USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1084 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 27 SER OG : rot -157:sc= 1.18 USER MOD Set 1.2: A 31 SER OG : rot -173:sc= 0.611 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.24) USER MOD Single : A 3 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=-0.088) USER MOD Single : A 4 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 5 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.016) USER MOD Single : A 6 HIS : no HD1:sc= -0.0895 X(o=-0.09,f=-0.096) USER MOD Single : A 7 HIS : no HE2:sc= 0.978 K(o=0.98,f=-5.5!) USER MOD Single : A 13 HIS : no HD1:sc= 0.642 K(o=0.64,f=-4.1!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.161 X(o=-0.16,f=-0.38) USER MOD Single : A 33 MET CE :methyl -168:sc= -2.03 (180deg=-2.52) USER MOD Single : A 41 CYS SG : rot -6:sc= -2.91! USER MOD Single : A 42 SER OG : rot -38:sc= 0.546 USER MOD Single : A 46 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-3!) USER MOD Single : A 47 THR OG1 : rot -81:sc= 0.84 USER MOD Single : A 52 TYR OH : rot -130:sc=-0.00089 USER MOD Single : A 53 SER OG : rot 82:sc= 2.1 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-4.2!) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= -0.104 (180deg=-0.105) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -90:sc= -3.53! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc=-0.000603 (180deg=-0.0674) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 81 THR OG1 : rot -160:sc= 0.0624 USER MOD Single : A 86 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 94 TYR OH : rot -75:sc= 0.0329 USER MOD Single : A 96 GLN : amide:sc= 1.36 K(o=1.4,f=-4.6!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -4.32! C(o=-6!,f=-4.3!) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= 2.42 (180deg=2.21) USER MOD Single : A 117 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.37) USER MOD Single : A 120 THR OG1 : rot 29:sc= 1.38 USER MOD Single : A 123 LYS NZ :NH3+ 175:sc=-0.00393 (180deg=-0.052) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.639 -12.985 -14.861 1.00 33.31 N ATOM 2 CA GLY A 1 -25.520 -12.058 -14.796 1.00 44.20 C ATOM 3 C GLY A 1 -25.028 -11.895 -13.382 1.00 31.01 C ATOM 4 O GLY A 1 -25.733 -11.339 -12.538 1.00 44.11 O ATOM 0 H1 GLY A 1 -26.957 -13.077 -15.847 1.00 33.31 H new ATOM 0 H2 GLY A 1 -26.340 -13.915 -14.505 1.00 33.31 H new ATOM 0 H3 GLY A 1 -27.421 -12.626 -14.277 1.00 33.31 H new ATOM 0 HA2 GLY A 1 -24.708 -12.420 -15.427 1.00 44.20 H new ATOM 0 HA3 GLY A 1 -25.824 -11.089 -15.192 1.00 44.20 H new ATOM 10 N HIS A 2 -23.833 -12.388 -13.112 1.00 3.43 N ATOM 11 CA HIS A 2 -23.245 -12.271 -11.789 1.00 4.21 C ATOM 12 C HIS A 2 -22.802 -10.843 -11.538 1.00 32.10 C ATOM 13 O HIS A 2 -21.811 -10.377 -12.092 1.00 72.11 O ATOM 14 CB HIS A 2 -22.071 -13.288 -11.543 1.00 41.51 C ATOM 15 CG HIS A 2 -20.886 -13.182 -12.488 1.00 15.21 C ATOM 16 ND1 HIS A 2 -19.721 -12.498 -12.187 1.00 72.45 N ATOM 17 CD2 HIS A 2 -20.698 -13.687 -13.726 1.00 64.44 C ATOM 18 CE1 HIS A 2 -18.890 -12.586 -13.202 1.00 1.11 C ATOM 19 NE2 HIS A 2 -19.455 -13.299 -14.143 1.00 14.03 N ATOM 0 H HIS A 2 -23.249 -12.874 -13.792 1.00 3.43 H new ATOM 0 HA HIS A 2 -24.020 -12.533 -11.069 1.00 4.21 H new ATOM 0 HB2 HIS A 2 -21.710 -13.155 -10.523 1.00 41.51 H new ATOM 0 HB3 HIS A 2 -22.473 -14.299 -11.609 1.00 41.51 H new ATOM 0 HD2 HIS A 2 -21.401 -14.287 -14.285 1.00 64.44 H new ATOM 0 HE1 HIS A 2 -17.906 -12.144 -13.251 1.00 1.11 H new ATOM 0 HE2 HIS A 2 -19.035 -13.529 -15.044 1.00 14.03 H new ATOM 28 N HIS A 3 -23.546 -10.142 -10.741 1.00 70.41 N ATOM 29 CA HIS A 3 -23.203 -8.781 -10.432 1.00 2.01 C ATOM 30 C HIS A 3 -22.708 -8.676 -8.999 1.00 52.12 C ATOM 31 O HIS A 3 -23.486 -8.619 -8.045 1.00 52.31 O ATOM 32 CB HIS A 3 -24.346 -7.773 -10.766 1.00 32.03 C ATOM 33 CG HIS A 3 -25.638 -7.947 -10.011 1.00 12.54 C ATOM 34 ND1 HIS A 3 -26.066 -7.062 -9.051 1.00 43.33 N ATOM 35 CD2 HIS A 3 -26.601 -8.894 -10.096 1.00 53.34 C ATOM 36 CE1 HIS A 3 -27.226 -7.452 -8.577 1.00 32.24 C ATOM 37 NE2 HIS A 3 -27.577 -8.563 -9.193 1.00 51.54 N ATOM 0 H HIS A 3 -24.395 -10.485 -10.291 1.00 70.41 H new ATOM 0 HA HIS A 3 -22.382 -8.486 -11.086 1.00 2.01 H new ATOM 0 HB2 HIS A 3 -23.976 -6.764 -10.581 1.00 32.03 H new ATOM 0 HB3 HIS A 3 -24.562 -7.843 -11.832 1.00 32.03 H new ATOM 0 HD2 HIS A 3 -26.600 -9.751 -10.753 1.00 53.34 H new ATOM 0 HE1 HIS A 3 -27.797 -6.948 -7.811 1.00 32.24 H new ATOM 0 HE2 HIS A 3 -28.434 -9.090 -9.025 1.00 51.54 H new ATOM 46 N HIS A 4 -21.409 -8.718 -8.855 1.00 34.44 N ATOM 47 CA HIS A 4 -20.780 -8.674 -7.559 1.00 75.03 C ATOM 48 C HIS A 4 -19.738 -7.550 -7.534 1.00 14.52 C ATOM 49 O HIS A 4 -18.864 -7.501 -6.671 1.00 50.14 O ATOM 50 CB HIS A 4 -20.160 -10.063 -7.237 1.00 63.10 C ATOM 51 CG HIS A 4 -19.531 -10.192 -5.864 1.00 74.03 C ATOM 52 ND1 HIS A 4 -18.336 -10.837 -5.639 1.00 24.43 N ATOM 53 CD2 HIS A 4 -19.952 -9.765 -4.651 1.00 34.31 C ATOM 54 CE1 HIS A 4 -18.046 -10.797 -4.360 1.00 11.43 C ATOM 55 NE2 HIS A 4 -19.007 -10.154 -3.737 1.00 22.42 N ATOM 0 H HIS A 4 -20.755 -8.784 -9.635 1.00 34.44 H new ATOM 0 HA HIS A 4 -21.516 -8.456 -6.785 1.00 75.03 H new ATOM 0 HB2 HIS A 4 -20.938 -10.820 -7.334 1.00 63.10 H new ATOM 0 HB3 HIS A 4 -19.402 -10.286 -7.988 1.00 63.10 H new ATOM 0 HD2 HIS A 4 -20.861 -9.220 -4.442 1.00 34.31 H new ATOM 0 HE1 HIS A 4 -17.167 -11.221 -3.898 1.00 11.43 H new ATOM 0 HE2 HIS A 4 -19.044 -9.973 -2.734 1.00 22.42 H new ATOM 64 N HIS A 5 -19.844 -6.635 -8.466 1.00 41.21 N ATOM 65 CA HIS A 5 -18.963 -5.494 -8.456 1.00 22.23 C ATOM 66 C HIS A 5 -19.709 -4.261 -8.000 1.00 25.50 C ATOM 67 O HIS A 5 -20.138 -3.424 -8.784 1.00 20.50 O ATOM 68 CB HIS A 5 -18.124 -5.288 -9.761 1.00 41.33 C ATOM 69 CG HIS A 5 -18.886 -5.107 -11.055 1.00 52.43 C ATOM 70 ND1 HIS A 5 -18.998 -6.096 -11.998 1.00 1.34 N ATOM 71 CD2 HIS A 5 -19.521 -4.030 -11.580 1.00 55.33 C ATOM 72 CE1 HIS A 5 -19.665 -5.643 -13.037 1.00 44.31 C ATOM 73 NE2 HIS A 5 -19.992 -4.394 -12.807 1.00 75.15 N ATOM 0 H HIS A 5 -20.520 -6.656 -9.229 1.00 41.21 H new ATOM 0 HA HIS A 5 -18.187 -5.707 -7.720 1.00 22.23 H new ATOM 0 HB2 HIS A 5 -17.489 -4.414 -9.619 1.00 41.33 H new ATOM 0 HB3 HIS A 5 -17.463 -6.147 -9.876 1.00 41.33 H new ATOM 0 HD2 HIS A 5 -19.633 -3.063 -11.113 1.00 55.33 H new ATOM 0 HE1 HIS A 5 -19.903 -6.204 -13.928 1.00 44.31 H new ATOM 0 HE2 HIS A 5 -20.514 -3.792 -13.443 1.00 75.15 H new ATOM 82 N HIS A 6 -19.930 -4.203 -6.716 1.00 72.53 N ATOM 83 CA HIS A 6 -20.693 -3.135 -6.133 1.00 4.43 C ATOM 84 C HIS A 6 -19.759 -2.101 -5.520 1.00 0.13 C ATOM 85 O HIS A 6 -20.194 -1.040 -5.055 1.00 51.14 O ATOM 86 CB HIS A 6 -21.679 -3.702 -5.086 1.00 72.13 C ATOM 87 CG HIS A 6 -22.611 -2.682 -4.494 1.00 63.23 C ATOM 88 ND1 HIS A 6 -22.551 -2.271 -3.178 1.00 55.32 N ATOM 89 CD2 HIS A 6 -23.634 -1.996 -5.052 1.00 21.55 C ATOM 90 CE1 HIS A 6 -23.494 -1.372 -2.960 1.00 43.42 C ATOM 91 NE2 HIS A 6 -24.158 -1.191 -4.078 1.00 14.30 N ATOM 0 H HIS A 6 -19.588 -4.892 -6.046 1.00 72.53 H new ATOM 0 HA HIS A 6 -21.276 -2.639 -6.909 1.00 4.43 H new ATOM 0 HB2 HIS A 6 -22.271 -4.490 -5.552 1.00 72.13 H new ATOM 0 HB3 HIS A 6 -21.108 -4.165 -4.281 1.00 72.13 H new ATOM 0 HD2 HIS A 6 -23.974 -2.070 -6.075 1.00 21.55 H new ATOM 0 HE1 HIS A 6 -23.686 -0.871 -2.022 1.00 43.42 H new ATOM 0 HE2 HIS A 6 -24.942 -0.550 -4.201 1.00 14.30 H new ATOM 100 N HIS A 7 -18.477 -2.396 -5.517 1.00 64.41 N ATOM 101 CA HIS A 7 -17.518 -1.458 -4.990 1.00 65.03 C ATOM 102 C HIS A 7 -17.104 -0.486 -6.064 1.00 64.32 C ATOM 103 O HIS A 7 -16.208 -0.759 -6.852 1.00 44.25 O ATOM 104 CB HIS A 7 -16.263 -2.124 -4.383 1.00 60.22 C ATOM 105 CG HIS A 7 -16.516 -3.052 -3.236 1.00 4.24 C ATOM 106 ND1 HIS A 7 -15.745 -4.159 -2.991 1.00 61.44 N ATOM 107 CD2 HIS A 7 -17.432 -3.014 -2.246 1.00 73.51 C ATOM 108 CE1 HIS A 7 -16.173 -4.767 -1.905 1.00 71.25 C ATOM 109 NE2 HIS A 7 -17.197 -4.092 -1.431 1.00 32.25 N ATOM 0 H HIS A 7 -18.081 -3.267 -5.869 1.00 64.41 H new ATOM 0 HA HIS A 7 -18.020 -0.938 -4.174 1.00 65.03 H new ATOM 0 HB2 HIS A 7 -15.751 -2.678 -5.170 1.00 60.22 H new ATOM 0 HB3 HIS A 7 -15.582 -1.340 -4.050 1.00 60.22 H new ATOM 0 HD1 HIS A 7 -14.959 -4.465 -3.564 1.00 61.44 H new ATOM 0 HD2 HIS A 7 -18.207 -2.272 -2.119 1.00 73.51 H new ATOM 0 HE1 HIS A 7 -15.755 -5.666 -1.477 1.00 71.25 H new ATOM 118 N LEU A 8 -17.810 0.597 -6.149 1.00 2.32 N ATOM 119 CA LEU A 8 -17.433 1.667 -7.028 1.00 62.21 C ATOM 120 C LEU A 8 -16.600 2.624 -6.230 1.00 62.02 C ATOM 121 O LEU A 8 -16.625 2.558 -4.990 1.00 1.35 O ATOM 122 CB LEU A 8 -18.649 2.373 -7.681 1.00 64.42 C ATOM 123 CG LEU A 8 -19.424 1.588 -8.777 1.00 3.12 C ATOM 124 CD1 LEU A 8 -20.102 0.339 -8.238 1.00 30.21 C ATOM 125 CD2 LEU A 8 -20.433 2.489 -9.474 1.00 32.15 C ATOM 0 H LEU A 8 -18.662 0.768 -5.615 1.00 2.32 H new ATOM 0 HA LEU A 8 -16.864 1.264 -7.866 1.00 62.21 H new ATOM 0 HB2 LEU A 8 -19.353 2.633 -6.890 1.00 64.42 H new ATOM 0 HB3 LEU A 8 -18.301 3.309 -8.118 1.00 64.42 H new ATOM 0 HG LEU A 8 -18.685 1.255 -9.505 1.00 3.12 H new ATOM 0 HD11 LEU A 8 -20.627 -0.168 -9.047 1.00 30.21 H new ATOM 0 HD12 LEU A 8 -19.351 -0.330 -7.818 1.00 30.21 H new ATOM 0 HD13 LEU A 8 -20.815 0.618 -7.462 1.00 30.21 H new ATOM 0 HD21 LEU A 8 -20.964 1.919 -10.237 1.00 32.15 H new ATOM 0 HD22 LEU A 8 -21.147 2.870 -8.743 1.00 32.15 H new ATOM 0 HD23 LEU A 8 -19.912 3.325 -9.942 1.00 32.15 H new ATOM 137 N GLU A 9 -15.883 3.499 -6.899 1.00 4.33 N ATOM 138 CA GLU A 9 -14.939 4.396 -6.249 1.00 32.23 C ATOM 139 C GLU A 9 -13.783 3.597 -5.667 1.00 72.02 C ATOM 140 O GLU A 9 -13.776 3.211 -4.484 1.00 70.00 O ATOM 141 CB GLU A 9 -15.608 5.319 -5.218 