USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 958 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 49 SER OG : rot -130:sc= 0.00229 USER MOD Set 1.2: A 89 ASN : amide:sc=-0.00679 X(o=-0.0045,f=0.039) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.27 K(o=2.1,f=-4.3!) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.87 K(o=2.1,f=0.41) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.115 (180deg=-0.601) USER MOD Single : A 5 MET CE :methyl 160:sc= -1.25 (180deg=-2.53) USER MOD Single : A 7 MET CE :methyl -138:sc= -6.66! (180deg=-9.07!) USER MOD Single : A 10 TYR OH : rot -154:sc= 0.682 USER MOD Single : A 15 SER OG : rot -140:sc= -0.174 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.14) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.156 (180deg=-0.709) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 30:sc= 0.55 USER MOD Single : A 25 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.49) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00268 K(o=-0.0027,f=-0.75) USER MOD Single : A 44 TYR OH : rot 4:sc= 0.271 USER MOD Single : A 45 THR OG1 : rot 50:sc= 0.245 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.502 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 63 SER OG : rot -139:sc= 1.1 USER MOD Single : A 68 SER OG : rot 180:sc= 0.03 USER MOD Single : A 69 SER OG : rot -170:sc= -0.969 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.039) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 87 SER OG : rot 74:sc= 0.528 USER MOD Single : A 90 TYR OH : rot -149:sc= 1.29 USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= -0.0171 (180deg=-0.218) USER MOD Single : A 96 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.8!) USER MOD Single : A 98 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-3.7!) USER MOD Single : A 99 CYS SG : rot 81:sc= -2.52! USER MOD Single : A 101 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.6) USER MOD Single : A 104 SER OG : rot -8:sc= 0.95 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 36:sc= 0.0106 USER MOD Single : A 116 CYS SG : rot 58:sc= -2.17! USER MOD Single : A 117 SER OG : rot 160:sc= -1.1 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 10.551 -14.551 6.584 1.00 1.02 N ATOM 21 CA MET A 3 10.411 -13.259 7.228 1.00 0.92 C ATOM 22 C MET A 3 9.736 -12.262 6.300 1.00 0.65 C ATOM 23 O MET A 3 10.328 -11.795 5.324 1.00 0.82 O ATOM 24 CB MET A 3 11.779 -12.731 7.660 1.00 1.21 C ATOM 25 CG MET A 3 11.708 -11.435 8.451 1.00 1.47 C ATOM 26 SD MET A 3 10.755 -11.600 9.974 1.00 1.88 S ATOM 27 CE MET A 3 11.718 -12.838 10.843 1.00 2.83 C ATOM 0 HA MET A 3 9.785 -13.385 8.111 1.00 0.92 H new ATOM 0 HB2 MET A 3 12.278 -13.489 8.264 1.00 1.21 H new ATOM 0 HB3 MET A 3 12.395 -12.573 6.774 1.00 1.21 H new ATOM 0 HG2 MET A 3 12.719 -11.106 8.693 1.00 1.47 H new ATOM 0 HG3 MET A 3 11.261 -10.659 7.830 1.00 1.47 H new ATOM 0 HE1 MET A 3 11.461 -12.821 11.902 1.00 2.83 H new ATOM 0 HE2 MET A 3 11.499 -13.824 10.432 1.00 2.83 H new ATOM 0 HE3 MET A 3 12.780 -12.623 10.724 1.00 2.83 H new ATOM 37 N ALA A 4 8.486 -11.965 6.602 1.00 0.46 N ATOM 38 CA ALA A 4 7.736 -10.962 5.868 1.00 0.37 C ATOM 39 C ALA A 4 8.131 -9.567 6.340 1.00 0.34 C ATOM 40 O ALA A 4 7.755 -9.139 7.430 1.00 0.43 O ATOM 41 CB ALA A 4 6.242 -11.191 6.041 1.00 0.57 C ATOM 0 H ALA A 4 7.964 -12.409 7.358 1.00 0.46 H new ATOM 0 HA ALA A 4 7.972 -11.046 4.807 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.691 -10.432 5.486 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.979 -12.179 5.664 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.984 -11.126 7.098 1.00 0.57 H new ATOM 47 N MET A 5 8.889 -8.866 5.514 1.00 0.30 N ATOM 48 CA MET A 5 9.431 -7.562 5.877 1.00 0.33 C ATOM 49 C MET A 5 8.537 -6.445 5.359 1.00 0.34 C ATOM 50 O MET A 5 8.452 -6.233 4.153 1.00 0.34 O ATOM 51 CB MET A 5 10.834 -7.387 5.293 1.00 0.35 C ATOM 52 CG MET A 5 11.828 -8.453 5.723 1.00 0.63 C ATOM 53 SD MET A 5 13.512 -8.088 5.190 1.00 1.25 S ATOM 54 CE MET A 5 13.794 -6.530 6.027 1.00 0.90 C ATOM 0 H MET A 5 9.146 -9.180 4.578 1.00 0.30 H new ATOM 0 HA MET A 5 9.478 -7.511 6.965 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.765 -7.389 4.205 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.218 -6.410 5.586 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.807 -8.547 6.809 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.522 -9.416 5.314 1.00 0.63 H new ATOM 0 HE1 MET A 5 14.866 -6.345 6.101 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.325 -5.724 5.463 1.00 0.90 H new ATOM 0 HE3 MET A 5 13.363 -6.571 7.027 1.00 0.90 H new ATOM 64 N PRO A 6 7.855 -5.719 6.261 1.00 0.41 N ATOM 65 CA PRO A 6 7.006 -4.580 5.887 1.00 0.46 C ATOM 66 C PRO A 6 7.729 -3.636 4.936 1.00 0.39 C ATOM 67 O PRO A 6 8.916 -3.374 5.087 1.00 0.38 O ATOM 68 CB PRO A 6 6.727 -3.901 7.226 1.00 0.58 C ATOM 69 CG PRO A 6 6.804 -5.005 8.223 1.00 0.61 C ATOM 70 CD PRO A 6 7.862 -5.947 7.717 1.00 0.49 C ATOM 0 HA PRO A 6 6.101 -4.881 5.360 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.460 -3.123 7.437 1.00 0.58 H new ATOM 0 HB3 PRO A 6 5.746 -3.426 7.234 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.062 -4.622 9.210 1.00 0.61 H new ATOM 0 HG3 PRO A 6 5.844 -5.512 8.319 1.00 0.61 H new ATOM 0 HD2 PRO A 6 8.837 -5.728 8.153 1.00 0.49 H new ATOM 0 HD3 PRO A 6 7.628 -6.983 7.963 1.00 0.49 H new ATOM 78 N MET A 7 6.993 -3.147 3.949 1.00 0.37 N ATOM 79 CA MET A 7 7.564 -2.389 2.841 1.00 0.32 C ATOM 80 C MET A 7 8.245 -1.110 3.311 1.00 0.29 C ATOM 81 O MET A 7 9.219 -0.661 2.711 1.00 0.28 O ATOM 82 CB MET A 7 6.472 -2.065 1.830 1.00 0.40 C ATOM 83 CG MET A 7 6.796 -2.544 0.432 1.00 0.37 C ATOM 84 SD MET A 7 8.208 -1.673 -0.274 1.00 1.39 S ATOM 85 CE MET A 7 8.269 -2.395 -1.908 1.00 0.77 C ATOM 0 H MET A 7 5.981 -3.264 3.892 1.00 0.37 H new ATOM 0 HA MET A 7 8.330 -3.006 2.373 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.537 -2.520 2.156 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.312 -0.987 1.810 1.00 0.40 H new ATOM 0 HG2 MET A 7 7.005 -3.613 0.455 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.926 -2.403 -0.210 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.305 -2.599 -2.177 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.702 -3.326 -1.916 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.837 -1.701 -2.629 1.00 0.77 H new ATOM 95 N ILE A 8 7.734 -0.528 4.380 1.00 0.30 N ATOM 96 CA ILE A 8 8.358 0.648 4.964 1.00 0.27 C ATOM 97 C ILE A 8 9.673 0.247 5.629 1.00 0.30 C ATOM 98 O ILE A 8 10.700 0.903 5.451 1.00 0.34 O ATOM 99 CB ILE A 8 7.415 1.322 5.985 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.077 1.667 5.323 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.049 2.574 6.570 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.203 2.597 4.131 1.00 0.36 C ATOM 0 H ILE A 8 6.893 -0.847 4.861 1.00 0.30 H new ATOM 0 HA ILE A 8 8.561 1.371 4.174 1.00 0.27 H new ATOM 0 HB ILE A 8 7.238 0.619 6.799 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.593 0.745 5.002 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.424 2.128 6.064 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.364 3.028 7.286 1.00 0.38 H new ATOM 0 HG22 ILE A 8 8.978 2.309 7.075 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.260 3.283 5.769 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.214 2.794 3.717 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.657 3.536 4.448 1.00 0.36 H new ATOM 0 HD13 ILE A 8 6.828 2.130 3.370 1.00 0.36 H new ATOM 114 N GLU A 9 9.623 -0.870 6.352 1.00 0.32 N ATOM 115 CA GLU A 9 10.799 -1.465 6.985 1.00 0.39 C ATOM 116 C GLU A 9 11.865 -1.795 5.934 1.00 0.34 C ATOM 117 O GLU A 9 13.067 -1.677 6.181 1.00 0.37 O ATOM 118 CB GLU A 9 10.367 -2.745 7.715 1.00 0.53 C ATOM 119 CG GLU A 9 11.447 -3.404 8.554 1.00 0.66 C ATOM 120 CD GLU A 9 11.725 -2.656 9.839 1.00 0.87 C ATOM 121 OE1 GLU A 9 10.763 -2.347 10.567 1.00 1.20 O ATOM 122 OE2 GLU A 9 12.908 -2.371 10.120 1.00 1.67 O ATOM 0 H GLU A 9 8.761 -1.391 6.516 1.00 0.32 H new ATOM 0 HA GLU A 9 11.229 -0.758 7.694 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.521 -2.509 8.360 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.013 -3.464 6.976 1.00 0.53 H new ATOM 0 HG2 GLU A 9 11.146 -4.425 8.790 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.365 -3.470 7.971 1.00 0.66 H new ATOM 129 N TYR A 10 11.398 -2.209 4.761 1.00 0.33 N ATOM 130 CA TYR A 10 12.267 -2.568 3.647 1.00 0.33 C ATOM 131 C TYR A 10 13.108 -1.375 3.202 1.00 0.33 C ATOM 132 O TYR A 10 14.335 -1.460 3.142 1.00 0.40 O ATOM 133 CB TYR A 10 11.417 -3.092 2.484 1.00 0.37 C ATOM 134 CG TYR A 10 12.210 -3.520 1.268 1.00 0.45 C ATOM 135 CD1 TYR A 10 12.883 -4.737 1.246 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.295 -2.705 0.147 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.615 -5.128 0.142 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.026 -3.088 -0.962 1.00 0.60 C ATOM 139 CZ TYR A 10 13.653 -4.314 -0.975 1.00 0.68 C ATOM 140 OH TYR A 10 14.414 -4.687 -2.060 1.00 0.80 O ATOM 0 H TYR A 10 10.403 -2.305 4.556 1.00 0.33 H new ATOM 0 HA TYR A 10 12.951 -3.351 3.974 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.828 -3.940 2.834 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.712 -2.315 2.187 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.832 -5.387 2.107 1.00 0.56 H new ATOM 0 HD2 TYR A 10 11.781 -1.755 0.141 1.00 0.50 H new ATOM 0 HE1 TYR A 10 14.154 -6.064 0.151 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.105 -2.429 -1.814 1.00 0.60 H new ATOM 0 HH TYR A 10 14.678 -3.889 -2.564 1.00 0.80 H new ATOM 150 N LEU A 11 12.450 -0.260 2.906 1.00 0.33 N ATOM 151 CA LEU A 11 13.163 0.939 2.475 1.00 0.40 C ATOM 152 C LEU A 11 14.060 1.474 3.580 1.00 0.41 C ATOM 153 O LEU A 11 15.129 2.022 3.305 1.00 0.51 O ATOM 154 CB LEU A 11 12.203 2.026 1.993 1.00 0.47 C ATOM 155 CG LEU A 11 11.791 1.926 0.521 1.00 0.82 C ATOM 156 CD1 LEU A 11 10.838 0.765 0.293 1.00 1.30 C ATOM 157 CD2 LEU A 11 11.171 3.232 0.053 1.00 1.45 C ATOM 0 H LEU A 11 11.436 -0.160 2.955 1.00 0.33 H new ATOM 0 HA LEU A 11 13.791 0.650 1.632 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.304 1.993 2.608 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.667 2.998 2.159 1.00 0.47 H new ATOM 0 HG LEU A 11 12.689 1.738 -0.068 1.00 0.82 H new ATOM 0 HD11 LEU A 11 10.564 0.721 -0.761 1.00 1.30 H new ATOM 0 HD12 LEU A 11 11.324 -0.167 0.581 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.941 0.907 0.895 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.884 3.144 -0.995 1.00 1.45 H new ATOM 0 HD22 LEU A 11 10.288 3.452 0.654 1.00 1.45 H new ATOM 0 HD23 LEU A 11 11.895 4.039 0.164 1.00 1.45 H new ATOM 169 N GLU A 12 13.638 1.303 4.826 1.00 0.39 N ATOM 170 CA GLU A 12 14.462 1.694 5.962 1.00 0.50 C ATOM 171 C GLU A 12 15.806 0.971 5.934 1.00 0.53 C ATOM 172 O GLU A 12 16.861 1.596 5.971 1.00 0.61 O ATOM 173 CB GLU A 12 13.750 1.390 7.284 1.00 0.59 C ATOM 174 CG GLU A 12 12.550 2.277 7.563 1.00 0.65 C ATOM 175 CD GLU A 12 11.938 2.005 8.922 1.00 0.74 C ATOM 176 OE1 GLU A 12 12.658 2.098 9.937 1.00 1.41 O ATOM 177 OE2 GLU A 12 10.726 1.704 8.982 1.00 0.90 O ATOM 0 H GLU A 12 12.735 0.899 5.075 1.00 0.39 H new ATOM 0 HA GLU A 12 14.633 2.768 5.888 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.425 0.350 7.278 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.464 1.496 8.101 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.853 3.323 7.506 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.798 2.120 6.790 1.00 0.65 H new ATOM 184 N ARG A 13 15.759 -0.349 5.846 1.00 0.50 N ATOM 185 CA ARG A 13 16.960 -1.167 5.965 1.00 0.57 C ATOM 186 C ARG A 13 17.782 -1.211 4.676 1.00 0.60 C ATOM 187 O ARG A 13 19.007 -1.319 4.723 1.00 0.69 O ATOM 188 CB ARG A 13 16.582 -2.587 6.386 1.00 0.58 C ATOM 189 CG ARG A 13 15.840 -2.641 7.708 1.00 0.61 C ATOM 190 CD ARG A 13 15.489 -4.065 8.098 1.00 0.65 C ATOM 191 NE ARG A 13 14.744 -4.110 9.351 1.00 1.36 N ATOM 192 CZ ARG A 13 14.850 -5.079 10.254 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.672 -6.101 10.048 1.00 1.16 N ATOM 194 NH2 ARG A 13 14.127 -5.018 11.365 1.00 2.57 N ATOM 0 H ARG A 13 14.901 -0.879 5.692 1.00 0.50 H new ATOM 0 HA ARG A 13 17.586 -0.702 6.726 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.962 -3.036 5.610 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.487 -3.190 6.460 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.454 -2.191 8.488 1.00 0.61 H new ATOM 0 HG3 ARG A 13 14.928 -2.048 7.638 1.00 0.61 H new ATOM 0 HD2 ARG A 13 14.898 -4.525 7.306 1.00 0.65 H new ATOM 0 HD3 ARG A 13 16.402 -4.652 8.196 1.00 0.65 H new ATOM 0 HE ARG A 13 14.098 -3.346 9.547 1.00 1.36 H new ATOM 0 HH11 ARG A 13 16.226 -6.145 9.193 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.749 -6.842 10.745 1.00 1.16 H new ATOM 0 HH21 ARG A 13 13.496 -4.232 11.520 1.00 2.57 H new ATOM 0 HH22 ARG A 13 14.202 -5.757 12.064 1.00 2.57 H new ATOM 208 N PHE A 14 17.125 -1.137 3.528 1.00 0.58 N ATOM 209 CA PHE A 14 17.818 -1.365 2.263 1.00 0.68 C ATOM 210 C PHE A 14 18.006 -0.094 1.435 1.00 0.75 C ATOM 211 O PHE A 14 19.029 0.067 0.768 1.00 0.96 O ATOM 212 CB PHE A 14 17.071 -2.411 1.435 1.00 0.68 C ATOM 213 CG PHE A 14 17.029 -3.767 2.079 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.104 -4.633 1.972 1.00 0.88 C ATOM 215 CD2 PHE A 14 15.914 -4.175 2.791 1.00 0.69 C ATOM 216 CE1 PHE A 14 18.069 -5.879 2.564 1.00 0.98 C ATOM 217 CE2 PHE A 14 15.873 -5.421 3.386 1.00 0.79 C ATOM 218 CZ PHE A 14 16.952 -6.275 3.272 1.00 0.93 C ATOM 0 H PHE A 14 16.131 -0.925 3.443 1.00 0.58 H new ATOM 0 HA PHE A 14 18.814 -1.725 2.520 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.051 -2.067 1.264 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.546 -2.496 0.458 1.00 0.68 H new ATOM 0 HD1 PHE A 14 18.980 -4.330 1.419 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.067 -3.512 2.882 1.00 0.69 H new ATOM 0 HE1 PHE A 14 18.915 -6.544 2.473 1.00 0.98 H new ATOM 0 HE2 PHE A 14 14.998 -5.727 3.940 1.00 0.79 H new ATOM 0 HZ PHE A 14 16.922 -7.250 3.735 1.00 0.93 H new ATOM 228 N SER A 15 17.037 0.806 1.467 1.00 0.69 N ATOM 229 CA SER A 15 17.048 1.943 0.554 1.00 0.83 C ATOM 230 C SER A 15 17.654 3.201 1.182 1.00 0.91 C ATOM 231 O SER A 15 18.374 3.945 0.514 1.00 1.07 O ATOM 232 CB SER A 15 15.629 2.229 0.068 1.00 0.81 C ATOM 233 OG SER A 15 15.036 1.055 -0.462 1.00 1.37 O ATOM 0 H SER A 15 16.242 0.776 2.105 1.00 0.69 H new ATOM 0 HA SER A 15 17.684 1.674 -0.290 1.00 0.83 H new ATOM 0 HB2 SER A 15 15.026 2.607 0.893 1.00 0.81 H new ATOM 0 HB3 SER A 15 15.650 3.008 -0.694 1.00 0.81 H new ATOM 0 HG SER A 15 14.518 1.283 -1.262 1.00 1.37 H new ATOM 239 N LEU A 16 17.362 