 N ATOM 1564 CA THR A 98 -12.839 -10.118 -23.673 1.00 0.27 C ATOM 1565 C THR A 98 -13.628 -10.338 -22.372 1.00 0.23 C ATOM 1566 O THR A 98 -13.852 -11.477 -21.954 1.00 0.27 O ATOM 1567 CB THR A 98 -11.393 -9.698 -23.352 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.812 -9.020 -24.462 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.533 -10.906 -22.978 1.00 0.39 C ATOM 0 H THR A 98 -12.895 -8.274 -24.684 1.00 0.25 H new ATOM 0 HA THR A 98 -12.830 -11.059 -24.223 1.00 0.27 H new ATOM 0 HB THR A 98 -11.429 -9.023 -22.497 1.00 0.31 H new ATOM 0 HG1 THR A 98 -9.894 -8.758 -24.241 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.518 -10.576 -22.757 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.955 -11.395 -22.100 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.513 -11.610 -23.810 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.053 -9.240 -21.738 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.818 -9.307 -20.484 1.00 0.20 C ATOM 1579 C TRP A 99 -16.171 -9.996 -20.702 1.00 0.21 C ATOM 1580 O TRP A 99 -16.526 -10.918 -19.964 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.029 -7.896 -19.909 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.861 -7.406 -19.102 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.035 -6.365 -19.414 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.387 -7.936 -17.845 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.099 -6.238 -18.429 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.280 -7.170 -17.463 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.791 -8.978 -17.009 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.581 -7.414 -16.298 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.092 -9.230 -15.835 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.997 -8.453 -15.484 1.00 0.29 C ATOM 0 H TRP A 99 -13.881 -8.292 -22.072 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.244 -9.898 -19.770 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.214 -7.201 -20.728 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.921 -7.895 -19.283 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.110 -5.744 -20.295 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.361 -5.534 -18.421 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.644 -9.586 -17.274 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.729 -6.808 -16.028 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.404 -10.038 -15.190 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.465 -8.661 -14.568 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.917 -9.556 -21.726 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.231 -10.142 -22.045 1.00 0.24 C ATOM 1603 C ILE A 100 -18.100 -11.650 -22.328 1.00 0.28 C ATOM 1604 O ILE A 100 -18.936 -12.448 -21.895 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.853 -9.418 -23.251 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.168 -7.960 -22.897 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.128 -10.126 -23.721 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.497 -7.135 -24.145 1.00 0.29 C ATOM 0 H ILE A 100 -16.635 -8.798 -22.347 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.887 -10.015 -21.184 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.127 -9.439 -24.063 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.010 -7.927 -22.206 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.315 -7.518 -22.382 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.547 -9.593 -24.575 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.890 -11.149 -24.013 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.856 -10.141 -22.910 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.715 -6.107 -23.855 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.645 -7.147 -24.824 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.366 -7.563 -24.645 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.033 -12.030 -23.040 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.767 -13.438 -23.377 1.00 0.35 C ATOM 1622 C GLN A 101 -16.469 -14.259 -22.115 1.00 0.36 C ATOM 1623 O GLN A 101 -17.040 -15.333 -21.914 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.583 -13.533 -24.353 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.035 -13.319 -25.800 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.825 -13.295 -26.731 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.131 -14.300 -26.888 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.563 -12.152 -27.347 1.00 1.76 N ATOM 0 H GLN A 101 -16.334 -11.379 -23.397 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.659 -13.848 -23.851 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.832 -12.788 -24.091 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.109 -14.510 -24.259 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.717 -14.116 -26.098 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.585 -12.382 -25.882 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.161 -11.340 -27.192 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -13.763 -12.084 -27.976 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.569 -13.745 -21.270 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.171 -14.422 -20.022 1.00 0.37 C ATOM 1639 C ALA A 102 -16.356 -14.584 -19.059 1.00 0.38 C ATOM 1640 O ALA A 102 -16.500 -15.622 -18.407 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.050 -13.633 -19.340 1.00 0.38 C ATOM 0 H ALA A 102 -15.096 -12.855 -21.426 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.816 -15.419 -20.282 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.759 -14.137 -18.418 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.190 -13.572 -20.007 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.402 -12.628 -19.108 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.197 -13.552 -18.981 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.381 -13.553 -18.110 1.00 0.38 C ATOM 1649 C ILE A 103 -19.421 -14.564 -18.616 1.00 0.47 C ATOM 1650 O ILE A 103 -20.004 -15.312 -17.829 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.974 -12.134 -18.059 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.085 -11.223 -17.201 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.407 -12.135 -17.512 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.203 -9.756 -17.620 1.00 0.35 C ATOM 0 H ILE A 103 -17.080 -12.692 -19.517 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.090 -13.853 -17.103 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.009 -11.753 -19.080 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.365 -11.325 -16.152 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.047 -11.543 -17.287 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.790 -11.115 -17.492 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.041 -12.748 -18.153 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.410 -12.544 -16.501 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.559 -9.144 -16.989 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.898 -9.649 -18.661 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.237 -9.428 -17.509 1.00 0.35 H new ATOM 1666 N SER A 104 -19.641 -14.593 -19.934 1.00 0.53 N ATOM 1667 CA SER A 104 -20.606 -15.525 -20.543 1.00 0.66 C ATOM 1668 C SER A 104 -20.137 -16.982 -20.390 1.00 0.72 C ATOM 1669 O SER A 104 -20.952 -17.898 -20.285 1.00 0.89 O ATOM 1670 CB SER A 104 -20.802 -15.185 -22.026 1.00 0.81 C ATOM 1671 OG SER A 104 -21.201 -13.826 -22.181 1.00 1.05 O ATOM 0 H SER A 104 -19.167 -13.985 -20.602 1.00 0.53 H new ATOM 0 HA SER A 104 -21.558 -15.419 -20.024 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.875 -15.362 -22.571 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.556 -15.843 -22.459 1.00 0.81 H new ATOM 0 HG SER A 104 -20.411 -13.270 -22.343 1.00 1.05 H new ATOM 1677 N SER A 105 -18.814 -17.182 -20.364 1.00 0.80 N ATOM 1678 CA SER A 105 -18.218 -18.516 -20.210 1.00 1.13 C ATOM 1679 C SER A 105 -18.025 -18.887 -18.728 1.00 1.23 C ATOM 1680 O SER A 105 -17.372 -19.887 -18.422 1.00 1.61 O ATOM 1681 CB SER A 105 -16.865 -18.558 -20.931 1.00 1.48 C ATOM 1682 OG SER A 105 -17.013 -18.212 -22.303 1.00 1.63 O ATOM 0 H SER A 105 -18.130 -16.430 -20.448 1.00 0.80 H new ATOM 0 HA SER A 105 -18.901 -19.242 -20.650 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.170 -17.869 -20.450 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.434 -19.556 -20.847 1.00 1.48 H new ATOM 0 HG SER A 105 -17.046 -17.237 -22.393 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.589 -18.092 -17.815 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.470 -18.351 -16.377 1.00 1.59 C ATOM 1690 C ALA A 106 -19.409 -19.488 -15.969 1.00 2.40 C ATOM 1691 O ALA A 106 -18.940 -20.635 -15.838 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.798 -17.083 -15.584 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.621 -19.240 -15.797 1.00 3.05 O ATOM 0 H ALA A 106 -19.134 -17.261 -18.047 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.444 -18.646 -16.156 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.706 -17.287 -14.517 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.104 -16.290 -15.863 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.817 -16.768 -15.807 1.00 1.90 H new