1.00 24.22 C ATOM 142 CG GLU A 9 -16.607 6.277 -5.839 1.00 55.13 C ATOM 143 CD GLU A 9 -17.350 7.086 -4.825 1.00 33.25 C ATOM 144 OE1 GLU A 9 -16.760 7.992 -4.214 1.00 42.35 O ATOM 145 OE2 GLU A 9 -18.557 6.833 -4.626 1.00 43.45 O ATOM 0 H GLU A 9 -15.934 3.613 -7.911 1.00 4.33 H new ATOM 0 HA GLU A 9 -14.536 5.070 -7.005 1.00 32.23 H new ATOM 0 HB2 GLU A 9 -16.114 4.711 -4.469 1.00 24.22 H new ATOM 0 HB3 GLU A 9 -14.839 5.891 -4.698 1.00 24.22 H new ATOM 0 HG2 GLU A 9 -16.083 6.949 -6.519 1.00 55.13 H new ATOM 0 HG3 GLU A 9 -17.321 5.711 -6.438 1.00 55.13 H new ATOM 152 N LEU A 10 -12.867 3.272 -6.541 1.00 10.33 N ATOM 153 CA LEU A 10 -11.699 2.496 -6.222 1.00 73.31 C ATOM 154 C LEU A 10 -10.470 3.301 -6.592 1.00 32.40 C ATOM 155 O LEU A 10 -10.181 3.483 -7.774 1.00 42.44 O ATOM 156 CB LEU A 10 -11.696 1.191 -7.046 1.00 72.14 C ATOM 157 CG LEU A 10 -12.874 0.221 -6.852 1.00 43.30 C ATOM 158 CD1 LEU A 10 -12.797 -0.905 -7.869 1.00 22.24 C ATOM 159 CD2 LEU A 10 -12.873 -0.363 -5.450 1.00 74.14 C ATOM 0 H LEU A 10 -12.915 3.548 -7.522 1.00 10.33 H new ATOM 0 HA LEU A 10 -11.700 2.256 -5.159 1.00 73.31 H new ATOM 0 HB2 LEU A 10 -11.654 1.461 -8.101 1.00 72.14 H new ATOM 0 HB3 LEU A 10 -10.776 0.652 -6.818 1.00 72.14 H new ATOM 0 HG LEU A 10 -13.798 0.781 -6.996 1.00 43.30 H new ATOM 0 HD11 LEU A 10 -13.636 -1.586 -7.722 1.00 22.24 H new ATOM 0 HD12 LEU A 10 -12.839 -0.489 -8.876 1.00 22.24 H new ATOM 0 HD13 LEU A 10 -11.861 -1.449 -7.739 1.00 22.24 H new ATOM 0 HD21 LEU A 10 -13.716 -1.045 -5.339 1.00 74.14 H new ATOM 0 HD22 LEU A 10 -11.943 -0.906 -5.283 1.00 74.14 H new ATOM 0 HD23 LEU A 10 -12.960 0.442 -4.720 1.00 74.14 H new ATOM 171 N GLU A 11 -9.770 3.805 -5.619 1.00 44.42 N ATOM 172 CA GLU A 11 -8.566 4.565 -5.881 1.00 72.03 C ATOM 173 C GLU A 11 -7.479 4.134 -4.969 1.00 21.52 C ATOM 174 O GLU A 11 -7.595 4.244 -3.767 1.00 60.24 O ATOM 175 CB GLU A 11 -8.761 6.070 -5.716 1.00 61.43 C ATOM 176 CG GLU A 11 -9.764 6.692 -6.640 1.00 11.00 C ATOM 177 CD GLU A 11 -9.729 8.193 -6.564 1.00 32.41 C ATOM 178 OE1 GLU A 11 -8.876 8.806 -7.265 1.00 63.45 O ATOM 179 OE2 GLU A 11 -10.518 8.794 -5.801 1.00 45.35 O ATOM 0 H GLU A 11 -10.006 3.708 -4.631 1.00 44.42 H new ATOM 0 HA GLU A 11 -8.306 4.369 -6.921 1.00 72.03 H new ATOM 0 HB2 GLU A 11 -9.066 6.270 -4.689 1.00 61.43 H new ATOM 0 HB3 GLU A 11 -7.800 6.563 -5.865 1.00 61.43 H new ATOM 0 HG2 GLU A 11 -9.563 6.374 -7.663 1.00 11.00 H new ATOM 0 HG3 GLU A 11 -10.763 6.337 -6.386 1.00 11.00 H new ATOM 186 N VAL A 12 -6.434 3.644 -5.504 1.00 43.40 N ATOM 187 CA VAL A 12 -5.356 3.262 -4.674 1.00 13.22 C ATOM 188 C VAL A 12 -4.235 4.228 -4.943 1.00 15.04 C ATOM 189 O VAL A 12 -3.816 4.385 -6.087 1.00 34.03 O ATOM 190 CB VAL A 12 -4.890 1.831 -4.940 1.00 73.54 C ATOM 191 CG1 VAL A 12 -4.016 1.357 -3.807 1.00 41.31 C ATOM 192 CG2 VAL A 12 -6.060 0.897 -5.139 1.00 63.30 C ATOM 0 H VAL A 12 -6.297 3.496 -6.504 1.00 43.40 H new ATOM 0 HA VAL A 12 -5.675 3.288 -3.632 1.00 13.22 H new ATOM 0 HB VAL A 12 -4.309 1.827 -5.862 1.00 73.54 H new ATOM 0 HG11 VAL A 12 -3.688 0.336 -4.003 1.00 41.31 H new ATOM 0 HG12 VAL A 12 -3.146 2.008 -3.722 1.00 41.31 H new ATOM 0 HG13 VAL A 12 -4.582 1.383 -2.876 1.00 41.31 H new ATOM 0 HG21 VAL A 12 -5.692 -0.112 -5.326 1.00 63.30 H new ATOM 0 HG22 VAL A 12 -6.682 0.897 -4.244 1.00 63.30 H new ATOM 0 HG23 VAL A 12 -6.652 1.231 -5.991 1.00 63.30 H new ATOM 202 N HIS A 13 -3.782 4.903 -3.929 1.00 44.14 N ATOM 203 CA HIS A 13 -2.759 5.905 -4.114 1.00 25.11 C ATOM 204 C HIS A 13 -1.902 6.010 -2.882 1.00 5.35 C ATOM 205 O HIS A 13 -2.266 5.498 -1.831 1.00 10.42 O ATOM 206 CB HIS A 13 -3.386 7.284 -4.447 1.00 33.32 C ATOM 207 CG HIS A 13 -4.201 7.905 -3.344 1.00 61.43 C ATOM 208 ND1 HIS A 13 -3.843 9.075 -2.723 1.00 41.30 N ATOM 209 CD2 HIS A 13 -5.368 7.525 -2.771 1.00 72.02 C ATOM 210 CE1 HIS A 13 -4.740 9.386 -1.821 1.00 74.22 C ATOM 211 NE2 HIS A 13 -5.675 8.467 -1.828 1.00 22.51 N ATOM 0 H HIS A 13 -4.099 4.784 -2.967 1.00 44.14 H new ATOM 0 HA HIS A 13 -2.136 5.601 -4.955 1.00 25.11 H new ATOM 0 HB2 HIS A 13 -2.585 7.973 -4.716 1.00 33.32 H new ATOM 0 HB3 HIS A 13 -4.020 7.173 -5.326 1.00 33.32 H new ATOM 0 HD2 HIS A 13 -5.946 6.645 -3.013 1.00 72.02 H new ATOM 0 HE1 HIS A 13 -4.714 10.254 -1.179 1.00 74.22 H new ATOM 0 HE2 HIS A 13 -6.499 8.456 -1.227 1.00 22.51 H new ATOM 220 N ILE A 14 -0.790 6.669 -2.999 1.00 1.32 N ATOM 221 CA ILE A 14 0.082 6.880 -1.870 1.00 61.41 C ATOM 222 C ILE A 14 0.092 8.387 -1.534 1.00 34.43 C ATOM 223 O ILE A 14 0.862 9.146 -2.105 1.00 34.45 O ATOM 224 CB ILE A 14 1.529 6.349 -2.165 1.00 11.21 C ATOM 225 CG1 ILE A 14 1.463 4.863 -2.568 1.00 14.03 C ATOM 226 CG2 ILE A 14 2.434 6.513 -0.949 1.00 3.22 C ATOM 227 CD1 ILE A 14 2.811 4.236 -2.870 1.00 63.21 C ATOM 0 H ILE A 14 -0.457 7.076 -3.873 1.00 1.32 H new ATOM 0 HA ILE A 14 -0.287 6.320 -1.011 1.00 61.41 H new ATOM 0 HB ILE A 14 1.949 6.935 -2.983 1.00 11.21 H new ATOM 0 HG12 ILE A 14 0.987 4.302 -1.764 1.00 14.03 H new ATOM 0 HG13 ILE A 14 0.825 4.765 -3.447 1.00 14.03 H new ATOM 0 HG21 ILE A 14 3.430 6.137 -1.183 1.00 3.22 H new ATOM 0 HG22 ILE A 14 2.498 7.568 -0.683 1.00 3.22 H new ATOM 0 HG23 ILE A 14 2.022 5.952 -0.110 1.00 3.22 H new ATOM 0 HD11 ILE A 14 2.673 3.190 -3.145 1.00 63.21 H new ATOM 0 HD12 ILE A 14 3.283 4.769 -3.695 1.00 63.21 H new ATOM 0 HD13 ILE A 14 3.447 4.298 -1.987 1.00 63.21 H new ATOM 239 N PRO A 15 -0.817 8.837 -0.621 1.00 61.52 N ATOM 240 CA PRO A 15 -1.032 10.272 -0.332 1.00 4.33 C ATOM 241 C PRO A 15 0.170 11.001 0.262 1.00 1.33 C ATOM 242 O PRO A 15 0.340 12.210 0.036 1.00 31.11 O ATOM 243 CB PRO A 15 -2.191 10.270 0.672 1.00 12.55 C ATOM 244 CG PRO A 15 -2.181 8.911 1.270 1.00 10.53 C ATOM 245 CD PRO A 15 -1.707 7.987 0.194 1.00 34.23 C ATOM 0 HA PRO A 15 -1.226 10.811 -1.259 1.00 4.33 H new ATOM 0 HB2 PRO A 15 -2.054 11.037 1.434 1.00 12.55 H new ATOM 0 HB3 PRO A 15 -3.141 10.477 0.179 1.00 12.55 H new ATOM 0 HG2 PRO A 15 -1.521 8.871 2.136 1.00 10.53 H new ATOM 0 HG3 PRO A 15 -3.176 8.630 1.615 1.00 10.53 H new ATOM 0 HD2 PRO A 15 -1.176 7.129 0.607 1.00 34.23 H new ATOM 0 HD3 PRO A 15 -2.537 7.595 -0.394 1.00 34.23 H new ATOM 253 N SER A 16 0.990 10.303 1.012 1.00 65.31 N ATOM 254 CA SER A 16 2.139 10.921 1.635 1.00 51.45 C ATOM 255 C SER A 16 3.250 9.909 1.850 1.00 62.40 C ATOM 256 O SER A 16 2.987 8.707 2.066 1.00 62.23 O ATOM 257 CB SER A 16 1.745 11.549 2.988 1.00 74.35 C ATOM 258 OG SER A 16 0.732 12.538 2.829 1.00 42.34 O ATOM 0 H SER A 16 0.884 9.307 1.206 1.00 65.31 H new ATOM 0 HA SER A 16 2.501 11.702 0.967 1.00 51.45 H new ATOM 0 HB2 SER A 16 1.391 10.770 3.663 1.00 74.35 H new ATOM 0 HB3 SER A 16 2.623 11.998 3.452 1.00 74.35 H new ATOM 0 HG SER A 16 0.503 12.916 3.704 1.00 42.34 H new ATOM 264 N VAL A 17 4.478 10.377 1.772 1.00 41.13 N ATOM 265 CA VAL A 17 5.643 9.575 2.040 1.00 63.04 C ATOM 266 C VAL A 17 6.642 10.448 2.762 1.00 13.24 C ATOM 267 O VAL A 17 6.802 11.618 2.416 1.00 1.32 O ATOM 268 CB VAL A 17 6.345 9.041 0.764 1.00 12.44 C ATOM 269 CG1 VAL A 17 7.435 8.060 1.160 1.00 13.41 C ATOM 270 CG2 VAL A 17 5.371 8.408 -0.215 1.00 35.44 C ATOM 0 H VAL A 17 4.693 11.341 1.516 1.00 41.13 H new ATOM 0 HA VAL A 17 5.311 8.713 2.619 1.00 63.04 H new ATOM 0 HB VAL A 17 6.790 9.890 0.245 1.00 12.44 H new ATOM 0 HG11 VAL A 17 7.929 7.684 0.264 1.00 13.41 H new ATOM 0 HG12 VAL A 17 8.166 8.564 1.793 1.00 13.41 H new ATOM 0 HG13 VAL A 17 6.994 7.227 1.708 1.00 13.41 H new ATOM 0 HG21 VAL A 17 5.915 8.051 -1.090 1.00 35.44 H new ATOM 0 HG22 VAL A 17 4.866 7.570 0.265 1.00 35.44 H new ATOM 0 HG23 VAL A 17 4.633 9.148 -0.524 1.00 35.44 H new ATOM 280 N GLY A 18 7.296 9.895 3.732 1.00 13.02 N ATOM 281 CA GLY A 18 8.262 10.626 4.481 1.00 65.30 C ATOM 282 C GLY A 18 9.201 9.682 5.161 1.00 73.44 C ATOM 283 O GLY A 18 8.913 8.495 5.226 1.00 42.20 O ATOM 0 H GLY A 18 7.175 8.926 4.026 1.00 13.02 H new ATOM 0 HA2 GLY A 18 8.817 11.293 3.821 1.00 65.30 H new ATOM 0 HA3 GLY A 18 7.763 11.252 5.221 1.00 65.30 H new ATOM 287 N PRO A 19 10.356 10.130 5.604 1.00 13.25 N ATOM 288 CA PRO A 19 11.242 9.296 6.381 1.00 2.30 C ATOM 289 C PRO A 19 10.731 9.210 7.814 1.00 15.24 C ATOM 290 O PRO A 19 10.731 10.218 8.534 1.00 45.31 O ATOM 291 CB PRO A 19 12.589 10.025 6.336 1.00 64.24 C ATOM 292 CG PRO A 19 12.382 11.230 5.470 1.00 71.31 C ATOM 293 CD PRO A 19 10.904 11.463 5.389 1.00 42.12 C ATOM 0 HA PRO A 19 11.313 8.277 6.000 1.00 2.30 H new ATOM 0 HB2 PRO A 19 12.909 10.315 7.337 1.00 64.24 H new ATOM 0 HB3 PRO A 19 13.367 9.381 5.927 1.00 64.24 H new ATOM 0 HG2 PRO A 19 12.887 12.099 5.892 1.00 71.31 H new ATOM 0 HG3 PRO A 19 12.802 11.068 4.477 1.00 71.31 H new ATOM 0 HD2 PRO A 19 10.563 12.168 6.147 1.00 42.12 H new ATOM 0 HD3 PRO A 19 10.611 11.870 4.421 1.00 42.12 H new ATOM 301 N GLU A 20 10.256 8.025 8.211 1.00 71.05 N ATOM 302 CA GLU A 20 9.662 7.826 9.536 1.00 42.32 C ATOM 303 C GLU A 20 10.721 8.133 10.587 1.00 12.34 C ATOM 304 O GLU A 20 10.594 9.083 11.367 1.00 44.32 O ATOM 305 CB GLU A 20 9.166 6.361 9.668 1.00 5.51 C ATOM 306 CG GLU A 20 8.105 6.083 10.758 1.00 41.33 C ATOM 307 CD GLU A 20 8.536 6.383 12.174 1.00 25.21 C ATOM 308 OE1 GLU A 20 9.078 5.482 12.853 1.00 31.23 O ATOM 309 OE2 GLU A 20 8.306 7.508 12.641 1.00 15.22 O ATOM 0 H GLU A 20 10.272 7.186 7.631 1.00 71.05 H new ATOM 0 HA GLU A 20 8.808 8.489 9.677 1.00 42.32 H new ATOM 0 HB2 GLU A 20 8.755 6.053 8.707 1.00 5.51 H new ATOM 0 HB3 GLU A 20 10.030 5.726 9.864 1.00 5.51 H new ATOM 0 HG2 GLU A 20 7.216 6.673 10.534 1.00 41.33 H new ATOM 0 HG3 GLU A 20 7.815 5.034 10.699 1.00 41.33 H new ATOM 316 N ALA A 21 11.767 7.358 10.579 1.00 75.25 N ATOM 317 CA ALA A 21 12.856 7.563 11.504 