USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= 0.0381 K(o=0.038,f=-1) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -132:sc= 1.91 (180deg=-1.02) USER MOD Set 2.2: A 69 TYR OH : rot 15:sc= 0.704 USER MOD Set 3.1: A 9 HIS :FLIP no HD1:sc= 0.408 F(o=-1.9!,f=0.65) USER MOD Set 3.2: A 22 SER OG : rot 29:sc= 0.24 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 24 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0173 K(o=-0.017,f=-2.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -67:sc= 0.465 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.057) USER MOD Single : A 33 GLN : amide:sc= 1.1 K(o=1.1,f=-0.051) USER MOD Single : A 35 MET CE :methyl -144:sc= -0.0675 (180deg=-2.88!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0688 (180deg=-0.388) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.13 (180deg=0.57) USER MOD Single : A 43 SER OG : rot 96:sc= 0.879 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.108 USER MOD Single : A 57 SER OG : rot -59:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 0.77 (180deg=0.465) USER MOD Single : A 63 CYS SG : rot 23:sc= -0.029 USER MOD Single : A 74 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 2.21 (180deg=-0.065) USER MOD Single : A 81 SER OG : rot -146:sc= 1.34 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -126:sc= 0.96 (180deg=-1.47!) USER MOD Single : A 96 MET CE :methyl -161:sc= -0.0479 (180deg=-0.515) USER MOD Single : A 97 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1!) USER MOD Single : A 98 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 104 SER OG : rot 74:sc= 1.27 USER MOD Single : A 105 SER OG : rot 97:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.141 -10.865 -15.160 1.00 0.51 N ATOM 21 CA GLU A 2 -8.250 -9.766 -14.195 1.00 0.37 C ATOM 22 C GLU A 2 -7.939 -8.442 -14.898 1.00 0.34 C ATOM 23 O GLU A 2 -7.284 -8.422 -15.942 1.00 0.48 O ATOM 24 CB GLU A 2 -7.263 -9.963 -13.027 1.00 0.53 C ATOM 25 CG GLU A 2 -7.269 -11.401 -12.476 1.00 0.96 C ATOM 26 CD GLU A 2 -6.163 -12.232 -13.119 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.977 -11.975 -12.829 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.473 -13.134 -13.921 1.00 2.16 O ATOM 0 HA GLU A 2 -9.265 -9.752 -13.797 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.257 -9.711 -13.362 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.515 -9.270 -12.224 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.133 -11.381 -11.395 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.237 -11.865 -12.668 1.00 0.96 H new ATOM 35 N GLY A 3 -8.403 -7.340 -14.322 1.00 0.25 N ATOM 36 CA GLY A 3 -8.158 -6.013 -14.891 1.00 0.28 C ATOM 37 C GLY A 3 -9.070 -4.966 -14.260 1.00 0.22 C ATOM 38 O GLY A 3 -9.974 -5.293 -13.481 1.00 0.22 O ATOM 0 H GLY A 3 -8.951 -7.335 -13.462 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.116 -5.734 -14.734 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.322 -6.040 -15.968 1.00 0.28 H new ATOM 42 N PHE A 4 -8.835 -3.701 -14.611 1.00 0.24 N ATOM 43 CA PHE A 4 -9.634 -2.582 -14.098 1.00 0.21 C ATOM 44 C PHE A 4 -10.882 -2.387 -14.959 1.00 0.22 C ATOM 45 O PHE A 4 -10.846 -2.566 -16.177 1.00 0.27 O ATOM 46 CB PHE A 4 -8.810 -1.291 -14.083 1.00 0.23 C ATOM 47 CG PHE A 4 -7.977 -1.142 -12.833 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.592 -0.802 -11.639 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.605 -1.334 -12.872 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.842 -0.661 -10.488 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.853 -1.192 -11.716 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.471 -0.849 -10.527 1.00 0.41 C ATOM 0 H PHE A 4 -8.093 -3.422 -15.253 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.935 -2.817 -13.077 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.155 -1.273 -14.954 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.481 -0.436 -14.171 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.660 -0.647 -11.608 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.122 -1.594 -13.802 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.325 -0.404 -9.557 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.785 -1.349 -11.744 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.884 -0.728 -9.629 1.00 0.41 H new ATOM 62 N LEU A 5 -11.971 -2.014 -14.305 1.00 0.19 N ATOM 63 CA LEU A 5 -13.259 -1.780 -14.962 1.00 0.21 C ATOM 64 C LEU A 5 -14.030 -0.705 -14.198 1.00 0.20 C ATOM 65 O LEU A 5 -13.991 -0.666 -12.965 1.00 0.21 O ATOM 66 CB LEU A 5 -14.097 -3.078 -14.954 1.00 0.23 C ATOM 67 CG LEU A 5 -14.079 -3.815 -16.295 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.862 -5.123 -16.185 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.661 -2.946 -17.405 1.00 0.31 C ATOM 0 H LEU A 5 -11.992 -1.863 -13.297 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.078 -1.461 -15.989 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.719 -3.742 -14.177 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.127 -2.836 -14.693 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.043 -4.039 -16.547 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.843 -5.640 -17.144 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.408 -5.756 -15.423 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.894 -4.907 -15.909 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.636 -3.494 -18.347 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.692 -2.688 -17.162 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.072 -2.034 -17.500 1.00 0.31 H new ATOM 81 N ASN A 6 -14.782 0.127 -14.913 1.00 0.22 N ATOM 82 CA ASN A 6 -15.611 1.143 -14.272 1.00 0.23 C ATOM 83 C ASN A 6 -16.938 0.473 -13.947 1.00 0.22 C ATOM 84 O ASN A 6 -17.578 -0.090 -14.832 1.00 0.26 O ATOM 85 CB ASN A 6 -15.792 2.363 -15.190 1.00 0.28 C ATOM 86 CG ASN A 6 -15.050 3.577 -14.626 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.863 3.500 -14.317 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.746 4.700 -14.494 1.00 1.24 N ATOM 0 H ASN A 6 -14.835 0.118 -15.932 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.145 1.522 -13.363 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.418 2.133 -16.188 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.852 2.594 -15.292 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.297 5.538 -14.125 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.730 4.725 -14.762 1.00 1.24 H new ATOM 95 N ARG A 7 -17.307 0.468 -12.671 1.00 0.23 N ATOM 96 CA ARG A 7 -18.520 -0.204 -12.204 1.00 0.24 C ATOM 97 C ARG A 7 -19.595 0.795 -11.773 1.00 0.25 C ATOM 98 O ARG A 7 -19.318 1.765 -11.061 1.00 0.32 O ATOM 99 CB ARG A 7 -18.153 -1.120 -11.027 1.00 0.28 C ATOM 100 CG ARG A 7 -19.320 -1.999 -10.577 1.00 0.34 C ATOM 101 CD ARG A 7 -18.897 -2.910 -9.422 1.00 0.54 C ATOM 102 NE ARG A 7 -20.059 -3.600 -8.862 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.201 -3.794 -7.553 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.656 -2.819 -6.785 1.00 1.71 N ATOM 105 NH2 ARG A 7 -19.839 -4.945 -7.010 1.00 1.46 N ATOM 0 H ARG A 7 -16.777 0.928 -11.931 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.932 -0.787 -13.027 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.315 -1.755 -11.314 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.818 -0.510 -10.188 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.155 -1.372 -10.265 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.670 -2.603 -11.414 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.168 -3.640 -9.775 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.408 -2.321 -8.646 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.782 -3.943 -9.494 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.899 -1.917 -7.196 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -20.765 -2.968 -5.782 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.451 -5.685 -7.595 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -19.948 -5.092 -6.007 1.00 1.46 H new ATOM 119 N LYS A 8 -20.827 0.515 -12.190 1.00 0.27 N ATOM 120 CA LYS A 8 -21.995 1.325 -11.850 1.00 0.29 C ATOM 121 C LYS A 8 -23.152 0.393 -11.521 1.00 0.29 C ATOM 122 O LYS A 8 -23.321 -0.644 -12.163 1.00 0.38 O ATOM 123 CB LYS A 8 -22.379 2.233 -13.015 1.00 0.36 C ATOM 124 CG LYS A 8 -23.522 3.190 -12.637 1.00 0.37 C ATOM 125 CD LYS A 8 -24.617 3.232 -13.706 1.00 0.50 C ATOM 126 CE LYS A 8 -25.971 3.638 -13.102 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.897 4.205 -14.126 1.00 1.02 N ATOM 0 H LYS A 8 -21.045 -0.288 -12.779 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.761 1.954 -10.992 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.509 2.811 -13.328 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.681 1.624 -13.867 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.956 2.878 -11.687 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.121 4.193 -12.490 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.338 3.939 -14.488 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.705 2.253 -14.178 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.435 2.768 -12.637 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.810 4.373 -12.314 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.310 5.090 -13.768 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.370 4.398 -15.002 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.657 3.523 -14.323 1.00 1.02 H new ATOM 141 N HIS A 9 -23.943 0.769 -10.528 1.00 0.43 N ATOM 142 CA HIS A 9 -25.098 -0.022 -10.095 1.00 0.52 C ATOM 143 C HIS A 9 -26.406 0.669 -10.488 1.00 0.58 C ATOM 144 O HIS A 9 -26.658 1.811 -10.105 1.00 0.73 O ATOM 145 CB HIS A 9 -25.045 -0.278 -8.569 1.00 0.68 C ATOM 146 CG HIS A 9 -24.773 0.937 -7.707 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.487 2.232 -8.012 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.749 0.891 -6.335 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.299 2.916 -6.826 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.466 2.066 -5.826 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.808 1.629 -9.996 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.061 -0.987 -10.601 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.995 -0.715 -8.260 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.273 -1.021 -8.371 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.939 0.003 -5.751 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.057 3.964 -6.732 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.388 2.286 -4.833 1.00 1.75 H new ATOM 158 N GLU A 10 -27.232 -0.046 -11.253 1.00 0.60 N ATOM 159 CA GLU A 10 -28.534 0.455 -11.706 1.00 0.73 C ATOM 160 C GLU A 10 -29.617 0.020 -10.714 1.00 0.83 C ATOM 161 O GLU A 10 -30.469 0.815 -10.324 1.00 1.00 O ATOM 162 CB GLU A 10 -28.846 -0.091 -13.109 1.00 0.79 C ATOM 163 CG GLU A 10 -30.105 0.547 -13.720 1.00 1.28 C ATOM 164 CD GLU A 10 -29.744 1.762 -14.564 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.938 2.596 -14.109 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.257 1.881 -15.694 1.00 1.72 O ATOM 0 H GLU A 10 -27.019 -0.989 -11.577 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.509 1.544 -11.755 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.995 0.092 -13.765 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.980 -1.171 -13.054 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.627 -0.186 -14.335 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.790 0.842 -12.925 1.00 1.28 H new ATOM 173 N TRP A 11 -29.561 -1.248 -10.305 1.00 0.82 N ATOM 174 CA TRP A 11 -30.511 -1.822 -9.351 1.00 0.96 C ATOM 175 C TRP A 11 -29.771 -2.814 -8.450 1.00 0.94 C ATOM 176 O TRP A 11 -28.957 -3.613 -8.930 1.00 0.84 O ATOM 177 CB TRP A 11 -31.659 -2.520 -10.111 1.00 1.08 C ATOM 178 CG TRP A 11 -32.560 -3.353 -9.229 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.447 -2.899 -8.289 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.643 -4.794 -9.199 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.052 -3.977 -7.700 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.593 -5.142 -8.231 