3.453 2.452 1.00 0.84 N ATOM 240 CA LEU A 16 17.799 4.695 3.084 1.00 0.95 C ATOM 241 C LEU A 16 18.802 4.468 4.208 1.00 0.98 C ATOM 242 O LEU A 16 19.607 5.352 4.508 1.00 1.12 O ATOM 243 CB LEU A 16 16.597 5.455 3.639 1.00 0.94 C ATOM 244 CG LEU A 16 15.549 5.867 2.608 1.00 0.99 C ATOM 245 CD1 LEU A 16 14.356 6.500 3.298 1.00 0.95 C ATOM 246 CD2 LEU A 16 16.145 6.827 1.587 1.00 1.22 C ATOM 0 H LEU A 16 16.833 2.826 3.058 1.00 0.84 H new ATOM 0 HA LEU A 16 18.296 5.277 2.308 1.00 0.95 H new ATOM 0 HB2 LEU A 16 16.114 4.835 4.395 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.957 6.351 4.144 1.00 0.94 H new ATOM 0 HG LEU A 16 15.215 4.974 2.080 1.00 0.99 H new ATOM 0 HD11 LEU A 16 13.616 6.790 2.552 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.913 5.783 3.990 1.00 0.95 H new ATOM 0 HD13 LEU A 16 14.680 7.383 3.849 1.00 0.95 H new ATOM 0 HD21 LEU A 16 15.381 7.108 0.862 1.00 1.22 H new ATOM 0 HD22 LEU A 16 16.508 7.720 2.096 1.00 1.22 H new ATOM 0 HD23 LEU A 16 16.974 6.341 1.071 1.00 1.22 H new ATOM 258 N LYS A 17 18.735 3.291 4.835 1.00 0.88 N ATOM 259 CA LYS A 17 19.545 2.972 6.019 1.00 0.96 C ATOM 260 C LYS A 17 19.096 3.804 7.217 1.00 1.01 C ATOM 261 O LYS A 17 19.814 3.928 8.212 1.00 1.13 O ATOM 262 CB LYS A 17 21.038 3.193 5.759 1.00 1.12 C ATOM 263 CG LYS A 17 21.628 2.261 4.716 1.00 1.09 C ATOM 264 CD LYS A 17 21.445 0.806 5.110 1.00 1.00 C ATOM 265 CE LYS A 17 22.027 -0.133 4.071 1.00 1.08 C ATOM 266 NZ LYS A 17 21.777 -1.558 4.410 1.00 1.20 N ATOM 0 H LYS A 17 18.120 2.533 4.539 1.00 0.88 H new ATOM 0 HA LYS A 17 19.394 1.916 6.241 1.00 0.96 H new ATOM 0 HB2 LYS A 17 21.192 4.224 5.439 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.582 3.065 6.695 1.00 1.12 H new ATOM 0 HG2 LYS A 17 21.152 2.442 3.752 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.689 2.476 4.592 1.00 1.09 H new ATOM 0 HD2 LYS A 17 21.924 0.626 6.072 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.383 0.594 5.238 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.593 0.090 3.096 1.00 1.08 H new ATOM 0 HE3 LYS A 17 23.100 0.038 3.988 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 22.084 -2.162 3.621 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 22.311 -1.810 5.266 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 20.761 -1.701 4.580 1.00 1.20 H new ATOM 280 N ALA A 18 17.899 4.360 7.102 1.00 0.97 N ATOM 281 CA ALA A 18 17.313 5.194 8.139 1.00 1.05 C ATOM 282 C ALA A 18 15.798 5.010 8.160 1.00 0.85 C ATOM 283 O ALA A 18 15.213 4.566 7.171 1.00 0.93 O ATOM 284 CB ALA A 18 17.672 6.652 7.896 1.00 1.21 C ATOM 0 H ALA A 18 17.304 4.244 6.282 1.00 0.97 H new ATOM 0 HA ALA A 18 17.712 4.896 9.108 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.230 7.271 8.677 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.756 6.767 7.912 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.288 6.964 6.925 1.00 1.21 H new ATOM 290 N LYS A 19 15.175 5.352 9.282 1.00 0.94 N ATOM 291 CA LYS A 19 13.749 5.157 9.473 1.00 0.87 C ATOM 292 C LYS A 19 12.939 6.076 8.572 1.00 0.66 C ATOM 293 O LYS A 19 13.192 7.283 8.524 1.00 0.72 O ATOM 294 CB LYS A 19 13.399 5.450 10.926 1.00 1.18 C ATOM 295 CG LYS A 19 14.342 4.805 11.919 1.00 1.36 C ATOM 296 CD LYS A 19 14.075 5.296 13.329 1.00 1.62 C ATOM 297 CE LYS A 19 15.137 4.809 14.297 1.00 1.96 C ATOM 298 NZ LYS A 19 16.505 5.188 13.856 1.00 2.32 N ATOM 0 H LYS A 19 15.647 5.772 10.083 1.00 0.94 H new ATOM 0 HA LYS A 19 13.506 4.126 9.218 1.00 0.87 H new ATOM 0 HB2 LYS A 19 13.403 6.529 11.082 1.00 1.18 H new ATOM 0 HB3 LYS A 19 12.385 5.104 11.123 1.00 1.18 H new ATOM 0 HG2 LYS A 19 14.229 3.722 11.881 1.00 1.36 H new ATOM 0 HG3 LYS A 19 15.373 5.028 11.643 1.00 1.36 H new ATOM 0 HD2 LYS A 19 14.046 6.386 13.337 1.00 1.62 H new ATOM 0 HD3 LYS A 19 13.095 4.949 13.657 1.00 1.62 H new ATOM 0 HE2 LYS A 19 14.946 5.226 15.286 1.00 1.96 H new ATOM 0 HE3 LYS A 19 15.073 3.725 14.391 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 17.147 5.183 14.674 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 16.843 4.506 13.147 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 16.484 6.140 13.438 1.00 2.32 H new ATOM 312 N ILE A 20 11.968 5.511 7.868 1.00 0.55 N ATOM 313 CA ILE A 20 11.067 6.309 7.056 1.00 0.46 C ATOM 314 C ILE A 20 9.994 6.943 7.935 1.00 0.53 C ATOM 315 O ILE A 20 9.336 6.266 8.722 1.00 0.66 O ATOM 316 CB ILE A 20 10.390 5.485 5.935 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.439 4.949 4.950 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.341 6.323 5.210 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.882 4.655 3.577 1.00 0.77 C ATOM 0 H ILE A 20 11.786 4.508 7.844 1.00 0.55 H new ATOM 0 HA ILE A 20 11.670 7.082 6.579 1.00 0.46 H new ATOM 0 HB ILE A 20 9.886 4.633 6.391 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.245 5.677 4.858 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.877 4.038 5.358 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.877 5.725 4.426 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.579 6.646 5.920 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.817 7.197 4.766 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.678 4.280 2.934 1.00 0.77 H new ATOM 0 HD12 ILE A 20 10.096 3.904 3.656 1.00 0.77 H new ATOM 0 HD13 ILE A 20 10.469 5.568 3.149 1.00 0.77 H new ATOM 331 N ASN A 21 9.834 8.244 7.796 1.00 0.51 N ATOM 332 CA ASN A 21 8.862 8.993 8.570 1.00 0.59 C ATOM 333 C ASN A 21 8.436 10.210 7.754 1.00 0.67 C ATOM 334 O ASN A 21 8.658 10.239 6.544 1.00 0.69 O ATOM 335 CB ASN A 21 9.468 9.412 9.922 1.00 0.63 C ATOM 336 CG ASN A 21 8.419 9.743 10.973 1.00 1.26 C ATOM 337 OD1 ASN A 21 7.969 10.885 11.081 1.00 2.19 O ATOM 338 ND2 ASN A 21 8.027 8.750 11.759 1.00 1.85 N ATOM 0 H ASN A 21 10.374 8.813 7.143 1.00 0.51 H new ATOM 0 HA ASN A 21 7.988 8.377 8.782 1.00 0.59 H new ATOM 0 HB2 ASN A 21 10.103 8.608 10.293 1.00 0.63 H new ATOM 0 HB3 ASN A 21 10.109 10.281 9.772 1.00 0.63 H new ATOM 0 HD21 ASN A 21 7.329 8.918 12.484 1.00 1.85 H new ATOM 0 HD22 ASN A 21 8.423 7.818 11.639 1.00 1.85 H new ATOM 345 N ASN A 22 7.850 11.211 8.389 1.00 0.78 N ATOM 346 CA ASN A 22 7.433 12.420 7.682 1.00 0.97 C ATOM 347 C ASN A 22 8.650 13.173 7.136 1.00 0.99 C ATOM 348 O ASN A 22 8.548 13.922 6.166 1.00 1.18 O ATOM 349 CB ASN A 22 6.624 13.334 8.614 1.00 1.13 C ATOM 350 CG ASN A 22 7.499 14.192 9.516 1.00 1.38 C ATOM 351 OD1 ASN A 22 7.841 15.325 9.173 1.00 1.80 O ATOM 352 ND2 ASN A 22 7.872 13.661 10.671 1.00 2.01 N ATOM 0 H ASN A 22 7.651 11.215 9.389 1.00 0.78 H new ATOM 0 HA ASN A 22 6.802 12.124 6.844 1.00 0.97 H new ATOM 0 HB2 ASN A 22 5.986 13.982 8.013 1.00 1.13 H new ATOM 0 HB3 ASN A 22 5.966 12.722 9.231 1.00 1.13 H new ATOM 0 HD21 ASN A 22 8.462 14.194 11.310 1.00 2.01 H new ATOM 0 HD22 ASN A 22 7.569 12.720 10.921 1.00 2.01 H new ATOM 359 N THR A 23 9.804 12.948 7.756 1.00 0.90 N ATOM 360 CA THR A 23 11.020 13.658 7.396 1.00 1.04 C ATOM 361 C THR A 23 11.665 13.067 6.142 1.00 0.91 C ATOM 362 O THR A 23 12.433 13.738 5.454 1.00 0.91 O ATOM 363 CB THR A 23 12.028 13.656 8.563 1.00 1.27 C ATOM 364 OG1 THR A 23 13.212 14.384 8.213 1.00 1.39 O ATOM 365 CG2 THR A 23 12.390 12.237 8.951 1.00 1.78 C ATOM 0 H THR A 23 9.920 12.275 8.514 1.00 0.90 H new ATOM 0 HA THR A 23 10.739 14.689 7.179 1.00 1.04 H new ATOM 0 HB THR A 23 11.557 14.145 9.416 1.00 1.27 H new ATOM 0 HG1 THR A 23 13.838 14.372 8.967 1.00 1.39 H new ATOM 0 HG21 THR A 23 13.102 12.256 9.776 1.00 1.78 H new ATOM 0 HG22 THR A 23 11.491 11.704 9.260 1.00 1.78 H new ATOM 0 HG23 THR A 23 12.838 11.729 8.097 1.00 1.78 H new ATOM 373 N THR A 24 11.354 11.815 5.838 1.00 0.92 N ATOM 374 CA THR A 24 11.871 11.191 4.637 1.00 0.90 C ATOM 375 C THR A 24 10.907 11.433 3.478 1.00 0.80 C ATOM 376 O THR A 24 9.756 10.995 3.514 1.00 1.03 O ATOM 377 CB THR A 24 12.080 9.682 4.858 1.00 1.18 C ATOM 378 OG1 THR A 24 10.898 9.111 5.426 1.00 1.68 O ATOM 379 CG2 THR A 24 13.265 9.426 5.782 1.00 1.42 C ATOM 0 H THR A 24 10.751 11.218 6.404 1.00 0.92 H new ATOM 0 HA THR A 24 12.837 11.634 4.395 1.00 0.90 H new ATOM 0 HB THR A 24 12.287 9.219 3.893 1.00 1.18 H new ATOM 0 HG1 THR A 24 10.113 9.613 5.121 1.00 1.68 H new ATOM 0 HG21 THR A 24 13.392 8.353 5.922 1.00 1.42 H new ATOM 0 HG22 THR A 24 14.169 9.843 5.338 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.083 9.899 6.747 1.00 1.42 H new ATOM 387 N ASN A 25 11.383 12.119 2.448 1.00 0.71 N ATOM 388 CA ASN A 25 10.523 12.531 1.342 1.00 0.76 C ATOM 389 C ASN A 25 10.581 11.539 0.182 1.00 0.77 C ATOM 390 O ASN A 25 11.061 11.849 -0.907 1.00 0.87 O ATOM 391 CB ASN A 25 10.889 13.952 0.878 1.00 0.90 C ATOM 392 CG ASN A 25 12.378 14.146 0.636 1.00 1.23 C ATOM 393 OD1 ASN A 25 13.133 14.441 1.562 1.00 1.82 O ATOM 394 ND2 ASN A 25 12.809 13.999 -0.607 1.00 1.98 N ATOM 0 H ASN A 25 12.358 12.403 2.353 1.00 0.71 H new ATOM 0 HA ASN A 25 9.495 12.541 1.703 1.00 0.76 H new ATOM 0 HB2 ASN A 25 10.347 14.177 -0.041 1.00 0.90 H new ATOM 0 HB3 ASN A 25 10.554 14.668 1.628 1.00 0.90 H new ATOM 0 HD21 ASN A 25 13.797 14.131 -0.823 1.00 1.98 H new ATOM 0 HD22 ASN A 25 12.153 13.754 -1.349 1.00 1.98 H new ATOM 401 N LEU A 26 10.061 10.341 0.424 1.00 0.79 N ATOM 402 CA LEU A 26 10.027 9.298 -0.597 1.00 0.82 C ATOM 403 C LEU A 26 8.797 9.448 -1.477 1.00 0.74 C ATOM 404 O LEU A 26 8.564 8.638 -2.371 1.00 0.74 O ATOM 405 CB LEU A 26 10.034 7.896 0.035 1.00 1.09 C ATOM 406 CG LEU A 26 11.376 7.425 0.610 1.00 1.55 C ATOM 407 CD1 LEU A 26 12.481 7.543 -0.428 1.00 2.31 C ATOM 408 CD2 LEU A 26 11.733 8.207 1.863 1.00 2.48 C ATOM 0 H LEU A 26 9.656 10.067 1.319 1.00 0.79 H new ATOM 0 HA LEU A 26 10.924 9.411 -1.207 1.00 0.82 H new ATOM 0 HB2 LEU A 26 9.292 7.875 0.833 1.00 1.09 H new ATOM 0 HB3 LEU A 26 9.712 7.178 -0.719 1.00 1.09 H new ATOM 0 HG LEU A 26 11.275 6.374 0.882 1.00 1.55 H new ATOM 0 HD11 LEU A 26 13.423 7.203 0.003 1.00 2.31 H new ATOM 0 HD12 LEU A 26 12.235 6.927 -1.293 1.00 2.31 H new ATOM 0 HD13 LEU A 26 12.579 8.583 -0.739 1.00 2.31 H new ATOM 0 HD21 LEU A 26 12.688 7.855 2.252 1.00 2.48 H new ATOM 0 HD22 LEU A 26 11.808 9.267 1.621 1.00 2.48 H new ATOM 0 HD23 LEU A 26 10.959 8.061 2.616 1.00 2.48 H new ATOM 420 N ASP A 27 8.012 10.481 -1.216 1.00 0.78 N ATOM 421 CA ASP A 27 6.765 10.695 -1.933 1.00 0.89 C ATOM 422 C ASP A 27 7.029 11.155 -3.361 1.00 0.81 C ATOM 423 O ASP A 27 6.413 10.662 -4.301 1.00 0.99 O ATOM 424 CB ASP A 27 5.881 11.706 -1.194 1.00 1.04 C ATOM 425 CG ASP A 27 6.474 13.099 -1.146 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.600 13.250 -0.621 1.00 1.43 O ATOM 427 OD2 ASP A 27 5.810 14.047 -1.615 1.00 2.18 O ATOM 0 H ASP A 27 8.218 11.187 -0.510 1.00 0.78 H new ATOM 0 HA ASP A 27 6.235 9.744 -1.977 1.00 0.89 H new ATOM 0 HB2 ASP A 27 4.907 11.750 -1.681 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.713 11.355 -0.176 1.00 1.04 H new ATOM 432 N TYR A 28 7.968 12.076 -3.529 1.00 0.70 N ATOM 433 CA TYR A 28 8.299 12.579 -4.858 1.00 0.82 C ATOM 434 C TYR A 28 9.099 11.547 -5.645 1.00 0.69 C ATOM 435 O TYR A 28 9.117 11.565 -6.876 1.00 0.83 O ATOM 436 CB TYR A 28 9.097 13.881 -4.761 1.00 1.02 C ATOM 437 CG TYR A 28 8.353 15.016 -4.089 1.00 1.16 C ATOM 438 CD1 TYR A 28 7.145 15.479 -4.597 1.00 1.32 C ATOM 439 CD2 TYR A 28 8.865 15.627 -2.953 1.00 1.24 C ATOM 440 CE1 TYR A 28 6.467 16.519 -3.989 1.00 1.48 C ATOM 441 CE2 TYR A 28 8.195 16.670 -2.341 1.00 1.38 C ATOM 442 CZ TYR A 28 6.998 17.112 -2.863 1.00 1.47 C ATOM 443 OH TYR A 28 6.329 18.153 -2.258 1.00 1.64 O ATOM 0 H TYR A 28 8.511 12.488 -2.770 1.00 0.70 H new ATOM 0 HA TYR A 28 7.363 12.774 -5.381 1.00 0.82 H new ATOM 0 HB2 TYR A 28 10.018 13.689 -4.211 1.00 1.02 H new ATOM 0 HB3 TYR A 28 9.384 14.194 -5.765 1.00 1.02 H new ATOM 0 HD1 TYR A 28 6.729 15.019 -5.481 1.00 1.32 H new ATOM 0 HD2 TYR A 28 9.802 15.282 -2.541 1.00 1.24 H new ATOM 0 HE1 TYR A 28 5.527 16.865 -4.393 1.00 1.48 H new ATOM 0 HE2 TYR A 28 8.607 17.136 -1.458 1.00 1.38 H new ATOM 0 HH TYR A 28 6.836 18.458 -1.477 1.00 1.64 H new ATOM 453 N SER A 29 9.746 10.639 -4.930 1.00 0.52 N ATOM 454 CA SER A 29 10.614 9.654 -5.554 1.00 0.50 C ATOM 455 C SER A 29 9.870 8.353 -5.811 1.00 0.43 C ATOM 456 O SER A 29 10.348 7.494 -6.548 1.00 0.43 O ATOM 457 CB SER A 29 11.818 9.375 -4.660 1.00 0.53 C ATOM 458 OG SER A 29 12.474 10.576 -4.301 1.00 0.61 O ATOM 0 H SER A 29 9.685 10.565 -3.915 1.00 0.52 H new ATOM 0 HA SER A 29 10.949 10.061 -6.508 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.494 8.851 -3.761 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.515 8.717 -5.178 1.00 0.53 H new ATOM 0 HG SER A 29 13.241 10.371 -3.727 1.00 0.61 H new ATOM 464 N ARG A 30 8.692 8.219 -5.215 1.00 0.42 N ATOM 465 CA ARG A 30 7.954 6.959 -5.253 1.00 0.40 C ATOM 466 C ARG A 30 7.682 6.514 -6.692 1.00 0.38 C ATOM 467 O ARG A 30 7.678 5.320 -6.988 1.00 0.39 O ATOM 468 CB ARG A 30 6.641 7.078 -4.471 1.00 0.43 C ATOM 469 CG ARG A 30 6.244 5.797 -3.753 1.00 0.49 C ATOM 470 CD ARG A 30 7.193 5.492 -2.603 1.00 0.73 C ATOM 471 NE ARG A 30 7.074 4.112 -2.129 1.00 1.07 N ATOM 472 CZ ARG A 30 7.591 3.675 -0.980 1.00 1.18 C ATOM 473 NH1 ARG A 30 8.170 4.529 -0.141 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.519 2.388 -0.662 1.00 1.86 N ATOM 0 H ARG A 30 8.226 8.966 -4.699 1.00 0.42 H new ATOM 0 HA ARG A 30 8.574 6.198 -4.780 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.734 7.881 -3.740 1.00 0.43 H new ATOM 0 HB3 ARG A 30 5.843 7.363 -5.157 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.227 5.891 -3.373 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.245 4.966 -4.459 1.00 0.49 H new ATOM 0 HD2 ARG A 30 8.218 5.675 -2.924 1.00 0.73 H new ATOM 0 HD3 ARG A 30 6.990 6.175 -1.778 1.00 0.73 H new ATOM 0 HE ARG A 30 6.566 3.446 -2.711 1.00 1.07 H new ATOM 0 HH11 ARG A 30 8.219 5.520 -0.376 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.565 4.193 0.737 1.00 1.25 H new ATOM 0 HH21 ARG A 30 7.067 1.730 -1.297 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.915 2.057 0.218 1.00 1.86 H new ATOM 488 N ARG A 31 7.501 7.479 -7.589 1.00 0.39 N ATOM 489 CA ARG A 31 7.220 7.173 -8.994 1.00 0.43 C ATOM 490 C ARG A 31 8.451 6.623 -9.734 1.00 0.42 C ATOM 491 O ARG A 31 8.322 6.049 -10.812 1.00 0.51 O ATOM 492 CB ARG A 31 6.625 8.393 -9.733 1.00 0.55 C ATOM 493 CG ARG A 31 7.291 9.746 -9.459 1.00 1.16 C ATOM 494 CD ARG A 31 8.735 9.805 -9.933 1.00 1.92 C ATOM 495 NE ARG A 31 8.854 9.573 -11.371 1.00 2.67 N ATOM 496 CZ ARG A 31 9.965 9.797 -12.071 1.00 3.57 C ATOM 497 NH1 ARG A 31 11.042 10.300 -11.484 1.00 3.96 N ATOM 498 NH2 ARG A 31 10.003 9.525 -13.366 1.00 4.35 N ATOM 0 H ARG A 31 7.543 8.475 -7.373 1.00 0.39 H new ATOM 0 HA ARG A 31 6.470 6.382 -8.994 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.672 8.200 -10.805 