1.00 74.03 C ATOM 318 C ALA A 21 14.185 7.574 10.781 1.00 32.22 C ATOM 319 O ALA A 21 14.394 6.810 9.839 1.00 24.11 O ATOM 320 CB ALA A 21 12.846 6.503 12.589 1.00 34.14 C ATOM 0 H ALA A 21 11.894 6.573 9.940 1.00 75.25 H new ATOM 0 HA ALA A 21 12.719 8.536 11.975 1.00 74.03 H new ATOM 0 HB1 ALA A 21 13.675 6.677 13.275 1.00 34.14 H new ATOM 0 HB2 ALA A 21 11.905 6.552 13.137 1.00 34.14 H new ATOM 0 HB3 ALA A 21 12.951 5.517 12.136 1.00 34.14 H new ATOM 326 N GLU A 22 15.073 8.442 11.202 1.00 73.51 N ATOM 327 CA GLU A 22 16.388 8.494 10.620 1.00 31.22 C ATOM 328 C GLU A 22 17.260 7.384 11.186 1.00 75.11 C ATOM 329 O GLU A 22 17.682 7.431 12.346 1.00 75.04 O ATOM 330 CB GLU A 22 17.038 9.854 10.872 1.00 11.03 C ATOM 331 CG GLU A 22 16.398 11.024 10.134 1.00 51.24 C ATOM 332 CD GLU A 22 16.518 10.897 8.629 1.00 61.24 C ATOM 333 OE1 GLU A 22 17.633 10.623 8.137 1.00 40.34 O ATOM 334 OE2 GLU A 22 15.507 11.066 7.912 1.00 14.54 O ATOM 0 H GLU A 22 14.907 9.121 11.945 1.00 73.51 H new ATOM 0 HA GLU A 22 16.291 8.352 9.544 1.00 31.22 H new ATOM 0 HB2 GLU A 22 17.009 10.060 11.942 1.00 11.03 H new ATOM 0 HB3 GLU A 22 18.088 9.796 10.587 1.00 11.03 H new ATOM 0 HG2 GLU A 22 15.345 11.089 10.407 1.00 51.24 H new ATOM 0 HG3 GLU A 22 16.869 11.953 10.456 1.00 51.24 H new ATOM 341 N GLY A 23 17.512 6.397 10.359 1.00 52.21 N ATOM 342 CA GLY A 23 18.360 5.274 10.713 1.00 45.14 C ATOM 343 C GLY A 23 17.832 4.418 11.870 1.00 73.32 C ATOM 344 O GLY A 23 18.264 4.572 13.018 1.00 2.25 O ATOM 0 H GLY A 23 17.133 6.347 9.413 1.00 52.21 H new ATOM 0 HA2 GLY A 23 18.485 4.639 9.836 1.00 45.14 H new ATOM 0 HA3 GLY A 23 19.348 5.650 10.978 1.00 45.14 H new ATOM 348 N PRO A 24 16.888 3.526 11.600 1.00 53.52 N ATOM 349 CA PRO A 24 16.423 2.554 12.575 1.00 0.24 C ATOM 350 C PRO A 24 17.315 1.294 12.547 1.00 25.14 C ATOM 351 O PRO A 24 18.446 1.341 12.039 1.00 33.02 O ATOM 352 CB PRO A 24 15.020 2.236 12.078 1.00 73.32 C ATOM 353 CG PRO A 24 15.093 2.398 10.611 1.00 64.23 C ATOM 354 CD PRO A 24 16.159 3.420 10.334 1.00 75.42 C ATOM 0 HA PRO A 24 16.447 2.915 13.603 1.00 0.24 H new ATOM 0 HB2 PRO A 24 14.724 1.223 12.350 1.00 73.32 H new ATOM 0 HB3 PRO A 24 14.283 2.911 12.514 1.00 73.32 H new ATOM 0 HG2 PRO A 24 15.333 1.450 10.130 1.00 64.23 H new ATOM 0 HG3 PRO A 24 14.133 2.724 10.211 1.00 64.23 H new ATOM 0 HD2 PRO A 24 16.814 3.103 9.522 1.00 75.42 H new ATOM 0 HD3 PRO A 24 15.727 4.377 10.041 1.00 75.42 H new ATOM 362 N ARG A 25 16.816 0.180 13.072 1.00 41.13 N ATOM 363 CA ARG A 25 17.578 -1.065 13.102 1.00 70.45 C ATOM 364 C ARG A 25 17.746 -1.607 11.666 1.00 70.32 C ATOM 365 O ARG A 25 17.054 -1.134 10.739 1.00 1.04 O ATOM 366 CB ARG A 25 16.890 -2.076 14.048 1.00 54.42 C ATOM 367 CG ARG A 25 17.623 -3.398 14.268 1.00 53.22 C ATOM 368 CD ARG A 25 16.886 -4.250 15.281 1.00 64.13 C ATOM 369 NE ARG A 25 17.513 -5.558 15.492 1.00 25.32 N ATOM 370 CZ ARG A 25 17.310 -6.325 16.578 1.00 74.13 C ATOM 371 NH1 ARG A 25 16.645 -5.836 17.634 1.00 54.33 N ATOM 372 NH2 ARG A 25 17.802 -7.556 16.624 1.00 23.13 N ATOM 0 H ARG A 25 15.885 0.113 13.484 1.00 41.13 H new ATOM 0 HA ARG A 25 18.578 -0.888 13.497 1.00 70.45 H new ATOM 0 HB2 ARG A 25 16.748 -1.597 15.017 1.00 54.42 H new ATOM 0 HB3 ARG A 25 15.898 -2.295 13.653 1.00 54.42 H new ATOM 0 HG2 ARG A 25 17.707 -3.936 13.324 1.00 53.22 H new ATOM 0 HG3 ARG A 25 18.638 -3.205 14.616 1.00 53.22 H new ATOM 0 HD2 ARG A 25 16.840 -3.718 16.231 1.00 64.13 H new ATOM 0 HD3 ARG A 25 15.859 -4.395 14.947 1.00 64.13 H new ATOM 0 HE ARG A 25 18.143 -5.908 14.770 1.00 25.32 H new ATOM 0 HH11 ARG A 25 16.291 -4.880 17.616 1.00 54.33 H new ATOM 0 HH12 ARG A 25 16.493 -6.420 18.456 1.00 54.33 H new ATOM 0 HH21 ARG A 25 18.335 -7.922 15.835 1.00 23.13 H new ATOM 0 HH22 ARG A 25 17.647 -8.137 17.448 1.00 23.13 H new ATOM 386 N GLN A 26 18.648 -2.579 11.489 1.00 70.22 N ATOM 387 CA GLN A 26 19.007 -3.109 10.175 1.00 55.02 C ATOM 388 C GLN A 26 17.798 -3.473 9.326 1.00 40.04 C ATOM 389 O GLN A 26 16.997 -4.354 9.662 1.00 33.03 O ATOM 390 CB GLN A 26 19.941 -4.312 10.301 1.00 30.42 C ATOM 391 CG GLN A 26 20.357 -4.898 8.956 1.00 70.11 C ATOM 392 CD GLN A 26 21.280 -6.081 9.091 1.00 61.20 C ATOM 393 OE1 GLN A 26 20.839 -7.227 9.169 1.00 4.02 O ATOM 394 NE2 GLN A 26 22.556 -5.824 9.112 1.00 74.21 N ATOM 0 H GLN A 26 19.150 -3.020 12.259 1.00 70.22 H new ATOM 0 HA GLN A 26 19.529 -2.302 9.660 1.00 55.02 H new ATOM 0 HB2 GLN A 26 20.834 -4.014 10.851 1.00 30.42 H new ATOM 0 HB3 GLN A 26 19.448 -5.086 10.889 1.00 30.42 H new ATOM 0 HG2 GLN A 26 19.466 -5.200 8.406 1.00 70.11 H new ATOM 0 HG3 GLN A 26 20.849 -4.125 8.366 1.00 70.11 H new ATOM 0 HE21 GLN A 26 22.883 -4.860 9.045 1.00 74.21 H new ATOM 0 HE22 GLN A 26 23.228 -6.586 9.195 1.00 74.21 H new ATOM 403 N SER A 27 17.687 -2.769 8.253 1.00 24.34 N ATOM 404 CA SER A 27 16.674 -2.955 7.284 1.00 20.50 C ATOM 405 C SER A 27 17.393 -3.327 5.984 1.00 61.12 C ATOM 406 O SER A 27 18.629 -3.275 5.963 1.00 64.41 O ATOM 407 CB SER A 27 15.917 -1.641 7.145 1.00 2.04 C ATOM 408 OG SER A 27 15.415 -1.214 8.414 1.00 2.13 O ATOM 0 H SER A 27 18.332 -2.014 8.021 1.00 24.34 H new ATOM 0 HA SER A 27 15.960 -3.735 7.548 1.00 20.50 H new ATOM 0 HB2 SER A 27 16.576 -0.877 6.733 1.00 2.04 H new ATOM 0 HB3 SER A 27 15.092 -1.763 6.443 1.00 2.04 H new ATOM 0 HG SER A 27 14.653 -0.612 8.279 1.00 2.13 H new ATOM 414 N PRO A 28 16.670 -3.737 4.902 1.00 11.04 N ATOM 415 CA PRO A 28 17.294 -4.076 3.603 1.00 31.30 C ATOM 416 C PRO A 28 18.327 -3.041 3.156 1.00 55.32 C ATOM 417 O PRO A 28 19.430 -3.389 2.743 1.00 44.25 O ATOM 418 CB PRO A 28 16.108 -4.090 2.655 1.00 51.12 C ATOM 419 CG PRO A 28 14.991 -4.571 3.503 1.00 35.21 C ATOM 420 CD PRO A 28 15.205 -3.950 4.856 1.00 61.03 C ATOM 0 HA PRO A 28 17.846 -5.015 3.644 1.00 31.30 H new ATOM 0 HB2 PRO A 28 15.906 -3.098 2.250 1.00 51.12 H new ATOM 0 HB3 PRO A 28 16.281 -4.751 1.806 1.00 51.12 H new ATOM 0 HG2 PRO A 28 14.028 -4.276 3.085 1.00 35.21 H new ATOM 0 HG3 PRO A 28 14.990 -5.659 3.568 1.00 35.21 H new ATOM 0 HD2 PRO A 28 14.658 -3.013 4.960 1.00 61.03 H new ATOM 0 HD3 PRO A 28 14.868 -4.606 5.658 1.00 61.03 H new ATOM 428 N GLU A 29 17.970 -1.787 3.249 1.00 55.11 N ATOM 429 CA GLU A 29 18.879 -0.725 2.927 1.00 21.42 C ATOM 430 C GLU A 29 18.963 0.254 4.102 1.00 72.42 C ATOM 431 O GLU A 29 20.021 0.394 4.728 1.00 52.32 O ATOM 432 CB GLU A 29 18.513 -0.032 1.562 1.00 2.44 C ATOM 433 CG GLU A 29 17.172 0.742 1.489 1.00 30.23 C ATOM 434 CD GLU A 29 15.974 -0.068 1.918 1.00 63.21 C ATOM 435 OE1 GLU A 29 15.663 -0.056 3.122 1.00 71.43 O ATOM 436 OE2 GLU A 29 15.339 -0.735 1.086 1.00 62.05 O ATOM 0 H GLU A 29 17.046 -1.477 3.549 1.00 55.11 H new ATOM 0 HA GLU A 29 19.875 -1.141 2.774 1.00 21.42 H new ATOM 0 HB2 GLU A 29 19.316 0.661 1.311 1.00 2.44 H new ATOM 0 HB3 GLU A 29 18.501 -0.799 0.788 1.00 2.44 H new ATOM 0 HG2 GLU A 29 17.242 1.630 2.117 1.00 30.23 H new ATOM 0 HG3 GLU A 29 17.018 1.087 0.466 1.00 30.23 H new ATOM 443 N LYS A 30 17.830 0.853 4.444 1.00 32.14 N ATOM 444 CA LYS A 30 17.715 1.823 5.508 1.00 40.01 C ATOM 445 C LYS A 30 16.290 2.322 5.528 1.00 35.15 C ATOM 446 O LYS A 30 15.825 2.937 4.552 1.00 3.14 O ATOM 447 CB LYS A 30 18.660 3.013 5.277 1.00 33.21 C ATOM 448 CG LYS A 30 18.655 4.041 6.395 1.00 72.53 C ATOM 449 CD LYS A 30 19.542 5.210 6.044 1.00 51.02 C ATOM 450 CE LYS A 30 19.554 6.252 7.140 1.00 70.33 C ATOM 451 NZ LYS A 30 20.346 7.434 6.753 1.00 33.32 N ATOM 0 H LYS A 30 16.945 0.668 3.972 1.00 32.14 H new ATOM 0 HA LYS A 30 17.985 1.354 6.454 1.00 40.01 H new ATOM 0 HB2 LYS A 30 19.675 2.637 5.150 1.00 33.21 H new ATOM 0 HB3 LYS A 30 18.384 3.506 4.345 1.00 33.21 H new ATOM 0 HG2 LYS A 30 17.637 4.390 6.572 1.00 72.53 H new ATOM 0 HG3 LYS A 30 19.000 3.581 7.321 1.00 72.53 H new ATOM 0 HD2 LYS A 30 20.558 4.856 5.867 1.00 51.02 H new ATOM 0 HD3 LYS A 30 19.196 5.663 5.115 1.00 51.02 H new ATOM 0 HE2 LYS A 30 18.532 6.556 7.366 1.00 70.33 H new ATOM 0 HE3 LYS A 30 19.967 5.819 8.051 1.00 70.33 H new ATOM 0 HZ1 LYS A 30 20.333 8.129 7.527 1.00 33.32 H new ATOM 0 HZ2 LYS A 30 21.327 7.147 6.561 1.00 33.32 H new ATOM 0 HZ3 LYS A 30 19.937 7.861 5.898 1.00 33.32 H new ATOM 465 N SER A 31 15.584 2.064 6.594 1.00 54.13 N ATOM 466 CA SER A 31 14.220 2.499 6.669 1.00 20.30 C ATOM 467 C SER A 31 14.127 3.980 6.981 1.00 62.24 C ATOM 468 O SER A 31 14.151 4.395 8.119 1.00 53.53 O ATOM 469 CB SER A 31 13.402 1.662 7.644 1.00 23.34 C ATOM 470 OG SER A 31 13.465 0.303 7.296 1.00 73.01 O ATOM 0 H SER A 31 15.926 1.561 7.413 1.00 54.13 H new ATOM 0 HA SER A 31 13.781 2.345 5.683 1.00 20.30 H new ATOM 0 HB2 SER A 31 13.778 1.802 8.657 1.00 23.34 H new ATOM 0 HB3 SER A 31 12.365 1.997 7.640 1.00 23.34 H new ATOM 0 HG SER A 31 12.849 -0.208 7.862 1.00 73.01 H new ATOM 476 N HIS A 32 14.111 4.753 5.936 1.00 34.01 N ATOM 477 CA HIS A 32 13.911 6.178 6.019 1.00 43.13 C ATOM 478 C HIS A 32 12.885 6.508 4.960 1.00 73.12 C ATOM 479 O HIS A 32 12.828 7.606 4.423 1.00 43.23 O ATOM 480 CB HIS A 32 15.242 6.961 5.780 1.00 64.43 C ATOM 481 CG HIS A 32 15.779 6.945 4.365 1.00 53.20 C ATOM 482 ND1 HIS A 32 15.695 8.035 3.531 1.00 35.23 N ATOM 483 CD2 HIS A 32 16.403 5.981 3.652 1.00 4.22 C ATOM 484 CE1 HIS A 32 16.230 7.741 2.372 1.00 71.12 C ATOM 485 NE2 HIS A 32 16.669 6.504 2.419 1.00 13.31 N ATOM 0 H HIS A 32 14.238 4.410 4.984 1.00 34.01 H new ATOM 0 HA HIS A 32 13.571 6.471 7.012 1.00 43.13 H new ATOM 0 HB2 HIS A 32 15.088 7.998 6.077 1.00 64.43 H new ATOM 0 HB3 HIS A 32 16.005 6.550 6.441 1.00 64.43 H new ATOM 0 HD1 HIS A 32 15.280 8.934 3.777 1.00 35.23 H new ATOM 0 HD2 HIS A 32 16.645 4.985 3.993 1.00 4.22 H new ATOM 0 HE1 HIS A 32 16.299 8.404 1.522 1.00 