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.008 -5.819 -9.900 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.913 -6.461 -7.954 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.323 -7.141 -9.632 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.268 -7.461 -8.666 1.00 1.53 C ATOM 0 H TRP A 11 -28.853 -1.908 -10.627 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.943 -1.035 -8.733 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.260 -1.764 -10.616 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.234 -3.159 -10.885 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.638 -1.863 -8.052 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.753 -3.915 -6.962 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.270 -5.582 -10.652 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.648 -6.705 -7.201 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.829 -7.930 -10.179 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.502 -8.496 -8.468 1.00 1.53 H new ATOM 353 N SER A 22 -22.371 6.616 -8.351 1.00 1.32 N ATOM 354 CA SER A 22 -22.573 5.487 -9.248 1.00 0.74 C ATOM 355 C SER A 22 -21.693 5.610 -10.492 1.00 0.68 C ATOM 356 O SER A 22 -22.127 6.154 -11.503 1.00 1.69 O ATOM 357 CB SER A 22 -24.052 5.413 -9.650 1.00 1.62 C ATOM 358 OG SER A 22 -24.888 5.477 -8.500 1.00 1.86 O ATOM 0 HA SER A 22 -22.290 4.572 -8.727 1.00 0.74 H new ATOM 0 HB2 SER A 22 -24.292 6.233 -10.327 1.00 1.62 H new ATOM 0 HB3 SER A 22 -24.241 4.487 -10.192 1.00 1.62 H new ATOM 0 HG SER A 22 -24.436 5.986 -7.795 1.00 1.86 H new ATOM 364 N TRP A 23 -20.470 5.081 -10.378 1.00 0.69 N ATOM 365 CA TRP A 23 -19.436 5.053 -11.439 1.00 0.41 C ATOM 366 C TRP A 23 -18.063 5.151 -10.770 1.00 0.40 C ATOM 367 O TRP A 23 -17.537 6.251 -10.576 1.00 0.55 O ATOM 368 CB TRP A 23 -19.583 6.182 -12.503 1.00 0.43 C ATOM 369 CG TRP A 23 -20.398 5.771 -13.708 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.481 6.433 -14.217 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.208 4.604 -14.539 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.957 5.737 -15.290 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.209 4.622 -15.520 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.292 3.547 -14.550 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.314 3.626 -16.482 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.392 2.554 -15.511 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.397 2.592 -16.468 1.00 0.31 C ATOM 0 H TRP A 23 -20.153 4.642 -9.514 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.558 4.117 -11.984 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -20.049 7.051 -12.038 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.591 6.491 -12.833 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.892 7.355 -13.833 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.766 6.015 -15.846 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.507 3.505 -13.810 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.096 3.659 -17.226 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.680 1.742 -15.516 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.463 1.807 -17.207 1.00 0.31 H new ATOM 388 N HIS A 24 -17.501 3.997 -10.406 1.00 0.37 N ATOM 389 CA HIS A 24 -16.188 3.922 -9.743 1.00 0.45 C ATOM 390 C HIS A 24 -15.296 2.902 -10.457 1.00 0.36 C ATOM 391 O HIS A 24 -15.763 1.847 -10.896 1.00 0.34 O ATOM 392 CB HIS A 24 -16.343 3.552 -8.244 1.00 0.61 C ATOM 393 CG HIS A 24 -17.420 2.537 -7.950 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.677 2.883 -7.523 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.435 1.182 -8.022 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.424 1.821 -7.348 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.697 0.756 -7.647 1.00 2.74 N ATOM 0 H HIS A 24 -17.938 3.088 -10.560 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.718 4.904 -9.800 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.391 3.166 -7.879 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.556 4.460 -7.680 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -16.611 0.550 -8.318 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.452 1.815 -7.018 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -19.013 -0.213 -7.608 1.00 2.74 H new ATOM 405 N ASN A 25 -14.009 3.225 -10.559 1.00 0.37 N ATOM 406 CA ASN A 25 -13.016 2.359 -11.201 1.00 0.35 C ATOM 407 C ASN A 25 -12.568 1.288 -10.202 1.00 0.34 C ATOM 408 O ASN A 25 -11.845 1.586 -9.247 1.00 0.55 O ATOM 409 CB ASN A 25 -11.816 3.209 -11.665 1.00 0.44 C ATOM 410 CG ASN A 25 -10.905 2.434 -12.621 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.293 1.418 -13.198 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.686 2.923 -12.797 1.00 1.49 N ATOM 0 H ASN A 25 -13.621 4.097 -10.198 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.450 1.870 -12.073 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.179 4.110 -12.159 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.241 3.531 -10.797 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.035 2.455 -13.427 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.399 3.767 -12.302 1.00 1.49 H new ATOM 419 N VAL A 26 -13.023 0.057 -10.412 1.00 0.22 N ATOM 420 CA VAL A 26 -12.703 -1.064 -9.523 1.00 0.21 C ATOM 421 C VAL A 26 -11.936 -2.158 -10.278 1.00 0.18 C ATOM 422 O VAL A 26 -11.977 -2.227 -11.507 1.00 0.23 O ATOM 423 CB VAL A 26 -14.014 -1.609 -8.918 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.770 -2.504 -9.907 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.754 -2.358 -7.612 1.00 0.31 C ATOM 0 H VAL A 26 -13.622 -0.195 -11.198 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.055 -0.720 -8.717 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.644 -0.747 -8.700 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.687 -2.867 -9.442 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.019 -1.931 -10.800 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.143 -3.352 -10.183 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.697 -2.729 -7.211 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.085 -3.197 -7.801 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.294 -1.683 -6.891 1.00 0.31 H new ATOM 435 N TYR A 27 -11.242 -3.013 -9.530 1.00 0.16 N ATOM 436 CA TYR A 27 -10.464 -4.117 -10.105 1.00 0.16 C ATOM 437 C TYR A 27 -11.277 -5.408 -10.022 1.00 0.19 C ATOM 438 O TYR A 27 -11.552 -5.908 -8.928 1.00 0.34 O ATOM 439 CB TYR A 27 -9.140 -4.267 -9.348 1.00 0.17 C ATOM 440 CG TYR A 27 -8.083 -5.011 -10.134 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.319 -4.336 -11.070 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.865 -6.360 -9.913 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.340 -5.004 -11.781 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.884 -7.031 -10.628 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.123 -6.347 -11.559 1.00 0.29 C ATOM 446 OH TYR A 27 -5.142 -7.008 -12.269 1.00 0.37 O ATOM 0 H TYR A 27 -11.201 -2.964 -8.512 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.243 -3.905 -11.151 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.762 -3.277 -9.091 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.323 -4.792 -8.411 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.488 -3.284 -11.245 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.459 -6.890 -9.183 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.745 -4.474 -12.510 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.715 -8.084 -10.458 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.116 -7.948 -11.994 1.00 0.37 H new ATOM 456 N CYS A 28 -11.671 -5.932 -11.178 1.00 0.16 N ATOM 457 CA CYS A 28 -12.469 -7.158 -11.253 1.00 0.19 C ATOM 458 C CYS A 28 -11.575 -8.370 -11.519 1.00 0.19 C ATOM 459 O CYS A 28 -10.705 -8.334 -12.394 1.00 0.23 O ATOM 460 CB CYS A 28 -13.521 -7.026 -12.362 1.00 0.23 C ATOM 461 SG CYS A 28 -14.607 -5.610 -12.107 1.00 0.34 S ATOM 0 H CYS A 28 -11.450 -5.524 -12.086 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.971 -7.306 -10.297 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.020 -6.929 -13.325 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.118 -7.937 -12.404 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.344 -5.812 -11.056 1.00 0.34 H new ATOM 467 N VAL A 29 -11.802 -9.437 -10.756 1.00 0.21 N ATOM 468 CA VAL A 29 -11.045 -10.686 -10.876 1.00 0.24 C ATOM 469 C VAL A 29 -12.026 -11.841 -11.057 1.00 0.26 C ATOM 470 O VAL A 29 -12.899 -12.037 -10.215 1.00 0.38 O ATOM 471 CB VAL A 29 -10.206 -10.914 -9.605 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.441 -12.238 -9.676 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.233 -9.759 -9.379 1.00 0.33 C ATOM 0 H VAL A 29 -12.520 -9.462 -10.032 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.376 -10.629 -11.735 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.896 -10.960 -8.762 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.858 -12.371 -8.765 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.148 -13.062 -9.778 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.772 -12.226 -10.536 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.652 -9.944 -8.475 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.560 -9.678 -10.233 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.791 -8.829 -9.268 1.00 0.33 H new ATOM 483 N ILE A 30 -11.881 -12.600 -12.145 1.00 0.28 N ATOM 484 CA ILE A 30 -12.758 -13.747 -12.427 1.00 0.32 C ATOM 485 C ILE A 30 -12.022 -15.049 -12.093 1.00 0.35 C ATOM 486 O ILE A 30 -10.870 -15.246 -12.499 1.00 0.44 O ATOM 487 CB ILE A 30 -13.198 -13.732 -13.900 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.905 -12.409 -14.231 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.122 -14.917 -14.206 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.342 -12.350 -15.694 1.00 0.57 C ATOM 0 H ILE A 30 -11.162 -12.443 -12.851 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.652 -13.679 -11.807 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.308 -13.822 -14.523 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.776 -12.291 -13.586 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.235 -11.576 -14.018 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.420 -14.885 -15.254 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.595 -15.850 -14.007 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.009 -14.859 -13.575 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.838 -11.399 -15.888 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.468 -12.441 -16.339 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.032 -13.168 -15.901 1.00 0.57 H new ATOM 502 N ASN A 31 -12.689 -15.922 -11.341 1.00 0.46 N ATOM 503 CA ASN A 31 -12.127 -17.205 -10.920 1.00 0.58 C ATOM 504 C ASN A 31 -13.182 -18.307 -11.079 1.00 0.71 C ATOM 505 O ASN A 31 -14.115 -18.412 -10.277 1.00 1.20 O ATOM 506 CB ASN A 31 -11.663 -17.087 -9.456 1.00 0.73 C ATOM 507 CG ASN A 31 -11.145 -18.420 -8.915 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.652 -18.930 -7.916 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.151 -18.997 -9.576 1.00 1.47 N ATOM 0 H ASN A 31 -13.638 -15.759 -11.005 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.270 -17.467 -11.541 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.877 -16.335 -9.383 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.492 -16.742 -8.839 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.781 -19.894 -9.260 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.756 -18.544 -10.400 1.00 1.47 H new ATOM 516 N ASN A 32 -13.024 -19.120 -12.129 1.00 0.85 N ATOM 517 CA ASN A 32 -13.938 -20.231 -12.443 1.00 1.00 C ATOM 518 C ASN A 32 -15.330 -19.701 -12.829 1.00 1.00 C ATOM 519 O ASN A 32 -15.531 -19.231 -13.954 1.00 1.97 O ATOM 520 CB ASN A 32 -14.013 -21.224 -11.260 1.00 1.24 C ATOM 521 CG ASN A 32 -14.743 -22.509 -11.669 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.260 -23.267 -12.507 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.904 -22.757 -11.075 1.00 2.52 N ATOM 0 H ASN A 32 -12.254 -19.028 -12.791 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.545 -20.772 -13.304 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.006 -21.466 -10.919 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.531 -20.758 -10.421 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.427 -23.601 -11.310 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -16.273 -22.104 -10.384 1.00 2.52 H new ATOM 530 N GLN A 33 -16.279 -19.777 -11.892 1.00 0.75 N ATOM 531 CA GLN A 33 -17.653 -19.314 -12.110 1.00 0.67 C ATOM 532 C GLN A 33 -18.034 -18.240 -11.081 1.00 0.56 C ATOM 533 O GLN A 33 -19.234 -17.990 -10.849 1.00 0.71 O ATOM 534 CB GLN A 33 -18.617 -20.507 -12.029 1.00 0.83 C ATOM 535 CG GLN A 33 -19.855 -20.281 -12.897 1.00 1.46 C ATOM 536 CD GLN A 33 -20.651 -21.573 -13.023 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.407 -21.931 -12.124 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.491 -22.272 -14.135 1.00 2.67 N ATOM 0 H GLN A 33 -16.117 -20.161 -10.961 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.723 -18.867 -13.102 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.105 -21.414 -12.351 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.920 -20.663 -10.994 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.479 -19.502 -12.458 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.556 -19.931 -13.885 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.853 -21.940 -14.859 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.006 -23.142 -14.269 1.00 2.67 H new ATOM 547 N GLU A 34 -17.007 -17.595 -10.489 1.00 0.53 N ATOM 548 CA GLU A 34 -17.207 -16.532 -9.504 1.00 0.49 C ATOM 549 C GLU A 34 -16.229 -15.393 -9.790 1.00 0.45 C ATOM 550 O GLU A 34 -15.252 -15.572 -10.520 1.00 0.64 O ATOM 551 CB GLU A 34 -16.985 -17.070 -8.085 1.00 0.61 C ATOM 552 CG GLU A 34 -18.080 -18.067 -7.670 1.00 1.25 C ATOM 553 CD GLU A 34 -18.410 -17.916 -6.188 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.505 -18.109 -5.353 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.572 -17.601 -5.857 1.00 1.79 O ATOM 0 H GLU A 34 -16.027 -17.800 -10.684 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.230 -16.163 -9.576 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.011 -17.557 -8.030 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.966 -16.238 -7.381 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.977 -17.900 -8.267 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.748 -19.085 -7.872 1.00 1.25 H new ATOM 562 N MET A 35 -16.491 -14.228 -9.216 1.00 0.36 N ATOM 563 CA MET A 35 -15.631 -13.062 -9.403 1.00 0.35 C ATOM 564 C MET A 35 -15.517 -12.278 -8.100 1.00 0.32 C ATOM 565 O MET A 35 -16.394 -12.357 -7.235 1.00 0.42 O ATOM 566 CB MET A 35 -16.172 -12.168 -10.532 1.00 0.41 C ATOM 567 CG MET A 35 -17.556 -11.592 -10.204 1.00 0.43 C ATOM 568 SD MET A 35 -18.275 -10.688 -11.589 1.00 0.60 S ATOM 569 CE MET A 35 -17.205 -9.242 -11.657 1.00 1.25 C ATOM 0 H MET A 35 -17.297 -14.062 -8.613 1.00 0.36 H new ATOM 0 HA MET A 35 -14.636 -13.403 -9.689 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.474 -11.351 -10.712 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.230 -12.746 -11.454 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.225 -12.404 -9.918 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.475 -10.928 -9.344 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.793 -8.367 -11.935 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.751 -9.079 -10.680 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.422 -9.403 -12.398 1.00 1.25 H new ATOM 579 N GLY A 36 -14.429 -11.527 -7.966 1.00 0.27 N ATOM 580 CA GLY A 36 -14.174 -10.723 -6.774 1.00 0.29 C ATOM 581 C GLY A 36 -13.829 -9.287 -7.152 1.00 0.25 C ATOM 582 O GLY A 36 -13.067 -9.047 -8.095 1.00 0.28 O ATOM 0 H GLY A 36 -13.701 -11.458 -8.677 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.052 -10.733 -6.129 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.355 -11.160 -6.204 1.00 0.29 H new ATOM 586 N PHE A 37 -14.388 -8.339 -6.404 1.00 0.24 N ATOM 587 CA PHE A 37 -14.151 -6.910 -6.626 1.00 0.25 C ATOM 588 C PHE A 37 -13.078 -6.419 -5.656 1.00 0.25 C ATOM 589 O PHE A 37 -13.323 -6.310 -4.452 1.00 0.40 O ATOM 590 CB PHE A 37 -15.450 -6.129 -6.417 1.00 0.30 C ATOM 591 CG PHE A 37 -16.494 -6.441 -7.468 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.374 -5.908 -8.742 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.567 -7.271 -7.168 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.319 -6.194 -9.708 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.514 -7.557 -8.139 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.390 -7.021 -9.408 1.00 0.33 C ATOM 0 H PHE A 37 -15.018 -8.537 -5.627 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.809 -6.751 -7.649 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.853 -6.359 -5.431 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.233 -5.061 -6.432 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.538 -5.267 -8.980 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.663 -7.693 -6.179 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.223 -5.773 -10.698 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.350 -8.199 -7.904 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.127 -7.247 -10.164 1.00 0.33 H new ATOM 606 N TYR A 38 -11.890 -6.144 -6.185 1.00 0.20 N ATOM 607 CA TYR A 38 -10.751 -5.685 -5.381 1.00 0.21 C ATOM 608 C TYR A 38 -10.353 -4.250 -5.757 1.00 0.21 C ATOM 609 O TYR A 38 -10.964 -3.626 -6.629 1.00 0.23 O ATOM 610 CB TYR A 38 -9.571 -6.647 -5.586 1.00 0.23 C ATOM 611 CG TYR A 38 -9.876 -8.048 -5.102 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.760 -8.358 -3.761 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.283 -9.022 -5.999 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.050 -9.632 -3.313 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.573 -10.301 -5.550 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.454 -10.599 -4.208 1.00 0.44 C ATOM 617 OH TYR A 38 -10.745 -11.866 -3.758 1.00 0.55 O ATOM 0 H TYR A 38 -11.685 -6.231 -7.180 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.036 -5.680 -4.329 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.313 -6.680 -6.644 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.698 -6.265 -5.056 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.441 -7.601 -3.060 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.374 -8.785 -7.049 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.960 -9.870 -2.263 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.891 -11.061 -6.248 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.016 -12.428 -4.514 1.00 0.55 H new ATOM 627 N LYS A 39 -9.328 -3.728 -5.079 1.00 0.25 N ATOM 628 CA LYS A 39 -8.846 -2.363 -5.321 1.00 0.29 C ATOM 629 C LYS A 39 -7.921 -2.314 -6.544 1.00 0.28 C ATOM 630 O LYS A 39 -8.054 -1.436 -7.391 1.00 0.33 O ATOM 631 CB LYS A 39 -8.113 -1.858 -4.074 1.00 0.36 C ATOM 632 CG LYS A 39 -8.012 -0.329 -4.038 1.00 0.70 C ATOM 633 CD LYS A 39 -8.190 0.210 -2.609 1.00 1.15 C ATOM 634 CE LYS A 39 -7.975 1.729 -2.535 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.652 2.131 -3.093 1.00 2.51 N ATOM 0 H LYS A 39 -8.814 -4.231 -4.356 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.700 -1.718 -5.527 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.635 -2.207 -3.183 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.111 -2.287 -4.045 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.043 -0.017 -4.428 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.772 0.103 -4.689 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.191 -0.032 -2.253 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.485 -0.289 -1.943 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.769 2.235 -3.084 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.046 2.056 -1.497 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.457 3.122 -2.844 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.908 1.522 -2.696 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.667 2.030 -4.128 1.00 2.51 H new ATOM 649 N ASP A 40 -6.989 -3.261 -6.623 1.00 0.28 N ATOM 650 CA ASP A 40 -6.032 -3.339 -7.740 1.00 0.32 C ATOM 651 C ASP A 40 -5.436 -4.751 -7.831 1.00 0.33 C ATOM 652 O ASP A 40 -5.901 -5.678 -7.163 1.00 0.32 O ATOM 653 CB ASP A 40 -4.912 -2.283 -7.574 1.00 0.38 C ATOM 654 CG ASP A 40 -3.887 -2.693 -6.511 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.264 -2.802 -5.328 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.703 -2.879 -6.857 1.00 0.94 O ATOM 0 H ASP A 40 -6.871 -3.994 -5.924 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.563 -3.127 -8.668 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.406 -2.139 -8.529 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.355 -1.325 -7.300 1.00 0.38 H new ATOM 661 N ALA A 41 -4.386 -4.897 -8.646 1.00 0.40 N ATOM 662 CA ALA A 41 -3.697 -6.185 -8.828 1.00 0.45 C ATOM 663 C ALA A 41 -3.039 -6.659 -7.521 1.00 0.45 C ATOM 664 O ALA A 41 -3.065 -7.849 -7.206 1.00 0.47 O ATOM 665 CB ALA A 41 -2.638 -6.053 -9.923 1.00 0.55 C ATOM 0 H ALA A 41 -3.990 -4.134 -9.195 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.439 -6.928 -9.121 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.130 -7.008 -10.055 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.116 -5.764 -10.859 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.912 -5.292 -9.637 1.00 0.55 H new ATOM 671 N LYS A 42 -2.467 -5.722 -6.755 1.00 0.46 N ATOM 672 CA LYS A 42 -1.820 -6.049 -5.475 1.00 0.48 C ATOM 673 C LYS A 42 -2.869 -6.453 -4.435 1.00 0.43 C ATOM 674 O LYS A 42 -2.723 -7.472 -3.759 1.00 0.47 O ATOM 675 CB LYS A 42 -1.010 -4.853 -4.963 1.00 0.54 C ATOM 676 CG LYS A 42 0.175 -4.549 -5.883 1.00 0.77 C ATOM 677 CD LYS A 42 1.035 -3.399 -5.341 1.00 1.12 C ATOM 678 CE LYS A 42 0.283 -2.059 -5.359 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.327 -1.778 -6.689 1.00 2.76 N ATOM 0 H LYS A 42 -2.438 -4.732 -6.998 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.143 -6.888 -5.637 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.655 -3.977 -4.895 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.648 -5.061 -3.956 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.789 -5.443 -5.992 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.192 -4.292 -6.876 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.344 -3.627 -4.321 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.943 -3.313 -5.938 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.497 -2.071 -4.598 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.970 -1.254 -5.098 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.706 -0.810 -6.699 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.396 -1.874 -7.430 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.097 -2.454 -6.867 1.00 2.76 H new ATOM 693 N SER A 43 -3.936 -5.655 -4.329 1.00 0.38 N ATOM 694 CA SER A 43 -5.031 -5.924 -3.384 1.00 0.38 C ATOM 695 C SER A 43 -5.762 -7.227 -3.742 1.00 0.39 C ATOM 696 O SER A 43 -6.274 -7.917 -2.862 1.00 0.45 O ATOM 697 CB SER A 43 -6.010 -4.752 -3.382 1.00 0.37 C ATOM 698 OG SER A 43 -5.325 -3.537 -3.100 1.00 1.04 O ATOM 0 H SER A 43 -4.067 -4.812 -4.888 1.00 0.38 H new ATOM 0 HA SER A 43 -4.606 -6.041 -2.387 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.506 -4.682 -4.350 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.788 -4.920 -2.637 1.00 0.37 H new ATOM 0 HG SER A 43 -5.102 -3.084 -3.940 1.00 1.04 H new ATOM 704 N ALA A 44 -5.786 -7.561 -5.038 1.00 0.37 N ATOM 705 CA ALA A 44 -6.432 -8.786 -5.523 1.00 0.43 C ATOM 706 C ALA A 44 -5.611 -10.016 -5.131 1.00 0.51 C ATOM 707 O ALA A 44 -6.153 -10.995 -4.624 1.00 0.59 O ATOM 708 CB ALA A 44 -6.596 -8.731 -7.046 1.00 0.43 C ATOM 0 H ALA A 44 -5.362 -6.996 -5.774 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.417 -8.862 -5.062 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.076 -9.646 -7.393 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.212 -7.873 -7.315 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.616 -8.635 -7.514 1.00 0.43 H new ATOM 714 N ALA A 45 -4.293 -9.949 -5.364 1.00 0.54 N ATOM 715 CA ALA A 45 -3.376 -11.051 -5.034 1.00 0.64 C ATOM 716 C ALA A 45 -3.294 -11.270 -3.515 1.00 0.68 C ATOM 717 O ALA A 45 -3.261 -12.408 -3.047 1.00 0.76 O ATOM 718 CB ALA A 45 -1.983 -10.750 -5.591 1.00 0.69 C ATOM 0 H ALA A 45 -3.835 -9.139 -5.782 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.763 -11.963 -5.488 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.308 -11.569 -5.344 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.040 -10.641 -6.674 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.608 -9.825 -5.152 1.00 0.69 H new ATOM 724 N SER A 46 -3.264 -10.171 -2.755 1.00 0.65 N ATOM 725 CA SER A 46 -3.192 -10.205 -1.315 1.00 0.73 C ATOM 726 C SER A 46 -4.530 -10.646 -0.695 1.00 0.74 C ATOM 727 O SER A 46 -4.558 -11.214 0.397 1.00 0.84 O ATOM 728 CB SER A 46 -2.834 -8.798 -0.855 1.00 0.75 C ATOM 729 OG SER A 46 -1.436 -8.564 -0.963 1.00 1.21 O ATOM 0 H SER A 46 -3.290 -9.227 -3.140 1.00 0.65 H new ATOM 0 HA SER A 46 -2.443 -10.929 -0.994 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.376 -8.067 -1.455 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.150 -8.659 0.179 1.00 0.75 H new ATOM 0 HG SER A 46 -1.233 -7.653 -0.663 1.00 1.21 H new ATOM 735 N GLY A 47 -5.632 -10.377 -1.398 1.00 0.70 N ATOM 736 CA GLY A 47 -6.974 -10.738 -0.928 1.00 0.74 C ATOM 737 C GLY A 47 -7.496 -9.710 0.076 1.00 0.75 C ATOM 738 O GLY A 47 -8.004 -10.070 1.142 1.00 0.88 O ATOM 0 H GLY A 47 -5.622 -9.906 -2.303 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.656 -10.802 -1.776 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.948 -11.724 -0.464 1.00 0.74 H new ATOM 742 N ILE A 48 -7.368 -8.428 -0.279 1.00 0.67 N ATOM 743 CA ILE A 48 -7.819 -7.318 0.569 1.00 0.72 C ATOM 744 C ILE A 48 -9.225 -6.880 0.134 1.00 0.75 C ATOM 745 O ILE A 48 -9.445 -6.575 -1.038 1.00 0.75 O ATOM 746 CB ILE A 48 -6.834 -6.138 0.464 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.396 -6.598 0.753 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.223 -5.012 1.426 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.405 -5.443 0.644 1.00 0.97 C ATOM 0 H ILE A 48 -6.950 -8.130 -1.160 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.854 -7.648 1.607 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.883 -5.758 -0.556 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.345 -7.029 1.753 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.117 -7.385 0.052 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.512 -4.191 1.332 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.224 -4.655 1.182 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.211 -5.387 2.449 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.399 -5.806 0.855 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.438 -5.029 -0.364 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.669 -4.668 1.363 1.00 0.97 H new ATOM 761 N PRO A 49 -10.198 -6.842 1.068 1.00 0.84 N ATOM 762 CA PRO A 49 -11.585 -6.439 0.754 1.00 0.93 C ATOM 763 C PRO A 49 -11.697 -4.953 0.390 1.00 0.93 C ATOM 764 O PRO A 49 -11.309 -4.079 1.168 1.00 1.08 O ATOM 765 CB PRO A 49 -12.361 -6.768 2.030 1.00 1.07 C ATOM 766 CG PRO A 49 -11.342 -6.748 3.125 1.00 1.06 C ATOM 767 CD PRO A 49 -10.036 -7.180 2.497 1.00 0.92 C ATOM 0 HA PRO A 49 -11.972 -6.959 -0.122 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.149 -6.037 2.212 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.842 -7.743 1.958 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.255 -5.751 3.557 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.626 -7.422 3.933 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.188 -6.655 2.938 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.859 -8.246 2.637 1.00 0.92 H new ATOM 775 N TYR A 50 -12.218 -4.682 -0.810 1.00 0.87 N ATOM 776 CA TYR A 50 -12.384 -3.311 -1.316 1.00 0.91 C ATOM 777 C TYR A 50 -13.691 -2.676 -0.806 1.00 1.12 C ATOM 778 O TYR A 50 -13.815 -1.449 -0.764 1.00 1.91 O ATOM 779 CB TYR A 50 -12.355 -3.337 -2.852 1.00 0.92 C ATOM 780 CG TYR A 50 -12.536 -1.973 -3.492 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.448 -1.129 -3.659 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.791 -1.567 -3.918 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.617 0.115 -4.248 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.955 -0.324 -4.505 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.864 0.521 -4.648 1.00 1.17 C ATOM 786 OH TYR A 50 -13.040 1.743 -5.257 1.00 1.34 O ATOM 0 H TYR A 50 -12.537 -5.402 -1.458 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.564 -2.697 -0.945 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.405 -3.759 -3.181 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.141 -4.003 -3.210 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.468 -1.441 -3.330 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.641 -2.221 -3.792 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.766 0.764 -4.392 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.930 -0.013 -4.851 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.988 1.867 -5.475 1.00 1.34 H new ATOM 796 N HIS A 51 -14.655 -3.514 -0.419 1.00 1.28 N ATOM 797 CA HIS A 51 -15.947 -3.043 0.091 1.00 1.53 C ATOM 798 C HIS A 51 -16.632 -4.151 0.914 1.00 1.61 C ATOM 799 O HIS A 51 -15.957 -5.016 1.478 1.00 2.07 O ATOM 800 CB HIS A 51 -16.848 -2.551 -1.066 1.00 2.01 C ATOM 801 CG HIS A 51 -17.128 -3.581 -2.124 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.377 -3.804 -2.633 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.322 -4.448 -2.785 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.355 -4.742 -3.546 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.107 -5.163 -3.667 1.00 3.74 N ATOM 0 H HIS A 51 -14.565 -4.530 -0.449 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.775 -2.193 0.752 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.796 -2.209 -0.650 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.376 -1.687 -1.534 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.217 -3.305 -2.340 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -15.257 -4.559 -2.646 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.206 -5.107 -4.102 1.00 3.87 H new ATOM 813 N SER A 52 -17.968 -4.113 0.994 1.00 1.60 N ATOM 814 CA SER A 52 -18.746 -5.096 1.762 1.00 1.96 C ATOM 815 C SER A 52 -18.733 -6.478 1.087 1.00 1.85 C ATOM 816 O SER A 52 -17.879 -7.317 1.396 1.00 2.45 O ATOM 817 CB SER A 52 -20.187 -4.586 1.944 1.00 2.44 C ATOM 818 OG SER A 52 -20.657 -3.924 0.770 1.00 2.65 O ATOM 0 H SER A 52 -18.538 -3.405 0.532 1.00 1.60 H new ATOM 0 HA SER A 52 -18.283 -5.214 2.742 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.844 -5.423 2.179 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.228 -3.901 2.791 1.00 2.44 H new ATOM 0 HG SER A 52 -21.575 -3.613 0.915 1.00 2.65 H new ATOM 824 N GLU A 53 -19.678 -6.712 0.169 1.00 1.45 N ATOM 825 CA GLU A 53 -19.778 -7.991 -0.545 1.00 1.37 C ATOM 826 C GLU A 53 -18.809 -7.999 -1.731 1.00 1.08 C ATOM 827 O GLU A 53 -19.155 -7.575 -2.835 1.00 1.24 O ATOM 828 CB GLU A 53 -21.221 -8.235 -1.027 1.00 1.73 C ATOM 829 CG GLU A 53 -22.257 -8.006 0.088 1.00 2.39 C ATOM 830 CD GLU A 53 -22.077 -9.002 1.231 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.451 -10.056 1.022 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.581 -8.735 2.341 1.00 3.23 O ATOM 0 H GLU A 53 -20.387 -6.029 -0.098 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.510 -8.796 0.139 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.439 -7.572 -1.864 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.310 -9.256 -1.398 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.163 -6.990 0.471 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.262 -8.100 -0.323 1.00 2.39 H new ATOM 839 N VAL A 54 -17.592 -8.474 -1.473 1.00 0.84 N ATOM 840 CA VAL A 54 -16.527 -8.543 -2.481 1.00 0.66 C ATOM 841 C VAL A 54 -16.738 -9.714 -3.462 1.00 0.55 C ATOM 842 O VAL A 54 -16.555 -9.540 -4.668 1.00 0.49 O ATOM 843 CB VAL A 54 -15.159 -8.651 -1.775 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.049 -9.060 -2.751 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.805 -7.321 -1.101 1.00 1.34 C ATOM 0 H VAL A 54 -17.312 -8.824 -0.557 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.555 -7.629 -3.074 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.238 -9.430 -1.016 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.101 -9.126 -2.217 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.287 -10.030 -3.187 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.969 -8.316 -3.543 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.838 -7.410 -0.606 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.757 -6.533 -1.853 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.568 -7.072 -0.364 1.00 1.34 H new ATOM 855 N PRO A 55 -17.108 -10.928 -2.975 1.00 0.62 N ATOM 856 CA PRO A 55 -17.310 -12.097 -3.851 1.00 0.59 C ATOM 857 C PRO A 55 -18.713 -12.134 -4.477 1.00 0.58 C ATOM 858 O PRO A 55 -19.716 -11.909 -3.791 1.00 0.83 O ATOM 859 CB PRO A 55 -17.096 -13.285 -2.915 1.00 0.76 C ATOM 860 CG PRO A 55 -17.411 -12.788 -1.537 1.00 0.87 C ATOM 861 CD PRO A 55 -17.345 -11.274 -1.557 1.00 0.83 C ATOM 0 HA PRO A 55 -16.632 -12.087 -4.704 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.745 -14.118 -3.187 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.070 -13.648 -2.974 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.402 -13.122 -1.229 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.700 -13.191 -0.815 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.272 -10.832 -1.191 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.542 -10.904 -0.919 1.00 0.83 H new ATOM 869 N VAL A 56 -18.767 -12.430 -5.777 1.00 0.41 N ATOM 870 CA VAL A 56 -20.022 -12.521 -6.528 1.00 0.43 C ATOM 871 C VAL A 56 -19.964 -13.733 -7.466 1.00 0.42 C ATOM 872 O VAL A 56 -18.932 -14.010 -8.075 1.00 0.43 O ATOM 873 CB VAL A 56 -20.247 -11.224 -7.323 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.368 -11.378 -8.359 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.569 -10.073 -6.370 1.00 0.63 C ATOM 0 H VAL A 56 -17.938 -12.614 -6.342 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.857 -12.650 -5.840 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.326 -11.003 -7.862 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.496 -10.440 -8.899 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.108 -12.169 -9.062 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.299 -11.634 -7.853 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.727 -9.159 -6.943 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.472 -10.309 -5.807 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.738 -9.929 -5.679 1.00 0.63 H new ATOM 885 N SER A 57 -21.079 -14.459 -7.556 1.00 0.47 N ATOM 886 CA SER A 57 -21.193 -15.654 -8.384 1.00 0.48 C ATOM 887 C SER A 57 -21.648 -15.319 -9.810 1.00 0.46 C ATOM 888 O SER A 57 -22.634 -14.605 -10.005 1.00 0.59 O ATOM 889 CB SER A 57 -22.198 -16.597 -7.734 1.00 0.61 C ATOM 890 OG SER A 57 -21.970 -16.708 -6.332 1.00 0.91 O ATOM 0 H SER A 57 -21.935 -14.230 -7.050 1.00 0.47 H new ATOM 0 HA SER A 57 -20.211 -16.122 -8.456 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.210 -16.233 -7.913 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.127 -17.582 -8.195 1.00 0.61 H new ATOM 0 HG SER A 57 -21.064 -17.046 -6.174 1.00 0.91 H new ATOM 896 N LEU A 58 -20.948 -15.879 -10.801 1.00 0.44 N ATOM 897 CA LEU A 58 -21.284 -15.690 -12.221 1.00 0.49 C ATOM 898 C LEU A 58 -22.008 -16.938 -12.733 1.00 0.60 C ATOM 899 O LEU A 58 -21.654 -17.507 -13.767 1.00 0.89 O ATOM 900 CB LEU A 58 -20.013 -15.440 -13.054 1.00 0.67 C ATOM 901 CG LEU A 58 -19.503 -14.010 -12.895 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.140 -13.853 -13.570 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.504 -13.004 -13.470 1.00 0.60 C ATOM 0 H LEU A 58 -20.135 -16.475 -10.646 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.931 -14.819 -12.321 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.235 -16.139 -12.749 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.223 -15.636 -14.105 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.392 -13.805 -11.830 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.790 -12.828 -13.448 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.426 -14.538 -13.112 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.231 -14.081 -14.632 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.117 -11.993 -13.344 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.654 -13.206 -14.531 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.455 -13.096 -12.945 1.00 0.60 H new ATOM 915 N LYS A 59 -23.026 -17.362 -11.986 1.00 0.70 N ATOM 916 CA LYS A 59 -23.816 -18.543 -12.338 1.00 0.90 C ATOM 917 C LYS A 59 -24.879 -18.166 -13.371 1.00 0.87 C ATOM 918 O LYS A 59 -25.980 -17.740 -13.018 1.00 0.95 O ATOM 919 CB LYS A 59 -24.469 -19.134 -11.077 1.00 1.13 C ATOM 920 CG LYS A 59 -24.865 -20.603 -11.279 1.00 1.41 C ATOM 921 CD LYS A 59 -26.354 -20.746 -11.620 1.00 1.78 C ATOM 922 CE LYS A 59 -26.754 -22.207 -11.852 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.971 -22.845 -12.953 1.00 2.83 N ATOM 0 H LYS A 59 -23.326 -16.902 -11.126 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.161 -19.298 -12.773 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.778 -19.055 -10.238 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.353 -18.551 -10.817 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.265 -21.035 -12.080 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.643 -21.168 -10.374 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.953 -20.331 -10.809 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.579 -20.163 -12.513 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.607 -22.772 -10.931 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.817 -22.256 -12.090 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.609 -23.086 -13.738 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.243 -22.183 -13.290 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.515 -23.710 -12.599 1.00 2.83 H new ATOM 937 N GLU A 60 -24.531 -18.317 -14.651 1.00 0.89 N ATOM 938 CA GLU A 60 -25.428 -17.994 -15.772 1.00 0.93 C ATOM 939 C GLU A 60 -25.843 -16.512 -15.738 1.00 0.71 C ATOM 940 O GLU A 60 -27.030 -16.186 -15.670 1.00 0.82 O ATOM 941 CB GLU A 60 -26.663 -18.911 -15.755 1.00 1.20 C ATOM 942 CG GLU A 60 -26.266 -20.395 -15.784 1.00 1.43 C ATOM 943 CD GLU A 60 -27.491 -21.289 -15.623 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.614 -20.829 -15.921 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.338 -22.452 -15.193 1.00 2.33 O ATOM 0 H GLU A 60 -23.619 -18.667 -14.944 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.886 -18.166 -16.702 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.254 -18.709 -14.862 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.296 -18.686 -16.614 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.765 -20.623 -16.725 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.553 -20.601 -14.985 1.00 1.43 H new ATOM 952 N ALA A 61 -24.852 -15.621 -15.792 1.00 0.51 N ATOM 953 CA ALA A 61 -25.091 -14.173 -15.771 1.00 0.35 C ATOM 954 C ALA A 61 -25.509 -13.675 -17.157 1.00 0.35 C ATOM 955 O ALA A 61 -25.023 -14.169 -18.177 1.00 0.43 O ATOM 956 CB ALA A 61 -23.817 -13.440 -15.329 1.00 0.31 C ATOM 0 H ALA A 61 -23.867 -15.878 -15.851 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.896 -13.968 -15.065 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -24.001 -12.366 -15.316 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.534 -13.772 -14.330 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -23.009 -13.661 -16.027 1.00 0.31 H new ATOM 962 N ILE A 62 -26.390 -12.681 -17.185 1.00 0.34 N ATOM 963 CA ILE A 62 -26.854 -12.085 -18.438 1.00 0.37 C ATOM 964 C ILE A 62 -25.995 -10.864 -18.745 1.00 0.31 C ATOM 965 O ILE A 62 -25.728 -10.047 -17.857 1.00 0.31 O ATOM 966 CB ILE A 62 -28.330 -11.679 -18.325 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.208 -12.901 -18.031 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.802 -10.989 -19.606 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.984 -12.736 -16.727 1.00 1.27 C ATOM 0 H ILE A 62 -26.801 -12.267 -16.349 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.765 -12.813 -19.244 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.422 -10.976 -17.497 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.907 -13.054 -18.854 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.584 -13.793 -17.973 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.851 -10.710 -19.504 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.204 -10.095 -19.779 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.688 -11.670 -20.449 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.595 -13.622 -16.552 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -29.284 -12.609 -15.901 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.628 -11.859 -16.795 1.00 1.27 H new ATOM 981 N CYS A 63 -25.552 -10.743 -19.989 1.00 0.34 N ATOM 982 CA CYS A 63 -24.704 -9.627 -20.398 1.00 0.33 C ATOM 983 C CYS A 63 -25.204 -9.031 -21.720 1.00 0.34 C ATOM 984 O CYS A 63 -25.433 -9.754 -22.692 1.00 0.52 O ATOM 985 CB CYS A 63 -23.250 -10.110 -20.522 1.00 0.37 C ATOM 986 SG CYS A 63 -22.067 -8.754 -20.579 1.00 0.53 S ATOM 0 H CYS A 63 -25.765 -11.405 -20.735 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.749 -8.841 -19.644 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.014 -10.757 -19.677 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.148 -10.713 -21.424 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.588 -7.700 -20.026 1.00 0.53 H new ATOM 992 N GLU A 64 -25.373 -7.706 -21.737 1.00 0.26 N ATOM 993 CA GLU A 64 -25.844 -6.964 -22.921 1.00 0.29 C ATOM 994 C GLU A 64 -24.831 -5.866 -23.255 1.00 0.24 C ATOM 995 O GLU A 64 -24.178 -5.339 -22.361 1.00 0.36 O ATOM 996 CB GLU A 64 -27.213 -6.326 -22.635 1.00 0.33 C ATOM 997 CG GLU A 64 -28.250 -7.365 -22.175 1.00 0.81 C ATOM 998 CD GLU A 64 -29.221 -6.750 -21.176 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.195 -6.101 -21.607 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.006 -6.903 -19.957 1.00 1.96 O ATOM 0 H GLU A 64 -25.188 -7.111 -20.929 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.943 -7.650 -23.762 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.102 -5.560 -21.867 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.575 -5.827 -23.534 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.799 -7.745 -23.037 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.743 -8.216 -21.720 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.697 -5.513 -24.531 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.747 -4.467 -24.945 1.00 0.32 C ATOM 1009 C VAL A 65 -24.414 -3.085 -24.902 1.00 0.31 C ATOM 1010 O VAL A 65 -25.589 -2.936 -25.252 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.210 -4.758 -26.359 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.037 -3.832 -26.699 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.781 -6.224 -26.490 1.00 0.39 C ATOM 0 H VAL A 65 -25.227 -5.929 -25.297 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.909 -4.468 -24.247 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.017 -4.569 -27.067 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.675 -4.057 -27.702 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.368 -2.794 -26.657 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.232 -3.985 -25.980 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.406 -6.405 -27.497 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.995 -6.439 -25.766 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.637 -6.872 -26.300 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.649 -2.081 -24.474 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.120 -0.693 -24.377 1.00 0.31 C ATOM 1025 C ALA A 66 -23.050 0.238 -24.952 1.00 0.34 C ATOM 1026 O ALA A 66 -22.266 0.846 -24.218 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.413 -0.340 -22.913 1.00 0.36 C ATOM 0 H ALA A 66 -22.679 -2.205 -24.182 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.042 -0.575 -24.947 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.762 0.691 -22.850 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.182 -1.008 -22.525 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.504 -0.452 -22.323 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.995 0.325 -26.276 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.998 1.151 -26.964 1.00 0.71 C ATOM 1035 C LEU A 67 -22.395 2.637 -27.028 1.00 0.89 C ATOM 1036 O LEU A 67 -21.599 3.458 -27.483 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.765 0.603 -28.381 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.283 0.290 -28.619 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.972 -1.147 -28.207 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.899 0.527 -30.078 1.00 1.39 C ATOM 0 H LEU A 67 -23.632 -0.168 -26.902 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.076 1.098 -26.385 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.358 -0.300 -28.526 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.108 1.331 -29.116 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.689 0.966 -28.003 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.916 -1.355 -28.382 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.198 -1.279 -27.149 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.580 -1.834 -28.796 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.843 0.297 -30.218 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.499 -0.117 -30.721 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.081 1.570 -30.337 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.609 2.977 -26.581 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.093 4.374 -26.601 1.00 1.14 C ATOM 1054 C ASP A 68 -24.266 4.942 -25.178 1.00 0.87 C ATOM 1055 O ASP A 68 -24.849 6.013 -25.011 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.419 4.472 -27.389 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.597 3.880 -26.612 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.620 2.652 -26.393 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.503 4.645 -26.222 1.00 2.62 O ATOM 0 H ASP A 68 -24.279 2.309 -26.200 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.337 4.978 -27.103 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.626 5.517 -27.620 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.314 3.950 -28.340 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.759 4.238 -24.162 1.00 0.81 N ATOM 1065 CA TYR A 69 -23.861 4.697 -22.768 1.00 0.69 C ATOM 1066 C TYR A 69 -22.630 5.545 -22.415 1.00 0.97 C ATOM 1067 O TYR A 69 -21.503 5.052 -22.480 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.977 3.497 -21.818 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.612 3.861 -20.489 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.989 3.787 -20.327 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.819 4.272 -19.432 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.564 4.122 -19.111 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.397 4.608 -18.219 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.764 4.535 -18.063 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.329 4.864 -16.850 1.00 0.97 O ATOM 0 H TYR A 69 -23.273 3.348 -24.275 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.757 5.307 -22.657 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.568 2.716 -22.296 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.985 3.082 -21.640 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.613 3.468 -21.149 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.747 4.331 -19.553 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.635 4.060 -18.983 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.776 4.927 -17.395 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.250 