USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= 0.708 K(o=1.7,f=-3.2!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.944 USER MOD Set 2.1: A 24 HIS : no HE2:sc= 0.11 K(o=0.86,f=-0.92) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -157:sc= 0.754 (180deg=0.411) USER MOD Set 2.3: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.57!) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.11) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0845 F(o=-0.66,f=-0.084) USER MOD Single : A 22 SER OG : rot 30:sc= 0.333 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -73:sc= 0.0904 USER MOD Single : A 31 ASN : amide:sc= 0.00441 K(o=0.0044,f=-4.7!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 MET CE :methyl 165:sc= -0.005 (180deg=-0.438) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 46 SER OG : rot 84:sc= 0.749 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 52 SER OG : rot 180:sc= 0.193 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 1.23 (180deg=-0.775) USER MOD Single : A 63 CYS SG : rot 9:sc= 0.686 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -87:sc= 1.32 USER MOD Single : A 89 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.5!) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= 0.844! (180deg=0.7!) USER MOD Single : A 96 MET CE :methyl 153:sc= -0.0688 (180deg=-0.408) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 98 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 101 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 104 SER OG : rot 88:sc= 1.29 USER MOD Single : A 105 SER OG : rot 77:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -7.583 -11.096 -14.846 1.00 0.51 N ATOM 21 CA GLU A 2 -7.981 -9.921 -14.063 1.00 0.37 C ATOM 22 C GLU A 2 -7.637 -8.633 -14.815 1.00 0.34 C ATOM 23 O GLU A 2 -6.868 -8.644 -15.782 1.00 0.48 O ATOM 24 CB GLU A 2 -7.270 -9.909 -12.699 1.00 0.53 C ATOM 25 CG GLU A 2 -7.222 -11.293 -12.035 1.00 0.96 C ATOM 26 CD GLU A 2 -5.912 -12.006 -12.353 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.853 -11.579 -11.854 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.943 -12.999 -13.108 1.00 2.16 O ATOM 0 HA GLU A 2 -9.058 -9.975 -13.907 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.253 -9.539 -12.829 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.781 -9.211 -12.035 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.330 -11.186 -10.956 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.062 -11.896 -12.381 1.00 0.96 H new ATOM 35 N GLY A 3 -8.196 -7.519 -14.354 1.00 0.25 N ATOM 36 CA GLY A 3 -7.949 -6.211 -14.962 1.00 0.28 C ATOM 37 C GLY A 3 -8.831 -5.146 -14.315 1.00 0.22 C ATOM 38 O GLY A 3 -9.680 -5.452 -13.468 1.00 0.22 O ATOM 0 H GLY A 3 -8.829 -7.494 -13.554 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.899 -5.942 -14.846 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.150 -6.257 -16.032 1.00 0.28 H new ATOM 42 N PHE A 4 -8.637 -3.896 -14.730 1.00 0.24 N ATOM 43 CA PHE A 4 -9.419 -2.770 -14.210 1.00 0.21 C ATOM 44 C PHE A 4 -10.702 -2.616 -15.023 1.00 0.22 C ATOM 45 O PHE A 4 -10.700 -2.778 -16.245 1.00 0.27 O ATOM 46 CB PHE A 4 -8.619 -1.464 -14.281 1.00 0.23 C ATOM 47 CG PHE A 4 -7.728 -1.235 -13.084 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.272 -0.829 -11.876 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.361 -1.452 -13.187 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.453 -0.639 -10.776 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.545 -1.259 -12.087 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.092 -0.774 -10.897 1.00 0.41 C ATOM 0 H PHE A 4 -7.942 -3.634 -15.429 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.659 -2.976 -13.167 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.007 -1.471 -15.183 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.312 -0.628 -14.373 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.336 -0.661 -11.792 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.934 -1.772 -14.126 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.886 -0.384 -9.820 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.490 -1.482 -12.148 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.446 -0.506 -10.074 1.00 0.41 H new ATOM 62 N LEU A 5 -11.780 -2.293 -14.334 1.00 0.19 N ATOM 63 CA LEU A 5 -13.090 -2.104 -14.955 1.00 0.21 C ATOM 64 C LEU A 5 -13.842 -0.978 -14.251 1.00 0.20 C ATOM 65 O LEU A 5 -13.749 -0.818 -13.036 1.00 0.21 O ATOM 66 CB LEU A 5 -13.916 -3.404 -14.849 1.00 0.23 C ATOM 67 CG LEU A 5 -13.842 -4.260 -16.116 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.674 -5.533 -15.938 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.324 -3.475 -17.335 1.00 0.31 C ATOM 0 H LEU A 5 -11.778 -2.152 -13.324 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.945 -1.847 -16.004 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.559 -3.988 -14.001 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.957 -3.152 -14.647 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.801 -4.537 -16.284 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.615 -6.136 -16.844 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.287 -6.106 -15.096 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.713 -5.265 -15.747 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.261 -4.106 -18.222 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.358 -3.165 -17.183 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.697 -2.594 -17.471 1.00 0.31 H new ATOM 81 N ASN A 6 -14.635 -0.231 -15.010 1.00 0.22 N ATOM 82 CA ASN A 6 -15.458 0.843 -14.447 1.00 0.23 C ATOM 83 C ASN A 6 -16.789 0.212 -14.061 1.00 0.22 C ATOM 84 O ASN A 6 -17.479 -0.322 -14.920 1.00 0.26 O ATOM 85 CB ASN A 6 -15.627 1.994 -15.462 1.00 0.28 C ATOM 86 CG ASN A 6 -15.202 3.327 -14.836 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.035 4.113 -14.383 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.901 3.575 -14.804 1.00 1.24 N ATOM 0 H ASN A 6 -14.728 -0.346 -16.019 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.989 1.290 -13.571 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.027 1.795 -16.350 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.666 2.052 -15.786 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.557 4.443 -14.393 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.243 2.898 -15.190 1.00 1.24 H new ATOM 95 N ARG A 7 -17.108 0.214 -12.763 1.00 0.23 N ATOM 96 CA ARG A 7 -18.335 -0.414 -12.255 1.00 0.24 C ATOM 97 C ARG A 7 -19.282 0.621 -11.658 1.00 0.25 C ATOM 98 O ARG A 7 -18.862 1.527 -10.934 1.00 0.32 O ATOM 99 CB ARG A 7 -17.981 -1.470 -11.194 1.00 0.28 C ATOM 100 CG ARG A 7 -19.214 -2.275 -10.764 1.00 0.34 C ATOM 101 CD ARG A 7 -18.832 -3.485 -9.906 1.00 0.54 C ATOM 102 NE ARG A 7 -18.679 -3.101 -8.497 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.378 -3.680 -7.522 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.000 -4.863 -7.071 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.448 -3.074 -7.012 1.00 1.71 N ATOM 0 H ARG A 7 -16.531 0.645 -12.041 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.841 -0.893 -13.093 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.225 -2.147 -11.592 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.544 -0.980 -10.324 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.891 -1.631 -10.203 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.754 -2.612 -11.648 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.597 -4.256 -9.996 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.901 -3.916 -10.273 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.015 -2.365 -8.257 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.181 -5.323 -7.469 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.527 -5.317 -6.325 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.736 -2.162 -7.368 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.980 -3.521 -6.266 1.00 1.71 H new ATOM 119 N LYS A 8 -20.565 0.461 -11.960 1.00 0.27 N ATOM 120 CA LYS A 8 -21.618 1.342 -11.465 1.00 0.29 C ATOM 121 C LYS A 8 -22.834 0.492 -11.118 1.00 0.29 C ATOM 122 O LYS A 8 -23.458 -0.096 -12.006 1.00 0.38 O ATOM 123 CB LYS A 8 -21.971 2.382 -12.538 1.00 0.36 C ATOM 124 CG LYS A 8 -23.105 3.323 -12.100 1.00 0.37 C ATOM 125 CD LYS A 8 -24.367 3.132 -12.953 1.00 0.50 C ATOM 126 CE LYS A 8 -25.633 3.486 -12.161 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.748 3.949 -13.041 1.00 1.02 N ATOM 0 H LYS A 8 -20.907 -0.289 -12.560 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.281 1.874 -10.575 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.085 2.972 -12.772 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.264 1.869 -13.454 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.344 3.141 -11.052 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.769 4.357 -12.175 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.305 3.758 -13.843 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.425 2.098 -13.294 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.959 2.613 -11.595 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.398 4.266 -11.437 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.501 4.365 -12.457 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.391 4.664 -13.707 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.129 3.141 -13.573 1.00 1.02 H new ATOM 141 N HIS A 9 -23.170 0.419 -9.829 1.00 0.43 N ATOM 142 CA HIS A 9 -24.323 -0.368 -9.382 1.00 0.52 C ATOM 143 C HIS A 9 -25.612 0.418 -9.636 1.00 0.58 C ATOM 144 O HIS A 9 -25.740 1.579 -9.248 1.00 0.73 O ATOM 145 CB HIS A 9 -24.185 -0.798 -7.901 1.00 0.68 C ATOM 146 CG HIS A 9 -24.255 0.306 -6.876 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.028 1.642 -6.953 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.586 0.083 -5.563 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.225 2.175 -5.690 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.563 1.194 -4.873 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.665 0.892 -9.080 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.363 -1.290 -9.962 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.970 -1.521 -7.680 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.233 -1.316 -7.782 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.834 -0.885 -5.152 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.120 3.215 -5.419 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.770 1.286 -3.878 1.00 1.75 H new ATOM 158 N GLU A 10 -26.549 -0.214 -10.333 1.00 0.60 N ATOM 159 CA GLU A 10 -27.821 0.416 -10.688 1.00 0.73 C ATOM 160 C GLU A 10 -28.984 -0.259 -9.969 1.00 0.83 C ATOM 161 O GLU A 10 -29.931 0.409 -9.551 1.00 1.00 O ATOM 162 CB GLU A 10 -28.015 0.317 -12.204 1.00 0.79 C ATOM 163 CG GLU A 10 -29.209 1.147 -12.678 1.00 1.28 C ATOM 164 CD GLU A 10 -29.073 1.447 -14.160 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.291 2.352 -14.516 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.739 0.776 -14.972 1.00 1.72 O ATOM 0 H GLU A 10 -26.452 -1.173 -10.668 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.799 1.462 -10.381 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.111 0.658 -12.709 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.163 -0.726 -12.484 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.137 0.606 -12.491 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -29.264 2.078 -12.113 1.00 1.28 H new ATOM 173 N TRP A 11 -28.916 -1.582 -9.850 1.00 0.82 N ATOM 174 CA TRP A 11 -29.974 -2.364 -9.209 1.00 0.96 C ATOM 175 C TRP A 11 -29.369 -3.435 -8.299 1.00 0.94 C ATOM 176 O TRP A 11 -28.521 -4.218 -8.726 1.00 0.84 O ATOM 177 CB TRP A 11 -30.841 -3.016 -10.301 1.00 1.08 C ATOM 178 CG TRP A 11 -32.272 -3.221 -9.902 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.232 -2.259 -9.791 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.910 -4.473 -9.578 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.405 -2.848 -9.418 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.246 -4.194 -9.278 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.473 -5.797 -9.511 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.139 -5.188 -8.919 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.362 -6.797 -9.156 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.684 -6.494 -8.861 1.00 1.53 C ATOM 0 H TRP A 11 -28.134 -2.140 -10.191 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.591 -1.709 -8.594 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -30.809 -2.394 -11.195 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.407 -3.980 -10.568 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.088 -1.204 -9.969 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.281 -2.349 -9.265 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.445 -6.040 -9.735 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.167 -4.950 -8.689 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -33.024 -7.822 -9.108 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.365 -7.285 -8.583 1.00 1.53 H new ATOM 353 N SER A 22 -21.430 6.065 -7.743 1.00 1.32 N ATOM 354 CA SER A 22 -21.733 5.637 -9.108 1.00 0.74 C ATOM 355 C SER A 22 -20.507 5.817 -10.012 1.00 0.68 C ATOM 356 O SER A 22 -19.901 6.890 -10.034 1.00 1.69 O ATOM 357 CB SER A 22 -22.914 6.454 -9.653 1.00 1.62 C ATOM 358 OG SER A 22 -23.939 6.590 -8.670 1.00 1.86 O ATOM 0 HA SER A 22 -22.000 4.580 -9.096 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.567 7.440 -9.961 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.319 5.967 -10.540 1.00 1.62 H new ATOM 0 HG SER A 22 -23.538 6.576 -7.776 1.00 1.86 H new ATOM 364 N TRP A 23 -20.162 4.758 -10.752 1.00 0.69 N ATOM 365 CA TRP A 23 -19.017 4.748 -11.680 1.00 0.41 C ATOM 366 C TRP A 23 -17.688 4.891 -10.931 1.00 0.40 C ATOM 367 O TRP A 23 -17.204 6.002 -10.695 1.00 0.55 O ATOM 368 CB TRP A 23 -19.165 5.837 -12.767 1.00 0.43 C ATOM 369 CG TRP A 23 -20.124 5.444 -13.859 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.256 6.108 -14.246 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.032 4.279 -14.705 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.848 5.411 -15.263 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.131 4.295 -15.569 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.124 3.227 -14.805 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.337 3.302 -16.516 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.317 2.233 -15.744 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.417 2.267 -16.597 1.00 0.31 C ATOM 0 H TRP A 23 -20.671 3.875 -10.726 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.011 3.779 -12.180 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.508 6.762 -12.304 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.188 6.043 -13.204 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.622 7.030 -13.819 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.711 5.690 -15.730 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.268 3.189 -14.147 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.193 3.334 -17.174 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.608 1.422 -15.817 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.555 1.483 -17.326 1.00 0.31 H new ATOM 388 N HIS A 24 -17.099 3.748 -10.573 1.00 0.37 N ATOM 389 CA HIS A 24 -15.816 3.699 -9.866 1.00 0.45 C ATOM 390 C HIS A 24 -14.885 2.711 -10.575 1.00 0.36 C ATOM 391 O HIS A 24 -15.319 1.641 -11.019 1.00 0.34 O ATOM 392 CB HIS A 24 -16.035 3.274 -8.396 1.00 0.61 C ATOM 393 CG HIS A 24 -14.763 3.168 -7.591 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.267 4.191 -6.829 1.00 2.08 N ATOM 395 CD2 HIS A 24 -13.872 2.153 -7.433 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.149 3.845 -6.241 1.00 2.98 C ATOM 397 NE2 HIS A 24 -12.871 2.596 -6.588 1.00 2.74 N ATOM 0 H HIS A 24 -17.498 2.829 -10.765 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.359 4.689 -9.872 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -16.698 3.994 -7.916 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.545 2.311 -8.379 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -14.710 5.104 -6.732 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -13.935 1.175 -7.887 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -12.557 4.468 -5.587 1.00 2.98 H new ATOM 405 N ASN A 25 -13.604 3.071 -10.658 1.00 0.37 N ATOM 406 CA ASN A 25 -12.577 2.230 -11.286 1.00 0.35 C ATOM 407 C ASN A 25 -12.202 1.097 -10.318 1.00 0.34 C ATOM 408 O ASN A 25 -11.319 1.249 -9.468 1.00 0.55 O ATOM 409 CB ASN A 25 -11.348 3.094 -11.635 1.00 0.44 C ATOM 410 CG ASN A 25 -10.292 2.293 -12.408 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.621 1.427 -13.222 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.025 2.597 -12.165 1.00 1.49 N ATOM 0 H ASN A 25 -13.246 3.953 -10.293 1.00 0.37 H new ATOM 0 HA ASN A 25 -12.956 1.791 -12.209 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.663 3.951 -12.231 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.908 3.487 -10.719 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.279 2.108 -12.660 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -8.796 3.320 -11.483 1.00 1.49 H new ATOM 419 N VAL A 26 -12.906 -0.026 -10.443 1.00 0.22 N ATOM 420 CA VAL A 26 -12.700 -1.195 -9.587 1.00 0.21 C ATOM 421 C VAL A 26 -11.928 -2.287 -10.337 1.00 0.18 C ATOM 422 O VAL A 26 -11.939 -2.350 -11.571 1.00 0.23 O ATOM 423 CB VAL A 26 -14.076 -1.711 -9.104 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.848 -2.409 -10.231 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.936 -2.630 -7.890 1.00 0.31 C ATOM 0 H VAL A 26 -13.638 -0.152 -11.142 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.101 -0.914 -8.721 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.653 -0.838 -8.798 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.809 -2.757 -9.852 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.013 -1.707 -11.048 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.271 -3.260 -10.594 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.922 -2.973 -7.578 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.319 -3.489 -8.153 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.467 -2.083 -7.072 1.00 0.31 H new ATOM 435 N TYR A 27 -11.272 -3.154 -9.578 1.00 0.16 N ATOM 436 CA TYR A 27 -10.502 -4.269 -10.128 1.00 0.16 C ATOM 437 C TYR A 27 -11.355 -5.531 -10.060 1.00 0.19 C ATOM 438 O TYR A 27 -11.934 -5.829 -9.014 1.00 0.34 O ATOM 439 CB TYR A 27 -9.210 -4.452 -9.328 1.00 0.17 C ATOM 440 CG TYR A 27 -8.109 -5.124 -10.113 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.321 -4.381 -10.975 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.877 -6.480 -9.964 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.306 -4.989 -11.687 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.861 -7.091 -10.677 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.077 -6.342 -11.536 1.00 0.29 C ATOM 446 OH TYR A 27 -5.070 -6.948 -12.250 1.00 0.37 O ATOM 0 H TYR A 27 -11.257 -3.106 -8.559 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.236 -4.066 -11.165 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.861 -3.477 -8.988 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.424 -5.043 -8.437 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.501 -3.322 -11.091 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.489 -7.062 -9.291 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.693 -4.408 -12.360 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.680 -8.150 -10.563 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.040 -7.902 -12.028 1.00 0.37 H new ATOM 456 N CYS A 28 -11.445 -6.257 -11.169 1.00 0.16 N ATOM 457 CA CYS A 28 -12.249 -7.481 -11.238 1.00 0.19 C ATOM 458 C CYS A 28 -11.363 -8.701 -11.502 1.00 0.19 C ATOM 459 O CYS A 28 -10.505 -8.676 -12.387 1.00 0.23 O ATOM 460 CB CYS A 28 -13.308 -7.342 -12.338 1.00 0.23 C ATOM 461 SG CYS A 28 -14.343 -5.884 -12.105 1.00 0.34 S ATOM 0 H CYS A 28 -10.969 -6.020 -12.040 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.746 -7.627 -10.279 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.816 -7.285 -13.309 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.936 -8.233 -12.351 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.165 -6.088 -11.119 1.00 0.34 H new ATOM 467 N VAL A 29 -11.587 -9.765 -10.729 1.00 0.21 N ATOM 468 CA VAL A 29 -10.839 -11.020 -10.856 1.00 0.24 C ATOM 469 C VAL A 29 -11.827 -12.144 -11.170 1.00 0.26 C ATOM 470 O VAL A 29 -12.720 -12.420 -10.369 1.00 0.38 O ATOM 471 CB VAL A 29 -10.091 -11.322 -9.547 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.366 -12.671 -9.624 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.104 -10.202 -9.209 1.00 0.33 C ATOM 0 H VAL A 29 -12.294 -9.782 -9.994 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.106 -10.937 -11.658 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.831 -11.379 -8.749 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.846 -12.859 -8.685 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.092 -13.465 -9.801 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.644 -12.650 -10.441 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.588 -10.440 -8.279 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.375 -10.104 -10.014 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.645 -9.263 -9.094 1.00 0.33 H new ATOM 483 N ILE A 30 -11.678 -12.777 -12.334 1.00 0.28 N ATOM 484 CA ILE A 30 -12.575 -13.862 -12.753 1.00 0.32 C ATOM 485 C ILE A 30 -12.090 -15.210 -12.202 1.00 0.35 C ATOM 486 O ILE A 30 -10.893 -15.503 -12.212 1.00 0.44 O ATOM 487 CB ILE A 30 -12.653 -13.915 -14.286 1.00 0.40 C ATOM 488 CG1 ILE A 30 -12.975 -12.529 -14.856 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.703 -14.930 -14.747 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.120 -12.569 -16.375 1.00 0.57 C ATOM 0 H ILE A 30 -10.943 -12.559 -13.007 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.569 -13.665 -12.351 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.680 -14.233 -14.661 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -13.898 -12.157 -14.411 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.185 -11.830 -14.583 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -13.738 -14.948 -15.836 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.439 -15.920 -14.376 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.680 -14.645 -14.357 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -13.348 -11.569 -16.745 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.188 -12.917 -16.820 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -13.928 -13.249 -16.646 1.00 0.57 H new ATOM 502 N ASN A 31 -13.034 -16.018 -11.728 1.00 0.46 N ATOM 503 CA ASN A 31 -12.753 -17.346 -11.168 1.00 0.58 C ATOM 504 C ASN A 31 -13.846 -18.327 -11.629 1.00 0.71 C ATOM 505 O ASN A 31 -14.754 -17.949 -12.380 1.00 1.20 O ATOM 506 CB ASN A 31 -12.697 -17.250 -9.626 1.00 0.73 C ATOM 507 CG ASN A 31 -11.974 -18.450 -9.000 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.412 -19.293 -9.700 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.983 -18.523 -7.678 1.00 1.47 N ATOM 0 H ASN A 31 -14.024 -15.772 -11.719 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.789 -17.713 -11.521 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -12.188 -16.330 -9.339 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.711 -17.191 -9.230 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.514 -19.296 -7.207 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.459 -17.806 -7.131 1.00 1.47 H new ATOM 516 N ASN A 32 -13.750 -19.584 -11.187 1.00 0.85 N ATOM 517 CA ASN A 32 -14.714 -20.643 -11.554 1.00 1.00 C ATOM 518 C ASN A 32 -16.138 -20.273 -11.115 1.00 1.00 C ATOM 519 O ASN A 32 -16.497 -20.427 -9.944 1.00 1.97 O ATOM 520 CB ASN A 32 -14.305 -21.976 -10.900 1.00 1.24 C ATOM 521 CG ASN A 32 -13.163 -22.643 -11.671 1.00 1.73 C ATOM 522 OD1 ASN A 32 -12.211 -21.985 -12.085 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.245 -23.954 -11.847 1.00 2.52 N ATOM 0 H ASN A 32 -13.006 -19.903 -10.566 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.703 -20.747 -12.639 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.997 -21.799 -9.869 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.164 -22.646 -10.865 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -12.502 -24.450 -12.340 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.051 -24.467 -11.489 1.00 2.52 H new ATOM 530 N GLN A 33 -16.936 -19.779 -12.072 1.00 0.75 N ATOM 531 CA GLN A 33 -18.334 -19.367 -11.844 1.00 0.67 C ATOM 532 C GLN A 33 -18.448 -18.322 -10.719 1.00 0.56 C ATOM 533 O GLN A 33 -19.486 -18.255 -10.025 1.00 0.71 O ATOM 534 CB GLN A 33 -19.215 -20.598 -11.564 1.00 0.83 C ATOM 535 CG GLN A 33 -19.812 -21.139 -12.870 1.00 1.46 C ATOM 536 CD GLN A 33 -20.076 -22.639 -12.771 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.960 -23.077 -12.035 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.310 -23.424 -13.508 1.00 2.67 N ATOM 0 H GLN A 33 -16.629 -19.652 -13.036 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.696 -18.887 -12.753 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.623 -21.374 -11.079 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.016 -20.330 -10.874 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.742 -20.616 -13.093 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.129 -20.940 -13.696 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.589 -23.019 -14.104 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.440 -24.435 -13.480 1.00 2.67 H new ATOM 547 N GLU A 34 -17.387 -17.503 -10.561 1.00 0.53 N ATOM 548 CA GLU A 34 -17.348 -16.455 -9.537 1.00 0.49 C ATOM 549 C GLU A 34 -16.405 -15.331 -9.965 1.00 0.45 C ATOM 550 O GLU A 34 -15.492 -15.540 -10.760 1.00 0.64 O ATOM 551 CB GLU A 34 -16.858 -17.028 -8.199 1.00 0.61 C ATOM 552 CG GLU A 34 -17.916 -17.905 -7.518 1.00 1.25 C ATOM 553 CD GLU A 34 -17.699 -17.936 -6.012 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.600 -16.856 -5.397 1.00 1.79 O ATOM 555 OE2 GLU A 34 -17.642 -19.042 -5.440 1.00 1.89 O ATOM 0 H GLU A 34 -16.546 -17.553 -11.136 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.358 -16.063 -9.418 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.956 -17.616 -8.367 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.586 -16.209 -7.534 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.912 -17.521 -7.739 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.869 -18.918 -7.918 1.00 1.25 H new ATOM 562 N MET A 35 -16.614 -14.150 -9.396 1.00 0.36 N ATOM 563 CA MET A 35 -15.774 -12.987 -9.664 1.00 0.35 C ATOM 564 C MET A 35 -15.613 -12.192 -8.373 1.00 0.32 C ATOM 565 O MET A 35 -16.562 -12.051 -7.592 1.00 0.42 O ATOM 566 CB MET A 35 -16.351 -12.109 -10.791 1.00 0.41 C ATOM 567 CG MET A 35 -17.683 -11.443 -10.418 1.00 0.43 C ATOM 568 SD MET A 35 -18.306 -10.381 -11.740 1.00 0.60 S ATOM 569 CE MET A 35 -19.977 -10.022 -11.168 1.00 1.25 C ATOM 0 H MET A 35 -17.370 -13.971 -8.736 1.00 0.36 H new ATOM 0 HA MET A 35 -14.798 -13.327 -10.010 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.626 -11.337 -11.048 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.495 -12.721 -11.682 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.422 -12.212 -10.193 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.551 -10.853 -9.511 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.381 -9.181 -11.731 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.609 -10.897 -11.319 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.952 -9.771 -10.108 1.00 1.25 H new ATOM 579 N GLY A 36 -14.405 -11.690 -8.144 1.00 0.27 N ATOM 580 CA GLY A 36 -14.092 -10.919 -6.939 1.00 0.29 C ATOM 581 C GLY A 36 -13.778 -9.467 -7.289 1.00 0.25 C ATOM 582 O GLY A 36 -13.042 -9.196 -8.241 1.00 0.28 O ATOM 0 H GLY A 36 -13.617 -11.803 -8.782 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.935 -10.957 -6.249 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.240 -11.366 -6.427 1.00 0.29 H new ATOM 586 N PHE A 37 -14.339 -8.540 -6.508 1.00 0.24 N ATOM 587 CA PHE A 37 -14.130 -7.101 -6.711 1.00 0.25 C ATOM 588 C PHE A 37 -13.106 -6.565 -5.709 1.00 0.25 C ATOM 589 O PHE A 37 -13.230 -6.791 -4.504 1.00 0.40 O ATOM 590 CB PHE A 37 -15.452 -6.350 -6.548 1.00 0.30 C ATOM 591 CG PHE A 37 -16.475 -6.725 -7.597 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.310 -6.296 -8.903 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.575 -7.500 -7.258 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.241 -6.637 -9.869 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.506 -7.840 -8.223 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.338 -7.408 -9.528 1.00 0.33 C ATOM 0 H PHE A 37 -14.948 -8.762 -5.721 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.751 -6.945 -7.721 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.861 -6.555 -5.559 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.264 -5.278 -6.599 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.453 -5.694 -9.169 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.704 -7.838 -6.240 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.111 -6.302 -10.887 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.363 -8.442 -7.959 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.065 -7.674 -10.281 1.00 0.33 H new ATOM 606 N TYR A 38 -12.104 -5.854 -6.216 1.00 0.20 N ATOM 607 CA TYR A 38 -11.041 -5.276 -5.384 1.00 0.21 C ATOM 608 C TYR A 38 -10.697 -3.867 -5.869 1.00 0.21 C ATOM 609 O TYR A 38 -11.224 -3.402 -6.881 1.00 0.23 O ATOM 610 CB TYR A 38 -9.805 -6.184 -5.425 1.00 0.23 C ATOM 611 CG TYR A 38 -10.104 -7.584 -4.937 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.067 -7.866 -3.583 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.433 -8.584 -5.839 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.362 -9.140 -3.130 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.722 -9.858 -5.384 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.686 -10.130 -4.033 1.00 0.44 C ATOM 617 OH TYR A 38 -10.990 -11.394 -3.583 1.00 0.55 O ATOM 0 H TYR A 38 -12.001 -5.660 -7.212 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.388 -5.203 -4.353 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.425 -6.231 -6.446 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -9.017 -5.748 -4.811 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.807 -7.090 -2.878 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.464 -8.368 -6.897 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.338 -9.358 -2.072 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.975 -10.638 -6.086 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.197 -11.972 -4.347 1.00 0.55 H new ATOM 627 N LYS A 39 -9.819 -3.181 -5.140 1.00 0.25 N ATOM 628 CA LYS A 39 -9.418 -1.811 -5.495 1.00 0.29 C ATOM 629 C LYS A 39 -8.432 -1.805 -6.671 1.00 0.28 C ATOM 630 O LYS A 39 -8.528 -0.957 -7.559 1.00 0.33 O ATOM 631 CB LYS A 39 -8.802 -1.116 -4.268 1.00 0.36 C ATOM 632 CG LYS A 39 -8.454 0.355 -4.538 1.00 0.70 C ATOM 633 CD LYS A 39 -9.703 1.234 -4.671 1.00 1.15 C ATOM 634 CE LYS A 39 -9.556 2.257 -5.808 1.00 1.82 C ATOM 635 NZ LYS A 39 -9.821 1.647 -7.146 1.00 2.51 N ATOM 0 H LYS A 39 -9.369 -3.546 -4.300 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.306 -1.262 -5.809 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.501 -1.173 -3.433 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.901 -1.650 -3.967 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.831 0.733 -3.727 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -7.865 0.425 -5.452 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -10.573 0.605 -4.857 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.883 1.757 -3.731 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -10.246 3.084 -5.643 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.549 2.674 -5.793 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -9.354 2.212 -7.884 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.448 0.676 -7.165 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -10.846 1.628 -7.322 1.00 2.51 H new ATOM 649 N ASP A 40 -7.487 -2.744 -6.666 1.00 0.28 N ATOM 650 CA ASP A 40 -6.470 -2.853 -7.726 1.00 0.32 C ATOM 651 C ASP A 40 -5.866 -4.264 -7.756 1.00 0.33 C ATOM 652 O ASP A 40 -6.398 -5.197 -7.146 1.00 0.32 O ATOM 653 CB ASP A 40 -5.366 -1.793 -7.529 1.00 0.38 C ATOM 654 CG ASP A 40 -4.445 -2.116 -6.346 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.948 -2.633 -5.330 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.230 -1.850 -6.427 1.00 0.94 O ATOM 0 H ASP A 40 -7.400 -3.449 -5.935 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.955 -2.670 -8.685 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.771 -1.720 -8.439 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.827 -0.818 -7.371 1.00 0.38 H new ATOM 661 N ALA A 41 -4.738 -4.403 -8.463 1.00 0.40 N ATOM 662 CA ALA A 41 -4.029 -5.683 -8.586 1.00 0.45 C ATOM 663 C ALA A 41 -3.440 -6.117 -7.238 1.00 0.45 C ATOM 664 O ALA A 41 -3.492 -7.296 -6.883 1.00 0.47 O ATOM 665 CB ALA A 41 -2.917 -5.564 -9.633 1.00 0.55 C ATOM 0 H ALA A 41 -4.292 -3.635 -8.964 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.743 -6.442 -8.904 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.395 -6.517 -9.719 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.352 -5.300 -10.597 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.212 -4.790 -9.329 1.00 0.55 H new ATOM 671 N LYS A 42 -2.904 -5.152 -6.480 1.00 0.46 N ATOM 672 CA LYS A 42 -2.319 -5.424 -5.158 1.00 0.48 C ATOM 673 C LYS A 42 -3.409 -5.859 -4.173 1.00 0.43 C ATOM 674 O LYS A 42 -3.241 -6.831 -3.434 1.00 0.47 O ATOM 675 CB LYS A 42 -1.599 -4.176 -4.639 1.00 0.54 C ATOM 676 CG LYS A 42 -0.539 -3.691 -5.636 1.00 0.77 C ATOM 677 CD LYS A 42 0.395 -2.657 -5.010 1.00 1.12 C ATOM 678 CE LYS A 42 -0.229 -1.256 -5.025 1.00 1.96 C ATOM 679 NZ LYS A 42 0.689 -0.245 -4.440 1.00 2.76 N ATOM 0 H LYS A 42 -2.863 -4.172 -6.760 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.596 -6.234 -5.252 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.325 -3.382 -4.461 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.127 -4.397 -3.682 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.044 -4.541 -5.989 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -1.030 -3.257 -6.507 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.622 -2.944 -3.983 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.340 -2.642 -5.554 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.474 -0.977 -6.050 1.00 1.96 H new ATOM 0 HE3 LYS A 42 -1.164 -1.267 -4.465 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 0.236 0.691 -4.466 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.903 -0.499 -3.455 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.571 -0.218 -4.990 1.00 2.76 H new ATOM 693 N SER A 43 -4.539 -5.144 -4.191 1.00 0.38 N ATOM 694 CA SER A 43 -5.686 -5.452 -3.330 1.00 0.38 C ATOM 695 C SER A 43 -6.232 -6.854 -3.662 1.00 0.39 C ATOM 696 O SER A 43 -6.614 -7.610 -2.767 1.00 0.45 O ATOM 697 CB SER A 43 -6.774 -4.387 -3.539 1.00 0.37 C ATOM 698 OG SER A 43 -7.890 -4.592 -2.681 1.00 1.04 O ATOM 0 H SER A 43 -4.684 -4.339 -4.800 1.00 0.38 H new ATOM 0 HA SER A 43 -5.374 -5.444 -2.286 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.353 -3.398 -3.357 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.106 -4.406 -4.577 1.00 0.37 H new ATOM 0 HG SER A 43 -8.305 -3.729 -2.473 1.00 1.04 H new ATOM 704 N ALA A 44 -6.244 -7.187 -4.957 1.00 0.37 N ATOM 705 CA ALA A 44 -6.723 -8.488 -5.440 1.00 0.43 C ATOM 706 C ALA A 44 -5.745 -9.611 -5.073 1.00 0.51 C ATOM 707 O ALA A 44 -6.164 -10.708 -4.701 1.00 0.59 O ATOM 708 CB ALA A 44 -6.907 -8.439 -6.960 1.00 0.43 C ATOM 0 H ALA A 44 -5.923 -6.565 -5.699 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.679 -8.699 -4.960 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.263 -9.406 -7.315 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.636 -7.669 -7.214 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.954 -8.207 -7.435 1.00 0.43 H new ATOM 714 N ALA A 45 -4.444 -9.333 -5.187 1.00 0.54 N