71.12 H new ATOM 494 N MET A 33 12.065 5.538 4.691 1.00 25.02 N ATOM 495 CA MET A 33 11.073 5.639 3.678 1.00 23.13 C ATOM 496 C MET A 33 9.800 4.992 4.156 1.00 34.05 C ATOM 497 O MET A 33 9.688 3.766 4.141 1.00 31.02 O ATOM 498 CB MET A 33 11.527 4.905 2.399 1.00 72.54 C ATOM 499 CG MET A 33 10.551 5.030 1.230 1.00 43.32 C ATOM 500 SD MET A 33 10.886 6.429 0.121 1.00 35.42 S ATOM 501 CE MET A 33 11.053 7.825 1.245 1.00 40.11 C ATOM 0 H MET A 33 12.071 4.643 5.180 1.00 25.02 H new ATOM 0 HA MET A 33 10.914 6.695 3.460 1.00 23.13 H new ATOM 0 HB2 MET A 33 12.497 5.297 2.093 1.00 72.54 H new ATOM 0 HB3 MET A 33 11.668 3.849 2.629 1.00 72.54 H new ATOM 0 HG2 MET A 33 10.577 4.108 0.650 1.00 43.32 H new ATOM 0 HG3 MET A 33 9.540 5.129 1.625 1.00 43.32 H new ATOM 0 HE1 MET A 33 11.045 8.754 0.675 1.00 40.11 H new ATOM 0 HE2 MET A 33 10.222 7.825 1.951 1.00 40.11 H new ATOM 0 HE3 MET A 33 11.993 7.742 1.791 1.00 40.11 H new ATOM 511 N VAL A 34 8.871 5.773 4.613 1.00 30.13 N ATOM 512 CA VAL A 34 7.602 5.226 4.969 1.00 21.20 C ATOM 513 C VAL A 34 6.534 5.799 4.059 1.00 14.00 C ATOM 514 O VAL A 34 6.353 7.025 3.965 1.00 74.22 O ATOM 515 CB VAL A 34 7.231 5.407 6.483 1.00 52.14 C ATOM 516 CG1 VAL A 34 7.066 6.861 6.894 1.00 71.13 C ATOM 517 CG2 VAL A 34 5.995 4.630 6.814 1.00 24.12 C ATOM 0 H VAL A 34 8.966 6.780 4.747 1.00 30.13 H new ATOM 0 HA VAL A 34 7.666 4.147 4.828 1.00 21.20 H new ATOM 0 HB VAL A 34 8.074 5.018 7.055 1.00 52.14 H new ATOM 0 HG11 VAL A 34 6.810 6.913 7.952 1.00 71.13 H new ATOM 0 HG12 VAL A 34 7.999 7.397 6.720 1.00 71.13 H new ATOM 0 HG13 VAL A 34 6.270 7.317 6.305 1.00 71.13 H new ATOM 0 HG21 VAL A 34 5.751 4.766 7.868 1.00 24.12 H new ATOM 0 HG22 VAL A 34 5.167 4.985 6.201 1.00 24.12 H new ATOM 0 HG23 VAL A 34 6.166 3.572 6.615 1.00 24.12 H new ATOM 527 N PHE A 35 5.861 4.945 3.351 1.00 62.32 N ATOM 528 CA PHE A 35 4.832 5.387 2.475 1.00 11.25 C ATOM 529 C PHE A 35 3.485 4.917 2.930 1.00 62.22 C ATOM 530 O PHE A 35 3.345 3.830 3.480 1.00 24.33 O ATOM 531 CB PHE A 35 5.101 5.066 0.976 1.00 24.11 C ATOM 532 CG PHE A 35 5.403 3.630 0.605 1.00 12.12 C ATOM 533 CD1 PHE A 35 4.571 2.600 0.977 1.00 5.13 C ATOM 534 CD2 PHE A 35 6.534 3.328 -0.133 1.00 55.22 C ATOM 535 CE1 PHE A 35 4.848 1.301 0.627 1.00 21.33 C ATOM 536 CE2 PHE A 35 6.821 2.034 -0.491 1.00 24.13 C ATOM 537 CZ PHE A 35 5.976 1.013 -0.113 1.00 74.20 C ATOM 0 H PHE A 35 6.010 3.936 3.366 1.00 62.32 H new ATOM 0 HA PHE A 35 4.836 6.476 2.532 1.00 11.25 H new ATOM 0 HB2 PHE A 35 4.229 5.384 0.404 1.00 24.11 H new ATOM 0 HB3 PHE A 35 5.939 5.680 0.647 1.00 24.11 H new ATOM 0 HD1 PHE A 35 3.684 2.816 1.554 1.00 5.13 H new ATOM 0 HD2 PHE A 35 7.201 4.123 -0.432 1.00 55.22 H new ATOM 0 HE1 PHE A 35 4.183 0.506 0.931 1.00 21.33 H new ATOM 0 HE2 PHE A 35 7.708 1.817 -1.068 1.00 24.13 H new ATOM 0 HZ PHE A 35 6.196 -0.006 -0.394 1.00 74.20 H new ATOM 547 N ARG A 36 2.511 5.738 2.738 1.00 51.03 N ATOM 548 CA ARG A 36 1.174 5.405 3.110 1.00 41.00 C ATOM 549 C ARG A 36 0.417 4.936 1.903 1.00 54.11 C ATOM 550 O ARG A 36 0.090 5.729 1.043 1.00 24.00 O ATOM 551 CB ARG A 36 0.441 6.597 3.758 1.00 10.04 C ATOM 552 CG ARG A 36 0.970 7.065 5.126 1.00 33.42 C ATOM 553 CD ARG A 36 2.352 7.709 5.062 1.00 24.11 C ATOM 554 NE ARG A 36 2.807 8.135 6.385 1.00 12.32 N ATOM 555 CZ ARG A 36 3.781 9.020 6.638 1.00 70.22 C ATOM 556 NH1 ARG A 36 4.426 9.622 5.642 1.00 43.34 N ATOM 557 NH2 ARG A 36 4.092 9.304 7.895 1.00 21.41 N ATOM 0 H ARG A 36 2.616 6.662 2.318 1.00 51.03 H new ATOM 0 HA ARG A 36 1.224 4.608 3.852 1.00 41.00 H new ATOM 0 HB2 ARG A 36 0.484 7.440 3.069 1.00 10.04 H new ATOM 0 HB3 ARG A 36 -0.610 6.331 3.871 1.00 10.04 H new ATOM 0 HG2 ARG A 36 0.266 7.779 5.553 1.00 33.42 H new ATOM 0 HG3 ARG A 36 1.008 6.211 5.802 1.00 33.42 H new ATOM 0 HD2 ARG A 36 3.066 7.000 4.642 1.00 24.11 H new ATOM 0 HD3 ARG A 36 2.323 8.568 4.392 1.00 24.11 H new ATOM 0 HE ARG A 36 2.339 7.720 7.191 1.00 12.32 H new ATOM 0 HH11 ARG A 36 4.181 9.411 4.675 1.00 43.34 H new ATOM 0 HH12 ARG A 36 5.166 10.294 5.846 1.00 43.34 H new ATOM 0 HH21 ARG A 36 3.591 8.850 8.659 1.00 21.41 H new ATOM 0 HH22 ARG A 36 4.832 9.976 8.098 1.00 21.41 H new ATOM 571 N VAL A 37 0.171 3.656 1.815 1.00 35.41 N ATOM 572 CA VAL A 37 -0.585 3.141 0.710 1.00 53.03 C ATOM 573 C VAL A 37 -2.069 3.195 1.067 1.00 13.21 C ATOM 574 O VAL A 37 -2.555 2.458 1.930 1.00 10.42 O ATOM 575 CB VAL A 37 -0.108 1.705 0.221 1.00 11.34 C ATOM 576 CG1 VAL A 37 1.366 1.731 -0.130 1.00 24.40 C ATOM 577 CG2 VAL A 37 -0.370 0.586 1.231 1.00 25.01 C ATOM 0 H VAL A 37 0.481 2.957 2.490 1.00 35.41 H new ATOM 0 HA VAL A 37 -0.405 3.775 -0.158 1.00 53.03 H new ATOM 0 HB VAL A 37 -0.708 1.479 -0.660 1.00 11.34 H new ATOM 0 HG11 VAL A 37 1.678 0.741 -0.463 1.00 24.40 H new ATOM 0 HG12 VAL A 37 1.537 2.453 -0.928 1.00 24.40 H new ATOM 0 HG13 VAL A 37 1.944 2.017 0.749 1.00 24.40 H new ATOM 0 HG21 VAL A 37 -0.017 -0.362 0.824 1.00 25.01 H new ATOM 0 HG22 VAL A 37 0.159 0.802 2.159 1.00 25.01 H new ATOM 0 HG23 VAL A 37 -1.439 0.519 1.431 1.00 25.01 H new ATOM 587 N GLU A 38 -2.764 4.113 0.470 1.00 24.41 N ATOM 588 CA GLU A 38 -4.139 4.317 0.785 1.00 4.33 C ATOM 589 C GLU A 38 -4.998 3.674 -0.268 1.00 3.24 C ATOM 590 O GLU A 38 -5.039 4.114 -1.429 1.00 73.40 O ATOM 591 CB GLU A 38 -4.447 5.801 0.901 1.00 34.10 C ATOM 592 CG GLU A 38 -5.830 6.117 1.433 1.00 22.42 C ATOM 593 CD GLU A 38 -6.078 7.602 1.476 1.00 32.40 C ATOM 594 OE1 GLU A 38 -5.640 8.249 2.437 1.00 25.41 O ATOM 595 OE2 GLU A 38 -6.706 8.145 0.526 1.00 0.35 O ATOM 0 H GLU A 38 -2.394 4.738 -0.246 1.00 24.41 H new ATOM 0 HA GLU A 38 -4.356 3.855 1.748 1.00 4.33 H new ATOM 0 HB2 GLU A 38 -3.706 6.263 1.554 1.00 34.10 H new ATOM 0 HB3 GLU A 38 -4.336 6.260 -0.081 1.00 34.10 H new ATOM 0 HG2 GLU A 38 -6.581 5.640 0.804 1.00 22.42 H new ATOM 0 HG3 GLU A 38 -5.940 5.699 2.434 1.00 22.42 H new ATOM 602 N VAL A 39 -5.643 2.628 0.125 1.00 65.51 N ATOM 603 CA VAL A 39 -6.515 1.889 -0.738 1.00 42.51 C ATOM 604 C VAL A 39 -7.947 2.359 -0.483 1.00 72.43 C ATOM 605 O VAL A 39 -8.507 2.110 0.599 1.00 3.30 O ATOM 606 CB VAL A 39 -6.399 0.367 -0.450 1.00 20.13 C ATOM 607 CG1 VAL A 39 -7.241 -0.447 -1.410 1.00 61.11 C ATOM 608 CG2 VAL A 39 -4.945 -0.103 -0.470 1.00 72.34 C ATOM 0 H VAL A 39 -5.581 2.252 1.071 1.00 65.51 H new ATOM 0 HA VAL A 39 -6.239 2.059 -1.779 1.00 42.51 H new ATOM 0 HB VAL A 39 -6.786 0.204 0.556 1.00 20.13 H new ATOM 0 HG11 VAL A 39 -7.135 -1.507 -1.178 1.00 61.11 H new ATOM 0 HG12 VAL A 39 -8.287 -0.157 -1.312 1.00 61.11 H new ATOM 0 HG13 VAL A 39 -6.908 -0.264 -2.432 1.00 61.11 H new ATOM 0 HG21 VAL A 39 -4.906 -1.173 -0.264 1.00 72.34 H new ATOM 0 HG22 VAL A 39 -4.512 0.094 -1.451 1.00 72.34 H new ATOM 0 HG23 VAL A 39 -4.379 0.434 0.291 1.00 72.34 H new ATOM 618 N LEU A 40 -8.495 3.088 -1.435 1.00 12.24 N ATOM 619 CA LEU A 40 -9.846 3.615 -1.351 1.00 64.13 C ATOM 620 C LEU A 40 -10.755 2.618 -2.058 1.00 14.02 C ATOM 621 O LEU A 40 -10.572 2.345 -3.249 1.00 63.44 O ATOM 622 CB LEU A 40 -9.893 5.003 -2.075 1.00 33.11 C ATOM 623 CG LEU A 40 -11.088 5.959 -1.834 1.00 73.44 C ATOM 624 CD1 LEU A 40 -10.912 7.226 -2.634 1.00 23.12 C ATOM 625 CD2 LEU A 40 -12.409 5.337 -2.169 1.00 64.42 C ATOM 0 H LEU A 40 -8.011 3.335 -2.298 1.00 12.24 H new ATOM 0 HA LEU A 40 -10.164 3.753 -0.318 1.00 64.13 H new ATOM 0 HB2 LEU A 40 -8.986 5.542 -1.803 1.00 33.11 H new ATOM 0 HB3 LEU A 40 -9.841 4.812 -3.147 1.00 33.11 H new ATOM 0 HG LEU A 40 -11.095 6.185 -0.768 1.00 73.44 H new ATOM 0 HD11 LEU A 40 -11.758 7.889 -2.456 1.00 23.12 H new ATOM 0 HD12 LEU A 40 -9.991 7.723 -2.330 1.00 23.12 H new ATOM 0 HD13 LEU A 40 -10.859 6.982 -3.695 1.00 23.12 H new ATOM 0 HD21 LEU A 40 -13.207 6.054 -1.980 1.00 64.42 H new ATOM 0 HD22 LEU A 40 -12.420 5.051 -3.221 1.00 64.42 H new ATOM 0 HD23 LEU A 40 -12.562 4.453 -1.551 1.00 64.42 H new ATOM 637 N CYS A 41 -11.690 2.059 -1.342 1.00 13.44 N ATOM 638 CA CYS A 41 -12.619 1.114 -1.906 1.00 43.10 C ATOM 639 C CYS A 41 -14.018 1.386 -1.403 1.00 61.12 C ATOM 640 O CYS A 41 -14.239 1.485 -0.190 1.00 41.44 O ATOM 641 CB CYS A 41 -12.212 -0.314 -1.564 1.00 24.32 C ATOM 642 SG CYS A 41 -10.581 -0.777 -2.161 1.00 63.44 S ATOM 0 H CYS A 41 -11.832 2.245 -0.349 1.00 13.44 H new ATOM 0 HA CYS A 41 -12.604 1.229 -2.990 1.00 43.10 H new ATOM 0 HB2 CYS A 41 -12.239 -0.439 -0.481 1.00 24.32 H new ATOM 0 HB3 CYS A 41 -12.948 -1.000 -1.983 1.00 24.32 H new ATOM 0 HG CYS A 41 -10.098 0.183 -2.893 1.00 63.44 H new ATOM 648 N SER A 42 -14.950 1.567 -2.341 1.00 31.14 N ATOM 649 CA SER A 42 -16.367 1.765 -2.039 1.00 41.24 C ATOM 650 C SER A 42 -16.572 3.094 -1.289 1.00 21.41 C ATOM 651 O SER A 42 -17.593 3.306 -0.631 1.00 24.45 O ATOM 652 CB SER A 42 -16.917 0.557 -1.232 1.00 51.32 C ATOM 653 OG SER A 42 -18.321 0.646 -1.013 1.00 31.42 O ATOM 0 H SER A 42 -14.740 1.580 -3.339 1.00 31.14 H new ATOM 0 HA SER A 42 -16.929 1.823 -2.971 1.00 41.24 H new ATOM 0 HB2 SER A 42 -16.693 -0.366 -1.767 1.00 51.32 H new ATOM 0 HB3 SER A 42 -16.405 0.501 -0.271 1.00 51.32 H new ATOM 0 HG SER A 42 -18.566 1.579 -0.838 1.00 31.42 H new ATOM 659 N GLY A 43 -15.606 3.989 -1.434 1.00 3.31 N ATOM 660 CA GLY A 43 -15.664 5.265 -0.768 1.00 63.53 C ATOM 661 C GLY A 43 -14.902 5.260 0.543 1.00 2.12 C ATOM 662 O GLY A 43 -14.656 6.308 1.129 1.00 71.12 O ATOM 0 H GLY A 43 -14.776 3.847 -2.009 1.00 3.31 H new ATOM 0 HA2 GLY A 43 -15.253 6.034 -1.422 1.00 63.53 H new ATOM 0 HA3 GLY A 43 -16.705 5.529 -0.581 1.00 63.53 H new ATOM 666 N ARG A 44 -14.510 4.085 0.990 1.00 41.04 N ATOM 667 CA ARG A 44 -13.809 3.943 2.246 1.00 12.41 C ATOM 668 C ARG A 44 -12.326 3.859 1.968 1.00 3.42 C ATOM 669 O ARG A 44 -11.891 3.025 1.186 