4.531 -16.817 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.491 2.271 -25.005 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.654 0.803 -24.994 1.00 0.38 C ATOM 1175 C HIS A 74 -18.054 0.287 -23.605 1.00 0.30 C ATOM 1176 O HIS A 74 -17.211 -0.184 -22.835 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.361 0.109 -25.479 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.890 0.601 -26.823 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.923 1.562 -26.980 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.267 0.280 -28.089 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.715 1.821 -28.248 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.523 1.053 -28.961 1.00 1.53 N ATOM 0 HA HIS A 74 -18.463 0.557 -25.682 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.572 0.270 -24.744 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.532 -0.966 -25.533 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.015 -0.449 -28.365 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.008 2.536 -28.642 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.586 1.034 -29.979 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.349 0.365 -23.295 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.880 -0.102 -22.011 1.00 0.23 C ATOM 1192 C VAL A 75 -20.716 -1.362 -22.238 1.00 0.22 C ATOM 1193 O VAL A 75 -21.214 -1.596 -23.341 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.731 1.013 -21.373 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.306 0.587 -20.018 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.903 2.290 -21.209 1.00 0.31 C ATOM 0 H VAL A 75 -20.056 0.751 -23.921 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.062 -0.344 -21.333 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.567 1.208 -22.045 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.899 1.401 -19.602 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -21.938 -0.291 -20.151 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.490 0.347 -19.336 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.519 3.067 -20.757 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.045 2.088 -20.567 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.554 2.625 -22.186 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.878 -2.169 -21.200 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.674 -3.390 -21.288 1.00 0.23 C ATOM 1208 C PHE A 76 -22.434 -3.599 -19.980 1.00 0.22 C ATOM 1209 O PHE A 76 -21.929 -3.308 -18.895 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.802 -4.615 -21.635 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.827 -5.042 -20.554 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.233 -5.917 -19.556 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.522 -4.575 -20.570 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.339 -6.321 -18.575 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.626 -4.979 -19.591 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.033 -5.852 -18.594 1.00 0.29 C ATOM 0 H PHE A 76 -20.468 -2.001 -20.281 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.393 -3.279 -22.100 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.458 -5.455 -21.862 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.240 -4.395 -22.543 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.248 -6.285 -19.543 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.202 -3.895 -21.346 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.659 -6.999 -17.798 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.610 -4.613 -19.606 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.334 -6.167 -17.833 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.650 -4.107 -20.101 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.511 -4.379 -18.957 1.00 0.28 C ATOM 1228 C LYS A 77 -24.217 -5.780 -18.428 1.00 0.31 C ATOM 1229 O LYS A 77 -23.937 -6.697 -19.200 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.984 -4.276 -19.374 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.889 -3.982 -18.179 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.966 -2.949 -18.529 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.053 -3.550 -19.423 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.780 -4.660 -18.745 1.00 1.95 N ATOM 0 H LYS A 77 -24.071 -4.344 -20.999 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.316 -3.646 -18.174 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.097 -3.488 -20.119 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.295 -5.208 -19.846 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.364 -4.905 -17.845 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.287 -3.614 -17.348 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.417 -2.568 -17.613 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.506 -2.100 -19.035 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.762 -2.772 -19.706 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.602 -3.920 -20.344 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.766 -4.681 -19.074 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.321 -5.565 -18.971 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.761 -4.510 -17.716 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.295 -5.931 -17.117 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.052 -7.207 -16.453 1.00 0.24 C ATOM 1250 C LEU A 78 -25.121 -7.402 -15.380 1.00 0.29 C ATOM 1251 O LEU A 78 -25.127 -6.716 -14.359 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.643 -7.222 -15.848 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.255 -8.593 -15.310 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.707 -9.718 -16.249 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.752 -8.665 -15.057 1.00 0.86 C ATOM 0 H LEU A 78 -24.529 -5.171 -16.478 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.110 -8.028 -17.168 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.922 -6.915 -16.606 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.589 -6.490 -15.042 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.772 -8.735 -14.361 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.412 -10.681 -15.832 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.791 -9.687 -16.359 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.239 -9.587 -17.225 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.495 -9.652 -14.673 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.217 -8.488 -15.990 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.469 -7.907 -14.327 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.040 -8.321 -15.646 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.158 -8.614 -14.750 1.00 0.40 C ATOM 1269 C ARG A 79 -27.029 -10.027 -14.194 1.00 0.45 C ATOM 1270 O ARG A 79 -26.909 -10.995 -14.951 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.472 -8.457 -15.531 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.709 -8.691 -14.658 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.000 -8.393 -15.426 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.988 -7.027 -15.971 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.060 -6.491 -16.551 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.639 -7.105 -17.569 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.529 -5.329 -16.124 1.00 2.99 N ATOM 0 H ARG A 79 -26.033 -8.889 -16.493 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.151 -7.920 -13.910 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.518 -7.456 -15.959 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.481 -9.160 -16.364 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.721 -9.724 -14.311 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.656 -8.058 -13.772 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.118 -9.111 -16.238 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.857 -8.516 -14.764 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.134 -6.474 -15.903 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.264 -7.990 -17.911 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.460 -6.694 -18.013 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.069 -4.846 -15.352 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.350 -4.917 -16.567 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.063 -10.142 -12.866 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.962 -11.441 -12.195 1.00 0.68 C ATOM 1293 C LEU A 80 -28.258 -12.238 -12.388 1.00 0.84 C ATOM 1294 O LEU A 80 -29.344 -11.661 -12.507 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.681 -11.244 -10.699 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.243 -10.780 -10.451 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.047 -10.384 -8.989 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.236 -11.862 -10.850 1.00 1.26 C ATOM 0 H LEU A 80 -27.160 -9.350 -12.231 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.137 -12.000 -12.636 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.376 -10.510 -10.291 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.858 -12.180 -10.169 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.064 -9.904 -11.075 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.018 -10.058 -8.835 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.727 -9.570 -8.738 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.255 -11.241 -8.349 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.224 -11.504 -10.663 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.417 -12.762 -10.262 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.349 -12.092 -11.910 1.00 1.26 H new ATOM 1310 N SER A 81 -28.131 -13.565 -12.421 1.00 1.01 N ATOM 1311 CA SER A 81 -29.274 -14.481 -12.606 1.00 1.23 C ATOM 1312 C SER A 81 -30.358 -14.265 -11.539 1.00 1.40 C ATOM 1313 O SER A 81 -31.557 -14.320 -11.833 1.00 1.92 O ATOM 1314 CB SER A 81 -28.771 -15.932 -12.565 1.00 1.52 C ATOM 1315 OG SER A 81 -27.585 -16.042 -11.774 1.00 2.18 O ATOM 0 H SER A 81 -27.235 -14.042 -12.321 1.00 1.01 H new ATOM 0 HA SER A 81 -29.727 -14.271 -13.575 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.547 -16.578 -12.155 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.570 -16.280 -13.578 1.00 1.52 H new ATOM 0 HG SER A 81 -27.004 -16.736 -12.150 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.926 -14.018 -10.309 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.835 -13.788 -9.183 1.00 1.76 C ATOM 1323 C ASP A 82 -30.142 -12.885 -8.161 1.00 1.31 C ATOM 1324 O ASP A 82 -29.909 -13.274 -7.015 1.00 1.74 O ATOM 1325 CB ASP A 82 -31.245 -15.133 -8.545 1.00 2.76 C ATOM 1326 CG ASP A 82 -32.517 -14.977 -7.711 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.512 -14.431 -8.231 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -32.529 -15.415 -6.540 1.00 3.77 O ATOM 0 H ASP A 82 -28.938 -13.971 -10.059 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.742 -13.296 -9.534 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -31.406 -15.876 -9.326 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -30.436 -15.503 -7.915 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.796 -11.672 -8.588 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.121 -10.718 -7.718 1.00 1.53 C ATOM 1335 C GLY A 83 -29.304 -9.295 -8.224 1.00 1.31 C ATOM 1336 O GLY A 83 -30.438 -8.868 -8.501 1.00 1.88 O ATOM 0 H GLY A 83 -29.973 -11.329 -9.532 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.516 -10.801 -6.705 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.058 -10.956 -7.667 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.181 -8.563 -8.302 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.155 -7.152 -8.732 1.00 0.71 C ATOM 1342 C ASN A 84 -27.817 -7.026 -10.223 1.00 0.62 C ATOM 1343 O ASN A 84 -27.451 -8.008 -10.879 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.083 -6.380 -7.932 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.949 -6.886 -6.497 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.337 -7.926 -6.259 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.517 -6.161 -5.552 1.00 