ATOM 715 CA ALA A 45 -3.396 -10.315 -4.876 1.00 0.64 C ATOM 716 C ALA A 45 -3.389 -10.666 -3.386 1.00 0.68 C ATOM 717 O ALA A 45 -3.462 -11.840 -3.014 1.00 0.76 O ATOM 718 CB ALA A 45 -2.027 -9.766 -5.286 1.00 0.69 C ATOM 0 H ALA A 45 -4.087 -8.429 -5.495 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.608 -11.224 -5.439 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.256 -10.500 -5.052 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.022 -9.563 -6.357 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.827 -8.843 -4.741 1.00 0.69 H new ATOM 724 N SER A 46 -3.304 -9.636 -2.537 1.00 0.65 N ATOM 725 CA SER A 46 -3.291 -9.815 -1.076 1.00 0.73 C ATOM 726 C SER A 46 -4.650 -10.331 -0.571 1.00 0.74 C ATOM 727 O SER A 46 -4.710 -11.085 0.400 1.00 0.84 O ATOM 728 CB SER A 46 -2.946 -8.483 -0.392 1.00 0.75 C ATOM 729 OG SER A 46 -1.911 -7.802 -1.095 1.00 1.21 O ATOM 0 H SER A 46 -3.243 -8.663 -2.836 1.00 0.65 H new ATOM 0 HA SER A 46 -2.533 -10.557 -0.827 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.834 -7.853 -0.345 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.632 -8.668 0.635 1.00 0.75 H new ATOM 0 HG SER A 46 -2.299 -7.296 -1.839 1.00 1.21 H new ATOM 735 N GLY A 47 -5.731 -9.918 -1.242 1.00 0.70 N ATOM 736 CA GLY A 47 -7.091 -10.331 -0.879 1.00 0.74 C ATOM 737 C GLY A 47 -7.659 -9.422 0.208 1.00 0.75 C ATOM 738 O GLY A 47 -7.990 -9.882 1.301 1.00 0.88 O ATOM 0 H GLY A 47 -5.689 -9.292 -2.046 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.733 -10.299 -1.759 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.082 -11.363 -0.529 1.00 0.74 H new ATOM 742 N ILE A 48 -7.768 -8.128 -0.103 1.00 0.67 N ATOM 743 CA ILE A 48 -8.296 -7.133 0.840 1.00 0.72 C ATOM 744 C ILE A 48 -9.754 -6.820 0.489 1.00 0.75 C ATOM 745 O ILE A 48 -10.046 -6.368 -0.621 1.00 0.75 O ATOM 746 CB ILE A 48 -7.436 -5.854 0.793 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.938 -6.213 0.729 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.713 -4.961 2.008 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.053 -5.004 1.031 1.00 0.97 C ATOM 0 H ILE A 48 -7.496 -7.741 -1.007 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.257 -7.534 1.853 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.705 -5.301 -0.107 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.724 -7.008 1.443 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.699 -6.601 -0.261 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.094 -4.066 1.950 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.765 -4.675 2.017 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.478 -5.507 2.922 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.005 -5.298 0.976 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.249 -4.219 0.301 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.274 -4.632 2.032 1.00 0.97 H new ATOM 761 N PRO A 49 -10.697 -7.061 1.426 1.00 0.84 N ATOM 762 CA PRO A 49 -12.133 -6.806 1.195 1.00 0.93 C ATOM 763 C PRO A 49 -12.464 -5.308 1.140 1.00 0.93 C ATOM 764 O PRO A 49 -12.790 -4.696 2.157 1.00 1.08 O ATOM 765 CB PRO A 49 -12.823 -7.498 2.374 1.00 1.07 C ATOM 766 CG PRO A 49 -11.795 -7.554 3.459 1.00 1.06 C ATOM 767 CD PRO A 49 -10.447 -7.599 2.779 1.00 0.92 C ATOM 0 HA PRO A 49 -12.465 -7.187 0.229 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.703 -6.942 2.695 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.160 -8.498 2.100 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.871 -6.683 4.109 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.942 -8.434 4.086 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.712 -6.999 3.315 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.058 -8.616 2.736 1.00 0.92 H new ATOM 775 N TYR A 50 -12.371 -4.731 -0.059 1.00 0.87 N ATOM 776 CA TYR A 50 -12.653 -3.304 -0.279 1.00 0.91 C ATOM 777 C TYR A 50 -14.167 -3.057 -0.330 1.00 1.12 C ATOM 778 O TYR A 50 -14.677 -2.138 0.309 1.00 1.91 O ATOM 779 CB TYR A 50 -11.989 -2.835 -1.585 1.00 0.92 C ATOM 780 CG TYR A 50 -12.300 -1.395 -1.946 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.133 -0.384 -1.010 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.755 -1.082 -3.217 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.422 0.928 -1.347 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.042 0.229 -3.551 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.875 1.227 -2.615 1.00 1.17 C ATOM 786 OH TYR A 50 -13.159 2.531 -2.950 1.00 1.34 O ATOM 0 H TYR A 50 -12.100 -5.233 -0.904 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.241 -2.732 0.552 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.909 -2.952 -1.495 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.313 -3.482 -2.400 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.777 -0.620 -0.018 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.886 -1.865 -3.949 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.293 1.715 -0.619 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.396 0.470 -4.542 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.466 2.570 -3.880 1.00 1.34 H new ATOM 796 N HIS A 51 -14.876 -3.886 -1.096 1.00 1.28 N ATOM 797 CA HIS A 51 -16.332 -3.771 -1.243 1.00 1.53 C ATOM 798 C HIS A 51 -17.048 -4.566 -0.146 1.00 1.61 C ATOM 799 O HIS A 51 -16.421 -5.299 0.623 1.00 2.07 O ATOM 800 CB HIS A 51 -16.754 -4.299 -2.626 1.00 2.01 C ATOM 801 CG HIS A 51 -16.671 -3.263 -3.707 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.755 -2.562 -4.168 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.622 -2.798 -4.429 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.406 -1.721 -5.110 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.102 -1.838 -5.300 1.00 3.74 N ATOM 0 H HIS A 51 -14.464 -4.651 -1.629 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.612 -2.721 -1.151 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.120 -5.145 -2.893 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.776 -4.673 -2.568 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.595 -3.120 -4.340 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.067 -1.050 -5.639 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -15.546 -1.311 -5.973 1.00 3.74 H new ATOM 813 N SER A 52 -18.375 -4.431 -0.104 1.00 1.60 N ATOM 814 CA SER A 52 -19.217 -5.144 0.864 1.00 1.96 C ATOM 815 C SER A 52 -19.222 -6.633 0.514 1.00 1.85 C ATOM 816 O SER A 52 -18.584 -7.448 1.183 1.00 2.45 O ATOM 817 CB SER A 52 -20.644 -4.573 0.820 1.00 2.44 C ATOM 818 OG SER A 52 -21.031 -4.271 -0.519 1.00 2.65 O ATOM 0 H SER A 52 -18.897 -3.826 -0.738 1.00 1.60 H new ATOM 0 HA SER A 52 -18.824 -5.016 1.872 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.341 -5.292 1.251 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.698 -3.672 1.430 1.00 2.44 H new ATOM 0 HG SER A 52 -21.942 -3.911 -0.523 1.00 2.65 H new ATOM 824 N GLU A 53 -19.912 -6.961 -0.575 1.00 1.45 N ATOM 825 CA GLU A 53 -19.982 -8.328 -1.080 1.00 1.37 C ATOM 826 C GLU A 53 -18.874 -8.512 -2.113 1.00 1.08 C ATOM 827 O GLU A 53 -19.087 -8.325 -3.314 1.00 1.24 O ATOM 828 CB GLU A 53 -21.352 -8.602 -1.704 1.00 1.73 C ATOM 829 CG GLU A 53 -22.473 -8.488 -0.658 1.00 2.39 C ATOM 830 CD GLU A 53 -23.435 -9.664 -0.759 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.974 -10.823 -0.742 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.656 -9.435 -0.857 1.00 3.23 O ATOM 0 H GLU A 53 -20.438 -6.287 -1.131 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.848 -9.035 -0.261 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.533 -7.895 -2.514 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.361 -9.599 -2.143 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.040 -8.452 0.342 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.017 -7.555 -0.803 1.00 2.39 H new ATOM 839 N VAL A 54 -17.680 -8.841 -1.621 1.00 0.84 N ATOM 840 CA VAL A 54 -16.489 -9.029 -2.464 1.00 0.66 C ATOM 841 C VAL A 54 -16.681 -10.170 -3.474 1.00 0.55 C ATOM 842 O VAL A 54 -16.388 -9.999 -4.657 1.00 0.49 O ATOM 843 CB VAL A 54 -15.238 -9.293 -1.593 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.992 -8.663 -2.223 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.428 -8.765 -0.170 1.00 1.34 C ATOM 0 H VAL A 54 -17.506 -8.986 -0.626 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.341 -8.107 -3.026 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.099 -10.373 -1.542 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.125 -8.862 -1.593 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.828 -9.092 -3.212 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.135 -7.586 -2.314 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.531 -8.967 0.416 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.607 -7.690 -0.202 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.282 -9.262 0.291 1.00 1.34 H new ATOM 855 N PRO A 55 -17.164 -11.352 -3.027 1.00 0.62 N ATOM 856 CA PRO A 55 -17.373 -12.506 -3.906 1.00 0.59 C ATOM 857 C PRO A 55 -18.787 -12.535 -4.506 1.00 0.58 C ATOM 858 O PRO A 55 -19.780 -12.565 -3.775 1.00 0.83 O ATOM 859 CB PRO A 55 -17.152 -13.697 -2.971 1.00 0.76 C ATOM 860 CG PRO A 55 -17.455 -13.196 -1.586 1.00 0.87 C ATOM 861 CD PRO A 55 -17.538 -11.684 -1.639 1.00 0.83 C ATOM 0 HA PRO A 55 -16.707 -12.496 -4.769 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.805 -14.529 -3.237 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.127 -14.062 -3.039 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.394 -13.616 -1.226 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.678 -13.510 -0.889 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.542 -11.331 -1.401 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.859 -11.222 -0.922 1.00 0.83 H new ATOM 869 N VAL A 56 -18.866 -12.534 -5.834 1.00 0.41 N ATOM 870 CA VAL A 56 -20.141 -12.580 -6.556 1.00 0.43 C ATOM 871 C VAL A 56 -20.081 -13.716 -7.578 1.00 0.42 C ATOM 872 O VAL A 56 -19.104 -13.839 -8.318 1.00 0.43 O ATOM 873 CB VAL A 56 -20.409 -11.235 -7.249 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.659 -11.312 -8.131 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.564 -10.115 -6.216 1.00 0.63 C ATOM 0 H VAL A 56 -18.049 -12.501 -6.443 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.958 -12.762 -5.858 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.552 -11.011 -7.884 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.826 -10.347 -8.610 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.519 -12.077 -8.895 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.523 -11.567 -7.517 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.753 -9.171 -6.728 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.400 -10.343 -5.555 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.649 -10.032 -5.629 1.00 0.63 H new ATOM 885 N SER A 57 -21.112 -14.557 -7.592 1.00 0.47 N ATOM 886 CA SER A 57 -21.179 -15.703 -8.490 1.00 0.48 C ATOM 887 C SER A 57 -21.532 -15.295 -9.928 1.00 0.46 C ATOM 888 O SER A 57 -22.270 -14.331 -10.154 1.00 0.59 O ATOM 889 CB SER A 57 -22.211 -16.694 -7.953 1.00 0.61 C ATOM 890 OG SER A 57 -22.154 -16.780 -6.532 1.00 0.91 O ATOM 0 H SER A 57 -21.923 -14.462 -6.981 1.00 0.47 H new ATOM 0 HA SER A 57 -20.193 -16.166 -8.526 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.210 -16.385 -8.261 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.034 -17.678 -8.387 1.00 0.61 H new ATOM 0 HG SER A 57 -22.826 -17.420 -6.216 1.00 0.91 H new ATOM 896 N LEU A 58 -21.018 -16.066 -10.890 1.00 0.44 N ATOM 897 CA LEU A 58 -21.272 -15.853 -12.319 1.00 0.49 C ATOM 898 C LEU A 58 -21.887 -17.123 -12.905 1.00 0.60 C ATOM 899 O LEU A 58 -21.332 -17.743 -13.813 1.00 0.89 O ATOM 900 CB LEU A 58 -19.966 -15.504 -13.052 1.00 0.67 C ATOM 901 CG LEU A 58 -19.585 -14.034 -12.863 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.216 -13.756 -13.488 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.642 -13.109 -13.470 1.00 0.60 C ATOM 0 H LEU A 58 -20.409 -16.862 -10.699 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.962 -15.019 -12.446 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.161 -16.139 -12.682 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.078 -15.717 -14.115 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.533 -13.833 -11.793 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.958 -12.707 -13.346 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.464 -14.383 -13.010 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.250 -13.980 -14.554 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.346 -12.071 -13.321 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.733 -13.311 -14.537 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.602 -13.285 -12.985 1.00 0.60 H new ATOM 915 N LYS A 59 -23.039 -17.506 -12.359 1.00 0.70 N ATOM 916 CA LYS A 59 -23.768 -18.697 -12.794 1.00 0.90 C ATOM 917 C LYS A 59 -24.875 -18.275 -13.763 1.00 0.87 C ATOM 918 O LYS A 59 -25.917 -17.777 -13.336 1.00 0.95 O ATOM 919 CB LYS A 59 -24.358 -19.418 -11.564 1.00 1.13 C ATOM 920 CG LYS A 59 -23.856 -20.861 -11.457 1.00 1.41 C ATOM 921 CD LYS A 59 -24.393 -21.741 -12.589 1.00 1.78 C ATOM 922 CE LYS A 59 -25.898 -21.981 -12.447 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.382 -22.981 -13.435 1.00 2.83 N ATOM 0 H LYS A 59 -23.495 -16.999 -11.601 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.096 -19.386 -13.305 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.091 -18.872 -10.659 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.446 -19.415 -11.628 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.766 -20.868 -11.478 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.159 -21.280 -10.497 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.188 -21.266 -13.549 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.869 -22.697 -12.588 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.119 -22.328 -11.438 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.433 -21.041 -12.586 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -27.224 -22.611 -13.920 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.635 -23.168 -14.134 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.626 -23.865 -12.944 1.00 2.83 H new ATOM 937 N GLU A 60 -24.631 -18.449 -15.066 1.00 0.89 N ATOM 938 CA GLU A 60 -25.590 -18.066 -16.117 1.00 0.93 C ATOM 939 C GLU A 60 -25.868 -16.556 -16.054 1.00 0.71 C ATOM 940 O GLU A 60 -27.019 -16.120 -15.953 1.00 0.82 O ATOM 941 CB GLU A 60 -26.896 -18.876 -15.988 1.00 1.20 C ATOM 942 CG GLU A 60 -26.623 -20.386 -15.947 1.00 1.43 C ATOM 943 CD GLU A 60 -27.934 -21.161 -15.907 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.639 -21.200 -16.934 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.264 -21.736 -14.849 1.00 2.33 O ATOM 0 H GLU A 60 -23.768 -18.857 -15.425 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.153 -18.295 -17.089 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.423 -18.576 -15.082 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.551 -18.647 -16.828 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.045 -20.682 -16.823 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.022 -20.630 -15.071 1.00 1.43 H new ATOM 952 N ALA A 61 -24.793 -15.767 -16.104 1.00 0.51 N ATOM 953 CA ALA A 61 -24.884 -14.308 -16.040 1.00 0.35 C ATOM 954 C ALA A 61 -25.328 -13.728 -17.383 1.00 0.35 C ATOM 955 O ALA A 61 -24.777 -14.069 -18.438 1.00 0.43 O ATOM 956 CB ALA A 61 -23.527 -13.720 -15.642 1.00 0.31 C ATOM 0 H ALA A 61 -23.840 -16.120 -16.190 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.629 -14.043 -15.290 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.601 -12.633 -15.596 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.236 -14.106 -14.665 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.777 -14.002 -16.381 1.00 0.31 H new ATOM 962 N ILE A 62 -26.313 -12.835 -17.330 1.00 0.34 N ATOM 963 CA ILE A 62 -26.834 -12.169 -18.521 1.00 0.37 C ATOM 964 C ILE A 62 -25.998 -10.918 -18.785 1.00 0.31 C ATOM 965 O ILE A 62 -25.781 -10.105 -17.882 1.00 0.31 O ATOM 966 CB ILE A 62 -28.310 -11.791 -18.325 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.116 -12.986 -17.800 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.911 -11.270 -19.635 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.580 -12.610 -17.559 1.00 1.27 C ATOM 0 H ILE A 62 -26.771 -12.553 -16.463 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.771 -12.844 -19.375 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.360 -10.995 -17.582 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.063 -13.806 -18.516 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.673 -13.345 -16.871 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.957 -11.007 -19.476 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.361 -10.388 -19.962 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.843 -12.044 -20.400 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.123 -13.479 -17.187 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.633 -11.807 -16.823 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.028 -12.275 -18.494 1.00 1.27 H new ATOM 981 N CYS A 63 -25.525 -10.772 -20.015 1.00 0.34 N ATOM 982 CA CYS A 63 -24.700 -9.631 -20.400 1.00 0.33 C ATOM 983 C CYS A 63 -25.260 -8.981 -21.664 1.00 0.34 C ATOM 984 O CYS A 63 -25.557 -9.664 -22.650 1.00 0.52 O ATOM 985 CB CYS A 63 -23.245 -10.089 -20.604 1.00 0.37 C ATOM 986 SG CYS A 63 -22.058 -8.777 -20.271 1.00 0.53 S ATOM 0 H CYS A 63 -25.700 -11.435 -20.770 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.716 -8.885 -19.606 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.039 -10.936 -19.950 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.118 -10.439 -21.628 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.673 -7.759 -19.746 1.00 0.53 H new ATOM 992 N GLU A 64 -25.397 -7.656 -21.618 1.00 0.26 N ATOM 993 CA GLU A 64 -25.913 -6.860 -22.740 1.00 0.29 C ATOM 994 C GLU A 64 -24.891 -5.781 -23.101 1.00 0.24 C ATOM 995 O GLU A 64 -24.069 -5.394 -22.264 1.00 0.36 O ATOM 996 CB GLU A 64 -27.255 -6.220 -22.363 1.00 0.33 C ATOM 997 CG GLU A 64 -28.313 -7.277 -22.045 1.00 0.81 C ATOM 998 CD GLU A 64 -29.608 -6.607 -21.616 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.767 -6.318 -20.415 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.469 -6.359 -22.479 1.00 1.83 O ATOM 0 H GLU A 64 -25.153 -7.099 -20.799 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.074 -7.508 -23.602 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.119 -5.570 -21.499 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.602 -5.592 -23.183 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.490 -7.901 -22.921 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.955 -7.935 -21.253 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.936 -5.303 -24.339 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.999 -4.281 -24.821 1.00 0.32 C ATOM 1009 C VAL A 65 -24.661 -2.898 -24.864 1.00 0.31 C ATOM 1010 O VAL A 65 -25.838 -2.761 -25.214 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.482 -4.664 -26.219 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.177 -3.920 -26.536 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -23.272 -6.179 -26.327 1.00 0.39 C ATOM 0 H VAL A 65 -25.615 -5.607 -25.037 1.00 0.34 H new ATOM 0 HA VAL A 65 -23.161 -4.231 -24.126 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.235 -4.369 -26.950 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.828 -4.205 -27.529 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.355 -2.845 -26.508 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.420 -4.182 -25.796 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.906 -6.426 -27.324 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.542 -6.499 -25.583 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -24.218 -6.691 -26.151 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.876 -1.880 -24.523 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.309 -0.483 -24.523 1.00 0.31 C ATOM 1025 C ALA A 66 -23.086 0.373 -24.858 1.00 0.34 C ATOM 1026 O ALA A 66 -22.660 1.202 -24.055 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.885 -0.114 -23.150 1.00 0.36 C ATOM 0 H ALA A 66 -22.906 -2.003 -24.234 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.094 -0.314 -25.260 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.205 0.928 -23.158 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.739 -0.754 -22.930 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -24.121 -0.253 -22.385 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.513 0.109 -26.043 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.295 0.765 -26.563 1.00 0.71 C ATOM 1035 C LEU A 67 -21.173 2.233 -26.148 1.00 0.89 C ATOM 1036 O LEU A 67 -20.196 2.627 -25.501 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.277 0.648 -28.098 1.00 0.76 C ATOM 1038 CG LEU A 67 -19.860 0.425 -28.639 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.619 -1.062 -28.894 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.626 1.231 -29.916 1.00 1.39 C ATOM 0 H LEU A 67 -22.892 -0.586 -26.686 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.439 0.252 -26.126 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.917 -0.178 -28.406 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.694 1.555 -28.536 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.151 0.772 -27.888 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.609 -1.206 -29.278 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.735 -1.615 -27.962 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.341 -1.427 -29.625 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.613 1.054 -30.278 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.342 0.922 -30.677 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -19.755 2.293 -29.705 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.172 3.023 -26.522 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.204 4.457 -26.204 1.00 1.14 C ATOM 1054 C ASP A 68 -23.343 4.753 -25.226 1.00 0.87 C ATOM 1055 O ASP A 68 -24.341 5.379 -25.588 1.00 1.00 O ATOM 1056 CB ASP A 68 -22.360 5.282 -27.503 1.00 1.59 C ATOM 1057 CG ASP A 68 -21.917 6.733 -27.294 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -20.852 6.959 -26.679 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -22.620 7.651 -27.764 1.00 2.62 O ATOM 0 H ASP A 68 -22.981 2.697 -27.051 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.265 4.741 -25.728 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -21.768 4.829 -28.298 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -23.400 5.260 -27.828 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.179 4.293 -23.982 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.181 4.498 -22.927 1.00 0.69 C ATOM 1066 C TYR A 69 -24.128 5.948 -22.428 1.00 0.97 C ATOM 1067 O TYR A 69 -23.544 6.241 -21.380 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.939 3.511 -21.772 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.922 3.662 -20.630 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.277 3.480 -20.853 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.470 3.985 -19.360 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.177 3.617 -19.808 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.372 4.122 -18.318 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.715 3.939 -18.543 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.615 4.068 -17.511 1.00 0.97 O ATOM 0 H TYR A 69 -22.356 3.772 -23.678 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.175 4.312 -23.334 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -23.996 2.493 -22.157 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.928 3.652 -21.391 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.632 3.231 -21.842 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.414 4.130 -19.183 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.234 3.473 -19.979 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -25.020 4.373 -17.328 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.137 4.295 -16.686 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.620 