1.00 52.30 O ATOM 670 CB ARG A 44 -14.253 2.679 2.956 1.00 44.11 C ATOM 671 CG ARG A 44 -15.748 2.536 3.100 1.00 64.54 C ATOM 672 CD ARG A 44 -16.089 1.336 3.941 1.00 11.12 C ATOM 673 NE ARG A 44 -15.417 0.115 3.482 1.00 50.55 N ATOM 674 CZ ARG A 44 -15.637 -1.097 3.982 1.00 33.40 C ATOM 675 NH1 ARG A 44 -16.585 -1.277 4.894 1.00 3.12 N ATOM 676 NH2 ARG A 44 -14.904 -2.123 3.576 1.00 21.45 N ATOM 0 H ARG A 44 -14.668 3.207 0.495 1.00 41.04 H new ATOM 0 HA ARG A 44 -14.030 4.801 2.880 1.00 12.41 H new ATOM 0 HB2 ARG A 44 -13.869 1.817 2.411 1.00 44.11 H new ATOM 0 HB3 ARG A 44 -13.801 2.656 3.948 1.00 44.11 H new ATOM 0 HG2 ARG A 44 -16.162 3.435 3.556 1.00 64.54 H new ATOM 0 HG3 ARG A 44 -16.205 2.438 2.115 1.00 64.54 H new ATOM 0 HD2 ARG A 44 -15.811 1.532 4.977 1.00 11.12 H new ATOM 0 HD3 ARG A 44 -17.168 1.180 3.925 1.00 11.12 H new ATOM 0 HE ARG A 44 -14.735 0.202 2.728 1.00 50.55 H new ATOM 0 HH11 ARG A 44 -17.145 -0.485 5.211 1.00 3.12 H new ATOM 0 HH12 ARG A 44 -16.754 -2.207 5.278 1.00 3.12 H new ATOM 0 HH21 ARG A 44 -14.171 -1.983 2.880 1.00 21.45 H new ATOM 0 HH22 ARG A 44 -15.072 -3.053 3.959 1.00 21.45 H new ATOM 690 N ARG A 45 -11.556 4.695 2.594 1.00 42.42 N ATOM 691 CA ARG A 45 -10.135 4.715 2.323 1.00 20.22 C ATOM 692 C ARG A 45 -9.302 4.397 3.560 1.00 44.12 C ATOM 693 O ARG A 45 -9.429 5.053 4.593 1.00 74.33 O ATOM 694 CB ARG A 45 -9.727 6.062 1.726 1.00 73.13 C ATOM 695 CG ARG A 45 -9.967 7.262 2.627 1.00 1.15 C ATOM 696 CD ARG A 45 -9.538 8.536 1.958 1.00 34.33 C ATOM 697 NE ARG A 45 -10.431 8.965 0.868 1.00 11.21 N ATOM 698 CZ ARG A 45 -10.019 9.701 -0.171 1.00 64.13 C ATOM 699 NH1 ARG A 45 -8.712 9.862 -0.397 1.00 53.44 N ATOM 700 NH2 ARG A 45 -10.906 10.224 -1.011 1.00 72.45 N ATOM 0 H ARG A 45 -11.874 5.369 3.290 1.00 42.42 H new ATOM 0 HA ARG A 45 -9.933 3.928 1.596 1.00 20.22 H new ATOM 0 HB2 ARG A 45 -8.668 6.024 1.471 1.00 73.13 H new ATOM 0 HB3 ARG A 45 -10.274 6.210 0.795 1.00 73.13 H new ATOM 0 HG2 ARG A 45 -11.024 7.321 2.885 1.00 1.15 H new ATOM 0 HG3 ARG A 45 -9.418 7.135 3.560 1.00 1.15 H new ATOM 0 HD2 ARG A 45 -9.486 9.328 2.705 1.00 34.33 H new ATOM 0 HD3 ARG A 45 -8.531 8.406 1.561 1.00 34.33 H new ATOM 0 HE ARG A 45 -11.412 8.687 0.907 1.00 11.21 H new ATOM 0 HH11 ARG A 45 -8.030 9.424 0.222 1.00 53.44 H new ATOM 0 HH12 ARG A 45 -8.397 10.423 -1.189 1.00 53.44 H new ATOM 0 HH21 ARG A 45 -11.903 10.065 -0.864 1.00 72.45 H new ATOM 0 HH22 ARG A 45 -10.590 10.785 -1.802 1.00 72.45 H new ATOM 714 N HIS A 46 -8.484 3.378 3.471 1.00 43.13 N ATOM 715 CA HIS A 46 -7.576 3.071 4.565 1.00 73.41 C ATOM 716 C HIS A 46 -6.153 3.410 4.207 1.00 31.24 C ATOM 717 O HIS A 46 -5.592 2.869 3.246 1.00 65.04 O ATOM 718 CB HIS A 46 -7.723 1.633 5.165 1.00 55.03 C ATOM 719 CG HIS A 46 -7.651 0.458 4.214 1.00 31.43 C ATOM 720 ND1 HIS A 46 -8.511 -0.615 4.297 1.00 53.43 N ATOM 721 CD2 HIS A 46 -6.800 0.160 3.203 1.00 75.50 C ATOM 722 CE1 HIS A 46 -8.195 -1.504 3.387 1.00 33.23 C ATOM 723 NE2 HIS A 46 -7.162 -1.064 2.705 1.00 4.11 N ATOM 0 H HIS A 46 -8.422 2.751 2.669 1.00 43.13 H new ATOM 0 HA HIS A 46 -7.882 3.722 5.384 1.00 73.41 H new ATOM 0 HB2 HIS A 46 -6.944 1.503 5.917 1.00 55.03 H new ATOM 0 HB3 HIS A 46 -8.680 1.584 5.685 1.00 55.03 H new ATOM 0 HD1 HIS A 46 -9.277 -0.704 4.965 1.00 53.43 H new ATOM 0 HD2 HIS A 46 -5.984 0.775 2.853 1.00 75.50 H new ATOM 0 HE1 HIS A 46 -8.701 -2.444 3.225 1.00 33.23 H new ATOM 732 N THR A 47 -5.599 4.317 4.948 1.00 24.20 N ATOM 733 CA THR A 47 -4.262 4.784 4.745 1.00 34.41 C ATOM 734 C THR A 47 -3.302 3.839 5.485 1.00 65.11 C ATOM 735 O THR A 47 -3.256 3.833 6.715 1.00 21.13 O ATOM 736 CB THR A 47 -4.161 6.202 5.332 1.00 62.40 C ATOM 737 OG1 THR A 47 -5.293 6.975 4.880 1.00 25.11 O ATOM 738 CG2 THR A 47 -2.881 6.886 4.896 1.00 52.13 C ATOM 0 H THR A 47 -6.075 4.765 5.731 1.00 24.20 H new ATOM 0 HA THR A 47 -4.005 4.804 3.686 1.00 34.41 H new ATOM 0 HB THR A 47 -4.155 6.130 6.420 1.00 62.40 H new ATOM 0 HG1 THR A 47 -5.125 7.301 3.971 1.00 25.11 H new ATOM 0 HG21 THR A 47 -2.838 7.886 5.327 1.00 52.13 H new ATOM 0 HG22 THR A 47 -2.024 6.306 5.239 1.00 52.13 H new ATOM 0 HG23 THR A 47 -2.859 6.958 3.809 1.00 52.13 H new ATOM 746 N VAL A 48 -2.585 3.007 4.746 1.00 51.11 N ATOM 747 CA VAL A 48 -1.726 2.007 5.364 1.00 32.22 C ATOM 748 C VAL A 48 -0.225 2.348 5.181 1.00 11.15 C ATOM 749 O VAL A 48 0.338 2.146 4.100 1.00 1.41 O ATOM 750 CB VAL A 48 -2.019 0.593 4.778 1.00 34.55 C ATOM 751 CG1 VAL A 48 -1.227 -0.475 5.491 1.00 55.31 C ATOM 752 CG2 VAL A 48 -3.506 0.273 4.834 1.00 43.21 C ATOM 0 H VAL A 48 -2.580 3.003 3.726 1.00 51.11 H new ATOM 0 HA VAL A 48 -1.947 2.008 6.431 1.00 32.22 H new ATOM 0 HB VAL A 48 -1.708 0.606 3.734 1.00 34.55 H new ATOM 0 HG11 VAL A 48 -1.456 -1.448 5.057 1.00 55.31 H new ATOM 0 HG12 VAL A 48 -0.162 -0.271 5.383 1.00 55.31 H new ATOM 0 HG13 VAL A 48 -1.491 -0.478 6.549 1.00 55.31 H new ATOM 0 HG21 VAL A 48 -3.680 -0.719 4.419 1.00 43.21 H new ATOM 0 HG22 VAL A 48 -3.845 0.297 5.870 1.00 43.21 H new ATOM 0 HG23 VAL A 48 -4.059 1.012 4.254 1.00 43.21 H new ATOM 762 N PRO A 49 0.431 2.903 6.223 1.00 21.31 N ATOM 763 CA PRO A 49 1.860 3.228 6.179 1.00 54.24 C ATOM 764 C PRO A 49 2.731 1.982 6.294 1.00 23.34 C ATOM 765 O PRO A 49 2.573 1.183 7.234 1.00 24.23 O ATOM 766 CB PRO A 49 2.078 4.137 7.404 1.00 23.01 C ATOM 767 CG PRO A 49 0.717 4.406 7.957 1.00 34.04 C ATOM 768 CD PRO A 49 -0.161 3.276 7.510 1.00 14.11 C ATOM 0 HA PRO A 49 2.135 3.699 5.235 1.00 54.24 H new ATOM 0 HB2 PRO A 49 2.712 3.650 8.145 1.00 23.01 H new ATOM 0 HB3 PRO A 49 2.575 5.064 7.120 1.00 23.01 H new ATOM 0 HG2 PRO A 49 0.746 4.466 9.045 1.00 34.04 H new ATOM 0 HG3 PRO A 49 0.334 5.360 7.595 1.00 34.04 H new ATOM 0 HD2 PRO A 49 -0.148 2.447 8.218 1.00 14.11 H new ATOM 0 HD3 PRO A 49 -1.200 3.587 7.403 1.00 14.11 H new ATOM 776 N ARG A 50 3.624 1.807 5.332 1.00 34.14 N ATOM 777 CA ARG A 50 4.551 0.681 5.295 1.00 53.23 C ATOM 778 C ARG A 50 5.853 1.106 4.658 1.00 71.01 C ATOM 779 O ARG A 50 5.938 2.197 4.073 1.00 63.40 O ATOM 780 CB ARG A 50 3.995 -0.475 4.457 1.00 14.20 C ATOM 781 CG ARG A 50 2.710 -1.080 4.959 1.00 4.33 C ATOM 782 CD ARG A 50 2.308 -2.251 4.107 1.00 73.13 C ATOM 783 NE ARG A 50 2.103 -1.885 2.700 1.00 63.41 N ATOM 784 CZ ARG A 50 2.227 -2.733 1.669 1.00 54.43 C ATOM 785 NH1 ARG A 50 2.625 -4.002 1.881 1.00 24.42 N ATOM 786 NH2 ARG A 50 1.970 -2.312 0.429 1.00 21.12 N ATOM 0 H ARG A 50 3.728 2.448 4.546 1.00 34.14 H new ATOM 0 HA ARG A 50 4.700 0.355 6.324 1.00 53.23 H new ATOM 0 HB2 ARG A 50 3.835 -0.119 3.439 1.00 14.20 H new ATOM 0 HB3 ARG A 50 4.750 -1.260 4.406 1.00 14.20 H new ATOM 0 HG2 ARG A 50 2.833 -1.401 5.993 1.00 4.33 H new ATOM 0 HG3 ARG A 50 1.920 -0.329 4.950 1.00 4.33 H new ATOM 0 HD2 ARG A 50 3.077 -3.021 4.169 1.00 73.13 H new ATOM 0 HD3 ARG A 50 1.390 -2.685 4.503 1.00 73.13 H new ATOM 0 HE ARG A 50 1.849 -0.919 2.493 1.00 63.41 H new ATOM 0 HH11 ARG A 50 2.833 -4.320 2.828 1.00 24.42 H new ATOM 0 HH12 ARG A 50 2.719 -4.645 1.095 1.00 24.42 H new ATOM 0 HH21 ARG A 50 1.680 -1.347 0.268 1.00 21.12 H new ATOM 0 HH22 ARG A 50 2.063 -2.955 -0.357 1.00 21.12 H new ATOM 800 N ARG A 51 6.863 0.259 4.751 1.00 55.04 N ATOM 801 CA ARG A 51 8.079 0.512 4.030 1.00 63.42 C ATOM 802 C ARG A 51 8.168 -0.346 2.782 1.00 0.34 C ATOM 803 O ARG A 51 7.334 -1.235 2.549 1.00 53.25 O ATOM 804 CB ARG A 51 9.394 0.471 4.858 1.00 73.01 C ATOM 805 CG ARG A 51 9.628 -0.744 5.730 1.00 43.04 C ATOM 806 CD ARG A 51 11.123 -0.996 5.906 1.00 64.13 C ATOM 807 NE ARG A 51 11.721 -1.482 4.647 1.00 62.24 N ATOM 808 CZ ARG A 51 12.833 -1.029 4.060 1.00 42.12 C ATOM 809 NH1 ARG A 51 13.586 -0.157 4.668 1.00 33.02 N ATOM 810 NH2 ARG A 51 13.220 -1.512 2.868 1.00 53.42 N ATOM 0 H ARG A 51 6.859 -0.594 5.311 1.00 55.04 H new ATOM 0 HA ARG A 51 8.000 1.560 3.741 1.00 63.42 H new ATOM 0 HB2 ARG A 51 10.231 0.555 4.165 1.00 73.01 H new ATOM 0 HB3 ARG A 51 9.418 1.354 5.496 1.00 73.01 H new ATOM 0 HG2 ARG A 51 9.161 -0.595 6.704 1.00 43.04 H new ATOM 0 HG3 ARG A 51 9.156 -1.618 5.280 1.00 43.04 H new ATOM 0 HD2 ARG A 51 11.618 -0.076 6.218 1.00 64.13 H new ATOM 0 HD3 ARG A 51 11.283 -1.729 6.697 1.00 64.13 H new ATOM 0 HE ARG A 51 11.234 -2.244 4.175 1.00 62.24 H new ATOM 0 HH11 ARG A 51 13.328 0.182 5.595 1.00 33.02 H new ATOM 0 HH12 ARG A 51 14.434 0.187 4.217 1.00 33.02 H new ATOM 0 HH21 ARG A 51 12.664 -2.230 2.404 1.00 53.42 H new ATOM 0 HH22 ARG A 51 14.070 -1.161 2.427 1.00 53.42 H new ATOM 824 N TYR A 52 9.188 -0.078 2.007 1.00 22.14 N ATOM 825 CA TYR A 52 9.405 -0.650 0.679 1.00 21.20 C ATOM 826 C TYR A 52 9.442 -2.202 0.693 1.00 74.43 C ATOM 827 O TYR A 52 8.908 -2.861 -0.209 1.00 35.53 O ATOM 828 CB TYR A 52 10.730 -0.101 0.163 1.00 22.11 C ATOM 829 CG TYR A 52 10.881 -0.101 -1.327 1.00 42.12 C ATOM 830 CD1 TYR A 52 11.336 -1.211 -2.026 1.00 52.21 C ATOM 831 CD2 TYR A 52 10.571 1.043 -2.038 1.00 74.30 C ATOM 832 CE1 TYR A 52 11.473 -1.168 -3.400 1.00 54.43 C ATOM 833 CE2 TYR A 52 10.706 1.095 -3.394 1.00 11.03 C ATOM 834 CZ TYR A 52 11.152 0.000 -4.078 1.00 73.10 C ATOM 835 OH TYR A 52 11.290 0.070 -5.442 1.00 3.53 O ATOM 0 H TYR A 52 9.926 0.569 2.284 1.00 22.14 H new ATOM 0 HA TYR A 52 8.573 -0.373 0.032 1.00 21.20 H new ATOM 0 HB2 TYR A 52 10.848 0.921 0.524 1.00 22.11 H new ATOM 0 HB3 TYR A 52 11.541 -0.687 0.595 1.00 22.11 H new ATOM 0 HD1 TYR A 52 11.585 -2.116 -1.491 1.00 52.21 H new ATOM 0 HD2 TYR A 52 10.214 1.914 -1.508 1.00 74.30 H new ATOM 0 HE1 TYR A 52 11.826 -2.034 -3.941 1.00 54.43 H new ATOM 0 HE2 TYR A 52 10.460 2.002 -3.927 1.00 11.03 H new ATOM 0 HH TYR A 52 11.793 0.877 -5.679 1.00 3.53 H new ATOM 845 N SER A 53 10.037 -2.760 1.727 1.00 14.30 N ATOM 846 