1.00 0.55 H new ATOM 0 HB3 ARG A 31 5.570 8.471 -9.469 1.00 0.55 H new ATOM 0 HG2 ARG A 31 6.720 10.532 -9.953 1.00 1.16 H new ATOM 0 HG3 ARG A 31 7.257 9.951 -8.389 1.00 1.16 H new ATOM 0 HD2 ARG A 31 9.156 10.780 -9.688 1.00 1.92 H new ATOM 0 HD3 ARG A 31 9.322 9.060 -9.397 1.00 1.92 H new ATOM 0 HE ARG A 31 8.037 9.218 -11.869 1.00 2.67 H new ATOM 0 HH11 ARG A 31 11.025 10.519 -10.488 1.00 3.96 H new ATOM 0 HH12 ARG A 31 11.888 10.468 -12.028 1.00 3.96 H new ATOM 0 HH21 ARG A 31 9.180 9.143 -13.831 1.00 4.35 H new ATOM 0 HH22 ARG A 31 10.856 9.698 -13.899 1.00 4.35 H new ATOM 512 N PHE A 32 9.638 6.793 -9.157 1.00 0.39 N ATOM 513 CA PHE A 32 10.857 6.243 -9.749 1.00 0.42 C ATOM 514 C PHE A 32 11.355 5.088 -8.890 1.00 0.40 C ATOM 515 O PHE A 32 12.324 4.402 -9.224 1.00 0.47 O ATOM 516 CB PHE A 32 11.926 7.347 -9.921 1.00 0.53 C ATOM 517 CG PHE A 32 13.120 7.247 -9.006 1.00 1.08 C ATOM 518 CD1 PHE A 32 13.067 7.734 -7.710 1.00 1.15 C ATOM 519 CD2 PHE A 32 14.300 6.667 -9.448 1.00 2.08 C ATOM 520 CE1 PHE A 32 14.163 7.641 -6.874 1.00 2.18 C ATOM 521 CE2 PHE A 32 15.398 6.572 -8.616 1.00 3.15 C ATOM 522 CZ PHE A 32 15.329 7.059 -7.327 1.00 3.19 C ATOM 0 H PHE A 32 9.783 7.304 -8.286 1.00 0.39 H new ATOM 0 HA PHE A 32 10.642 5.857 -10.746 1.00 0.42 H new ATOM 0 HB2 PHE A 32 12.279 7.328 -10.952 1.00 0.53 H new ATOM 0 HB3 PHE A 32 11.451 8.315 -9.764 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.158 8.192 -7.349 1.00 1.15 H new ATOM 0 HD2 PHE A 32 14.361 6.285 -10.456 1.00 2.08 H new ATOM 0 HE1 PHE A 32 14.107 8.024 -5.866 1.00 2.18 H new ATOM 0 HE2 PHE A 32 16.310 6.117 -8.974 1.00 3.15 H new ATOM 0 HZ PHE A 32 16.186 6.985 -6.674 1.00 3.19 H new ATOM 532 N LEU A 33 10.661 4.864 -7.787 1.00 0.34 N ATOM 533 CA LEU A 33 10.885 3.683 -6.980 1.00 0.34 C ATOM 534 C LEU A 33 10.102 2.524 -7.582 1.00 0.32 C ATOM 535 O LEU A 33 10.375 1.360 -7.295 1.00 0.37 O ATOM 536 CB LEU A 33 10.473 3.931 -5.528 1.00 0.34 C ATOM 537 CG LEU A 33 11.253 5.041 -4.815 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.755 5.213 -3.389 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.744 4.737 -4.820 1.00 0.47 C ATOM 0 H LEU A 33 9.937 5.488 -7.432 1.00 0.34 H new ATOM 0 HA LEU A 33 11.947 3.438 -6.976 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.412 4.180 -5.504 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.595 3.004 -4.968 1.00 0.34 H new ATOM 0 HG LEU A 33 11.088 5.973 -5.355 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.321 6.005 -2.899 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.698 5.477 -3.402 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.889 4.280 -2.842 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.280 5.537 -4.309 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.925 3.793 -4.306 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.097 4.663 -5.849 1.00 0.47 H new ATOM 551 N GLU A 34 9.126 2.867 -8.428 1.00 0.30 N ATOM 552 CA GLU A 34 8.382 1.880 -9.209 1.00 0.29 C ATOM 553 C GLU A 34 9.286 0.848 -9.881 1.00 0.32 C ATOM 554 O GLU A 34 9.056 -0.345 -9.730 1.00 0.32 O ATOM 555 CB GLU A 34 7.540 2.551 -10.285 1.00 0.31 C ATOM 556 CG GLU A 34 6.156 2.922 -9.830 1.00 0.35 C ATOM 557 CD GLU A 34 5.252 3.256 -10.993 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.317 4.393 -11.500 1.00 0.67 O ATOM 559 OE2 GLU A 34 4.488 2.364 -11.421 1.00 0.82 O ATOM 0 H GLU A 34 8.832 3.831 -8.589 1.00 0.30 H new ATOM 0 HA GLU A 34 7.742 1.365 -8.493 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.053 3.450 -10.627 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.463 1.883 -11.143 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.727 2.097 -9.262 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.212 3.777 -9.156 1.00 0.35 H new ATOM 566 N PRO A 35 10.313 1.273 -10.651 1.00 0.35 N ATOM 567 CA PRO A 35 11.215 0.335 -11.317 1.00 0.37 C ATOM 568 C PRO A 35 11.853 -0.673 -10.354 1.00 0.36 C ATOM 569 O PRO A 35 12.191 -1.791 -10.745 1.00 0.38 O ATOM 570 CB PRO A 35 12.289 1.233 -11.929 1.00 0.45 C ATOM 571 CG PRO A 35 11.613 2.539 -12.129 1.00 0.51 C ATOM 572 CD PRO A 35 10.636 2.670 -10.997 1.00 0.38 C ATOM 0 HA PRO A 35 10.680 -0.275 -12.045 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.150 1.329 -11.268 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.655 0.827 -12.872 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.333 3.357 -12.121 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.103 2.572 -13.092 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.072 3.202 -10.151 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.747 3.224 -11.298 1.00 0.38 H new ATOM 580 N PHE A 36 12.010 -0.267 -9.096 1.00 0.35 N ATOM 581 CA PHE A 36 12.602 -1.123 -8.072 1.00 0.38 C ATOM 582 C PHE A 36 11.537 -2.029 -7.450 1.00 0.34 C ATOM 583 O PHE A 36 11.845 -3.068 -6.871 1.00 0.43 O ATOM 584 CB PHE A 36 13.272 -0.252 -6.998 1.00 0.46 C ATOM 585 CG PHE A 36 14.080 -1.016 -5.981 1.00 0.52 C ATOM 586 CD1 PHE A 36 15.015 -1.958 -6.383 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.908 -0.783 -4.625 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.762 -2.653 -5.452 1.00 0.69 C ATOM 589 CE2 PHE A 36 14.654 -1.475 -3.690 1.00 0.72 C ATOM 590 CZ PHE A 36 15.582 -2.412 -4.105 1.00 0.70 C ATOM 0 H PHE A 36 11.733 0.656 -8.760 1.00 0.35 H new ATOM 0 HA PHE A 36 13.358 -1.760 -8.531 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.923 0.471 -7.490 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.501 0.316 -6.477 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.161 -2.150 -7.436 1.00 0.62 H new ATOM 0 HD2 PHE A 36 13.183 -0.053 -4.296 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.487 -3.385 -5.778 1.00 0.69 H new ATOM 0 HE2 PHE A 36 14.512 -1.284 -2.636 1.00 0.72 H new ATOM 0 HZ PHE A 36 16.165 -2.955 -3.376 1.00 0.70 H new ATOM 600 N LEU A 37 10.285 -1.621 -7.591 1.00 0.27 N ATOM 601 CA LEU A 37 9.154 -2.322 -6.985 1.00 0.26 C ATOM 602 C LEU A 37 8.376 -3.115 -8.033 1.00 0.25 C ATOM 603 O LEU A 37 7.378 -3.762 -7.726 1.00 0.30 O ATOM 604 CB LEU A 37 8.215 -1.303 -6.325 1.00 0.30 C ATOM 605 CG LEU A 37 8.593 -0.819 -4.915 1.00 0.39 C ATOM 606 CD1 LEU A 37 10.090 -0.584 -4.763 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.841 0.460 -4.606 1.00 0.99 C ATOM 0 H LEU A 37 10.020 -0.795 -8.128 1.00 0.27 H new ATOM 0 HA LEU A 37 9.541 -3.016 -6.239 1.00 0.26 H new ATOM 0 HB2 LEU A 37 8.149 -0.431 -6.976 1.00 0.30 H new ATOM 0 HB3 LEU A 37 7.218 -1.742 -6.277 1.00 0.30 H new ATOM 0 HG LEU A 37 8.316 -1.604 -4.211 1.00 0.39 H new ATOM 0 HD11 LEU A 37 10.304 -0.243 -3.750 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.626 -1.514 -4.954 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.414 0.174 -5.476 1.00 0.68 H new ATOM 0 HD21 LEU A 37 8.107 0.806 -3.607 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.106 1.224 -5.337 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.768 0.271 -4.651 1.00 0.99 H new ATOM 619 N ARG A 38 8.838 -3.054 -9.270 1.00 0.24 N ATOM 620 CA ARG A 38 8.111 -3.633 -10.392 1.00 0.27 C ATOM 621 C ARG A 38 8.229 -5.157 -10.410 1.00 0.25 C ATOM 622 O ARG A 38 9.307 -5.705 -10.630 1.00 0.36 O ATOM 623 CB ARG A 38 8.629 -3.035 -11.701 1.00 0.33 C ATOM 624 CG ARG A 38 7.772 -3.356 -12.913 1.00 1.01 C ATOM 625 CD ARG A 38 8.249 -2.594 -14.139 1.00 1.12 C ATOM 626 NE ARG A 38 8.172 -1.143 -13.949 1.00 1.86 N ATOM 627 CZ ARG A 38 9.052 -0.276 -14.446 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.079 -0.706 -15.172 1.00 2.26 N ATOM 629 NH2 ARG A 38 8.908 1.023 -14.218 1.00 3.39 N ATOM 0 H ARG A 38 9.718 -2.607 -9.526 1.00 0.24 H new ATOM 0 HA ARG A 38 7.054 -3.392 -10.279 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.694 -1.952 -11.592 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.641 -3.399 -11.879 1.00 0.33 H new ATOM 0 HG2 ARG A 38 7.805 -4.427 -13.112 1.00 1.01 H new ATOM 0 HG3 ARG A 38 6.733 -3.102 -12.705 1.00 1.01 H new ATOM 0 HD2 ARG A 38 9.278 -2.876 -14.363 1.00 1.12 H new ATOM 0 HD3 ARG A 38 7.645 -2.879 -15.001 1.00 1.12 H new ATOM 0 HE ARG A 38 7.395 -0.774 -13.401 1.00 1.86 H new ATOM 0 HH11 ARG A 38 10.195 -1.704 -15.350 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.751 -0.038 -15.551 1.00 2.26 H new ATOM 0 HH21 ARG A 38 8.122 1.359 -13.661 1.00 3.39 H new ATOM 0 HH22 ARG A 38 9.583 1.686 -14.599 1.00 3.39 H new ATOM 643 N GLY A 39 7.107 -5.826 -10.170 1.00 0.19 N ATOM 644 CA GLY A 39 7.071 -7.276 -10.196 1.00 0.23 C ATOM 645 C GLY A 39 7.519 -7.888 -8.889 1.00 0.22 C ATOM 646 O GLY A 39 8.349 -8.796 -8.872 1.00 0.30 O ATOM 0 H GLY A 39 6.213 -5.384 -9.956 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.057 -7.607 -10.420 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.710 -7.638 -11.001 1.00 0.23 H new ATOM 650 N ILE A 40 6.974 -7.394 -7.788 1.00 0.18 N ATOM 651 CA ILE A 40 7.293 -7.950 -6.470 1.00 0.19 C ATOM 652 C ILE A 40 6.053 -8.591 -5.865 1.00 0.20 C ATOM 653 O ILE A 40 4.968 -8.448 -6.405 1.00 0.23 O ATOM 654 CB ILE A 40 7.852 -6.888 -5.493 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.843 -5.755 -5.297 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.187 -6.346 -5.990 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.262 -4.728 -4.267 1.00 0.20 C ATOM 0 H ILE A 40 6.314 -6.616 -7.774 1.00 0.18 H new ATOM 0 HA ILE A 40 8.072 -8.697 -6.620 1.00 0.19 H new ATOM 0 HB ILE A 40 8.021 -7.365 -4.528 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.686 -5.253 -6.252 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.885 -6.183 -5.000 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.561 -5.601 -5.288 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.904 -7.163 -6.069 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.051 -5.886 -6.969 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.494 -3.959 -4.187 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.391 -5.214 -3.300 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.203 -4.271 -4.571 1.00 0.20 H new ATOM 669 N ASN A 41 6.200 -9.301 -4.759 1.00 0.25 N ATOM 670 CA ASN A 41 5.049 -9.932 -4.117 1.00 0.25 C ATOM 671 C ASN A 41 4.888 -9.378 -2.712 1.00 0.25 C ATOM 672 O ASN A 41 5.795 -9.494 -1.886 1.00 0.38 O ATOM 673 CB ASN A 41 5.214 -11.457 -4.039 1.00 0.39 C ATOM 674 CG ASN A 41 5.500 -12.120 -5.377 1.00 1.43 C ATOM 675 OD1 ASN A 41 5.063 -11.659 -6.432 1.00 2.29 O ATOM 676 ND2 ASN A 41 6.241 -13.217 -5.336 1.00 2.16 N ATOM 0 H ASN A 41 7.091 -9.456 -4.288 1.00 0.25 H new ATOM 0 HA ASN A 41 4.166 -9.712 -4.717 1.00 0.25 H new ATOM 0 HB2 ASN A 41 6.026 -11.689 -3.350 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.306 -11.889 -3.618 1.00 0.39 H new ATOM 0 HD21 ASN A 41 6.468 -13.711 -6.199 1.00 2.16 H new ATOM 0 HD22 ASN A 41 6.584 -13.567 -4.442 1.00 2.16 H new ATOM 683 N VAL A 42 3.743 -8.790 -2.424 1.00 0.19 N ATOM 684 CA VAL A 42 3.539 -8.174 -1.127 1.00 0.20 C ATOM 685 C VAL A 42 2.359 -8.793 -0.397 1.00 0.18 C ATOM 686 O VAL A 42 1.300 -9.026 -0.977 1.00 0.19 O ATOM 687 CB VAL A 42 3.335 -6.643 -1.236 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.606 -5.962 -1.724 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.165 -6.314 -2.154 1.00 0.27 C ATOM 0 H VAL A 42 2.949 -8.726 -3.061 1.00 0.19 H new ATOM 0 HA VAL A 42 4.448 -8.359 -0.554 1.00 0.20 H new ATOM 0 HB VAL A 42 3.103 -6.263 -0.241 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.439 -4.887 -1.793 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.417 -6.159 -1.023 1.00 0.31 H new ATOM 0 HG13 VAL A 42 4.873 -6.351 -2.706 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.042 -5.233 -2.214 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.360 -6.713 -3.149 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.254 -6.761 -1.756 1.00 0.27 H new ATOM 699 N VAL A 43 2.565 -9.075 0.873 1.00 0.18 N ATOM 700 CA VAL A 43 1.499 -9.529 1.736 1.00 0.18 C ATOM 701 C VAL A 43 0.787 -8.316 2.302 1.00 0.19 C ATOM 702 O VAL A 43 1.325 -7.611 3.155 1.00 0.29 O ATOM 703 CB VAL A 43 2.026 -10.397 2.898 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.873 -10.993 3.692 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.948 -11.490 2.382 1.00 0.70 C ATOM 0 H VAL A 43 3.472 -8.996 1.332 1.00 0.18 H new ATOM 0 HA VAL A 43 0.819 -10.144 1.146 1.00 0.18 H new ATOM 0 HB VAL A 43 2.602 -9.756 3.565 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.268 -11.601 4.506 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.261 -10.190 4.103 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.263 -11.615 3.037 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.307 -12.089 3.219 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.402 -12.128 1.687 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.797 -11.038 1.869 1.00 0.70 H new ATOM 715 N TYR A 44 -0.396 -8.049 1.789 1.00 0.15 N ATOM 716 CA TYR A 44 -1.177 -6.919 2.246 1.00 0.19 C ATOM 717 C TYR A 44 -1.897 -7.274 3.537 1.00 0.21 C ATOM 718 O TYR A 44 -2.819 -8.093 3.541 1.00 0.29 O ATOM 719 CB TYR A 44 -2.174 -6.494 1.165 1.00 0.24 C ATOM 720 CG TYR A 44 -3.202 -5.493 1.644 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.807 -4.254 2.121 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.560 -5.785 1.611 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.735 -3.327 2.554 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.497 -4.863 2.040 1.00 0.44 C ATOM 725 CZ TYR A 44 -5.104 -3.675 2.539 1.00 0.42 C ATOM 726 OH TYR A 44 -6.008 -2.712 2.939 1.00 0.50 O ATOM 0 H TYR A 44 -0.838 -8.601 1.054 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.510 -6.080 2.443 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.626 -6.065 0.326 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.689 -7.379 0.790 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.756 -4.009 2.155 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.889 -6.746 1.245 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.419 -2.353 2.898 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.549 -5.097 1.975 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.533 -1.875 3.126 1.00 0.50 H new ATOM 736 N THR A 45 -1.456 -6.673 4.630 1.00 0.23 N ATOM 737 CA THR A 45 -2.059 -6.908 5.929 1.00 0.29 C ATOM 738 C THR A 45 -2.974 -5.752 6.316 1.00 0.27 C ATOM 739 O THR A 45 -2.506 -4.673 6.685 1.00 0.30 O ATOM 740 CB THR A 45 -0.981 -7.109 7.013 1.00 0.39 C ATOM 741 OG1 THR A 45 0.000 -6.063 6.936 1.00 1.25 O ATOM 742 CG2 THR A 45 -0.303 -8.461 6.854 1.00 1.13 C ATOM 0 H THR A 45 -0.677 -6.015 4.641 1.00 0.23 H new ATOM 0 HA THR A 45 -2.652 -7.820 5.858 1.00 0.29 H new ATOM 0 HB THR A 45 -1.467 -7.075 7.988 1.00 0.39 H new ATOM 0 HG1 THR A 45 -0.450 -5.193 6.918 1.00 1.25 H new ATOM 0 HG21 THR A 45 