2.420 -24.102 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.169 1.105 -24.440 1.00 0.38 C ATOM 1175 C HIS A 74 -17.840 0.514 -23.203 1.00 0.30 C ATOM 1176 O HIS A 74 -17.196 -0.173 -22.401 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.037 0.183 -24.933 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.769 0.305 -26.405 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.678 0.957 -26.920 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.456 -0.133 -27.492 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.682 0.927 -28.227 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.761 0.266 -28.620 1.00 1.53 N ATOM 0 HA HIS A 74 -17.908 1.202 -25.236 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.124 0.415 -24.384 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.294 -0.851 -24.702 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.380 -0.693 -27.478 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.936 1.365 -28.874 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.032 0.083 -29.586 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.129 0.813 -23.037 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.905 0.345 -21.880 1.00 0.23 C ATOM 1192 C VAL A 75 -20.752 -0.895 -22.231 1.00 0.22 C ATOM 1193 O VAL A 75 -21.100 -1.130 -23.389 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.809 1.495 -21.371 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.691 1.053 -20.196 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.974 2.716 -20.964 1.00 0.31 C ATOM 0 H VAL A 75 -19.664 1.382 -23.693 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.211 0.050 -21.093 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.461 1.772 -22.199 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.309 1.890 -19.870 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.332 0.230 -20.512 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.060 0.725 -19.370 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.635 3.507 -20.611 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.285 2.436 -20.167 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.408 3.073 -21.824 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.085 -1.666 -21.202 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.905 -2.872 -21.315 1.00 0.23 C ATOM 1208 C PHE A 76 -22.577 -3.126 -19.961 1.00 0.22 C ATOM 1209 O PHE A 76 -22.212 -2.507 -18.956 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.068 -4.082 -21.777 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.939 -4.478 -20.849 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.734 -3.795 -20.882 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.100 -5.551 -19.985 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.693 -4.184 -20.053 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.064 -5.935 -19.154 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.860 -5.252 -19.188 1.00 0.29 C ATOM 0 H PHE A 76 -20.788 -1.469 -20.246 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.671 -2.727 -22.077 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.733 -4.937 -21.900 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.649 -3.860 -22.758 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.606 -2.959 -21.554 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.037 -6.088 -19.961 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.752 -3.654 -20.082 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.194 -6.768 -18.478 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.051 -5.553 -18.539 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.576 -4.001 -19.928 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.307 -4.293 -18.685 1.00 0.28 C ATOM 1228 C LYS A 77 -24.135 -5.752 -18.274 1.00 0.31 C ATOM 1229 O LYS A 77 -23.951 -6.634 -19.115 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.802 -3.964 -18.847 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.038 -2.834 -19.863 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.357 -2.095 -19.603 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.577 -3.006 -19.786 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.237 -3.321 -18.483 1.00 1.95 N ATOM 0 H LYS A 77 -23.903 -4.523 -20.741 1.00 0.23 H new ATOM 0 HA LYS A 77 -23.889 -3.664 -17.899 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.337 -4.858 -19.168 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.216 -3.675 -17.881 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.210 -2.126 -19.817 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.047 -3.249 -20.871 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.353 -1.695 -18.589 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.435 -1.245 -20.281 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.295 -2.523 -20.449 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.269 -3.933 -20.270 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.057 -3.939 -18.650 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.560 -3.805 -17.859 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.554 -2.439 -18.032 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.207 -5.985 -16.965 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.069 -7.321 -16.378 1.00 0.24 C ATOM 1250 C LEU A 78 -25.175 -7.547 -15.347 1.00 0.29 C ATOM 1251 O LEU A 78 -25.272 -6.811 -14.361 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.692 -7.450 -15.701 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.296 -8.900 -15.382 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.715 -9.278 -13.966 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.872 -9.889 -16.396 1.00 0.30 C ATOM 0 H LEU A 78 -24.364 -5.250 -16.276 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.154 -8.071 -17.165 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.935 -7.010 -16.350 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.695 -6.872 -14.777 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.210 -8.958 -15.452 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.424 -10.309 -13.763 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -22.225 -8.616 -13.252 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.796 -9.180 -13.868 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.566 -10.901 -16.131 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.960 -9.825 -16.389 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.501 -9.647 -17.392 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.986 -8.573 -15.571 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.074 -8.934 -14.668 1.00 0.40 C ATOM 1269 C ARG A 79 -26.835 -10.355 -14.169 1.00 0.45 C ATOM 1270 O ARG A 79 -26.483 -11.246 -14.949 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.421 -8.828 -15.392 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.597 -8.858 -14.412 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.924 -8.531 -15.110 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.854 -7.234 -15.795 1.00 1.91 N ATOM 1275 CZ ARG A 79 -30.969 -7.129 -17.118 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.125 -7.412 -17.704 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -29.928 -6.735 -17.843 1.00 2.99 N ATOM 0 H ARG A 79 -25.908 -9.181 -16.386 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.100 -8.250 -13.819 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.452 -7.904 -15.969 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.518 -9.650 -16.102 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.661 -9.843 -13.950 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.421 -8.141 -13.610 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.163 -9.314 -15.830 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.730 -8.516 -14.377 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.713 -6.389 -15.242 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.923 -7.709 -17.142 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.216 -7.333 -18.717 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -29.043 -6.514 -17.387 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -30.014 -6.654 -18.856 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.007 -10.562 -12.868 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.795 -11.877 -12.254 1.00 0.68 C ATOM 1293 C LEU A 80 -27.919 -12.858 -12.630 1.00 0.84 C ATOM 1294 O LEU A 80 -28.805 -12.539 -13.427 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.698 -11.716 -10.731 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.434 -10.948 -10.321 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.333 -10.857 -8.800 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.181 -11.605 -10.899 1.00 1.26 C ATOM 0 H LEU A 80 -27.294 -9.836 -12.212 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.862 -12.295 -12.633 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.579 -11.189 -10.364 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.695 -12.699 -10.261 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.506 -9.939 -10.727 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.431 -10.309 -8.527 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -26.206 -10.336 -8.408 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.290 -11.861 -8.378 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.300 -11.041 -10.593 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.103 -12.628 -10.530 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.245 -11.616 -11.987 1.00 1.26 H new ATOM 1310 N SER A 81 -27.856 -14.060 -12.057 1.00 1.01 N ATOM 1311 CA SER A 81 -28.836 -15.126 -12.314 1.00 1.23 C ATOM 1312 C SER A 81 -30.255 -14.691 -11.931 1.00 1.40 C ATOM 1313 O SER A 81 -31.210 -14.924 -12.675 1.00 1.92 O ATOM 1314 CB SER A 81 -28.446 -16.388 -11.526 1.00 1.52 C ATOM 1315 OG SER A 81 -27.036 -16.455 -11.333 1.00 2.18 O ATOM 0 H SER A 81 -27.124 -14.327 -11.399 1.00 1.01 H new ATOM 0 HA SER A 81 -28.829 -15.341 -13.383 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.949 -16.387 -10.559 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.786 -17.275 -12.061 1.00 1.52 H new ATOM 0 HG SER A 81 -26.622 -16.904 -12.099 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.379 -14.067 -10.764 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.669 -13.602 -10.255 1.00 1.76 C ATOM 1323 C ASP A 82 -31.436 -12.650 -9.071 1.00 1.31 C ATOM 1324 O ASP A 82 -31.686 -13.012 -7.922 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.519 -14.819 -9.820 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.906 -14.396 -9.337 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.663 -13.795 -10.130 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.247 -14.677 -8.168 1.00 3.77 O ATOM 0 H ASP A 82 -29.593 -13.869 -10.145 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.206 -13.063 -11.036 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.620 -15.510 -10.657 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.004 -15.356 -9.023 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.946 -11.438 -9.340 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.690 -10.477 -8.273 1.00 1.53 C ATOM 1335 C GLY A 83 -30.113 -9.172 -8.806 1.00 1.31 C ATOM 1336 O GLY A 83 -30.729 -8.504 -9.659 1.00 1.88 O ATOM 0 H GLY A 83 -30.722 -11.104 -10.277 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.618 -10.272 -7.740 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.998 -10.912 -7.552 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.941 -8.806 -8.256 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.233 -7.558 -8.588 1.00 0.71 C ATOM 1342 C ASN A 84 -27.933 -7.403 -10.089 1.00 0.62 C ATOM 1343 O ASN A 84 -27.839 -8.384 -10.837 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.903 -7.481 -7.815 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.081 -7.707 -6.305 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.181 -7.967 -5.818 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.989 -7.603 -5.561 1.00 1.32 N ATOM 0 H ASN A 84 -28.455 -9.374 -7.562 