CA SER A 53 10.234 -4.201 1.845 1.00 4.40 C ATOM 847 C SER A 53 8.933 -4.969 1.937 1.00 41.14 C ATOM 848 O SER A 53 8.811 -6.061 1.372 1.00 11.13 O ATOM 849 CB SER A 53 11.092 -4.485 3.044 1.00 73.32 C ATOM 850 OG SER A 53 10.591 -3.782 4.161 1.00 62.22 O ATOM 0 H SER A 53 10.402 -2.228 2.517 1.00 14.30 H new ATOM 0 HA SER A 53 10.729 -4.541 0.935 1.00 4.40 H new ATOM 0 HB2 SER A 53 11.104 -5.555 3.250 1.00 73.32 H new ATOM 0 HB3 SER A 53 12.122 -4.187 2.846 1.00 73.32 H new ATOM 0 HG SER A 53 9.851 -4.286 4.560 1.00 62.22 H new ATOM 856 N GLU A 54 7.957 -4.412 2.639 1.00 1.30 N ATOM 857 CA GLU A 54 6.694 -5.089 2.794 1.00 73.15 C ATOM 858 C GLU A 54 5.975 -5.213 1.501 1.00 32.11 C ATOM 859 O GLU A 54 5.228 -6.144 1.312 1.00 62.43 O ATOM 860 CB GLU A 54 5.790 -4.501 3.882 1.00 40.44 C ATOM 861 CG GLU A 54 6.246 -4.783 5.307 1.00 31.44 C ATOM 862 CD GLU A 54 7.551 -4.135 5.663 1.00 53.11 C ATOM 863 OE1 GLU A 54 7.535 -2.972 6.101 1.00 71.13 O ATOM 864 OE2 GLU A 54 8.613 -4.787 5.512 1.00 75.33 O ATOM 0 H GLU A 54 8.020 -3.505 3.102 1.00 1.30 H new ATOM 0 HA GLU A 54 6.951 -6.089 3.142 1.00 73.15 H new ATOM 0 HB2 GLU A 54 5.729 -3.422 3.741 1.00 40.44 H new ATOM 0 HB3 GLU A 54 4.783 -4.897 3.752 1.00 40.44 H new ATOM 0 HG2 GLU A 54 5.478 -4.438 6.000 1.00 31.44 H new ATOM 0 HG3 GLU A 54 6.337 -5.861 5.443 1.00 31.44 H new ATOM 871 N PHE A 55 6.168 -4.267 0.609 1.00 32.22 N ATOM 872 CA PHE A 55 5.576 -4.408 -0.680 1.00 71.12 C ATOM 873 C PHE A 55 6.312 -5.461 -1.508 1.00 14.42 C ATOM 874 O PHE A 55 5.691 -6.264 -2.201 1.00 1.33 O ATOM 875 CB PHE A 55 5.442 -3.108 -1.457 1.00 42.13 C ATOM 876 CG PHE A 55 4.712 -3.370 -2.728 1.00 44.42 C ATOM 877 CD1 PHE A 55 3.376 -3.657 -2.686 1.00 73.25 C ATOM 878 CD2 PHE A 55 5.359 -3.382 -3.945 1.00 70.42 C ATOM 879 CE1 PHE A 55 2.680 -3.954 -3.819 1.00 75.32 C ATOM 880 CE2 PHE A 55 4.666 -3.673 -5.097 1.00 14.41 C ATOM 881 CZ PHE A 55 3.323 -3.962 -5.032 1.00 63.24 C ATOM 0 H PHE A 55 6.716 -3.419 0.755 1.00 32.22 H new ATOM 0 HA PHE A 55 4.556 -4.742 -0.493 1.00 71.12 H new ATOM 0 HB2 PHE A 55 4.906 -2.368 -0.862 1.00 42.13 H new ATOM 0 HB3 PHE A 55 6.428 -2.694 -1.669 1.00 42.13 H new ATOM 0 HD1 PHE A 55 2.862 -3.648 -1.736 1.00 73.25 H new ATOM 0 HD2 PHE A 55 6.415 -3.162 -3.994 1.00 70.42 H new ATOM 0 HE1 PHE A 55 1.626 -4.182 -3.763 1.00 75.32 H new ATOM 0 HE2 PHE A 55 5.175 -3.675 -6.050 1.00 14.41 H new ATOM 0 HZ PHE A 55 2.775 -4.195 -5.933 1.00 63.24 H new ATOM 891 N HIS A 56 7.630 -5.444 -1.433 1.00 4.13 N ATOM 892 CA HIS A 56 8.456 -6.383 -2.190 1.00 33.43 C ATOM 893 C HIS A 56 8.124 -7.827 -1.793 1.00 52.14 C ATOM 894 O HIS A 56 7.922 -8.689 -2.657 1.00 23.53 O ATOM 895 CB HIS A 56 9.953 -6.075 -1.985 1.00 73.14 C ATOM 896 CG HIS A 56 10.885 -6.965 -2.766 1.00 63.01 C ATOM 897 ND1 HIS A 56 11.707 -7.892 -2.177 1.00 75.31 N ATOM 898 CD2 HIS A 56 11.134 -7.039 -4.098 1.00 21.33 C ATOM 899 CE1 HIS A 56 12.418 -8.502 -3.103 1.00 53.31 C ATOM 900 NE2 HIS A 56 12.090 -8.004 -4.279 1.00 21.31 N ATOM 0 H HIS A 56 8.158 -4.790 -0.855 1.00 4.13 H new ATOM 0 HA HIS A 56 8.235 -6.267 -3.251 1.00 33.43 H new ATOM 0 HB2 HIS A 56 10.140 -5.039 -2.266 1.00 73.14 H new ATOM 0 HB3 HIS A 56 10.188 -6.165 -0.924 1.00 73.14 H new ATOM 0 HD2 HIS A 56 10.666 -6.448 -4.871 1.00 21.33 H new ATOM 0 HE1 HIS A 56 13.147 -9.279 -2.928 1.00 53.31 H new ATOM 0 HE2 HIS A 56 12.483 -8.290 -5.176 1.00 21.31 H new ATOM 909 N ALA A 57 8.041 -8.067 -0.497 1.00 1.44 N ATOM 910 CA ALA A 57 7.692 -9.381 0.019 1.00 31.11 C ATOM 911 C ALA A 57 6.230 -9.704 -0.278 1.00 62.45 C ATOM 912 O ALA A 57 5.890 -10.856 -0.581 1.00 1.23 O ATOM 913 CB ALA A 57 7.966 -9.452 1.504 1.00 34.54 C ATOM 0 H ALA A 57 8.212 -7.365 0.223 1.00 1.44 H new ATOM 0 HA ALA A 57 8.311 -10.126 -0.481 1.00 31.11 H new ATOM 0 HB1 ALA A 57 7.700 -10.441 1.876 1.00 34.54 H new ATOM 0 HB2 ALA A 57 9.024 -9.268 1.688 1.00 34.54 H new ATOM 0 HB3 ALA A 57 7.371 -8.698 2.020 1.00 34.54 H new ATOM 919 N LEU A 58 5.373 -8.675 -0.213 1.00 42.13 N ATOM 920 CA LEU A 58 3.953 -8.819 -0.538 1.00 40.21 C ATOM 921 C LEU A 58 3.825 -9.354 -1.937 1.00 11.33 C ATOM 922 O LEU A 58 3.171 -10.363 -2.160 1.00 41.22 O ATOM 923 CB LEU A 58 3.254 -7.442 -0.459 1.00 12.00 C ATOM 924 CG LEU A 58 1.770 -7.363 -0.848 1.00 72.25 C ATOM 925 CD1 LEU A 58 0.910 -8.181 0.077 1.00 71.21 C ATOM 926 CD2 LEU A 58 1.297 -5.923 -0.858 1.00 42.43 C ATOM 0 H LEU A 58 5.644 -7.731 0.063 1.00 42.13 H new ATOM 0 HA LEU A 58 3.486 -9.502 0.171 1.00 40.21 H new ATOM 0 HB2 LEU A 58 3.351 -7.076 0.563 1.00 12.00 H new ATOM 0 HB3 LEU A 58 3.804 -6.751 -1.098 1.00 12.00 H new ATOM 0 HG LEU A 58 1.674 -7.777 -1.852 1.00 72.25 H new ATOM 0 HD11 LEU A 58 -0.133 -8.101 -0.230 1.00 71.21 H new ATOM 0 HD12 LEU A 58 1.221 -9.225 0.035 1.00 71.21 H new ATOM 0 HD13 LEU A 58 1.018 -7.811 1.097 1.00 71.21 H new ATOM 0 HD21 LEU A 58 0.244 -5.888 -1.136 1.00 42.43 H new ATOM 0 HD22 LEU A 58 1.425 -5.491 0.135 1.00 42.43 H new ATOM 0 HD23 LEU A 58 1.882 -5.353 -1.580 1.00 42.43 H new ATOM 938 N HIS A 59 4.535 -8.710 -2.861 1.00 20.30 N ATOM 939 CA HIS A 59 4.498 -9.068 -4.262 1.00 34.10 C ATOM 940 C HIS A 59 4.906 -10.497 -4.479 1.00 31.41 C ATOM 941 O HIS A 59 4.237 -11.220 -5.193 1.00 41.52 O ATOM 942 CB HIS A 59 5.378 -8.130 -5.128 1.00 32.30 C ATOM 943 CG HIS A 59 5.404 -8.501 -6.608 1.00 12.20 C ATOM 944 ND1 HIS A 59 4.686 -7.836 -7.568 1.00 13.51 N ATOM 945 CD2 HIS A 59 6.071 -9.488 -7.269 1.00 22.23 C ATOM 946 CE1 HIS A 59 4.905 -8.399 -8.743 1.00 13.02 C ATOM 947 NE2 HIS A 59 5.738 -9.392 -8.583 1.00 64.13 N ATOM 0 H HIS A 59 5.151 -7.925 -2.650 1.00 20.30 H new ATOM 0 HA HIS A 59 3.462 -8.949 -4.580 1.00 34.10 H new ATOM 0 HB2 HIS A 59 5.013 -7.108 -5.026 1.00 32.30 H new ATOM 0 HB3 HIS A 59 6.397 -8.144 -4.742 1.00 32.30 H new ATOM 0 HD2 HIS A 59 6.741 -10.213 -6.830 1.00 22.23 H new ATOM 0 HE1 HIS A 59 4.468 -8.089 -9.681 1.00 13.02 H new ATOM 0 HE2 HIS A 59 6.084 -9.999 -9.326 1.00 64.13 H new ATOM 956 N LYS A 60 5.998 -10.917 -3.880 1.00 22.53 N ATOM 957 CA LYS A 60 6.468 -12.245 -4.150 1.00 71.14 C ATOM 958 C LYS A 60 5.569 -13.303 -3.521 1.00 23.42 C ATOM 959 O LYS A 60 5.539 -14.438 -3.983 1.00 62.15 O ATOM 960 CB LYS A 60 7.924 -12.474 -3.765 1.00 64.21 C ATOM 961 CG LYS A 60 8.216 -12.548 -2.284 1.00 43.31 C ATOM 962 CD LYS A 60 9.063 -13.788 -2.004 1.00 24.20 C ATOM 963 CE LYS A 60 8.261 -15.087 -2.263 1.00 25.13 C ATOM 964 NZ LYS A 60 7.212 -15.281 -1.249 1.00 13.32 N ATOM 0 H LYS A 60 6.558 -10.373 -3.223 1.00 22.53 H new ATOM 0 HA LYS A 60 6.419 -12.348 -5.234 1.00 71.14 H new ATOM 0 HB2 LYS A 60 8.259 -13.402 -4.228 1.00 64.21 H new ATOM 0 HB3 LYS A 60 8.523 -11.670 -4.193 1.00 64.21 H new ATOM 0 HG2 LYS A 60 8.743 -11.651 -1.959 1.00 43.31 H new ATOM 0 HG3 LYS A 60 7.285 -12.593 -1.719 1.00 43.31 H new ATOM 0 HD2 LYS A 60 9.951 -13.774 -2.635 1.00 24.20 H new ATOM 0 HD3 LYS A 60 9.407 -13.770 -0.970 1.00 24.20 H new ATOM 0 HE2 LYS A 60 7.808 -15.046 -3.254 1.00 25.13 H new ATOM 0 HE3 LYS A 60 8.938 -15.942 -2.257 1.00 25.13 H new ATOM 0 HZ1 LYS A 60 6.682 -16.150 -1.460 1.00 13.32 H new ATOM 0 HZ2 LYS A 60 7.649 -15.361 -0.309 1.00 13.32 H new ATOM 0 HZ3 LYS A 60 6.563 -14.468 -1.261 1.00 13.32 H new ATOM 978 N ARG A 61 4.863 -12.945 -2.462 1.00 23.35 N ATOM 979 CA ARG A 61 3.966 -13.881 -1.813 1.00 14.23 C ATOM 980 C ARG A 61 2.739 -14.138 -2.686 1.00 41.10 C ATOM 981 O ARG A 61 2.275 -15.266 -2.803 1.00 12.02 O ATOM 982 CB ARG A 61 3.538 -13.381 -0.424 1.00 34.55 C ATOM 983 CG ARG A 61 2.631 -14.359 0.310 1.00 34.25 C ATOM 984 CD ARG A 61 2.211 -13.848 1.675 1.00 15.05 C ATOM 985 NE ARG A 61 1.337 -14.813 2.341 1.00 74.34 N ATOM 986 CZ ARG A 61 0.661 -14.615 3.476 1.00 42.32 C ATOM 987 NH1 ARG A 61 0.804 -13.490 4.166 1.00 72.54 N ATOM 988 NH2 ARG A 61 -0.142 -15.562 3.917 1.00 10.32 N ATOM 0 H ARG A 61 4.894 -12.018 -2.037 1.00 23.35 H new ATOM 0 HA ARG A 61 4.506 -14.818 -1.678 1.00 14.23 H new ATOM 0 HB2 ARG A 61 4.427 -13.197 0.179 1.00 34.55 H new ATOM 0 HB3 ARG A 61 3.022 -12.427 -0.531 1.00 34.55 H new ATOM 0 HG2 ARG A 61 1.743 -14.548 -0.293 1.00 34.25 H new ATOM 0 HG3 ARG A 61 3.147 -15.312 0.425 1.00 34.25 H new ATOM 0 HD2 ARG A 61 3.094 -13.666 2.288 1.00 15.05 H new ATOM 0 HD3 ARG A 61 1.694 -12.894 1.569 1.00 15.05 H new ATOM 0 HE ARG A 61 1.234 -15.725 1.896 1.00 74.34 H new ATOM 0 HH11 ARG A 61 1.436 -12.763 3.831 1.00 72.54 H new ATOM 0 HH12 ARG A 61 0.281 -13.352 5.031 1.00 72.54 H new ATOM 0 HH21 ARG A 61 -0.241 -16.432 3.393 1.00 10.32 H new ATOM 0 HH22 ARG A 61 -0.665 -15.425 4.782 1.00 10.32 H new ATOM 1002 N ILE A 62 2.261 -13.102 -3.327 1.00 22.52 N ATOM 1003 CA ILE A 62 1.062 -13.188 -4.145 1.00 10.24 C ATOM 1004 C ILE A 62 1.336 -13.327 -5.646 1.00 70.21 C ATOM 1005 O ILE A 62 0.398 -13.444 -6.430 1.00 11.40 O ATOM 1006 CB ILE A 62 0.135 -11.972 -3.914 1.00 72.43 C ATOM 1007 CG1 ILE A 62 0.905 -10.636 -4.002 1.00 35.02 C ATOM 1008 CG2 ILE A 62 -0.665 -12.087 -2.655 1.00 72.12 C ATOM 1009 CD1 ILE A 62 0.079 -9.403 -3.669 1.00 74.25 C ATOM 0 H ILE A 62 2.685 -12.175 -3.302 1.00 22.52 H new ATOM 0 HA ILE A 62 0.571 -14.105 -3.820 1.00 10.24 H new ATOM 0 HB ILE A 62 -0.588 -11.974 -4.730 1.00 72.43 H new ATOM 0 HG12 ILE A 62 1.758 -10.679 -3.325 1.00 35.02 H new ATOM 0 HG13 ILE A 62 1.304 -10.528 -5.011 1.00 35.02 H new ATOM 0 HG21 ILE A 62 -1.297 -11.206 -2.544 1.00 72.12 H new ATOM 0 HG22 ILE A 62 -1.290 -12.979 -2.701 1.00 72.12 H new ATOM 0 HG23 ILE A 62 0.009 -12.160 -1.801 1.00 72.12 H new ATOM 0 HD11 ILE A 62 0.702 -8.513 -3.757 1.00 74.25 H new ATOM 0 HD12 ILE A 62 -0.760 -9.329 -4.361 1.00 74.25 H new ATOM 0 HD13 ILE A 62 -0.298 -9.482 -2.649 1.00 74.25 H new ATOM 