0.454 -8.582 7.629 1.00 1.13 H new ATOM 0 HG22 THR A 45 -1.046 -9.254 6.945 1.00 1.13 H new ATOM 0 HG23 THR A 45 0.169 -8.518 5.873 1.00 1.13 H new ATOM 750 N PRO A 46 -4.294 -5.960 6.217 1.00 0.30 N ATOM 751 CA PRO A 46 -5.288 -4.947 6.572 1.00 0.33 C ATOM 752 C PRO A 46 -5.366 -4.735 8.077 1.00 0.32 C ATOM 753 O PRO A 46 -5.316 -5.694 8.850 1.00 0.35 O ATOM 754 CB PRO A 46 -6.612 -5.529 6.054 1.00 0.40 C ATOM 755 CG PRO A 46 -6.234 -6.694 5.199 1.00 0.43 C ATOM 756 CD PRO A 46 -4.931 -7.193 5.743 1.00 0.38 C ATOM 0 HA PRO A 46 -5.044 -3.974 6.145 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -7.252 -5.840 6.879 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.168 -4.787 5.481 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.997 -7.471 5.237 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.134 -6.397 4.155 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -5.076 -7.911 6.550 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.335 -7.690 4.978 1.00 0.38 H new ATOM 764 N PRO A 47 -5.465 -3.469 8.510 1.00 0.33 N ATOM 765 CA PRO A 47 -5.649 -3.131 9.921 1.00 0.37 C ATOM 766 C PRO A 47 -6.869 -3.835 10.507 1.00 0.40 C ATOM 767 O PRO A 47 -7.906 -3.955 9.852 1.00 0.41 O ATOM 768 CB PRO A 47 -5.845 -1.611 9.906 1.00 0.37 C ATOM 769 CG PRO A 47 -5.188 -1.158 8.648 1.00 0.48 C ATOM 770 CD PRO A 47 -5.384 -2.271 7.658 1.00 0.35 C ATOM 0 HA PRO A 47 -4.808 -3.445 10.540 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.903 -1.348 9.917 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -5.391 -1.144 10.780 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.633 -0.231 8.287 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -4.128 -0.961 8.810 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.292 -2.132 7.071 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.555 -2.334 6.953 1.00 0.35 H new ATOM 778 N GLN A 48 -6.730 -4.292 11.748 1.00 0.52 N ATOM 779 CA GLN A 48 -7.730 -5.137 12.406 1.00 0.63 C ATOM 780 C GLN A 48 -9.126 -4.513 12.433 1.00 0.57 C ATOM 781 O GLN A 48 -10.118 -5.228 12.553 1.00 0.68 O ATOM 782 CB GLN A 48 -7.283 -5.468 13.830 1.00 0.83 C ATOM 783 CG GLN A 48 -7.099 -4.252 14.721 1.00 0.89 C ATOM 784 CD GLN A 48 -6.643 -4.620 16.119 1.00 1.22 C ATOM 785 OE1 GLN A 48 -5.942 -5.614 16.316 1.00 1.54 O ATOM 786 NE2 GLN A 48 -7.042 -3.828 17.100 1.00 1.92 N ATOM 0 H GLN A 48 -5.918 -4.088 12.331 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.804 -6.048 11.813 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -8.019 -6.131 14.285 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -6.343 -6.018 13.786 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -6.368 -3.582 14.269 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -8.039 -3.704 14.782 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.622 -3.014 16.895 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -6.770 -4.031 18.062 1.00 1.92 H new ATOM 795 N SER A 49 -9.203 -3.191 12.310 1.00 0.49 N ATOM 796 CA SER A 49 -10.488 -2.497 12.312 1.00 0.51 C ATOM 797 C SER A 49 -11.286 -2.843 11.051 1.00 0.51 C ATOM 798 O SER A 49 -12.508 -2.703 11.016 1.00 0.59 O ATOM 799 CB SER A 49 -10.269 -0.983 12.412 1.00 0.56 C ATOM 800 OG SER A 49 -11.496 -0.286 12.566 1.00 1.58 O ATOM 0 H SER A 49 -8.393 -2.580 12.208 1.00 0.49 H new ATOM 0 HA SER A 49 -11.061 -2.824 13.179 1.00 0.51 H new ATOM 0 HB2 SER A 49 -9.617 -0.764 13.258 1.00 0.56 H new ATOM 0 HB3 SER A 49 -9.759 -0.629 11.516 1.00 0.56 H new ATOM 0 HG SER A 49 -11.541 0.445 11.915 1.00 1.58 H new ATOM 806 N PHE A 50 -10.582 -3.310 10.023 1.00 0.47 N ATOM 807 CA PHE A 50 -11.215 -3.714 8.772 1.00 0.51 C ATOM 808 C PHE A 50 -11.807 -5.108 8.894 1.00 0.58 C ATOM 809 O PHE A 50 -12.776 -5.448 8.216 1.00 0.67 O ATOM 810 CB PHE A 50 -10.203 -3.713 7.625 1.00 0.49 C ATOM 811 CG PHE A 50 -9.708 -2.354 7.227 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.986 -1.584 8.120 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.975 -1.843 5.968 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.539 -0.326 7.765 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.529 -0.590 5.607 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.777 0.149 6.475 1.00 0.65 C ATOM 0 H PHE A 50 -9.568 -3.418 10.033 1.00 0.47 H new ATOM 0 HA PHE A 50 -12.007 -2.996 8.561 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -9.349 -4.326 7.912 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -10.659 -4.188 6.756 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.769 -1.970 9.105 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -10.539 -2.433 5.261 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -8.009 0.285 8.481 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.775 -0.191 4.634 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.368 1.099 6.164 1.00 0.65 H new ATOM 826 N GLN A 51 -11.191 -5.907 9.771 1.00 0.58 N ATOM 827 CA GLN A 51 -11.550 -7.311 9.956 1.00 0.67 C ATOM 828 C GLN A 51 -11.322 -8.100 8.669 1.00 0.65 C ATOM 829 O GLN A 51 -11.890 -9.176 8.472 1.00 0.88 O ATOM 830 CB GLN A 51 -13.001 -7.444 10.425 1.00 0.82 C ATOM 831 CG GLN A 51 -13.262 -6.771 11.762 1.00 0.94 C ATOM 832 CD GLN A 51 -14.709 -6.871 12.204 1.00 1.28 C ATOM 833 OE1 GLN A 51 -15.380 -7.941 11.810 1.00 1.77 O flip ATOM 834 NE2 GLN A 51 -15.217 -5.994 12.902 1.00 1.99 N flip ATOM 0 H GLN A 51 -10.428 -5.595 10.372 1.00 0.58 H new ATOM 0 HA GLN A 51 -10.905 -7.728 10.730 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -13.660 -7.011 9.673 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -13.256 -8.501 10.502 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -12.624 -7.224 12.521 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -12.980 -5.720 11.695 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -14.665 -5.184 13.185 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -16.190 -6.077 13.198 1.00 1.99 H new ATOM 843 N SER A 52 -10.470 -7.558 7.807 1.00 0.51 N ATOM 844 CA SER A 52 -10.176 -8.170 6.524 1.00 0.51 C ATOM 845 C SER A 52 -8.964 -9.094 6.639 1.00 0.43 C ATOM 846 O SER A 52 -8.049 -8.837 7.425 1.00 0.44 O ATOM 847 CB SER A 52 -9.920 -7.080 5.484 1.00 0.53 C ATOM 848 OG SER A 52 -10.971 -6.126 5.496 1.00 1.35 O ATOM 0 H SER A 52 -9.968 -6.687 7.979 1.00 0.51 H new ATOM 0 HA SER A 52 -11.031 -8.768 6.210 1.00 0.51 H new ATOM 0 HB2 SER A 52 -8.970 -6.587 5.692 1.00 0.53 H new ATOM 0 HB3 SER A 52 -9.837 -7.527 4.493 1.00 0.53 H new ATOM 0 HG SER A 52 -10.792 -5.434 4.826 1.00 1.35 H new ATOM 854 N ALA A 53 -8.972 -10.168 5.864 1.00 0.46 N ATOM 855 CA ALA A 53 -7.894 -11.146 5.883 1.00 0.43 C ATOM 856 C ALA A 53 -6.735 -10.688 5.004 1.00 0.36 C ATOM 857 O ALA A 53 -6.947 -10.082 3.953 1.00 0.38 O ATOM 858 CB ALA A 53 -8.413 -12.497 5.415 1.00 0.50 C ATOM 0 H ALA A 53 -9.722 -10.386 5.207 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.527 -11.242 6.905 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.601 -13.224 5.432 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -9.212 -12.829 6.078 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.799 -12.407 4.399 1.00 0.50 H new ATOM 864 N PRO A 54 -5.489 -10.958 5.437 1.00 0.33 N ATOM 865 CA PRO A 54 -4.291 -10.595 4.677 1.00 0.30 C ATOM 866 C PRO A 54 -4.181 -11.381 3.378 1.00 0.28 C ATOM 867 O PRO A 54 -4.385 -12.597 3.356 1.00 0.29 O ATOM 868 CB PRO A 54 -3.136 -10.951 5.619 1.00 0.35 C ATOM 869 CG PRO A 54 -3.696 -11.977 6.542 1.00 0.56 C ATOM 870 CD PRO A 54 -5.153 -11.638 6.701 1.00 0.39 C ATOM 0 HA PRO A 54 -4.299 -9.546 4.382 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.281 -11.341 5.066 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.788 -10.075 6.166 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.571 -12.980 6.133 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.183 -11.958 7.504 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.759 -12.532 6.849 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.323 -10.991 7.562 1.00 0.39 H new ATOM 878 N ARG A 55 -3.855 -10.683 2.302 1.00 0.27 N ATOM 879 CA ARG A 55 -3.773 -11.300 0.988 1.00 0.30 C ATOM 880 C ARG A 55 -2.505 -10.860 0.268 1.00 0.24 C ATOM 881 O ARG A 55 -2.149 -9.682 0.280 1.00 0.20 O ATOM 882 CB ARG A 55 -5.006 -10.929 0.161 1.00 0.41 C ATOM 883 CG ARG A 55 -5.037 -11.552 -1.226 1.00 0.52 C ATOM 884 CD ARG A 55 -5.087 -13.066 -1.158 1.00 0.82 C ATOM 885 NE ARG A 55 -5.297 -13.666 -2.473 1.00 1.64 N ATOM 886 CZ ARG A 55 -5.263 -14.976 -2.709 1.00 2.46 C ATOM 887 NH1 ARG A 55 -4.980 -15.821 -1.722 1.00 2.66 N ATOM 888 NH2 ARG A 55 -5.515 -15.437 -3.931 1.00 3.34 N ATOM 0 H ARG A 55 -3.642 -9.686 2.313 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.739 -12.382 1.112 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.900 -11.235 0.705 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -5.050 -9.844 0.061 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -5.905 -11.183 -1.772 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.154 -11.241 -1.785 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -4.156 -13.441 -0.733 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -5.890 -13.373 -0.487 1.00 0.82 H new ATOM 0 HE ARG A 55 -5.481 -13.043 -3.259 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -4.789 -15.465 -0.785 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -4.954 -16.825 -1.902 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -5.734 -14.787 -4.686 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -5.489 -16.440 -4.113 1.00 3.34 H new ATOM 902 N VAL A 56 -1.819 -11.816 -0.339 1.00 0.27 N ATOM 903 CA VAL A 56 -0.612 -11.523 -1.095 1.00 0.25 C ATOM 904 C VAL A 56 -0.966 -11.103 -2.520 1.00 0.25 C ATOM 905 O VAL A 56 -1.793 -11.735 -3.175 1.00 0.31 O ATOM 906 CB VAL A 56 0.339 -12.742 -1.143 1.00 0.32 C ATOM 907 CG1 VAL A 56 1.644 -12.392 -1.843 1.00 1.22 C ATOM 908 CG2 VAL A 56 0.610 -13.270 0.257 1.00 1.18 C ATOM 0 H VAL A 56 -2.078 -12.802 -0.323 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.101 -10.706 -0.587 1.00 0.25 H new ATOM 0 HB VAL A 56 -0.153 -13.526 -1.718 1.00 0.32 H new ATOM 0 HG11 VAL A 56 2.293 -13.268 -1.862 1.00 1.22 H new ATOM 0 HG12 VAL A 56 1.435 -12.073 -2.864 1.00 1.22 H new ATOM 0 HG13 VAL A 56 2.140 -11.584 -1.305 1.00 1.22 H new ATOM 0 HG21 VAL A 56 1.281 -14.127 0.199 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.072 -12.487 0.858 1.00 1.18 H new ATOM 0 HG23 VAL A 56 -0.329 -13.575 0.719 1.00 1.18 H new ATOM 918 N TYR A 57 -0.340 -10.032 -2.984 1.00 0.20 N ATOM 919 CA TYR A 57 -0.571 -9.521 -4.325 1.00 0.20 C ATOM 920 C TYR A 57 0.758 -9.231 -4.999 1.00 0.19 C ATOM 921 O TYR A 57 1.716 -8.836 -4.334 1.00 0.21 O ATOM 922 CB TYR A 57 -1.401 -8.236 -4.282 1.00 0.20 C ATOM 923 CG TYR A 57 -2.842 -8.439 -3.877 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.772 -8.930 -4.784 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.276 -8.130 -2.594 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.092 -9.107 -4.424 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.594 -8.303 -2.229 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.498 -8.792 -3.147 1.00 0.46 C ATOM 929 OH TYR A 57 -6.811 -8.968 -2.785 1.00 0.57 O ATOM 0 H TYR A 57 0.339 -9.496 -2.444 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.118 -10.277 -4.889 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.935 -7.540 -3.585 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.375 -7.768 -5.266 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.457 -9.177 -5.787 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.570 -7.748 -1.871 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.803 -9.491 -5.140 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.917 -8.056 -1.228 1.00 0.45 H new ATOM 0 HH TYR A 57 -6.931 -8.700 -1.850 1.00 0.57 H new ATOM 939 N ARG A 58 0.831 -9.432 -6.308 1.00 0.23 N ATOM 940 CA ARG A 58 2.030 -9.066 -7.037 1.00 0.27 C ATOM 941 C ARG A 58 1.930 -7.619 -7.483 1.00 0.25 C ATOM 942 O ARG A 58 0.947 -7.211 -8.105 1.00 0.37 O ATOM 943 CB ARG A 58 2.281 -9.973 -8.246 1.00 0.40 C ATOM 944 CG ARG A 58 3.652 -9.742 -8.874 1.00 0.57 C ATOM 945 CD ARG A 58 3.943 -10.708 -10.007 1.00 1.11 C ATOM 946 NE ARG A 58 5.361 -10.714 -10.365 1.00 1.96 N ATOM 947 CZ ARG A 58 5.815 -10.860 -11.610 1.00 2.71 C ATOM 948 NH1 ARG A 58 4.963 -10.936 -12.624 1.00 2.90 N ATOM 949 NH2 ARG A 58 7.121 -10.933 -11.840 1.00 3.71 N ATOM 0 H ARG A 58 0.087 -9.839 -6.875 1.00 0.23 H new ATOM 0 HA ARG A 58 2.877 -9.193 -6.363 1.00 0.27 H new ATOM 0 HB2 ARG A 58 2.197 -11.015 -7.938 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.508 -9.798 -8.994 1.00 0.40 H new ATOM 0 HG2 ARG A 58 3.709 -8.720 -9.249 1.00 0.57 H new ATOM 0 HG3 ARG A 58 4.421 -9.844 -8.108 1.00 0.57 H new ATOM 0 HD2 ARG A 58 3.638 -11.713 -9.715 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.349 -10.435 -10.879 1.00 1.11 H new ATOM 0 HE ARG A 58 6.044 -10.599 -9.616 1.00 1.96 H new ATOM 0 HH11 ARG A 58 3.959 -10.883 -12.452 1.00 2.90 H new ATOM 0 HH12 ARG A 58 5.312 -11.048 -13.576 1.00 2.90 H new ATOM 0 HH21 ARG A 58 7.780 -10.877 -11.063 1.00 3.71 H new ATOM 0 HH22 ARG A 58 7.465 -11.045 -12.794 1.00 3.71 H new ATOM 963 N VAL A 59 2.940 -6.849 -7.133 1.00 0.19 N ATOM 964 CA VAL A 59 3.005 -5.453 -7.494 1.00 0.17 C ATOM 965 C VAL A 59 3.411 -5.299 -8.941 1.00 0.17 C ATOM 966 O VAL A 59 4.518 -5.692 -9.328 1.00 0.18 O ATOM 967 CB VAL A 59 4.019 -4.698 -6.616 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.184 -3.265 -7.082 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.590 -4.727 -5.166 1.00 0.20 C ATOM 0 H VAL A 59 3.739 -7.177 -6.590 1.00 0.19 H new ATOM 0 HA VAL A 59 2.012 -5.031 -7.340 1.00 0.17 H new ATOM 0 HB VAL A 59 4.981 -5.201 -6.709 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.906 -2.756 -6.444 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.541 -3.256 -8.112 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.224 -2.751 -7.026 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.319 -4.188 -4.560 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.614 -4.253 -5.066 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.528 -5.761 -4.825 1.00 0.20 H new ATOM 979 N ASN A 60 2.502 -4.731 -9.720 1.00 0.17 N ATOM 980 CA ASN A 60 2.777 -4.349 -11.095 1.00 0.18 C ATOM 981 C ASN A 60 3.522 -3.023 -11.084 1.00 0.18 C ATOM 982 O ASN A 60 4.382 -2.758 -11.924 1.00 0.21 O ATOM 983 CB ASN A 60 1.457 -4.227 -11.870 1.00 0.23 C ATOM 984 CG ASN A 60 1.627 -3.742 -13.303 1.00 1.14 C ATOM 985 OD1 ASN A 60 0.774 -3.019 -13.822 1.00 2.02 O ATOM 986 ND2 ASN A 60 2.700 -4.150 -13.964 1.00 1.61 N ATOM 0 H ASN A 60 1.551 -4.522 -9.415 1.00 0.17 H new ATOM 0 HA ASN A 60 3.390 -5.104 -11.587 1.00 0.18 H new ATOM 0 HB2 