1.32 N ATOM 0 H ASN A 84 -27.260 -8.934 -8.068 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.147 -6.738 -8.552 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.121 -6.471 -8.437 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -27.337 -5.320 -7.918 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.458 -6.457 -4.578 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -28.015 -5.305 -5.796 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.904 -5.796 -10.736 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.583 -5.482 -12.115 1.00 0.55 C ATOM 1356 C GLU A 85 -26.614 -4.296 -12.108 1.00 0.47 C ATOM 1357 O GLU A 85 -26.799 -3.335 -11.353 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.883 -5.164 -12.878 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.690 -4.083 -13.932 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.875 -4.059 -14.888 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.010 -3.822 -14.431 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.673 -4.260 -16.105 1.00 1.43 O ATOM 0 H GLU A 85 -28.204 -4.987 -10.192 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.108 -6.322 -12.621 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.251 -6.072 -13.356 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.647 -4.844 -12.170 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.583 -3.111 -13.450 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.770 -4.267 -14.487 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.571 -4.380 -12.928 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.547 -3.333 -13.001 1.00 0.31 C ATOM 1371 C TYR A 86 -24.170 -3.008 -14.450 1.00 0.29 C ATOM 1372 O TYR A 86 -24.403 -3.804 -15.364 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.279 -3.796 -12.264 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.508 -4.303 -10.857 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.490 -3.418 -9.791 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.702 -5.658 -10.622 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.662 -3.881 -8.499 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.881 -6.118 -9.328 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.857 -5.227 -8.271 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.020 -5.680 -6.981 1.00 0.77 O ATOM 0 H TYR A 86 -25.409 -5.166 -13.557 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.962 -2.438 -12.537 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.806 -4.586 -12.847 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.575 -2.964 -12.225 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.341 -2.363 -9.969 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.713 -6.353 -11.448 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.644 -3.189 -7.670 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.039 -7.171 -9.145 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.148 -6.652 -6.989 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.524 -1.852 -14.629 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.016 -1.401 -15.933 1.00 0.23 C ATOM 1392 C LEU A 87 -21.494 -1.370 -15.828 1.00 0.22 C ATOM 1393 O LEU A 87 -20.952 -0.789 -14.880 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.523 0.007 -16.309 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.043 0.157 -16.209 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.475 1.499 -16.800 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.767 -0.991 -16.916 1.00 0.38 C ATOM 0 H LEU A 87 -23.336 -1.197 -13.870 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.368 -2.082 -16.708 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.050 0.741 -15.656 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.210 0.237 -17.327 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.317 0.123 -15.155 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.558 1.598 -16.725 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.998 2.310 -16.249 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.178 1.548 -17.848 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.844 -0.853 -16.825 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.490 -1.001 -17.970 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.483 -1.938 -16.457 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.809 -2.005 -16.770 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.349 -2.065 -16.761 1.00 0.19 C ATOM 1411 C PHE A 88 -18.774 -1.370 -17.993 1.00 0.20 C ATOM 1412 O PHE A 88 -19.058 -1.759 -19.125 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.894 -3.526 -16.698 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.958 -4.087 -15.297 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.989 -3.756 -14.361 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.978 -4.959 -14.954 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.044 -4.294 -13.089 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.037 -5.494 -13.680 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.089 -5.071 -12.710 1.00 0.22 C ATOM 0 H PHE A 88 -21.242 -2.490 -17.556 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.977 -1.542 -15.880 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.520 -4.128 -17.357 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.873 -3.602 -17.071 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.191 -3.078 -14.626 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.730 -5.222 -15.684 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.246 -4.093 -12.389 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.793 -6.223 -13.426 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.200 -5.366 -11.677 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.957 -0.345 -17.756 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.313 0.427 -18.831 1.00 0.26 C ATOM 1431 C GLN A 89 -15.862 -0.033 -18.990 1.00 0.22 C ATOM 1432 O GLN A 89 -15.090 -0.013 -18.027 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.380 1.937 -18.518 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.241 2.734 -19.169 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.429 4.230 -18.926 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.774 4.814 -18.065 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.329 4.848 -19.676 1.00 1.63 N ATOM 0 H GLN A 89 -17.720 -0.023 -16.818 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.841 0.254 -19.769 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.336 2.332 -18.862 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.346 2.081 -17.438 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.283 2.411 -18.761 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -16.215 2.534 -20.240 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.851 4.326 -20.380 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.500 5.846 -19.550 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.504 -0.431 -20.214 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.147 -0.892 -20.538 1.00 0.24 C ATOM 1448 C ALA A 90 -13.298 0.268 -21.064 1.00 0.27 C ATOM 1449 O ALA A 90 -13.809 1.352 -21.367 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.217 -2.010 -21.586 1.00 0.29 C ATOM 0 H ALA A 90 -16.144 -0.444 -21.008 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.681 -1.277 -19.631 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.209 -2.349 -21.824 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.797 -2.844 -21.190 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.695 -1.632 -22.490 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.996 0.032 -21.170 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.053 1.038 -21.658 1.00 0.44 C ATOM 1458 C LYS A 91 -10.847 0.884 -23.169 1.00 0.49 C ATOM 1459 O LYS A 91 -10.744 1.877 -23.892 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.719 0.895 -20.914 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.869 1.266 -19.430 1.00 1.26 C ATOM 1462 CD LYS A 91 -10.010 0.026 -18.534 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.645 -0.583 -18.199 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.679 -2.073 -18.197 1.00 2.29 N ATOM 0 H LYS A 91 -11.563 -0.857 -20.922 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.458 2.032 -21.469 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.359 -0.130 -21.001 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.970 1.536 -21.378 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.002 1.845 -19.112 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.743 1.905 -19.303 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.524 0.298 -17.612 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.628 -0.718 -19.036 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.908 -0.239 -18.924 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.320 -0.227 -17.221 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.314 -2.427 -17.290 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.658 -2.398 -18.327 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.088 -2.435 -18.973 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.799 -0.367 -23.634 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.606 -0.685 -25.064 1.00 0.66 C ATOM 1480 C ASP A 92 -11.743 -1.583 -25.576 1.00 0.59 C ATOM 1481 O ASP A 92 -12.366 -2.320 -24.807 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.248 -1.389 -25.254 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.851 -1.454 -26.728 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.289 -2.391 -27.429 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.086 -0.578 -27.183 1.00 1.77 O ATOM 0 H ASP A 92 -10.892 -1.190 -23.038 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.618 0.242 -25.638 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.480 -0.857 -24.693 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.300 -2.398 -24.846 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.989 -1.526 -26.892 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.035 -2.339 -27.550 1.00 0.63 C ATOM 1492 C ASP A 93 -12.738 -3.834 -27.376 1.00 0.49 C ATOM 1493 O ASP A 93 -13.636 -4.629 -27.078 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.105 -1.988 -29.048 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.289 -2.683 -29.728 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.185 -3.887 -30.044 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.319 -2.026 -29.963 1.00 2.21 O ATOM 0 H ASP A 93 -11.475 -0.921 -27.532 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.996 -2.118 -27.085 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.197 -0.908 -29.167 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.177 -2.284 -29.537 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.462 -4.203 -27.540 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.015 -5.593 -27.383 1.00 0.41 C ATOM 1504 C GLU A 94 -11.268 -6.057 -25.947 1.00 0.36 C ATOM 1505 O GLU A 94 -11.727 -7.175 -25.713 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.521 -5.695 -27.719 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.022 -7.144 -27.690 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.530 -7.171 -27.397 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.151 -7.234 -26.210 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -6.730 -7.149 -28.357 1.00 2.59 O ATOM 0 H GLU A 94 -10.715 -3.552 -27.783 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.575 -6.234 -28.064 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.342 -5.270 -28.707 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.948 -5.100 -27.007 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.561 -7.708 -26.929 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.223 -7.626 -28.647 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.985 -5.168 -24.991 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.190 -5.443 -23.567 1.00 0.29 C ATOM 1519 C GLU A 95 -12.665 -5.756 -23.293 1.00 0.24 C ATOM 1520 O GLU A 95 -12.982 -6.717 -22.591 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.749 -4.235 -22.742 