1021 N LYS A 63 2.598 -13.350 -6.052 1.00 73.43 N ATOM 1022 CA LYS A 63 2.921 -13.383 -7.490 1.00 64.13 C ATOM 1023 C LYS A 63 2.423 -14.640 -8.197 1.00 62.04 C ATOM 1024 O LYS A 63 2.093 -14.595 -9.387 1.00 34.22 O ATOM 1025 CB LYS A 63 4.402 -13.119 -7.789 1.00 1.14 C ATOM 1026 CG LYS A 63 5.373 -14.141 -7.242 1.00 13.02 C ATOM 1027 CD LYS A 63 6.783 -13.787 -7.662 1.00 54.01 C ATOM 1028 CE LYS A 63 7.794 -14.790 -7.161 1.00 45.44 C ATOM 1029 NZ LYS A 63 9.157 -14.448 -7.607 1.00 15.42 N ATOM 0 H LYS A 63 3.406 -13.347 -5.429 1.00 73.43 H new ATOM 0 HA LYS A 63 2.363 -12.547 -7.911 1.00 64.13 H new ATOM 0 HB2 LYS A 63 4.531 -13.064 -8.870 1.00 1.14 H new ATOM 0 HB3 LYS A 63 4.667 -12.141 -7.386 1.00 1.14 H new ATOM 0 HG2 LYS A 63 5.306 -14.174 -6.155 1.00 13.02 H new ATOM 0 HG3 LYS A 63 5.114 -15.134 -7.608 1.00 13.02 H new ATOM 0 HD2 LYS A 63 6.834 -13.734 -8.749 1.00 54.01 H new ATOM 0 HD3 LYS A 63 7.036 -12.797 -7.282 1.00 54.01 H new ATOM 0 HE2 LYS A 63 7.764 -14.826 -6.072 1.00 45.44 H new ATOM 0 HE3 LYS A 63 7.531 -15.785 -7.520 1.00 45.44 H new ATOM 0 HZ1 LYS A 63 9.828 -15.156 -7.247 1.00 15.42 H new ATOM 0 HZ2 LYS A 63 9.190 -14.438 -8.646 1.00 15.42 H new ATOM 0 HZ3 LYS A 63 9.416 -13.509 -7.243 1.00 15.42 H new ATOM 1043 N LYS A 64 2.388 -15.752 -7.490 1.00 64.15 N ATOM 1044 CA LYS A 64 1.829 -16.981 -8.078 1.00 73.23 C ATOM 1045 C LYS A 64 0.309 -17.079 -7.811 1.00 1.33 C ATOM 1046 O LYS A 64 -0.375 -17.950 -8.354 1.00 1.54 O ATOM 1047 CB LYS A 64 2.490 -18.239 -7.487 1.00 51.50 C ATOM 1048 CG LYS A 64 4.013 -18.297 -7.577 1.00 41.41 C ATOM 1049 CD LYS A 64 4.552 -19.656 -7.092 1.00 4.15 C ATOM 1050 CE LYS A 64 4.082 -20.016 -5.671 1.00 12.41 C ATOM 1051 NZ LYS A 64 4.540 -19.057 -4.651 1.00 73.25 N ATOM 0 H LYS A 64 2.727 -15.844 -6.532 1.00 64.15 H new ATOM 0 HA LYS A 64 2.024 -16.929 -9.149 1.00 73.23 H new ATOM 0 HB2 LYS A 64 2.204 -18.317 -6.438 1.00 51.50 H new ATOM 0 HB3 LYS A 64 2.082 -19.113 -7.995 1.00 51.50 H new ATOM 0 HG2 LYS A 64 4.325 -18.127 -8.607 1.00 41.41 H new ATOM 0 HG3 LYS A 64 4.445 -17.497 -6.976 1.00 41.41 H new ATOM 0 HD2 LYS A 64 4.232 -20.436 -7.783 1.00 4.15 H new ATOM 0 HD3 LYS A 64 5.642 -19.638 -7.115 1.00 4.15 H new ATOM 0 HE2 LYS A 64 2.993 -20.062 -5.655 1.00 12.41 H new ATOM 0 HE3 LYS A 64 4.446 -21.011 -5.415 1.00 12.41 H new ATOM 0 HZ1 LYS A 64 4.193 -19.352 -3.716 1.00 73.25 H new ATOM 0 HZ2 LYS A 64 5.580 -19.030 -4.642 1.00 73.25 H new ATOM 0 HZ3 LYS A 64 4.171 -18.110 -4.874 1.00 73.25 H new ATOM 1065 N LEU A 65 -0.208 -16.177 -7.004 1.00 21.32 N ATOM 1066 CA LEU A 65 -1.572 -16.288 -6.481 1.00 44.30 C ATOM 1067 C LEU A 65 -2.644 -15.573 -7.346 1.00 41.21 C ATOM 1068 O LEU A 65 -3.791 -16.046 -7.438 1.00 72.11 O ATOM 1069 CB LEU A 65 -1.560 -15.832 -4.988 1.00 55.42 C ATOM 1070 CG LEU A 65 -2.858 -15.909 -4.150 1.00 20.13 C ATOM 1071 CD1 LEU A 65 -2.498 -15.821 -2.681 1.00 64.32 C ATOM 1072 CD2 LEU A 65 -3.799 -14.754 -4.475 1.00 13.52 C ATOM 0 H LEU A 65 0.294 -15.347 -6.688 1.00 21.32 H new ATOM 0 HA LEU A 65 -1.884 -17.331 -6.534 1.00 44.30 H new ATOM 0 HB2 LEU A 65 -0.805 -16.426 -4.473 1.00 55.42 H new ATOM 0 HB3 LEU A 65 -1.220 -14.796 -4.967 1.00 55.42 H new ATOM 0 HG LEU A 65 -3.357 -16.849 -4.383 1.00 20.13 H new ATOM 0 HD11 LEU A 65 -3.406 -15.874 -2.080 1.00 64.32 H new ATOM 0 HD12 LEU A 65 -1.839 -16.649 -2.418 1.00 64.32 H new ATOM 0 HD13 LEU A 65 -1.989 -14.877 -2.487 1.00 64.32 H new ATOM 0 HD21 LEU A 65 -4.701 -14.838 -3.869 1.00 13.52 H new ATOM 0 HD22 LEU A 65 -3.303 -13.808 -4.258 1.00 13.52 H new ATOM 0 HD23 LEU A 65 -4.067 -14.789 -5.531 1.00 13.52 H new ATOM 1084 N TYR A 66 -2.297 -14.473 -7.973 1.00 24.20 N ATOM 1085 CA TYR A 66 -3.274 -13.711 -8.769 1.00 65.35 C ATOM 1086 C TYR A 66 -2.497 -12.964 -9.870 1.00 31.30 C ATOM 1087 O TYR A 66 -1.278 -13.099 -9.940 1.00 70.32 O ATOM 1088 CB TYR A 66 -4.018 -12.697 -7.835 1.00 24.40 C ATOM 1089 CG TYR A 66 -3.199 -11.505 -7.471 1.00 51.42 C ATOM 1090 CD1 TYR A 66 -2.061 -11.629 -6.749 1.00 72.55 C ATOM 1091 CD2 TYR A 66 -3.561 -10.259 -7.895 1.00 14.14 C ATOM 1092 CE1 TYR A 66 -1.311 -10.546 -6.453 1.00 34.33 C ATOM 1093 CE2 TYR A 66 -2.804 -9.162 -7.599 1.00 24.35 C ATOM 1094 CZ TYR A 66 -1.675 -9.325 -6.871 1.00 11.52 C ATOM 1095 OH TYR A 66 -0.886 -8.260 -6.561 1.00 74.42 O ATOM 0 H TYR A 66 -1.358 -14.076 -7.958 1.00 24.20 H new ATOM 0 HA TYR A 66 -4.016 -14.369 -9.221 1.00 65.35 H new ATOM 0 HB2 TYR A 66 -4.930 -12.363 -8.330 1.00 24.40 H new ATOM 0 HB3 TYR A 66 -4.320 -13.211 -6.923 1.00 24.40 H new ATOM 0 HD1 TYR A 66 -1.750 -12.605 -6.406 1.00 72.55 H new ATOM 0 HD2 TYR A 66 -4.464 -10.139 -8.476 1.00 14.14 H new ATOM 0 HE1 TYR A 66 -0.408 -10.664 -5.873 1.00 34.33 H new ATOM 0 HE2 TYR A 66 -3.101 -8.181 -7.940 1.00 24.35 H new ATOM 0 HH TYR A 66 -1.173 -7.878 -5.706 1.00 74.42 H new ATOM 1105 N LYS A 67 -3.176 -12.188 -10.715 1.00 35.52 N ATOM 1106 CA LYS A 67 -2.470 -11.396 -11.737 1.00 64.31 C ATOM 1107 C LYS A 67 -1.939 -10.110 -11.129 1.00 10.33 C ATOM 1108 O LYS A 67 -2.709 -9.284 -10.649 1.00 32.04 O ATOM 1109 CB LYS A 67 -3.360 -11.063 -12.930 1.00 11.44 C ATOM 1110 CG LYS A 67 -3.913 -12.268 -13.665 1.00 42.11 C ATOM 1111 CD LYS A 67 -4.626 -11.851 -14.944 1.00 72.12 C ATOM 1112 CE LYS A 67 -5.797 -10.920 -14.689 1.00 72.44 C ATOM 1113 NZ LYS A 67 -6.421 -10.487 -15.954 1.00 12.45 N ATOM 0 H LYS A 67 -4.191 -12.087 -10.719 1.00 35.52 H new ATOM 0 HA LYS A 67 -1.643 -12.008 -12.099 1.00 64.31 H new ATOM 0 HB2 LYS A 67 -4.194 -10.452 -12.584 1.00 11.44 H new ATOM 0 HB3 LYS A 67 -2.790 -10.456 -13.633 1.00 11.44 H new ATOM 0 HG2 LYS A 67 -3.102 -12.955 -13.905 1.00 42.11 H new ATOM 0 HG3 LYS A 67 -4.606 -12.806 -13.018 1.00 42.11 H new ATOM 0 HD2 LYS A 67 -3.914 -11.359 -15.607 1.00 72.12 H new ATOM 0 HD3 LYS A 67 -4.982 -12.741 -15.463 1.00 72.12 H new ATOM 0 HE2 LYS A 67 -6.538 -11.425 -14.069 1.00 72.44 H new ATOM 0 HE3 LYS A 67 -5.456 -10.048 -14.131 1.00 72.44 H new ATOM 0 HZ1 LYS A 67 -7.218 -9.852 -15.748 1.00 12.45 H new ATOM 0 HZ2 LYS A 67 -5.719 -9.985 -16.533 1.00 12.45 H new ATOM 0 HZ3 LYS A 67 -6.767 -11.319 -16.473 1.00 12.45 H new ATOM 1127 N VAL A 68 -0.640 -9.932 -11.191 1.00 72.31 N ATOM 1128 CA VAL A 68 0.027 -8.810 -10.539 1.00 20.12 C ATOM 1129 C VAL A 68 0.705 -7.998 -11.649 1.00 3.11 C ATOM 1130 O VAL A 68 1.214 -8.594 -12.598 1.00 31.41 O ATOM 1131 CB VAL A 68 1.135 -9.329 -9.558 1.00 73.41 C ATOM 1132 CG1 VAL A 68 1.481 -8.340 -8.464 1.00 55.42 C ATOM 1133 CG2 VAL A 68 0.832 -10.695 -8.995 1.00 34.52 C ATOM 0 H VAL A 68 -0.009 -10.556 -11.693 1.00 72.31 H new ATOM 0 HA VAL A 68 -0.691 -8.217 -9.973 1.00 20.12 H new ATOM 0 HB VAL A 68 2.027 -9.432 -10.176 1.00 73.41 H new ATOM 0 HG11 VAL A 68 2.254 -8.763 -7.822 1.00 55.42 H new ATOM 0 HG12 VAL A 68 1.847 -7.416 -8.911 1.00 55.42 H new ATOM 0 HG13 VAL A 68 0.592 -8.128 -7.870 1.00 55.42 H new ATOM 0 HG21 VAL A 68 1.636 -10.998 -8.324 1.00 34.52 H new ATOM 0 HG22 VAL A 68 -0.108 -10.661 -8.444 1.00 34.52 H new ATOM 0 HG23 VAL A 68 0.749 -11.414 -9.810 1.00 34.52 H new ATOM 1143 N PRO A 69 0.708 -6.649 -11.574 1.00 31.35 N ATOM 1144 CA PRO A 69 1.286 -5.795 -12.631 1.00 13.12 C ATOM 1145 C PRO A 69 2.803 -5.998 -12.848 1.00 55.24 C ATOM 1146 O PRO A 69 3.221 -6.561 -13.869 1.00 73.23 O ATOM 1147 CB PRO A 69 0.983 -4.365 -12.158 1.00 52.42 C ATOM 1148 CG PRO A 69 0.728 -4.488 -10.694 1.00 73.23 C ATOM 1149 CD PRO A 69 0.126 -5.846 -10.488 1.00 22.44 C ATOM 0 HA PRO A 69 0.854 -6.038 -13.602 1.00 13.12 H new ATOM 0 HB2 PRO A 69 1.821 -3.697 -12.358 1.00 52.42 H new ATOM 0 HB3 PRO A 69 0.117 -3.953 -12.676 1.00 52.42 H new ATOM 0 HG2 PRO A 69 1.653 -4.382 -10.127 1.00 73.23 H new ATOM 0 HG3 PRO A 69 0.052 -3.706 -10.349 1.00 73.23 H new ATOM 0 HD2 PRO A 69 0.379 -6.253 -9.509 1.00 22.44 H new ATOM 0 HD3 PRO A 69 -0.962 -5.816 -10.550 1.00 22.44 H new ATOM 1157 N ASP A 70 3.606 -5.557 -11.890 1.00 60.55 N ATOM 1158 CA ASP A 70 5.054 -5.664 -11.970 1.00 72.44 C ATOM 1159 C ASP A 70 5.621 -5.531 -10.552 1.00 54.30 C ATOM 1160 O ASP A 70 4.836 -5.391 -9.597 1.00 43.51 O ATOM 1161 CB ASP A 70 5.623 -4.603 -12.954 1.00 63.31 C ATOM 1162 CG ASP A 70 7.119 -4.705 -13.168 1.00 51.41 C ATOM 1163 OD1 ASP A 70 7.613 -5.816 -13.429 1.00 20.21 O ATOM 1164 OD2 ASP A 70 7.813 -3.672 -13.109 1.00 22.43 O ATOM 0 H ASP A 70 3.270 -5.114 -11.035 1.00 60.55 H new ATOM 0 HA ASP A 70 5.353 -6.633 -12.369 1.00 72.44 H new ATOM 0 HB2 ASP A 70 5.120 -4.707 -13.916 1.00 63.31 H new ATOM 0 HB3 ASP A 70 5.387 -3.608 -12.577 1.00 63.31 H new ATOM 1169 N PHE A 71 6.927 -5.596 -10.386 1.00 65.11 N ATOM 1170 CA PHE A 71 7.526 -5.580 -9.058 1.00 32.43 C ATOM 1171 C PHE A 71 8.667 -4.586 -8.948 1.00 20.54 C ATOM 1172 O PHE A 71 9.308 -4.268 -9.937 1.00 0.44 O ATOM 1173 CB PHE A 71 8.020 -6.983 -8.697 1.00 50.12 C ATOM 1174 CG PHE A 71 9.071 -7.554 -9.624 1.00 73.31 C ATOM 1175 CD1 PHE A 71 8.710 -8.166 -10.812 1.00 25.24 C ATOM 1176 CD2 PHE A 71 10.416 -7.470 -9.303 1.00 12.41 C ATOM 1177 CE1 PHE A 71 9.668 -8.678 -11.659 1.00 53.42 C ATOM 1178 CE2 PHE A 71 11.379 -7.982 -10.149 1.00 15.52 C ATOM 1179 CZ PHE A 71 11.004 -8.585 -11.329 1.00 13.11 C ATOM 0 H PHE A 71 7.598 -5.661 -11.152 1.00 65.11 H new ATOM 0 HA PHE A 71 6.754 -5.263 -8.357 1.00 32.43 H new ATOM 0 HB2 PHE A 71 8.425 -6.959 -7.685 1.00 50.12 H new ATOM 0 HB3 PHE A 71 7.165 -7.659 -8.682 1.00 50.12 H new ATOM 0 HD1 PHE A 71 7.666 -8.243 -11.078 1.00 25.24 H new ATOM 0 HD2 PHE A 71 10.715 -6.998 -8.379 1.00 12.41 H new ATOM 0 HE1 PHE A 71 9.373 -9.153 -12.583 1.00 53.42 H new ATOM 0 HE2 PHE A 71 12.424 -7.910 -9.886 1.00 15.52 H new ATOM 0 HZ PHE A 71 11.755 -8.984 -11.995 1.00 13.11 H new