ASN A 60 0.962 -5.198 -11.882 1.00 0.23 H new ATOM 0 HB3 ASN A 60 0.798 -3.540 -11.340 1.00 0.23 H new ATOM 0 HD21 ASN A 60 2.840 -3.866 -14.934 1.00 1.61 H new ATOM 0 HD22 ASN A 60 3.386 -4.748 -13.503 1.00 1.61 H new ATOM 993 N GLY A 61 3.184 -2.200 -10.100 1.00 0.18 N ATOM 994 CA GLY A 61 3.872 -0.946 -9.905 1.00 0.23 C ATOM 995 C GLY A 61 3.117 -0.033 -8.971 1.00 0.21 C ATOM 996 O GLY A 61 2.549 -0.487 -7.978 1.00 0.21 O ATOM 0 H GLY A 61 2.438 -2.384 -9.429 1.00 0.18 H new ATOM 0 HA2 GLY A 61 4.867 -1.136 -9.502 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.006 -0.452 -10.867 1.00 0.23 H new ATOM 1000 N LEU A 62 3.093 1.246 -9.289 1.00 0.25 N ATOM 1001 CA LEU A 62 2.425 2.222 -8.450 1.00 0.28 C ATOM 1002 C LEU A 62 1.465 3.073 -9.253 1.00 0.32 C ATOM 1003 O LEU A 62 1.549 3.152 -10.481 1.00 0.33 O ATOM 1004 CB LEU A 62 3.441 3.133 -7.770 1.00 0.32 C ATOM 1005 CG LEU A 62 4.313 2.478 -6.708 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.111 3.538 -5.993 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.471 1.695 -5.718 1.00 0.35 C ATOM 0 H LEU A 62 3.530 1.635 -10.125 1.00 0.25 H new ATOM 0 HA LEU A 62 1.865 1.669 -7.696 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.091 3.556 -8.536 1.00 0.32 H new ATOM 0 HB3 LEU A 62 2.905 3.964 -7.311 1.00 0.32 H new ATOM 0 HG LEU A 62 4.992 1.778 -7.195 1.00 0.34 H new ATOM 0 HD11 LEU A 62 5.736 3.071 -5.232 1.00 0.42 H new ATOM 0 HD12 LEU A 62 5.743 4.063 -6.710 1.00 0.42 H new ATOM 0 HD13 LEU A 62 4.432 4.247 -5.520 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.119 1.238 -4.971 1.00 0.35 H new ATOM 0 HD22 LEU A 62 2.768 2.368 -5.226 1.00 0.35 H new ATOM 0 HD23 LEU A 62 2.920 0.916 -6.245 1.00 0.35 H new ATOM 1019 N SER A 63 0.553 3.701 -8.540 1.00 0.39 N ATOM 1020 CA SER A 63 -0.385 4.625 -9.133 1.00 0.48 C ATOM 1021 C SER A 63 0.232 6.015 -9.147 1.00 0.49 C ATOM 1022 O SER A 63 1.126 6.307 -8.355 1.00 0.60 O ATOM 1023 CB SER A 63 -1.673 4.621 -8.321 1.00 0.66 C ATOM 1024 OG SER A 63 -2.743 5.190 -9.058 1.00 1.57 O ATOM 0 H SER A 63 0.443 3.584 -7.533 1.00 0.39 H new ATOM 0 HA SER A 63 -0.614 4.328 -10.156 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.925 3.599 -8.038 1.00 0.66 H new ATOM 0 HB3 SER A 63 -1.526 5.180 -7.397 1.00 0.66 H new ATOM 0 HG SER A 63 -3.282 5.757 -8.467 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.237 6.866 -10.047 1.00 0.66 N ATOM 1031 CA ARG A 64 0.354 8.183 -10.222 1.00 0.78 C ATOM 1032 C ARG A 64 -0.138 9.165 -9.161 1.00 0.61 C ATOM 1033 O ARG A 64 0.342 10.295 -9.077 1.00 0.71 O ATOM 1034 CB ARG A 64 0.052 8.713 -11.620 1.00 1.08 C ATOM 1035 CG ARG A 64 1.260 9.336 -12.297 1.00 1.53 C ATOM 1036 CD ARG A 64 2.383 8.324 -12.455 1.00 2.14 C ATOM 1037 NE ARG A 64 1.974 7.170 -13.259 1.00 2.62 N ATOM 1038 CZ ARG A 64 2.207 5.901 -12.918 1.00 3.27 C ATOM 1039 NH1 ARG A 64 2.785 5.617 -11.759 1.00 3.51 N ATOM 1040 NH2 ARG A 64 1.854 4.917 -13.736 1.00 4.02 N ATOM 0 H ARG A 64 -1.023 6.668 -10.666 1.00 0.66 H new ATOM 0 HA ARG A 64 1.433 8.084 -10.104 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -0.322 7.897 -12.238 1.00 1.08 H new ATOM 0 HB3 ARG A 64 -0.744 9.455 -11.556 1.00 1.08 H new ATOM 0 HG2 ARG A 64 0.974 9.721 -13.276 1.00 1.53 H new ATOM 0 HG3 ARG A 64 1.611 10.185 -11.711 1.00 1.53 H new ATOM 0 HD2 ARG A 64 3.242 8.806 -12.923 1.00 2.14 H new ATOM 0 HD3 ARG A 64 2.705 7.984 -11.471 1.00 2.14 H new ATOM 0 HE ARG A 64 1.480 7.347 -14.134 1.00 2.62 H new ATOM 0 HH11 ARG A 64 3.053 6.370 -11.125 1.00 3.51 H new ATOM 0 HH12 ARG A 64 2.962 4.646 -11.502 1.00 3.51 H new ATOM 0 HH21 ARG A 64 1.404 5.130 -14.626 1.00 4.02 H new ATOM 0 HH22 ARG A 64 2.033 3.947 -13.474 1.00 4.02 H new ATOM 1054 N ALA A 65 -1.095 8.727 -8.357 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.617 9.551 -7.280 1.00 0.36 C ATOM 1056 C ALA A 65 -1.403 8.878 -5.928 1.00 0.33 C ATOM 1057 O ALA A 65 -1.820 7.736 -5.715 1.00 0.33 O ATOM 1058 CB ALA A 65 -3.089 9.843 -7.508 1.00 0.47 C ATOM 0 H ALA A 65 -1.525 7.805 -8.431 1.00 0.44 H new ATOM 0 HA ALA A 65 -1.073 10.495 -7.274 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -3.468 10.461 -6.694 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -3.213 10.372 -8.453 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.645 8.906 -7.541 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.709 9.571 -5.013 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.499 9.099 -3.641 1.00 0.37 C ATOM 1066 C PRO A 66 -1.807 8.890 -2.882 1.00 0.33 C ATOM 1067 O PRO A 66 -2.853 9.371 -3.314 1.00 0.34 O ATOM 1068 CB PRO A 66 0.331 10.208 -2.984 1.00 0.45 C ATOM 1069 CG PRO A 66 0.230 11.389 -3.886 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.037 10.855 -5.263 1.00 0.41 C ATOM 0 HA PRO A 66 -0.008 8.126 -3.630 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.050 10.443 -1.990 1.00 0.45 H new ATOM 0 HB3 PRO A 66 1.369 9.898 -2.863 1.00 0.45 H new ATOM 0 HG2 PRO A 66 -0.572 12.054 -3.566 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.152 11.970 -3.868 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.668 11.532 -5.840 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.886 10.721 -5.827 1.00 0.41 H new ATOM 1078 N ALA A 67 -1.749 8.181 -1.761 1.00 0.35 N ATOM 1079 CA ALA A 67 -2.955 7.758 -1.041 1.00 0.35 C ATOM 1080 C ALA A 67 -3.918 8.918 -0.764 1.00 0.32 C ATOM 1081 O ALA A 67 -5.134 8.777 -0.930 1.00 0.34 O ATOM 1082 CB ALA A 67 -2.572 7.064 0.257 1.00 0.40 C ATOM 0 H ALA A 67 -0.876 7.883 -1.325 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.485 7.058 -1.687 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -3.474 6.754 0.784 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -1.962 6.188 0.035 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.004 7.752 0.884 1.00 0.40 H new ATOM 1088 N SER A 68 -3.379 10.062 -0.366 1.00 0.36 N ATOM 1089 CA SER A 68 -4.204 11.214 -0.022 1.00 0.39 C ATOM 1090 C SER A 68 -4.642 11.999 -1.264 1.00 0.39 C ATOM 1091 O SER A 68 -5.419 12.950 -1.168 1.00 0.47 O ATOM 1092 CB SER A 68 -3.440 12.118 0.948 1.00 0.46 C ATOM 1093 OG SER A 68 -2.107 12.318 0.510 1.00 1.08 O ATOM 0 H SER A 68 -2.375 10.218 -0.273 1.00 0.36 H new ATOM 0 HA SER A 68 -5.112 10.850 0.458 1.00 0.39 H new ATOM 0 HB2 SER A 68 -3.947 13.079 1.032 1.00 0.46 H new ATOM 0 HB3 SER A 68 -3.437 11.671 1.942 1.00 0.46 H new ATOM 0 HG SER A 68 -1.638 12.900 1.144 1.00 1.08 H new ATOM 1099 N SER A 69 -4.147 11.597 -2.429 1.00 0.37 N ATOM 1100 CA SER A 69 -4.486 12.265 -3.679 1.00 0.41 C ATOM 1101 C SER A 69 -5.367 11.374 -4.556 1.00 0.43 C ATOM 1102 O SER A 69 -6.054 11.853 -5.459 1.00 0.58 O ATOM 1103 CB SER A 69 -3.210 12.633 -4.437 1.00 0.48 C ATOM 1104 OG SER A 69 -2.341 13.419 -3.635 1.00 1.15 O ATOM 0 H SER A 69 -3.508 10.809 -2.533 1.00 0.37 H new ATOM 0 HA SER A 69 -5.042 13.171 -3.440 1.00 0.41 H new ATOM 0 HB2 SER A 69 -2.696 11.724 -4.751 1.00 0.48 H new ATOM 0 HB3 SER A 69 -3.468 13.182 -5.343 1.00 0.48 H new ATOM 0 HG SER A 69 -1.613 13.770 -4.189 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.337 10.077 -4.287 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.081 9.112 -5.080 1.00 0.47 C ATOM 1112 C GLU A 70 -7.483 8.928 -4.516 1.00 0.45 C ATOM 1113 O GLU A 70 -7.650 8.707 -3.317 1.00 0.40 O ATOM 1114 CB GLU A 70 -5.345 7.773 -5.097 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.872 6.806 -6.140 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.666 7.311 -7.552 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -6.471 8.146 -8.019 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -4.697 6.874 -8.204 1.00 1.09 O ATOM 0 H GLU A 70 -4.802 9.668 -3.521 1.00 0.40 H new ATOM 0 HA GLU A 70 -6.163 9.488 -6.100 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -4.286 7.952 -5.281 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -5.424 7.312 -4.113 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -5.373 5.844 -6.025 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -6.935 6.636 -5.969 1.00 0.69 H new ATOM 1125 N THR A 71 -8.484 9.015 -5.380 1.00 0.57 N ATOM 1126 CA THR A 71 -9.872 8.929 -4.953 1.00 0.59 C ATOM 1127 C THR A 71 -10.572 7.710 -5.543 1.00 0.67 C ATOM 1128 O THR A 71 -10.312 7.322 -6.684 1.00 0.75 O ATOM 1129 CB THR A 71 -10.658 10.189 -5.368 1.00 0.67 C ATOM 1130 OG1 THR A 71 -10.399 10.500 -6.744 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.301 11.382 -4.495 1.00 0.67 C ATOM 0 H THR A 71 -8.360 9.145 -6.384 1.00 0.57 H new ATOM 0 HA THR A 71 -9.855 8.841 -3.867 1.00 0.59 H new ATOM 0 HB THR A 71 -11.719 9.978 -5.235 1.00 0.67 H new ATOM 0 HG1 THR A 71 -10.904 11.300 -6.999 1.00 0.93 H new ATOM 0 HG21 THR A 71 -10.874 12.252 -4.816 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.537 11.156 -3.455 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.236 11.595 -4.587 1.00 0.67 H new ATOM 1139 N PHE A 72 -11.454 7.109 -4.759 1.00 0.67 N ATOM 1140 CA PHE A 72 -12.328 6.058 -5.252 1.00 0.74 C ATOM 1141 C PHE A 72 -13.726 6.272 -4.688 1.00 0.76 C ATOM 1142 O PHE A 72 -13.882 6.754 -3.564 1.00 0.74 O ATOM 1143 CB PHE A 72 -11.790 4.664 -4.891 1.00 0.75 C ATOM 1144 CG PHE A 72 -11.820 4.327 -3.423 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -10.855 4.835 -2.565 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -12.818 3.522 -2.899 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -10.884 4.541 -1.216 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -12.853 3.227 -1.549 1.00 0.69 C ATOM 1149 CZ PHE A 72 -11.865 3.675 -0.722 1.00 0.57 C ATOM 0 H PHE A 72 -11.583 7.334 -3.772 1.00 0.67 H new ATOM 0 HA PHE A 72 -12.366 6.108 -6.340 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -12.371 3.916 -5.431 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -10.762 4.586 -5.245 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.072 5.468 -2.957 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -13.578 3.120 -3.553 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.155 4.976 -0.548 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -13.666 2.640 -1.148 1.00 0.69 H new ATOM 0 HZ PHE A 72 -11.840 3.362 0.311 1.00 0.57 H new ATOM 1159 N GLU A 73 -14.736 5.944 -5.474 1.00 0.83 N ATOM 1160 CA GLU A 73 -16.108 6.218 -5.084 1.00 0.86 C ATOM 1161 C GLU A 73 -16.642 5.120 -4.170 1.00 0.87 C ATOM 1162 O GLU A 73 -16.911 4.000 -4.607 1.00 0.89 O ATOM 1163 CB GLU A 73 -16.995 6.370 -6.320 1.00 0.97 C ATOM 1164 CG GLU A 73 -18.370 6.939 -6.010 1.00 1.02 C ATOM 1165 CD GLU A 73 -19.192 7.190 -7.255 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -19.906 6.265 -7.700 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -19.132 8.315 -7.792 1.00 1.68 O ATOM 0 H GLU A 73 -14.633 5.490 -6.382 1.00 0.83 H new ATOM 0 HA GLU A 73 -16.125 7.157 -4.530 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -16.495 7.019 -7.039 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -17.112 5.397 -6.796 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -18.906 6.249 -5.359 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -18.257 7.873 -5.460 1.00 1.02 H new ATOM 1174 N HIS A 74 -16.785 5.459 -2.899 1.00 0.90 N ATOM 1175 CA HIS A 74 -17.294 4.543 -1.896 1.00 0.97 C ATOM 1176 C HIS A 74 -18.743 4.889 -1.576 1.00 1.09 C ATOM 1177 O HIS A 74 -19.018 5.761 -0.747 1.00 1.06 O ATOM 1178 CB HIS A 74 -16.425 4.618 -0.635 1.00 0.90 C ATOM 1179 CG HIS A 74 -16.861 3.707 0.472 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -17.046 4.176 1.749 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -17.111 2.377 0.448 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -17.400 3.128 2.469 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.455 2.014 1.726 1.00 1.20 N ATOM 0 H HIS A 74 -16.550 6.382 -2.534 1.00 0.90 H new ATOM 0 HA HIS A 74 -17.257 3.523 -2.279 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -15.396 4.378 -0.903 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.428 5.644 -0.267 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -17.051 1.726 -0.412 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -17.618 3.164 3.526 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -17.704 1.079 2.048 1.00 1.20 H new ATOM 1191 N ASP A 75 -19.659 4.228 -2.277 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.094 4.404 -2.063 1.00 1.48 C ATOM 1193 C ASP A 75 -21.514 5.858 -2.255 1.00 1.39 C ATOM 1194 O ASP A 75 -22.091 6.480 -1.362 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.511 3.894 -0.676 1.00 1.61 C ATOM 1196 CG ASP A 75 -21.630 2.382 -0.622 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -20.598 1.685 -0.743 1.00 2.80 O ATOM 1198 OD2 ASP A 75 -22.764 1.875 -0.467 1.00 2.30 O ATOM 0 H ASP A 75 -19.429 3.556 -3.009 1.00 1.29 H new ATOM 0 HA ASP A 75 -21.612 3.808 -2.814 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -20.781 4.224 0.063 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -22.467 4.340 -0.401 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.211 6.394 -3.429 1.00 1.28 N ATOM 1204 CA GLY A 76 -21.647 7.730 -3.785 1.00 1.24 C ATOM 1205 C GLY A 76 -20.653 8.810 -3.407 1.00 1.14 C ATOM 1206 O GLY A 76 -20.696 9.915 -3.948 1.00 1.18 O ATOM 0 H GLY A 76 -20.665 5.921 -4.149 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -21.826 7.771 -4.859 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -22.599 7.936 -3.296 1.00 1.24 H new ATOM 1210 N LYS A 77 -19.745 8.500 -2.496 1.00 1.07 N ATOM 1211 CA LYS A 77 -18.781 9.485 -2.025 1.00 1.00 C ATOM 1212 C LYS A 77 -17.375 9.122 -2.479 1.00 0.89 C ATOM 1213 O LYS A 77 -16.889 8.030 -2.200 1.00 0.88 O ATOM 1214 CB LYS A 77 -18.817 9.580 -0.497 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.180 9.952 0.069 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.635 11.319 -0.415 1.00 1.58 C ATOM 1217 CE LYS A 77 -21.982 11.694 0.178 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.441 13.027 -0.287 1.00 2.07 N ATOM 0 H LYS A 77 -19.654 7.578 -2.068 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.051 10.451 -2.451 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.510 8.622 -0.077 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.086 10.320 -0.172 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -20.913 9.200 -0.223 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -20.135 9.948 1.158 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -19.893 12.069 -0.142 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -20.702 11.318 -1.503 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.721 10.940 -0.095 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -21.912 11.693 1.266 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -23.364 13.245 0.141 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -21.749 