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.342 -4.643 -21.328 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.505 -3.472 -20.373 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.547 -2.317 -20.844 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.588 -3.703 -19.154 1.00 1.30 O ATOM 0 H GLU A 95 -10.608 -4.240 -25.182 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.593 -6.309 -23.283 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.911 -3.742 -23.235 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.561 -3.510 -22.693 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.954 -5.481 -20.994 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.306 -4.983 -21.324 1.00 0.42 H new ATOM 1532 N MET A 96 -13.559 -4.950 -23.877 1.00 0.24 N ATOM 1533 CA MET A 96 -15.010 -5.140 -23.730 1.00 0.22 C ATOM 1534 C MET A 96 -15.406 -6.543 -24.212 1.00 0.22 C ATOM 1535 O MET A 96 -16.164 -7.247 -23.544 1.00 0.23 O ATOM 1536 CB MET A 96 -15.766 -4.065 -24.529 1.00 0.26 C ATOM 1537 CG MET A 96 -17.290 -4.243 -24.449 1.00 0.39 C ATOM 1538 SD MET A 96 -17.981 -5.004 -25.935 1.00 0.94 S ATOM 1539 CE MET A 96 -17.904 -3.635 -27.105 1.00 0.77 C ATOM 0 H MET A 96 -13.302 -4.154 -24.460 1.00 0.24 H new ATOM 0 HA MET A 96 -15.277 -5.043 -22.678 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.497 -3.079 -24.151 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.452 -4.103 -25.572 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.535 -4.858 -23.583 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.758 -3.271 -24.292 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.582 -3.828 -27.936 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.197 -2.712 -26.605 1.00 0.77 H new ATOM 0 HE3 MET A 96 -16.886 -3.536 -27.483 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.857 -6.950 -25.360 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.120 -8.277 -25.933 1.00 0.28 C ATOM 1551 C ASN A 97 -14.580 -9.373 -25.002 1.00 0.26 C ATOM 1552 O ASN A 97 -15.277 -10.338 -24.695 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.464 -8.391 -27.325 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.020 -9.589 -28.105 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.187 -9.956 -27.964 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.185 -10.189 -28.938 1.00 1.24 N ATOM 0 H ASN A 97 -14.223 -6.376 -25.916 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.197 -8.408 -26.039 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.639 -7.474 -27.888 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.385 -8.496 -27.214 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.501 -10.985 -29.491 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.225 -9.855 -29.027 1.00 1.24 H new ATOM 1563 N THR A 98 -13.337 -9.199 -24.546 1.00 0.25 N ATOM 1564 CA THR A 98 -12.677 -10.152 -23.639 1.00 0.27 C ATOM 1565 C THR A 98 -13.467 -10.314 -22.327 1.00 0.23 C ATOM 1566 O THR A 98 -13.649 -11.432 -21.843 1.00 0.27 O ATOM 1567 CB THR A 98 -11.238 -9.687 -23.351 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.607 -9.272 -24.559 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.417 -10.802 -22.696 1.00 0.39 C ATOM 0 H THR A 98 -12.758 -8.396 -24.792 1.00 0.25 H new ATOM 0 HA THR A 98 -12.646 -11.126 -24.127 1.00 0.27 H new ATOM 0 HB THR A 98 -11.288 -8.846 -22.659 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.801 -8.325 -24.721 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.405 -10.444 -22.504 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.884 -11.092 -21.755 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.377 -11.664 -23.362 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.946 -9.196 -21.767 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.727 -9.208 -20.517 1.00 0.20 C ATOM 1579 C TRP A 99 -16.042 -9.970 -20.707 1.00 0.21 C ATOM 1580 O TRP A 99 -16.368 -10.868 -19.927 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.016 -7.769 -20.049 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.881 -7.157 -19.275 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.180 -6.024 -19.597 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.312 -7.646 -18.040 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.229 -5.809 -18.640 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.279 -6.771 -17.681 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.579 -8.739 -17.208 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.518 -6.956 -16.540 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.818 -8.928 -16.060 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.799 -8.044 -15.730 1.00 0.29 C ATOM 0 H TRP A 99 -13.807 -8.265 -22.160 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.137 -9.716 -19.754 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.231 -7.148 -20.918 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.912 -7.769 -19.428 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.351 -5.404 -20.464 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.570 -5.031 -18.645 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.371 -9.431 -17.456 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.724 -6.269 -16.287 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.022 -9.772 -15.417 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.220 -8.206 -14.833 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.789 -9.613 -21.755 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.069 -10.261 -22.063 1.00 0.24 C ATOM 1603 C ILE A 100 -17.864 -11.757 -22.337 1.00 0.28 C ATOM 1604 O ILE A 100 -18.619 -12.590 -21.838 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.733 -9.563 -23.263 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.172 -8.151 -22.862 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.938 -10.358 -23.777 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.655 -7.347 -24.064 1.00 0.29 C ATOM 0 H ILE A 100 -16.528 -8.875 -22.409 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.730 -10.169 -21.201 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.001 -9.505 -24.069 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.970 -8.215 -22.122 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.339 -7.632 -22.388 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.383 -9.837 -24.624 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.612 -11.350 -24.091 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.677 -10.454 -22.981 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.957 -6.352 -23.738 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.848 -7.261 -24.792 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.505 -7.853 -24.522 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.831 -12.097 -23.115 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.529 -13.500 -23.435 1.00 0.35 C ATOM 1622 C GLN A 101 -16.092 -14.271 -22.176 1.00 0.36 C ATOM 1623 O GLN A 101 -16.462 -15.432 -21.999 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.439 -13.580 -24.512 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.001 -13.224 -25.898 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.180 -13.880 -27.011 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -13.955 -13.979 -26.921 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.851 -14.326 -28.062 1.00 1.76 N ATOM 0 H GLN A 101 -16.190 -11.423 -23.535 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.438 -13.962 -23.819 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.625 -12.900 -24.261 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.019 -14.586 -24.534 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.039 -13.550 -25.967 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.997 -12.142 -26.028 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.865 -14.226 -28.100 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.353 -14.770 -28.834 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.317 -13.618 -21.298 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.839 -14.240 -20.050 1.00 0.37 C ATOM 1639 C ALA A 102 -16.014 -14.567 -19.118 1.00 0.38 C ATOM 1640 O ALA A 102 -16.099 -15.671 -18.575 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.847 -13.306 -19.343 1.00 0.38 C ATOM 0 H ALA A 102 -15.006 -12.655 -21.428 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.333 -15.172 -20.302 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.499 -13.774 -18.422 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.996 -13.117 -19.997 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.340 -12.363 -19.107 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.928 -13.605 -18.952 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.118 -13.774 -18.103 1.00 0.38 C ATOM 1649 C ILE A 103 -19.075 -14.805 -18.726 1.00 0.47 C ATOM 1650 O ILE A 103 -19.636 -15.647 -18.024 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.819 -12.414 -17.923 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.898 -11.432 -17.182 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.148 -12.553 -17.163 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.175 -9.983 -17.583 1.00 0.35 C ATOM 0 H ILE A 103 -16.867 -12.690 -19.399 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.814 -14.145 -17.124 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.039 -12.027 -18.918 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.036 -11.545 -16.107 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.858 -11.676 -17.397 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.611 -11.572 -17.057 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.817 -13.212 -17.717 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.960 -12.974 -16.175 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.504 -9.320 -17.037 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.011 -9.864 -18.654 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.208 -9.730 -17.344 1.00 0.35 H new ATOM 1666 N SER A 104 -19.247 -14.742 -20.051 1.00 0.53 N ATOM 1667 CA SER A 104 -20.130 -15.671 -20.777 1.00 0.66 C ATOM 1668 C SER A 104 -19.596 -17.112 -20.731 1.00 0.72 C ATOM 1669 O SER A 104 -20.370 -18.065 -20.783 1.00 0.89 O ATOM 1670 CB SER A 104 -20.289 -15.219 -22.232 1.00 0.81 C ATOM 1671 OG SER A 104 -20.804 -13.894 -22.296 1.00 1.05 O ATOM 0 H SER A 104 -18.785 -14.055 -20.648 1.00 0.53 H new ATOM 0 HA SER A 104 -21.102 -15.658 -20.284 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.325 -15.264 -22.739 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.958 -15.900 -22.758 1.00 0.81 H new ATOM 0 HG SER A 104 -20.103 -13.258 -22.043 1.00 1.05 H new ATOM 1677 N SER A 105 -18.274 -17.267 -20.623 1.00 0.80 N ATOM 1678 CA SER A 105 -17.644 -18.593 -20.564 1.00 1.13 C ATOM 1679 C SER A 105 -17.644 -19.161 -19.136 1.00 1.23 C ATOM 1680 O SER A 105 -17.058 -20.217 -18.887 1.00 1.61 O ATOM 1681 CB SER A 105 -16.209 -18.513 -21.097 1.00 1.48 C ATOM 1682 OG SER A 105 -16.201 -18.031 -22.436 1.00 1.63 O ATOM 0 H SER A 105 -17.616 -16.490 -20.574 1.00 0.80 H new ATOM 0 HA SER A 105 -18.229 -19.268 -21.188 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.616 -17.854 -20.463 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.744 -19.498 -21.056 1.00 1.48 H new ATOM 0 HG SER A 105 -16.021 -17.068 -22.436 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.309 -18.473 -18.202 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.391 -18.925 -16.814 1.00 1.59 C ATOM 1690 C ALA A 106 -19.427 -20.044 -16.698 1.00 2.40 C ATOM 1691 O ALA A 106 -20.574 -19.847 -17.149 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.774 -17.757 -15.903 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.095 -21.126 -16.179 1.00 3.05 O ATOM 0 H ALA A 106 -18.799 -17.598 -18.386 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.418 -19.306 -16.504 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.832 -18.104 -14.871 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.020 -16.973 -15.980 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.742 -17.360 -16.208 1.00 1.90 H new