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.904 -6.749 -8.300 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.214 -8.227 -8.211 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.447 -6.505 -7.981 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.045 -7.740 -4.552 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.093 -7.386 -5.998 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.754 -6.146 -10.497 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.430 -5.772 -11.874 1.00 0.55 C ATOM 1356 C GLU A 85 -26.468 -4.574 -11.825 1.00 0.47 C ATOM 1357 O GLU A 85 -26.640 -3.661 -11.007 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.735 -5.440 -12.653 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.732 -4.034 -13.273 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.936 -3.851 -14.190 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.223 -4.764 -14.991 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.596 -2.799 -14.119 1.00 1.43 O ATOM 0 H GLU A 85 -27.831 -5.346 -9.869 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.945 -6.594 -12.401 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.876 -6.178 -13.443 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.586 -5.530 -11.978 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.751 -3.282 -12.484 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.812 -3.881 -13.837 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.444 -4.586 -12.678 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.441 -3.514 -12.710 1.00 0.31 C ATOM 1371 C TYR A 86 -24.064 -3.140 -14.140 1.00 0.29 C ATOM 1372 O TYR A 86 -24.227 -3.932 -15.073 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.166 -3.972 -11.988 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.410 -4.544 -10.616 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.835 -5.854 -10.487 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.229 -3.760 -9.486 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -24.070 -6.388 -9.236 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.469 -4.296 -8.232 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.827 -5.576 -8.090 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.124 -6.150 -6.871 1.00 0.77 O ATOM 0 H TYR A 86 -25.284 -5.328 -13.360 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.878 -2.646 -12.216 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.664 -4.722 -12.599 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.486 -3.125 -11.901 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.983 -6.461 -11.368 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.902 -2.735 -9.584 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.431 -7.400 -9.128 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.366 -3.671 -7.357 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.922 -5.515 -6.152 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.491 -1.943 -14.283 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.992 -1.441 -15.565 1.00 0.23 C ATOM 1392 C LEU A 87 -21.470 -1.528 -15.529 1.00 0.22 C ATOM 1393 O LEU A 87 -20.855 -1.195 -14.509 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.407 0.021 -15.803 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.924 0.218 -15.853 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.251 1.591 -16.441 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.606 -0.880 -16.669 1.00 0.38 C ATOM 0 H LEU A 87 -23.360 -1.292 -13.509 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.413 -2.039 -16.373 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.993 0.643 -15.010 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.971 0.367 -16.740 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.305 0.159 -14.833 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.332 1.725 -16.474 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.808 2.368 -15.818 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.846 1.660 -17.451 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.682 -0.708 -16.683 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.223 -0.866 -17.689 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.400 -1.850 -16.217 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.870 -1.973 -16.623 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.418 -2.108 -16.718 1.00 0.19 C ATOM 1411 C PHE A 88 -18.917 -1.420 -17.982 1.00 0.20 C ATOM 1412 O PHE A 88 -19.596 -1.423 -19.003 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.029 -3.590 -16.740 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.065 -4.241 -15.373 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.985 -4.113 -14.515 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.181 -4.958 -14.971 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.021 -4.697 -13.259 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.216 -5.544 -13.719 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.125 -5.450 -12.878 1.00 0.22 C ATOM 0 H PHE A 88 -21.370 -2.250 -17.468 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.960 -1.636 -15.849 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.704 -4.126 -17.407 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.026 -3.689 -17.155 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.113 -3.557 -14.826 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -21.025 -5.059 -15.637 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.193 -4.567 -12.578 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.099 -6.077 -13.398 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.130 -5.961 -11.926 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.728 -0.829 -17.919 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.151 -0.145 -19.079 1.00 0.26 C ATOM 1431 C GLN A 89 -15.660 -0.472 -19.195 1.00 0.22 C ATOM 1432 O GLN A 89 -14.934 -0.499 -18.191 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.465 1.375 -19.008 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.250 2.297 -18.806 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.654 2.743 -20.140 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.364 2.895 -21.137 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.350 2.962 -20.162 1.00 1.63 N ATOM 0 H GLN A 89 -17.145 -0.808 -17.083 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.608 -0.505 -20.000 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.970 1.667 -19.929 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -18.167 1.545 -18.192 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.549 3.173 -18.230 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.490 1.776 -18.223 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -13.796 2.825 -19.317 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.899 3.268 -21.024 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.230 -0.748 -20.430 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.844 -1.111 -20.735 1.00 0.24 C ATOM 1448 C ALA A 90 -13.115 0.046 -21.422 1.00 0.27 C ATOM 1449 O ALA A 90 -13.735 0.941 -21.996 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.817 -2.347 -21.636 1.00 0.29 C ATOM 0 H ALA A 90 -15.837 -0.726 -21.250 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.333 -1.332 -19.798 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.784 -2.612 -21.859 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.303 -3.179 -21.127 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.345 -2.132 -22.565 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.789 0.002 -21.364 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.935 1.027 -21.964 1.00 0.44 C ATOM 1458 C LYS A 91 -10.752 0.787 -23.468 1.00 0.49 C ATOM 1459 O LYS A 91 -10.725 1.733 -24.255 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.577 1.021 -21.253 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.721 1.337 -19.757 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.864 0.072 -18.889 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.554 -0.718 -18.788 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.767 -2.061 -18.163 1.00 2.29 N ATOM 0 H LYS A 91 -11.273 -0.745 -20.900 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.411 2.000 -21.844 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.106 0.046 -21.376 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.919 1.754 -21.719 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.851 1.903 -19.425 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.592 1.975 -19.608 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.192 0.356 -17.889 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.640 -0.568 -19.309 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.126 -0.843 -19.783 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.832 -0.152 -18.199 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.939 -2.311 -17.586 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.614 -2.033 -17.560 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.897 -2.774 -18.909 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.626 -0.483 -23.846 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.444 -0.885 -25.253 1.00 0.66 C ATOM 1480 C ASP A 92 -11.662 -1.685 -25.729 1.00 0.59 C ATOM 1481 O ASP A 92 -12.294 -2.393 -24.937 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.168 -1.742 -25.380 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.666 -1.794 -26.822 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.334 -2.426 -27.666 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.614 -1.193 -27.117 1.00 2.01 O ATOM 0 H ASP A 92 -10.646 -1.266 -23.193 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.344 0.005 -25.874 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.389 -1.332 -24.737 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.372 -2.753 -25.029 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.975 -1.591 -27.028 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.110 -2.327 -27.620 1.00 0.63 C ATOM 1492 C ASP A 93 -12.857 -3.843 -27.544 1.00 0.49 C ATOM 1493 O ASP A 93 -13.783 -4.629 -27.321 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.381 -1.840 -29.075 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.818 -2.770 -30.156 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.511 -3.741 -30.536 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -11.692 -2.524 -30.638 1.00 2.13 O ATOM 0 H ASP A 93 -11.460 -1.013 -27.693 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.013 -2.120 -27.045 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.457 -1.740 -29.220 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.949 -0.848 -29.202 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.585 -4.235 -27.694 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.181 -5.641 -27.612 1.00 0.41 C ATOM 1504 C GLU A 94 -11.397 -6.142 -26.185 1.00 0.36 C ATOM 1505 O GLU A 94 -11.970 -7.208 -25.972 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.707 -5.786 -28.016 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.383 -7.208 -28.511 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.636 -8.011 -27.451 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.713 -7.460 -26.812 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.953 -9.203 -27.268 1.00 2.59 O ATOM 0 H GLU A 94 -10.815 -3.591 -27.874 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.785 -6.238 -28.296 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.474 -5.067 -28.801 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.072 -5.545 -27.164 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.307 -7.722 -28.775 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.780 -7.151 -29.418 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.966 -5.325 -25.213 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.118 -5.624 -23.781 1.00 0.29 C ATOM 1519 C GLU A 95 -12.594 -5.836 -23.437 1.00 0.24 C ATOM 1520 O GLU A 95 -12.947 -6.775 -22.725 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.546 -4.470 -22.946 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.089 -4.949 -21.565 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.087 -3.805 -20.556 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.128 -2.625 -20.969 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.037 -4.085 -19.344 1.00 1.30 O ATOM 0 H GLU A 95 -10.501 -4.436 -25.398 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.571 -6.538 -23.552 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.705 -4.020 -23.473 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.302 -3.693 -22.831 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.749 -5.744 -21.216 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.088 -5.375 -21.638 1.00 0.42 H new ATOM 1532 N MET A 96 -13.453 -4.966 -23.980 1.00 0.24 N ATOM 1533 CA MET A 96 -14.906 -5.048 -23.773 1.00 0.22 C ATOM 1534 C MET A 96 -15.426 -6.414 -24.241 1.00 0.22 C ATOM 1535 O MET A 96 -16.226 -7.057 -23.558 1.00 0.23 O ATOM 1536 CB MET A 96 -15.604 -3.923 -24.551 1.00 0.26 C ATOM 1537 CG MET A 96 -17.037 -3.686 -24.062 1.00 0.39 C ATOM 1538 SD MET A 96 -18.103 -3.000 -25.347 1.00 0.94 S ATOM 1539 CE MET A 96 -18.265 -4.400 -26.470 1.00 0.77 C ATOM 0 H MET A 96 -13.164 -4.188 -24.573 1.00 0.24 H new ATOM 0 HA MET A 96 -15.124 -4.935 -22.711 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.030 -3.002 -24.449 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.620 -4.173 -25.612 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.458 -4.628 -23.710 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.019 -3.007 -23.209 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.209 -4.326 -27.010 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.439 -4.394 -27.181 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.245 -5.328 -25.899 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.937 -6.859 -25.402 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.318 -8.154 -25.973 1.00 0.28 C ATOM 1551 C ASN A 97 -14.745 -9.303 -25.128 1.00 0.26 C ATOM 1552 O ASN A 97 -15.412 -10.317 -24.914 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.814 -8.237 -27.425 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.745 -9.089 -28.297 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.415 -10.004 -27.812 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.798 -8.780 -29.584 1.00 1.24 N ATOM 0 H ASN A 97 -14.270 -6.336 -25.969 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.404 -8.247 -25.968 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.740 -7.233 -27.843 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.811 -8.663 -27.439 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.408 -9.306 -30.210 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -15.229 -8.016 -29.949 1.00 1.24 H new ATOM 1563 N THR A 98 -13.509 -9.133 -24.638 1.00 0.25 N ATOM 1564 CA THR A 98 -12.842 -10.144 -23.799 1.00 0.27 C ATOM 1565 C THR A 98 -13.603 -10.337 -22.477 1.00 0.23 C ATOM 1566 O THR A 98 -13.852 -11.470 -22.058 1.00 0.27 O ATOM 1567 CB THR A 98 -11.385 -9.729 -23.513 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.774 -9.209 -24.684 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.565 -10.912 -22.996 1.00 0.39 C ATOM 0 H THR A 98 -12.946 -8.300 -24.809 1.00 0.25 H new ATOM 0 HA THR A 98 -12.839 -11.090 -24.341 1.00 0.27 H new ATOM 0 HB THR A 98 -11.410 -8.956 -22.745 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.088 -8.294 -24.838 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.542 -10.589 -22.803 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.008 -11.286 -22.073 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.560 -11.706 -23.743 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.968 -9.219 -21.833 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.700 -9.239 -20.553 1.00 0.20 C ATOM 1579 C TRP A 99 -16.041 -9.964 -20.698 1.00 0.21 C ATOM 1580 O TRP A 99 -16.355 -10.858 -19.911 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.937 -7.803 -20.045 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.747 -7.217 -19.329 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.015 -6.125 -19.709 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.157 -7.688 -18.096 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.020 -5.920 -18.796 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.079 -6.846 -17.800 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.438 -8.739 -17.216 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.291 -7.024 -16.675 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.652 -8.921 -16.085 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.589 -8.072 -15.818 1.00 0.29 C ATOM 0 H TRP A 99 -13.767 -8.281 -22.179 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.090 -9.779 -19.829 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.194 -7.164 -20.890 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.794 -7.801 -19.372 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.195 -5.523 -20.588 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.327 -5.174 -18.853 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.263 -9.407 -17.415 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.463 -6.361 -16.470 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.871 -9.732 -15.407 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -10.988 -8.229 -14.935 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.824 -9.578 -21.709 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.136 -10.189 -21.966 1.00 0.24 C ATOM 1603 C ILE A 100 -17.994 -11.701 -22.218 1.00 0.28 C ATOM 1604 O ILE A 100 -18.752 -12.502 -21.665 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.809 -9.492 -23.163 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.237 -8.070 -22.777 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.022 -10.287 -23.660 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.757 -7.283 -23.981 1.00 0.29 C ATOM 0 H ILE A 100 -16.572 -8.841 -22.368 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.765 -10.058 -21.086 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.081 -9.441 -23.973 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.013 -8.119 -22.013 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.390 -7.543 -22.337 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.475 -9.769 -24.505 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.702 -11.281 -23.973 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.752 -10.377 -22.856 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.049 -6.282 -23.663 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.973 -7.210 -24.734 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.621 -7.795 -24.405 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.013 -12.090 -23.042 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.770 -13.508 -23.353 1.00 0.35 C ATOM 1622 C GLN A 101 -16.336 -14.277 -22.098 1.00 0.36 C ATOM 1623 O GLN A 101 -16.765 -15.410 -21.869 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.686 -13.635 -24.432 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.250 -13.364 -25.830 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.117 -13.304 -26.853 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.839 -14.278 -27.551 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.458 -12.161 -26.938 1.00 1.76 N ATOM 0 H GLN A 101 -16.374 -11.445 -23.506 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.702 -13.937 -23.722 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.879 -12.933 -24.222 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.255 -14.636 -24.400 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.956 -14.148 -26.104 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.802 -12.424 -25.832 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.719 -11.376 -26.341 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -13.688 -12.064 -27.600 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.481 -13.648 -21.286 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.972 -14.258 -20.052 1.00 0.37 C ATOM 1639 C ALA A 102 -16.093 -14.426 -19.019 1.00 0.38 C ATOM 1640 O ALA A 102 -16.189 -15.464 -18.371 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.837 -13.409 -19.473 1.00 0.38 C ATOM 0 H ALA A 102 -15.124 -12.709 -21.463 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.585 -15.248 -20.295 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.467 -13.871 -18.558 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.026 -13.342 -20.199 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.208 -12.409 -19.250 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.947 -13.405 -18.886 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.080 -13.436 -17.946 1.00 0.38 C ATOM 1649 C ILE A 103 -19.089 -14.524 -18.351 1.00 0.47 C ATOM 1650 O ILE A 103 -19.716 -15.154 -17.496 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.745 -12.046 -17.904 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.843 -11.052 -17.155 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.134 -12.091 -17.252 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.071 -9.610 -17.611 1.00 0.35 C ATOM 0 H ILE A 103 -16.876 -12.539 -19.421 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.717 -13.682 -16.948 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.877 -11.715 -18.934 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.033 -11.127 -16.084 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.799 -11.321 -17.313 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.565 -11.090 -17.244 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.781 -12.760 -17.820 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.044 -12.455 -16.229 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.412 -8.944 -17.054 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.855 -9.527 -18.676 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.108 -9.330 -17.428 1.00 0.35 H new ATOM 1666 N SER A 104 -19.219 -14.753 -19.663 1.00 0.53 N ATOM 1667 CA SER A 104 -20.126 -15.778 -20.193 1.00 0.66 C ATOM 1668 C SER A 104 -19.589 -17.183 -19.875 1.00 0.72 C ATOM 1669 O SER A 104 -20.356 -18.090 -19.546 1.00 0.89 O ATOM 1670 CB SER A 104 -20.290 -15.598 -21.708 1.00 0.81 C ATOM 1671 OG SER A 104 -20.734 -14.278 -22.012 1.00 1.05 O ATOM 0 H SER A 104 -18.705 -14.240 -20.380 1.00 0.53 H new ATOM 0 HA SER A 104 -21.101 -15.667 -19.718 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.341 -15.792 -22.207 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.006 -16.325 -22.091 1.00 0.81 H new ATOM 0 HG SER A 104 -19.959 -13.687 -22.112 1.00 1.05 H new ATOM 1677 N SER A 105 -18.266 -17.352 -19.963 1.00 0.80 N ATOM 1678 CA SER A 105 -17.614 -18.635 -19.672 1.00 1.13 C ATOM 1679 C SER A 105 -17.529 -18.862 -18.158 1.00 1.23 C ATOM 1680 O SER A 105 -17.979 -19.892 -17.649 1.00 1.61 O ATOM 1681 CB SER A 105 -16.209 -18.652 -20.283 1.00 1.48 C ATOM 1682 OG SER A 105 -16.268 -18.400 -21.682 1.00 1.63 O ATOM 0 H SER A 105 -17.620 -16.611 -20.236 1.00 0.80 H new ATOM 0 HA SER A 105 -18.207 -19.437 -20.110 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.587 -17.900 -19.798 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.739 -19.619 -20.102 1.00 1.48 H new ATOM 0 HG SER A 105 -16.414 -17.443 -21.836 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.953 -17.886 -17.451 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.792 -17.936 -15.994 1.00 1.59 C ATOM 1690 C ALA A 106 -15.897 -19.111 -15.583 1.00 2.40 C ATOM 1691 O ALA A 106 -14.835 -19.303 -16.209 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.166 -18.017 -15.314 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.254 -19.843 -14.640 1.00 3.05 O ATOM 0 H ALA A 106 -16.583 -17.035 -17.874 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.301 -17.020 -15.665 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.035 -18.054 -14.233 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.755 -17.139 -15.579 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -18.685 -18.916 -15.647 1.00 1.90 H new