13.750 -0.005 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -22.532 13.021 -1.323 1.00 2.07 H new ATOM 1232 N LYS A 78 -16.724 10.033 -3.182 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.345 9.817 -3.596 1.00 0.83 C ATOM 1234 C LYS A 78 -14.394 10.100 -2.444 1.00 0.73 C ATOM 1235 O LYS A 78 -14.038 11.250 -2.181 1.00 0.81 O ATOM 1236 CB LYS A 78 -14.983 10.693 -4.795 1.00 0.92 C ATOM 1237 CG LYS A 78 -15.655 10.271 -6.087 1.00 1.01 C ATOM 1238 CD LYS A 78 -15.263 11.186 -7.231 1.00 1.23 C ATOM 1239 CE LYS A 78 -15.957 10.795 -8.520 1.00 1.77 C ATOM 1240 NZ LYS A 78 -15.557 11.672 -9.652 1.00 2.36 N ATOM 0 H LYS A 78 -17.123 10.924 -3.477 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.247 8.773 -3.892 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -15.256 11.725 -4.575 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -13.902 10.672 -4.935 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -15.377 9.245 -6.327 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -16.737 10.287 -5.959 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -15.517 12.215 -6.978 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -14.183 11.150 -7.373 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -15.718 9.759 -8.761 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -17.037 10.850 -8.382 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -16.053 11.372 -10.515 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -15.807 12.657 -9.433 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -14.530 11.601 -9.800 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.002 9.049 -1.751 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.068 9.167 -0.652 1.00 0.54 C ATOM 1256 C VAL A 79 -11.665 8.829 -1.136 1.00 0.48 C ATOM 1257 O VAL A 79 -11.495 8.026 -2.056 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.456 8.238 0.524 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.830 8.604 1.065 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.429 6.778 0.099 1.00 0.56 C ATOM 0 H VAL A 79 -14.320 8.097 -1.933 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.097 10.195 -0.291 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.720 8.376 1.316 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.085 7.940 1.891 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.819 9.635 1.419 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.572 8.500 0.274 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -13.705 6.148 0.944 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.136 6.623 -0.716 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.426 6.515 -0.237 1.00 0.56 H new ATOM 1270 N THR A 80 -10.667 9.469 -0.555 1.00 0.42 N ATOM 1271 CA THR A 80 -9.295 9.159 -0.897 1.00 0.37 C ATOM 1272 C THR A 80 -8.867 7.879 -0.197 1.00 0.33 C ATOM 1273 O THR A 80 -9.466 7.510 0.819 1.00 0.32 O ATOM 1274 CB THR A 80 -8.332 10.302 -0.518 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.474 10.628 0.871 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.594 11.540 -1.362 1.00 0.46 C ATOM 0 H THR A 80 -10.780 10.199 0.148 1.00 0.42 H new ATOM 0 HA THR A 80 -9.247 9.029 -1.978 1.00 0.37 H new ATOM 0 HB THR A 80 -7.314 9.961 -0.709 1.00 0.34 H new ATOM 0 HG1 THR A 80 -7.857 11.354 1.101 1.00 0.35 H new ATOM 0 HG21 THR A 80 -7.901 12.330 -1.074 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.452 11.299 -2.415 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.618 11.879 -1.203 1.00 0.46 H new ATOM 1284 N ILE A 81 -7.863 7.196 -0.730 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.384 5.962 -0.113 1.00 0.31 C ATOM 1286 C ILE A 81 -7.043 6.235 1.352 1.00 0.27 C ATOM 1287 O ILE A 81 -7.423 5.480 2.253 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.131 5.400 -0.824 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.271 5.496 -2.349 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -5.892 3.951 -0.408 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.387 4.652 -2.923 1.00 0.40 C ATOM 0 H ILE A 81 -7.368 7.470 -1.579 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.177 5.219 -0.199 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.274 6.002 -0.523 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.441 6.537 -2.622 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.330 5.195 -2.809 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.007 3.568 -0.916 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.741 3.902 0.670 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -6.757 3.347 -0.681 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -7.418 4.777 -4.005 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.210 3.603 -2.684 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.338 4.967 -2.494 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.364 7.359 1.573 1.00 0.26 N ATOM 1304 CA ALA A 82 -5.976 7.782 2.910 1.00 0.25 C ATOM 1305 C ALA A 82 -7.192 8.033 3.798 1.00 0.24 C ATOM 1306 O ALA A 82 -7.212 7.615 4.953 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.113 9.034 2.837 1.00 0.26 C ATOM 0 H ALA A 82 -6.070 7.996 0.833 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.399 6.973 3.358 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.830 9.340 3.844 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.215 8.824 2.256 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.675 9.836 2.359 1.00 0.26 H new ATOM 1313 N SER A 83 -8.206 8.698 3.252 1.00 0.26 N ATOM 1314 CA SER A 83 -9.393 9.056 4.024 1.00 0.28 C ATOM 1315 C SER A 83 -10.155 7.812 4.470 1.00 0.26 C ATOM 1316 O SER A 83 -10.658 7.760 5.590 1.00 0.27 O ATOM 1317 CB SER A 83 -10.315 9.968 3.208 1.00 0.34 C ATOM 1318 OG SER A 83 -11.457 10.355 3.959 1.00 1.16 O ATOM 0 H SER A 83 -8.230 9.000 2.278 1.00 0.26 H new ATOM 0 HA SER A 83 -9.060 9.593 4.912 1.00 0.28 H new ATOM 0 HB2 SER A 83 -9.766 10.856 2.894 1.00 0.34 H new ATOM 0 HB3 SER A 83 -10.631 9.451 2.302 1.00 0.34 H new ATOM 0 HG SER A 83 -12.026 10.937 3.413 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.225 6.815 3.597 1.00 0.27 N ATOM 1325 CA TYR A 84 -10.959 5.592 3.898 1.00 0.29 C ATOM 1326 C TYR A 84 -10.334 4.874 5.091 1.00 0.27 C ATOM 1327 O TYR A 84 -11.026 4.496 6.037 1.00 0.29 O ATOM 1328 CB TYR A 84 -10.977 4.672 2.674 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.814 3.424 2.855 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.195 3.465 2.712 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.223 2.205 3.165 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.963 2.329 2.876 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -11.984 1.064 3.328 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.354 1.132 3.183 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.119 -0.003 3.344 1.00 0.95 O ATOM 0 H TYR A 84 -9.784 6.829 2.677 1.00 0.27 H new ATOM 0 HA TYR A 84 -11.985 5.856 4.153 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.356 5.230 1.818 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -9.954 4.380 2.437 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.676 4.401 2.469 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.151 2.149 3.280 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.036 2.379 2.764 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -11.509 0.124 3.568 1.00 0.71 H new ATOM 0 HH TYR A 84 -13.537 -0.762 3.556 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.022 4.704 5.043 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.291 4.064 6.129 1.00 0.27 C ATOM 1347 C PHE A 85 -8.309 4.929 7.383 1.00 0.28 C ATOM 1348 O PHE A 85 -8.414 4.419 8.500 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.854 3.760 5.697 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.754 2.596 4.746 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -7.305 2.664 3.474 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.115 1.429 5.128 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -7.223 1.591 2.607 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -6.029 0.353 4.263 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.584 0.434 3.003 1.00 0.29 C ATOM 0 H PHE A 85 -8.438 5.001 4.261 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.786 3.123 6.367 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.429 4.645 5.224 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.252 3.551 6.581 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.805 3.568 3.157 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.678 1.358 6.113 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.658 1.658 1.621 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.527 -0.551 4.574 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.519 -0.406 2.328 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.225 6.240 7.184 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.224 7.201 8.281 1.00 0.29 C ATOM 1367 C HIS A 86 -9.473 7.037 9.146 1.00 0.31 C ATOM 1368 O HIS A 86 -9.391 7.008 10.374 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.171 8.622 7.721 1.00 0.30 C ATOM 1370 CG HIS A 86 -7.562 9.626 8.648 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -8.327 10.398 9.488 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -6.259 9.962 8.801 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -7.474 11.184 10.127 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -6.209 10.958 9.740 1.00 0.85 N ATOM 0 H HIS A 86 -8.156 6.666 6.260 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.346 7.018 8.900 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.603 8.613 6.791 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.184 8.941 7.473 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -5.418 9.527 8.281 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -7.761 11.916 10.868 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -5.373 11.435 10.079 1.00 0.85 H new ATOM 1382 N SER A 87 -10.625 6.915 8.489 1.00 0.29 N ATOM 1383 CA SER A 87 -11.899 6.734 9.179 1.00 0.35 C ATOM 1384 C SER A 87 -11.929 5.410 9.946 1.00 0.41 C ATOM 1385 O SER A 87 -12.654 5.268 10.932 1.00 0.48 O ATOM 1386 CB SER A 87 -13.047 6.777 8.168 1.00 0.36 C ATOM 1387 OG SER A 87 -13.006 7.968 7.404 1.00 1.31 O ATOM 0 H SER A 87 -10.701 6.939 7.472 1.00 0.29 H new ATOM 0 HA SER A 87 -12.016 7.545 9.898 1.00 0.35 H new ATOM 0 HB2 SER A 87 -12.985 5.914 7.506 1.00 0.36 H new ATOM 0 HB3 SER A 87 -14.000 6.709 8.692 1.00 0.36 H new ATOM 0 HG SER A 87 -12.270 7.918 6.759 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.126 4.453 9.495 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.079 3.126 10.106 1.00 0.46 C ATOM 1395 C ARG A 88 -10.076 3.074 11.261 1.00 0.48 C ATOM 1396 O ARG A 88 -9.495 2.026 11.541 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.731 2.056 9.063 1.00 0.49 C ATOM 1398 CG ARG A 88 -11.943 1.429 8.379 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.760 2.443 7.592 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.930 1.823 6.965 1.00 1.92 N ATOM 1401 CZ ARG A 88 -14.987 2.494 6.508 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -15.011 3.821 6.547 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -16.016 1.830 5.999 1.00 3.55 N ATOM 0 H ARG A 88 -10.494 4.571 8.703 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.071 2.920 10.507 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -10.089 2.501 8.303 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -10.153 1.268 9.546 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -11.608 0.638 7.708 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -12.578 0.961 9.131 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.084 3.244 8.256 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -12.134 2.899 6.825 1.00 1.21 H new ATOM 0 HE ARG A 88 -13.936 0.807 6.872 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -14.217 4.334 6.929 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -15.824 4.327 6.195 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -15.996 0.811 5.959 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -16.828 2.338 5.648 1.00 3.55 H new ATOM 1417 N ASN A 89 -9.863 4.224 11.906 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.032 4.328 13.117 1.00 0.47 C ATOM 1419 C ASN A 89 -7.553 4.130 12.812 1.00 0.48 C ATOM 1420 O ASN A 89 -6.743 3.940 13.725 1.00 0.67 O ATOM 1421 CB ASN A 89 -9.465 3.318 14.195 1.00 0.55 C ATOM 1422 CG ASN A 89 -10.923 3.445 14.596 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -11.273 4.245 15.463 1.00 1.45 O ATOM 1424 ND2 ASN A 89 -11.780 2.635 13.987 1.00 1.98 N ATOM 0 H ASN A 89 -10.261 5.114 11.605 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.180 5.339 13.497 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -9.285 2.308 13.828 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -8.841 3.452 15.078 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -12.770 2.662 14.233 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -11.449 1.986 13.273 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.192 4.185 11.540 1.00 0.39 N ATOM 1432 CA TYR A 90 -5.804 4.019 11.151 1.00 0.38 C ATOM 1433 C TYR A 90 -5.332 5.202 10.316 1.00 0.32 C ATOM 1434 O TYR A 90 -5.585 5.272 9.113 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.606 2.715 10.374 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.152 2.426 10.068 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.313 1.898 11.042 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.616 2.690 8.814 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -1.982 1.644 10.775 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.286 2.437 8.540 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.473 1.915 9.524 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.147 1.663 9.256 1.00 0.52 O ATOM 0 H TYR A 90 -7.837 4.342 10.765 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.206 3.974 12.061 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.022 1.888 10.950 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.165 2.766 9.440 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -3.708 1.683 12.024 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.249 3.100 8.041 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.343 1.235 11.544 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -1.885 2.647 7.560 1.00 0.46 H new ATOM 0 HH TYR A 90 0.181 2.308 8.595 1.00 0.52 H new ATOM 1452 N PRO A 91 -4.650 6.160 10.951 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.077 7.305 10.254 1.00 0.33 C ATOM 1454 C PRO A 91 -2.751 6.953 9.578 1.00 0.33 C ATOM 1455 O PRO A 91 -1.758 6.663 10.249 1.00 0.37 O ATOM 1456 CB PRO A 91 -3.872 8.319 11.379 1.00 0.40 C ATOM 1457 CG PRO A 91 -3.625 7.492 12.598 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.389 6.205 12.404 1.00 0.41 C ATOM 0 HA PRO A 91 -4.712 7.673 9.448 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.028 8.977 11.170 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -4.749 8.955 11.503 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -2.560 7.296 12.725 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -3.962 8.012 13.495 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -3.808 5.343 12.732 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.317 6.201 12.976 1.00 0.41 H new ATOM 1466 N LEU A 92 -2.754 6.965 8.247 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.555 6.678 7.462 1.00 0.35 C ATOM 1468 C LEU A 92 -0.427 7.628 7.837 1.00 0.38 C ATOM 1469 O LEU A 92 -0.626 8.841 7.933 1.00 0.40 O ATOM 1470 CB LEU A 92 -1.859 6.797 5.966 1.00 0.36 C ATOM 1471 CG LEU A 92 -2.735 5.685 5.390 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.060 5.962 3.931 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.035 4.346 5.531 1.00 0.45 C ATOM 0 H LEU A 92 -3.580 7.172 7.686 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.240 5.658 7.682 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.349 7.754 5.786 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -0.916 6.814 5.420 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.671 5.654 5.948 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.684 5.159 3.539 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.593 6.909 3.851 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.135 6.016 3.356 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.667 3.560 5.118 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.088 4.372 4.991 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -1.846 4.143 6.585 1.00 0.45 H new ATOM 1485 N LYS A 93 0.756 7.068 8.043 1.00 0.41 N ATOM 1486 CA LYS A 93 1.892 7.842 8.518 1.00 0.46 C ATOM 1487 C LYS A 93 2.528 8.612 7.371 1.00 0.44 C ATOM 1488 O LYS A 93 3.081 9.695 7.567 1.00 0.47 O ATOM 1489 CB LYS A 93 2.924 6.919 9.165 1.00 0.54 C ATOM 1490 CG LYS A 93 2.324 5.913 10.134 1.00 0.73 C ATOM 1491 CD LYS A 93 3.402 5.081 10.806 1.00 0.75 C ATOM 1492 CE LYS A 93 4.190 5.902 11.811 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.365 6.263 12.995 1.00 1.99 N ATOM 0 H LYS A 93 0.954 6.079 7.888 1.00 0.41 H new ATOM 0 HA LYS A 93 1.538 8.555 9.262 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.458 6.381 8.382 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.659 7.525 9.694 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.742 6.438 10.892 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.636 5.257 9.601 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.945 4.229 11.309 1.00 0.75 H new ATOM 0 HD3 LYS A 93 4.078 4.681 10.051 1.00 0.75 H new ATOM 0 HE2 LYS A 93 5.065 5.338 12.135 1.00 1.45 H new ATOM 0 HE3 LYS A 93 4.556 6.810 11.332 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.986 6.578 13.768 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.711 7.031 12.741 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 2.820 5.433 13.305 1.00 1.99 H new ATOM 1507 N PHE A 94 2.446 8.044 6.172 1.00 0.42 N ATOM 1508 CA PHE A 94 3.003 8.673 4.977 1.00 0.43 C ATOM 1509 C PHE A 94 2.054 8.495 3.799 1.00 0.42 C ATOM 1510 O PHE A 94 2.388 7.842 2.811 1.00 0.45 O ATOM 1511 CB PHE A 94 4.368 8.069 4.622 1.00 0.49 C ATOM 1512 CG PHE A 94 4.875 7.088 5.637 1.00 0.44 C ATOM 1513 CD1 PHE A 94 4.330 5.817 5.712 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.888 7.437 6.512 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.788 4.910 6.648 1.00 0.62 C ATOM 1516 CE2 PHE A 94 6.351 6.535 7.449 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.800 5.270 7.518 1.00 0.56 C ATOM 0 H PHE A 94 1.997 7.144 6.001 1.00 0.42 H new ATOM 0 HA PHE A 94 3.132 9.735 5.188 1.00 0.43 H new ATOM 0 HB2 PHE A 94 4.295 7.572 3.654 1.00 0.49 H new ATOM 0 HB3 PHE A 94 5.095 8.874 4.513 1.00 0.49 H new ATOM 0 HD1 PHE A 94 3.540 5.532 5.033 1.00 0.53 H new ATOM 0 HD2 PHE A 94 6.321 8.425 6.462 1.00 0.46 H new ATOM 0 HE1 PHE A 94 4.356 3.921 6.700 1.00 0.62 H new ATOM 0 HE2 PHE A 94 7.143 6.818 8.127 1.00 0.49 H new ATOM 0 HZ PHE A 94 6.160 4.563 8.251 1.00 0.56 H new ATOM 1527 N PRO A 95 0.853 9.080 3.878 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.174 8.921 2.847 1.00 0.53 C ATOM 1529 C PRO A 95 0.173 9.649 1.552 1.00 0.52 C ATOM 1530 O PRO A 95 -0.532 9.530 0.549 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.409 9.508 3.513 1.00 0.63 C ATOM 1532 CG PRO A 95 -0.872 10.550 4.425 1.00 0.63 C ATOM 1533 CD PRO A 95 0.401 9.970 4.968 1.00 0.54 C ATOM 0 HA PRO A 95 -0.299 7.884 2.534 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.092 9.935 2.779 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -1.965 8.747 4.061 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -0.686 11.483 3.893 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -1.576 10.775 5.226 1.00 0.63 H new ATOM 0 HD2 PRO A 95 1.136 10.745 5.187 1.00 0.54 H new ATOM 0 HD3 PRO A 95 0.231 9.420 5.894 1.00 0.54 H new ATOM 1541 N GLN A 96 1.259 10.413 1.582 1.00 0.48 N ATOM 1542 CA GLN A 96 1.742 11.105 0.395 1.00 0.50 C ATOM 1543 C GLN A 96 2.543 10.165 -0.497 1.00 0.54 C ATOM 1544 O GLN A 96 3.063 10.574 -1.532 1.00 0.62 O ATOM 1545 CB GLN A 96 2.590 12.319 0.783 1.00 0.53 C ATOM 1546 CG GLN A 96 1.767 13.510 1.247 1.00 1.09 C ATOM 1547 CD GLN A 96 0.966 14.145 0.122 1.00 1.86 C ATOM 1548 OE1 GLN A 96 0.571 13.482 -0.837 1.00 2.61 O ATOM 1549 NE2 GLN A 96 0.718 15.437 0.235 1.00 2.52 N ATOM 0 H GLN A 96 1.822 10.568 2.418 1.00 0.48 H new ATOM 0 HA GLN A 96 0.874 11.452 -0.165 1.00 0.50 H new ATOM 0 HB2 GLN A 96 3.279 12.032 1.577 1.00 0.53 H new ATOM 0 HB3 GLN A 96 3.196 12.617 -0.072 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.086 13.191 2.036 1.00 1.09 H new ATOM 0 HG3 GLN A 96 2.431 14.258 1.682 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.062 15.953 1.045 1.00 2.52 H new ATOM 0 HE22 GLN A 96 0.182 15.919 -0.487 1.00 2.52 H new ATOM 1558 N LEU A 97 2.641 8.907 -0.093 1.00 0.54 N ATOM 1559 CA LEU A 97 3.283 7.895 -0.915 1.00 0.67 C ATOM 1560 C LEU A 97 2.301 7.380 -1.961 1.00 0.73 C ATOM 1561 O LEU A 97 1.129 7.137 -1.658 1.00 1.41 O ATOM 1562 CB LEU A 97 3.785 6.734 -0.050 1.00 0.84 C ATOM 1563 CG LEU A 97 4.855 7.097 0.984 1.00 1.07 C ATOM 1564 CD1 LEU A 97 5.280 5.866 1.770 1.00 1.56 C ATOM 1565 CD2 LEU A 97 6.058 7.736 0.308 1.00 1.50 C ATOM 0 H LEU A 97 2.284 8.564 0.799 1.00 0.54 H new ATOM 0 HA LEU A 97 4.139 8.346 -1.416 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.933 6.298 0.472 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.186 5.962 -0.706 1.00 0.84 H new ATOM 0 HG LEU A 97 4.426 7.819 1.679 1.00 1.07 H new ATOM 0 HD11 LEU A 97 6.041 6.145 2.499 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.416 5.449 2.288 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.688 5.121 1.087 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.807 7.987 1.059 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.485 7.037 -0.411 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.745 8.643 -0.209 1.00 1.50 H new ATOM 1577 N HIS A 98 2.783 7.255 -3.193 1.00 0.47 N ATOM 1578 CA HIS A 98 1.981 6.752 -4.306 1.00 0.43 C ATOM 1579 C HIS A 98 1.371 5.394 -3.984 1.00 0.49 C ATOM 1580 O HIS A 98 2.052 4.492 -3.490 1.00 0.89 O ATOM 1581 CB HIS A 98 2.839 6.664 -5.571 1.00 0.49 C ATOM 1582 CG HIS A 98 3.183 8.005 -6.143 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.121 8.814 -5.555 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.662 8.644 -7.217 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.148 9.921 -6.274 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.282 9.865 -7.294 1.00 0.51 N ATOM 0 H HIS A 98 3.740 7.499 -3.449 1.00 0.47 H new ATOM 0 HA HIS A 98 1.162 7.451 -4.476 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.759 6.127 -5.342 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.308 6.080 -6.323 1.00 0.49 H new ATOM 0 HD2 HIS A 98 1.903 8.265 -7.885 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.788 10.766 -6.066 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.116 10.590 -7.992 1.00 0.51 H new ATOM 1594 N CYS A 99 0.078 5.273 -4.264 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.675 4.062 -3.965 1.00 0.36 C ATOM 1596 C CYS A 99 -0.110 2.862 -4.711 1.00 0.34 C ATOM 1597 O CYS A 99 0.309 2.975 -5.863 1.00 0.43 O ATOM 1598 CB CYS A 99 -2.139 4.252 -4.345 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.891 5.739 -3.658 1.00 0.55 S ATOM 0 H CYS A 99 -0.475 6.009 -4.703 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.593 3.873 -2.895 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.220 4.286 -5.431 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.706 3.383 -4.010 1.00 0.44 H new ATOM 0 HG CYS A 99 -2.567 6.766 -4.387 1.00 0.55 H new ATOM 1605 N LEU A 100 -0.120 1.716 -4.048 1.00 0.25 N ATOM 1606 CA LEU A 100 0.426 0.497 -4.617 1.00 0.24 C ATOM 1607 C LEU A 100 -0.530 -0.078 -5.650 1.00 0.23 C ATOM 1608 O LEU A 100 -1.683 -0.364 -5.334 1.00 0.31 O ATOM 1609 CB LEU A 100 0.681 -0.525 -3.508 1.00 0.30 C ATOM 1610 CG LEU A 100 1.416 -1.786 -3.943 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.806 -1.434 -4.442 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.497 -2.771 -2.792 1.00 0.47 C ATOM 0 H LEU A 100 -0.503 1.606 -3.109 1.00 0.25 H new ATOM 0 HA LEU A 100 1.370 0.730 -5.110 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.256 -0.043 -2.717 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.277 -0.813 -3.075 1.00 0.30 H new ATOM 0 HG LEU A 100 0.862 -2.253 -4.757 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.323 -2.343 -4.750 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.727 -0.756 -5.291 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.368 -0.951 -3.643 1.00 0.32 H new ATOM 0 HD21 LEU A 100 2.025 -3.668 -3.117 1.00 0.47 H new ATOM 0 HD22 LEU A 100 2.034 -2.315 -1.960 1.00 0.47 H new ATOM 0 HD23 LEU A 100 0.490 -3.039 -2.471 1.00 0.47 H new ATOM 1624 N ASN A 101 -0.053 -0.238 -6.878 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.878 -0.784 -7.948 1.00 0.22 C ATOM 1626 C ASN A 101 -0.689 -2.291 -8.025 1.00 0.22 C ATOM 1627 O ASN A 101 0.273 -2.789 -8.630 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.536 -0.139 -9.296 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.498 -0.559 -10.396 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.668 -0.834 -10.139 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -1.019 -0.610 -11.629 1.00 1.06 N ATOM 0 H ASN A 101 0.898 0.002 -7.157 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.921 -0.561 -7.725 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.556 0.946 -9.193 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.480 -0.413 -9.580 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.626 -0.884 -12.401 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -0.042 -0.375 -11.807 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.601 -3.011 -7.391 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.533 -4.461 -7.331 1.00 0.32 C ATOM 1640 C VAL A 102 -2.836 -5.093 -7.794 1.00 0.38 C ATOM 1641 O VAL A 102 -3.700 -4.424 -8.365 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.216 -4.959 -5.905 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.224 -4.664 -5.547 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.151 -4.325 -4.889 1.00 0.32 C ATOM 0 H VAL A 102 -2.404 -2.609 -6.907 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.726 -4.761 -7.999 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.367 -6.038 -5.884 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.429 -5.022 -4.538 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.885 -5.168 -6.252 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.397 -3.589 -5.592 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.908 -4.692 -3.892 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -2.036 -3.241 -4.915 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.181 -4.586 -5.130 1.00 0.32 H new ATOM 1654 N GLY A 103 -2.972 -6.386 -7.538 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.158 -7.099 -7.947 1.00 0.60 C ATOM 1656 C GLY A 103 -4.017 -7.649 -9.345 1.00 0.69 C ATOM 1657 O GLY A 103 -3.409 -8.701 -9.551 1.00 0.82 O ATOM 0 H GLY A 103 -2.277 -6.953 -7.052 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.351 -7.916 -7.251 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.019 -6.432 -7.902 1.00 0.60 H new ATOM 1661 N SER A 104 -4.563 -6.928 -10.305 1.00 0.69 N ATOM 1662 CA SER A 104 -4.497 -7.331 -11.696 1.00 0.79 C ATOM 1663 C SER A 104 -4.578 -6.102 -12.594 1.00 0.82 C ATOM 1664 O SER A 104 -4.737 -4.984 -12.106 1.00 0.75 O ATOM 1665 CB SER A 104 -5.634 -8.307 -12.005 1.00 0.95 C ATOM 1666 OG SER A 104 -6.891 -7.757 -11.654 1.00 1.63 O ATOM 0 H SER A 104 -5.061 -6.053 -10.145 1.00 0.69 H new ATOM 0 HA SER A 104 -3.549 -7.834 -11.886 1.00 0.79 H new ATOM 0 HB2 SER A 104 -5.626 -8.554 -13.067 1.00 0.95 H new ATOM 0 HB3 SER A 104 -5.476 -9.238 -11.460 1.00 0.95 H new ATOM 0 HG SER A 104 -6.756 -6.920 -11.162 1.00 1.63 H new ATOM 1672 N SER A 105 -4.480 -6.305 -13.899 1.00 0.99 N ATOM 1673 CA SER A 105 -4.581 -5.203 -14.841 1.00 1.12 C ATOM 1674 C SER A 105 -6.041 -4.952 -15.206 1.00 1.19 C ATOM 1675 O SER A 105 -6.422 -3.834 -15.552 1.00 1.31 O ATOM 1676 CB SER A 105 -3.750 -5.494 -16.090 1.00 1.36 C ATOM 1677 OG SER A 105 -2.386 -5.697 -15.747 1.00 1.63 O ATOM 0 H SER A 105 -4.331 -7.219 -14.328 1.00 0.99 H new ATOM 0 HA SER A 105 -4.186 -4.302 -14.372 1.00 1.12 H new ATOM 0 HB2 SER A 105 -4.139 -6.378 -16.594 1.00 1.36 H new ATOM 0 HB3 SER A 105 -3.835 -4.664 -16.791 1.00 1.36 H new ATOM 0 HG SER A 105 -1.869 -5.884 -16.558 1.00 1.63 H new ATOM 1683 N ILE A 106 -6.858 -5.998 -15.119 1.00 1.22 N ATOM 1684 CA ILE A 106 -8.290 -5.860 -15.356 1.00 1.35 C ATOM 1685 C ILE A 106 -8.981 -5.288 -14.120 1.00 1.21 C ATOM 1686 O ILE A 106 -9.936 -4.520 -14.224 1.00 1.38 O ATOM 1687 CB ILE A 106 -8.942 -7.206 -15.750 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -8.684 -8.272 -14.678 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -8.421 -7.666 -17.105 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -9.350 -9.601 -14.966 1.00 2.18 C ATOM 0 H ILE A 106 -6.555 -6.944 -14.888 1.00 1.22 H new ATOM 0 HA ILE A 106 -8.416 -5.172 -16.192 1.00 1.35 H new ATOM 0 HB ILE A 106 -10.020 -7.059 -15.824 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -7.609 -8.427 -14.584 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -9.037 -7.900 -13.716 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -8.887 -8.615 -17.371 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -8.662 -6.918 -17.861 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -7.340 -7.795 -17.054 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -9.122 -10.303 -14.164 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -10.429 -9.461 -15.030 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -8.979 -9.997 -15.911 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.477 -5.656 -12.949 1.00 0.98 N ATOM 1703 CA LYS A 107 -8.990 -5.145 -11.689 1.00 0.86 C ATOM 1704 C LYS A 107 -7.830 -4.632 -10.844 1.00 0.69 C ATOM 1705 O LYS A 107 -7.190 -5.397 -10.114 1.00 0.64 O ATOM 1706 CB LYS A 107 -9.749 -6.244 -10.936 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.409 -5.774 -9.649 1.00 0.89 C ATOM 1708 CD LYS A 107 -10.932 -6.950 -8.840 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.599 -6.498 -7.550 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.940 -5.900 -7.788 1.00 1.41 N ATOM 0 H LYS A 107 -7.704 -6.314 -12.848 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.682 -4.327 -11.889 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.514 -6.658 -11.593 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.057 -7.053 -10.702 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.691 -5.210 -9.054 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.230 -5.097 -9.884 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -11.646 -7.514 -9.440 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.109 -7.625 -8.606 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -11.698 -7.350 -6.877 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -10.962 -5.769 -7.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -13.355 -5.607 -6.881 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -12.845 -5.071 -8.409 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -13.558 -6.603 -8.241 1.00 1.41 H new ATOM 1724 N SER A 108 -7.547 -3.347 -10.973 1.00 0.64 N ATOM 1725 CA SER A 108 -6.445 -2.729 -10.252 1.00 0.52 C ATOM 1726 C SER A 108 -6.895 -2.282 -8.869 1.00 0.44 C ATOM 1727 O SER A 108 -7.937 -1.634 -8.721 1.00 0.46 O ATOM 1728 CB SER A 108 -5.885 -1.536 -11.040 1.00 0.55 C ATOM 1729 OG SER A 108 -6.921 -0.644 -11.439 1.00 1.25 O ATOM 0 H SER A 108 -8.068 -2.708 -11.573 1.00 0.64 H new ATOM 0 HA SER A 108 -5.654 -3.471 -10.137 1.00 0.52 H new ATOM 0 HB2 SER A 108 -5.159 -1.002 -10.427 1.00 0.55 H new ATOM 0 HB3 SER A 108 -5.354 -1.897 -11.921 1.00 0.55 H new ATOM 0 HG SER A 108 -7.609 -0.609 -10.742 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.127 -2.648 -7.858 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.390 -2.203 -6.505 1.00 0.33 C ATOM 1737 C ILE A 109 -5.225 -1.377 -6.004 1.00 0.30 C ATOM 1738 O ILE A 109 -4.066 -1.768 -6.150 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.644 -3.371 -5.530 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.619 -4.485 -5.746 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.061 -3.891 -5.691 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.627 -5.539 -4.663 1.00 0.44 C ATOM 0 H ILE A 109 -5.313 -3.255 -7.952 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.300 -1.603 -6.538 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.530 -3.007 -4.509 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.812 -4.963 -6.706 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.624 -4.044 -5.804 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.227 -4.715 -4.997 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.769 -3.090 -5.479 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.206 -4.242 -6.713 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.874 -6.295 -4.885 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.403 -5.075 -3.702 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.610 -6.008 -4.619 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.536 -0.226 -5.448 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.521 0.671 -4.945 1.00 0.29 C ATOM 1756 C LEU A 110 -4.507 0.616 -3.428 1.00 0.25 C ATOM 1757 O LEU A 110 -5.507 0.910 -2.777 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.801 2.089 -5.440 1.00 0.35 C ATOM 1759 CG LEU A 110 -5.030 2.206 -6.950 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.305 3.647 -7.338 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -3.833 1.661 -7.716 1.00 1.32 C ATOM 0 H LEU A 110 -6.492 0.111 -5.333 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.540 0.368 -5.311 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.680 2.473 -4.922 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -3.963 2.728 -5.163 1.00 0.35 H new ATOM 0 HG LEU A 110 -5.904 1.610 -7.213 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.465 3.710 -8.414 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -6.195 4.000 -6.818 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -4.453 4.267 -7.061 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.014 1.753 -8.787 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -2.941 2.228 -7.449 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.685 0.611 -7.461 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.368 0.250 -2.870 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.277 -0.027 -1.445 1.00 0.23 C ATOM 1775 C LEU A 111 -2.134 0.753 -0.810 1.00 0.24 C ATOM 1776 O LEU A 111 -1.155 1.089 -1.481 1.00 0.22 O ATOM 1777 CB LEU A 111 -3.046 -1.531 -1.233 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.143 -2.449 -1.780 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.727 -3.907 -1.654 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.458 -2.205 -1.052 1.00 0.28 C ATOM 0 H LEU A 111 -2.492 0.137 -3.380 1.00 0.23 H new ATOM 0 HA LEU A 111 -4.210 0.280 -0.973 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -2.100 -1.805 -1.700 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.939 -1.718 -0.164 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.288 -2.221 -2.836 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.518 -4.546 -2.047 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.810 -4.074 -2.220 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.555 -4.147 -0.605 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.225 -2.867 -1.455 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.328 -2.405 0.011 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.764 -1.168 -1.191 1.00 0.28 H new ATOM 1792 N PRO A 112 -2.261 1.091 0.484 1.00 0.29 N ATOM 1793 CA PRO A 112 -1.143 1.605 1.273 1.00 0.32 C ATOM 1794 C PRO A 112 0.015 0.628 1.272 1.00 0.28 C ATOM 1795 O PRO A 112 -0.049 -0.421 1.917 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.721 1.730 2.684 1.00 0.41 C ATOM 1797 CG PRO A 112 -3.182 1.897 2.465 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.505 1.035 1.274 1.00 0.36 C ATOM 0 HA PRO A 112 -0.754 2.545 0.881 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -1.506 0.845 3.282 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.297 2.583 3.214 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.750 1.585 3.342 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.435 2.940 2.276 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.752 0.015 1.568 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -4.357 1.421 0.715 1.00 0.36 H new ATOM 1806 N ILE A 113 1.062 0.965 0.531 1.00 0.27 N ATOM 1807 CA ILE A 113 2.273 0.160 0.507 1.00 0.28 C ATOM 1808 C ILE A 113 2.850 0.069 1.924 1.00 0.26 C ATOM 1809 O ILE A 113 3.596 -0.849 2.256 1.00 0.29 O ATOM 1810 CB ILE A 113 3.307 0.731 -0.498 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.490 -0.222 -0.660 1.00 0.47 C ATOM 1812 CG2 ILE A 113 3.785 2.111 -0.062 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.399 0.139 -1.813 1.00 0.69 C ATOM 0 H ILE A 113 1.096 1.794 -0.063 1.00 0.27 H new ATOM 0 HA ILE A 113 2.028 -0.846 0.165 1.00 0.28 H new ATOM 0 HB ILE A 113 2.815 0.832 -1.465 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.071 -0.228 0.262 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.114 -1.234 -0.807 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.509 2.490 -0.783 1.00 0.36 H new ATOM 0 HG22 ILE A 113 2.935 2.791 -0.010 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.253 2.040 0.920 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.217 -0.579 -1.870 1.00 0.69 H new ATOM 0 HD12 ILE A 113 4.832 0.117 -2.744 1.00 0.69 H new ATOM 0 HD13 ILE A 113 5.804 1.139 -1.658 1.00 0.69 H new ATOM 1825 N GLU A 114 2.466 1.037 2.751 1.00 0.27 N ATOM 1826 CA GLU A 114 2.768 1.038 4.177 1.00 0.34 C ATOM 1827 C GLU A 114 2.258 -0.243 4.867 1.00 0.33 C ATOM 1828 O GLU A 114 2.898 -0.760 5.785 1.00 0.42 O ATOM 1829 CB GLU A 114 2.142 2.291 4.806 1.00 0.38 C ATOM 1830 CG GLU A 114 2.008 2.234 6.315 1.00 0.45 C ATOM 1831 CD GLU A 114 1.513 3.536 6.923 1.00 1.16 C ATOM 1832 OE1 GLU A 114 1.417 4.535 6.180 1.00 1.77 O ATOM 1833 OE2 GLU A 114 1.213 3.566 8.134 1.00 1.74 O ATOM 0 H GLU A 114 1.931 1.850 2.446 1.00 0.27 H new ATOM 0 HA GLU A 114 3.849 1.056 4.315 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.747 3.157 4.540 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.155 2.446 4.371 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.320 1.432 6.582 1.00 0.45 H new ATOM 0 HG3 GLU A 114 2.975 1.982 6.750 1.00 0.45 H new ATOM 1840 N LEU A 115 1.125 -0.764 4.399 1.00 0.27 N ATOM 1841 CA LEU A 115 0.513 -1.960 4.991 1.00 0.31 C ATOM 1842 C LEU A 115 0.868 -3.203 4.193 1.00 0.26 C ATOM 1843 O LEU A 115 0.289 -4.271 4.395 1.00 0.30 O ATOM 1844 CB LEU A 115 -1.012 -1.811 5.033 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.546 -0.659 5.886 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.988 -0.365 5.522 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.448 -0.990 7.364 1.00 0.80 C ATOM 0 H LEU A 115 0.608 -0.378 3.609 1.00 0.27 H new ATOM 0 HA LEU A 115 0.900 -2.065 6.004 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.373 -1.680 4.013 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.439 -2.742 5.406 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.937 0.222 5.686 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.358 0.457 6.135 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -3.048 -0.088 4.470 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.596 -1.252 5.699 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.834 -0.156 7.950 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -2.034 -1.884 7.576 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.406 -1.168 7.629 1.00 0.80 H new ATOM 1859 N CYS A 116 1.814 -3.058 3.286 1.00 0.23 N ATOM 1860 CA CYS A 116 2.258 -4.173 2.477 1.00 0.24 C ATOM 1861 C CYS A 116 3.604 -4.650 2.983 1.00 0.24 C ATOM 1862 O CYS A 116 4.380 -3.864 3.522 1.00 0.37 O ATOM 1863 CB CYS A 116 2.345 -3.758 1.013 1.00 0.25 C ATOM 1864 SG CYS A 116 0.818 -3.022 0.389 1.00 0.28 S ATOM 0 H CYS A 116 2.290 -2.177 3.092 1.00 0.23 H new ATOM 0 HA CYS A 116 1.541 -4.990 2.553 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.160 -3.045 0.892 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.593 -4.631 0.409 1.00 0.25 H new ATOM 0 HG CYS A 116 0.513 -1.981 1.106 1.00 0.28 H new ATOM 1870 N SER A 117 3.872 -5.932 2.839 1.00 0.22 N ATOM 1871 CA SER A 117 5.098 -6.503 3.351 1.00 0.25 C ATOM 1872 C SER A 117 5.709 -7.494 2.357 1.00 0.27 C ATOM 1873 O SER A 117 5.019 -8.326 1.775 1.00 0.35 O ATOM 1874 CB SER A 117 4.809 -7.129 4.718 1.00 0.27 C ATOM 1875 OG SER A 117 5.590 -8.283 4.960 1.00 0.34 O ATOM 0 H SER A 117 3.256 -6.597 2.371 1.00 0.22 H new ATOM 0 HA SER A 117 5.849 -5.724 3.481 1.00 0.25 H new ATOM 0 HB2 SER A 117 5.001 -6.393 5.499 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.752 -7.390 4.779 1.00 0.27 H new ATOM 0 HG SER A 117 5.622 -8.461 5.923 1.00 0.34 H new ATOM 1881 N ILE A 118 7.012 -7.367 2.165 1.00 0.23 N ATOM 1882 CA ILE A 118 7.749 -8.125 1.166 1.00 0.22 C ATOM 1883 C ILE A 118 8.224 -9.468 1.714 1.00 0.24 C ATOM 1884 O ILE A 118 8.624 -9.574 2.873 1.00 0.28 O ATOM 1885 CB ILE A 118 8.970 -7.311 0.677 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.508 -6.050 -0.052 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.876 -8.145 -0.218 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.646 -5.238 -0.625 1.00 0.50 C ATOM 0 H ILE A 118 7.595 -6.727 2.705 1.00 0.23 H new ATOM 0 HA ILE A 118 7.072 -8.316 0.334 1.00 0.22 H new ATOM 0 HB ILE A 118 9.551 -7.020 1.552 1.00 0.24 H new ATOM 0 HG12 ILE A 118 7.831 -6.333 -0.858 1.00 0.41 H new ATOM 0 HG13 ILE A 118 7.939 -5.428 0.639 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.723 -7.541 -0.543 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.239 -9.010 0.337 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.316 -8.482 -1.090 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.247 -4.357 -1.129 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.311 -4.926 0.180 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.202 -5.844 -1.340 1.00 0.50 H new ATOM 1900 N GLU A 119 8.175 -10.488 0.871 1.00 0.35 N ATOM 1901 CA GLU A 119 8.686 -11.799 1.226 1.00 0.49 C ATOM 1902 C GLU A 119 10.150 -11.908 0.801 1.00 0.52 C ATOM 1903 O GLU A 119 10.485 -11.721 -0.368 1.00 0.63 O ATOM 1904 CB GLU A 119 7.848 -12.881 0.550 1.00 0.72 C ATOM 1905 CG GLU A 119 8.210 -14.295 0.971 1.00 1.01 C ATOM 1906 CD GLU A 119 7.357 -15.334 0.278 1.00 1.60 C ATOM 1907 OE1 GLU A 119 6.189 -15.519 0.684 1.00 1.77 O ATOM 1908 OE2 GLU A 119 7.843 -15.965 -0.681 1.00 2.30 O ATOM 0 H GLU A 119 7.784 -10.430 -0.069 1.00 0.35 H new ATOM 0 HA GLU A 119 8.623 -11.937 2.305 1.00 0.49 H new ATOM 0 HB2 GLU A 119 6.796 -12.704 0.774 1.00 0.72 H new ATOM 0 HB3 GLU A 119 7.963 -12.794 -0.530 1.00 0.72 H new ATOM 0 HG2 GLU A 119 9.260 -14.481 0.747 1.00 1.01 H new ATOM 0 HG3 GLU A 119 8.093 -14.392 2.050 1.00 1.01 H new ATOM 1915 N GLU A 120 11.008 -12.222 1.772 1.00 0.67 N ATOM 1916 CA GLU A 120 12.466 -12.234 1.589 1.00 0.86 C ATOM 1917 C GLU A 120 12.923 -13.076 0.394 1.00 1.01 C ATOM 1918 O GLU A 120 13.924 -12.757 -0.244 1.00 1.25 O ATOM 1919 CB GLU A 120 13.138 -12.763 2.857 1.00 1.16 C ATOM 1920 CG GLU A 120 12.608 -14.122 3.293 1.00 1.77 C ATOM 1921 CD GLU A 120 13.492 -14.807 4.309 1.00 2.40 C ATOM 1922 OE1 GLU A 120 14.498 -15.430 3.904 1.00 2.91 O ATOM 1923 OE2 GLU A 120 13.179 -14.752 5.512 1.00 2.64 O ATOM 0 H GLU A 120 10.713 -12.477 2.714 1.00 0.67 H new ATOM 0 HA GLU A 120 12.761 -11.204 1.388 1.00 0.86 H new ATOM 0 HB2 GLU A 120 14.212 -12.836 2.688 1.00 1.16 H new ATOM 0 HB3 GLU A 120 12.991 -12.046 3.665 1.00 1.16 H new ATOM 0 HG2 GLU A 120 11.610 -13.998 3.714 1.00 1.77 H new ATOM 0 HG3 GLU A 120 12.507 -14.763 2.418 1.00 1.77 H new