ATOM 1189 N PRO A 72 8.928 -4.082 -7.734 1.00 31.24 N ATOM 1190 CA PRO A 72 10.044 -3.175 -7.483 1.00 54.42 C ATOM 1191 C PRO A 72 11.394 -3.917 -7.467 1.00 34.41 C ATOM 1192 O PRO A 72 11.448 -5.135 -7.251 1.00 32.13 O ATOM 1193 CB PRO A 72 9.732 -2.631 -6.093 1.00 63.44 C ATOM 1194 CG PRO A 72 8.963 -3.712 -5.429 1.00 73.25 C ATOM 1195 CD PRO A 72 8.141 -4.342 -6.506 1.00 21.15 C ATOM 0 HA PRO A 72 10.139 -2.409 -8.253 1.00 54.42 H new ATOM 0 HB2 PRO A 72 10.645 -2.400 -5.544 1.00 63.44 H new ATOM 0 HB3 PRO A 72 9.152 -1.710 -6.149 1.00 63.44 H new ATOM 0 HG2 PRO A 72 9.630 -4.441 -4.968 1.00 73.25 H new ATOM 0 HG3 PRO A 72 8.330 -3.313 -4.636 1.00 73.25 H new ATOM 0 HD2 PRO A 72 8.004 -5.410 -6.335 1.00 21.15 H new ATOM 0 HD3 PRO A 72 7.147 -3.899 -6.564 1.00 21.15 H new ATOM 1203 N SER A 73 12.462 -3.180 -7.683 1.00 3.13 N ATOM 1204 CA SER A 73 13.797 -3.735 -7.720 1.00 4.52 C ATOM 1205 C SER A 73 14.360 -3.835 -6.280 1.00 34.40 C ATOM 1206 O SER A 73 13.758 -3.307 -5.332 1.00 72.10 O ATOM 1207 CB SER A 73 14.676 -2.823 -8.596 1.00 73.43 C ATOM 1208 OG SER A 73 15.964 -3.373 -8.855 1.00 23.11 O ATOM 0 H SER A 73 12.428 -2.173 -7.839 1.00 3.13 H new ATOM 0 HA SER A 73 13.785 -4.739 -8.145 1.00 4.52 H new ATOM 0 HB2 SER A 73 14.168 -2.639 -9.543 1.00 73.43 H new ATOM 0 HB3 SER A 73 14.792 -1.857 -8.104 1.00 73.43 H new ATOM 0 HG SER A 73 16.477 -2.754 -9.415 1.00 23.11 H new ATOM 1214 N LYS A 74 15.495 -4.516 -6.123 1.00 22.55 N ATOM 1215 CA LYS A 74 16.124 -4.671 -4.812 1.00 63.42 C ATOM 1216 C LYS A 74 16.962 -3.440 -4.480 1.00 72.44 C ATOM 1217 O LYS A 74 16.770 -2.799 -3.441 1.00 60.42 O ATOM 1218 CB LYS A 74 17.028 -5.917 -4.793 1.00 64.34 C ATOM 1219 CG LYS A 74 17.722 -6.160 -3.449 1.00 44.22 C ATOM 1220 CD LYS A 74 18.735 -7.307 -3.521 1.00 40.02 C ATOM 1221 CE LYS A 74 18.091 -8.639 -3.888 1.00 43.42 C ATOM 1222 NZ LYS A 74 17.094 -9.077 -2.884 1.00 12.00 N ATOM 0 H LYS A 74 15.997 -4.969 -6.887 1.00 22.55 H new ATOM 0 HA LYS A 74 15.336 -4.786 -4.068 1.00 63.42 H new ATOM 0 HB2 LYS A 74 16.429 -6.792 -5.045 1.00 64.34 H new ATOM 0 HB3 LYS A 74 17.786 -5.815 -5.569 1.00 64.34 H new ATOM 0 HG2 LYS A 74 18.230 -5.248 -3.134 1.00 44.22 H new ATOM 0 HG3 LYS A 74 16.973 -6.386 -2.690 1.00 44.22 H new ATOM 0 HD2 LYS A 74 19.501 -7.064 -4.257 1.00 40.02 H new ATOM 0 HD3 LYS A 74 19.237 -7.404 -2.558 1.00 40.02 H new ATOM 0 HE2 LYS A 74 17.608 -8.551 -4.861 1.00 43.42 H new ATOM 0 HE3 LYS A 74 18.865 -9.400 -3.984 1.00 43.42 H new ATOM 0 HZ1 LYS A 74 16.783 -10.045 -3.103 1.00 12.00 H new ATOM 0 HZ2 LYS A 74 17.523 -9.057 -1.937 1.00 12.00 H new ATOM 0 HZ3 LYS A 74 16.275 -8.437 -2.906 1.00 12.00 H new ATOM 1236 N ARG A 75 17.888 -3.115 -5.365 1.00 63.40 N ATOM 1237 CA ARG A 75 18.761 -1.982 -5.181 1.00 3.02 C ATOM 1238 C ARG A 75 18.050 -0.738 -5.666 1.00 1.45 C ATOM 1239 O ARG A 75 17.544 -0.698 -6.792 1.00 42.34 O ATOM 1240 CB ARG A 75 20.121 -2.220 -5.925 1.00 21.33 C ATOM 1241 CG ARG A 75 21.207 -1.116 -5.776 1.00 35.40 C ATOM 1242 CD ARG A 75 20.845 0.173 -6.512 1.00 23.13 C ATOM 1243 NE ARG A 75 21.832 1.232 -6.348 1.00 13.32 N ATOM 1244 CZ ARG A 75 21.778 2.413 -6.980 1.00 2.11 C ATOM 1245 NH1 ARG A 75 20.777 2.677 -7.826 1.00 44.22 N ATOM 1246 NH2 ARG A 75 22.713 3.323 -6.765 1.00 71.34 N ATOM 0 H ARG A 75 18.051 -3.632 -6.229 1.00 63.40 H new ATOM 0 HA ARG A 75 18.999 -1.850 -4.126 1.00 3.02 H new ATOM 0 HB2 ARG A 75 20.542 -3.160 -5.570 1.00 21.33 H new ATOM 0 HB3 ARG A 75 19.909 -2.347 -6.987 1.00 21.33 H new ATOM 0 HG2 ARG A 75 21.353 -0.896 -4.718 1.00 35.40 H new ATOM 0 HG3 ARG A 75 22.156 -1.493 -6.157 1.00 35.40 H new ATOM 0 HD2 ARG A 75 20.730 -0.044 -7.574 1.00 23.13 H new ATOM 0 HD3 ARG A 75 19.879 0.528 -6.153 1.00 23.13 H new ATOM 0 HE ARG A 75 22.612 1.064 -5.713 1.00 13.32 H new ATOM 0 HH11 ARG A 75 20.052 1.979 -7.992 1.00 44.22 H new ATOM 0 HH12 ARG A 75 20.738 3.576 -8.306 1.00 44.22 H new ATOM 0 HH21 ARG A 75 23.476 3.127 -6.118 1.00 71.34 H new ATOM 0 HH22 ARG A 75 22.671 4.221 -7.247 1.00 71.34 H new ATOM 1260 N LEU A 76 18.023 0.267 -4.833 1.00 63.05 N ATOM 1261 CA LEU A 76 17.347 1.495 -5.145 1.00 35.14 C ATOM 1262 C LEU A 76 18.344 2.653 -5.133 1.00 41.24 C ATOM 1263 O LEU A 76 19.430 2.524 -4.561 1.00 23.44 O ATOM 1264 CB LEU A 76 16.258 1.731 -4.106 1.00 52.34 C ATOM 1265 CG LEU A 76 15.245 0.604 -3.946 1.00 51.25 C ATOM 1266 CD1 LEU A 76 14.235 0.955 -2.885 1.00 51.42 C ATOM 1267 CD2 LEU A 76 14.552 0.315 -5.273 1.00 3.35 C ATOM 0 H LEU A 76 18.471 0.256 -3.917 1.00 63.05 H new ATOM 0 HA LEU A 76 16.900 1.432 -6.137 1.00 35.14 H new ATOM 0 HB2 LEU A 76 16.734 1.908 -3.141 1.00 52.34 H new ATOM 0 HB3 LEU A 76 15.722 2.643 -4.369 1.00 52.34 H new ATOM 0 HG LEU A 76 15.774 -0.297 -3.634 1.00 51.25 H new ATOM 0 HD11 LEU A 76 13.518 0.141 -2.782 1.00 51.42 H new ATOM 0 HD12 LEU A 76 14.745 1.112 -1.935 1.00 51.42 H new ATOM 0 HD13 LEU A 76 13.710 1.867 -3.170 1.00 51.42 H new ATOM 0 HD21 LEU A 76 13.832 -0.493 -5.139 1.00 3.35 H new ATOM 0 HD22 LEU A 76 14.033 1.211 -5.615 1.00 3.35 H new ATOM 0 HD23 LEU A 76 15.294 0.020 -6.015 1.00 3.35 H new ATOM 1279 N PRO A 77 18.011 3.786 -5.785 1.00 53.23 N ATOM 1280 CA PRO A 77 18.859 4.985 -5.775 1.00 40.30 C ATOM 1281 C PRO A 77 19.072 5.508 -4.350 1.00 24.12 C ATOM 1282 O PRO A 77 18.330 5.156 -3.431 1.00 2.31 O ATOM 1283 CB PRO A 77 18.053 6.013 -6.586 1.00 14.10 C ATOM 1284 CG PRO A 77 17.117 5.206 -7.408 1.00 33.31 C ATOM 1285 CD PRO A 77 16.792 3.989 -6.598 1.00 31.13 C ATOM 0 HA PRO A 77 19.850 4.786 -6.182 1.00 40.30 H new ATOM 0 HB2 PRO A 77 17.514 6.697 -5.931 1.00 14.10 H new ATOM 0 HB3 PRO A 77 18.706 6.620 -7.213 1.00 14.10 H new ATOM 0 HG2 PRO A 77 16.215 5.772 -7.639 1.00 33.31 H new ATOM 0 HG3 PRO A 77 17.573 4.930 -8.359 1.00 33.31 H new ATOM 0 HD2 PRO A 77 15.913 4.145 -5.973 1.00 31.13 H new ATOM 0 HD3 PRO A 77 16.583 3.127 -7.232 1.00 31.13 H new ATOM 1293 N ASN A 78 20.083 6.343 -4.163 1.00 2.22 N ATOM 1294 CA ASN A 78 20.362 6.939 -2.838 1.00 51.40 C ATOM 1295 C ASN A 78 19.307 7.987 -2.476 1.00 71.42 C ATOM 1296 O ASN A 78 19.381 8.616 -1.427 1.00 52.43 O ATOM 1297 CB ASN A 78 21.761 7.583 -2.786 1.00 15.21 C ATOM 1298 CG ASN A 78 22.897 6.598 -2.984 1.00 65.40 C ATOM 1299 OD1 ASN A 78 22.791 5.421 -2.641 1.00 25.32 O ATOM 1300 ND2 ASN A 78 23.990 7.066 -3.541 1.00 63.32 N ATOM 0 H ASN A 78 20.728 6.630 -4.899 1.00 2.22 H new ATOM 0 HA ASN A 78 20.327 6.127 -2.112 1.00 51.40 H new ATOM 0 HB2 ASN A 78 21.824 8.355 -3.553 1.00 15.21 H new ATOM 0 HB3 ASN A 78 21.887 8.079 -1.824 1.00 15.21 H new ATOM 0 HD21 ASN A 78 24.785 6.448 -3.702 1.00 63.32 H new ATOM 0 HD22 ASN A 78 24.044 8.048 -3.813 1.00 63.32 H new ATOM 1307 N TRP A 79 18.347 8.189 -3.393 1.00 32.41 N ATOM 1308 CA TRP A 79 17.196 9.117 -3.264 1.00 41.14 C ATOM 1309 C TRP A 79 17.601 10.572 -3.378 1.00 64.52 C ATOM 1310 O TRP A 79 16.781 11.436 -3.593 1.00 72.32 O ATOM 1311 CB TRP A 79 16.338 8.843 -2.029 1.00 33.33 C ATOM 1312 CG TRP A 79 15.839 7.433 -1.986 1.00 51.21 C ATOM 1313 CD1 TRP A 79 16.042 6.533 -0.992 1.00 24.41 C ATOM 1314 CD2 TRP A 79 15.104 6.737 -3.014 1.00 0.32 C ATOM 1315 NE1 TRP A 79 15.461 5.341 -1.310 1.00 31.05 N ATOM 1316 CE2 TRP A 79 14.886 5.440 -2.546 1.00 4.25 C ATOM 1317 CE3 TRP A 79 14.595 7.086 -4.284 1.00 14.20 C ATOM 1318 CZ2 TRP A 79 14.204 4.498 -3.279 1.00 52.24 C ATOM 1319 CZ3 TRP A 79 13.923 6.139 -5.006 1.00 44.50 C ATOM 1320 CH2 TRP A 79 13.732 4.858 -4.501 1.00 63.33 C ATOM 0 H TRP A 79 18.345 7.693 -4.284 1.00 32.41 H new ATOM 0 HA TRP A 79 16.556 8.910 -4.122 1.00 41.14 H new ATOM 0 HB2 TRP A 79 16.922 9.047 -1.131 1.00 33.33 H new ATOM 0 HB3 TRP A 79 15.489 9.527 -2.020 1.00 33.33 H new ATOM 0 HD1 TRP A 79 16.585 6.732 -0.080 1.00 24.41 H new ATOM 0 HE1 TRP A 79 15.456 4.509 -0.720 1.00 31.05 H new ATOM 0 HE3 TRP A 79 14.734 8.082 -4.678 1.00 14.20 H new ATOM 0 HZ2 TRP A 79 14.048 3.501 -2.895 1.00 52.24 H new ATOM 0 HZ3 TRP A 79 13.535 6.390 -5.982 1.00 44.50 H new ATOM 0 HH2 TRP A 79 13.196 4.132 -5.094 1.00 63.33 H new ATOM 1331 N ARG A 80 18.856 10.823 -3.193 1.00 21.43 N ATOM 1332 CA ARG A 80 19.439 12.113 -3.465 1.00 13.11 C ATOM 1333 C ARG A 80 19.622 12.207 -4.983 1.00 23.21 C ATOM 1334 O ARG A 80 19.603 13.278 -5.575 1.00 33.25 O ATOM 1335 CB ARG A 80 20.784 12.211 -2.747 1.00 14.02 C ATOM 1336 CG ARG A 80 21.478 13.553 -2.860 1.00 40.33 C ATOM 1337 CD ARG A 80 22.774 13.538 -2.076 1.00 14.11 C ATOM 1338 NE ARG A 80 23.446 14.838 -2.073 1.00 52.50 N ATOM 1339 CZ ARG A 80 24.348 15.215 -1.156 1.00 1.22 C ATOM 1340 NH1 ARG A 80 24.685 14.388 -0.165 1.00 44.11 N ATOM 1341 NH2 ARG A 80 24.907 16.412 -1.232 1.00 71.42 N ATOM 0 H ARG A 80 19.522 10.133 -2.844 1.00 21.43 H new ATOM 0 HA ARG A 80 18.808 12.929 -3.113 1.00 13.11 H new ATOM 0 HB2 ARG A 80 20.632 11.986 -1.691 1.00 14.02 H new ATOM 0 HB3 ARG A 80 21.447 11.442 -3.144 1.00 14.02 H new ATOM 0 HG2 ARG A 80 21.680 13.779 -3.907 1.00 40.33 H new ATOM 0 HG3 ARG A 80 20.826 14.341 -2.484 1.00 40.33 H new ATOM 0 HD2 ARG A 80 22.569 13.237 -1.049 1.00 14.11 H new ATOM 0 HD3 ARG A 80 23.442 12.789 -2.501 1.00 14.11 H new ATOM 0 HE ARG A 80 23.214 15.498 -2.815 1.00 52.50 H new ATOM 0 HH11 ARG A 80 24.256 13.465 -0.103 1.00 44.11 H new ATOM 0 HH12 ARG A 80 25.372 14.679 0.531 1.00 44.11 H new ATOM 0 HH21 ARG A 80 24.651 17.047 -1.988 1.00 71.42 H new ATOM 0 HH22 ARG A 80 25.593 16.700 -0.534 1.00 71.42 H new ATOM 1355 N THR A 81 19.782 11.034 -5.573 1.00 74.41 N ATOM 1356 CA THR A 81 20.017 10.820 -6.983 1.00 52.42 C ATOM 1357 C THR A 81 18.851 11.347 -7.862 1.00 34.25 C ATOM 1358 O THR A 81 19.070 11.850 -8.966 1.00 34.11 O ATOM 1359 CB THR A 81 20.106 9.306 -7.198 1.00 53.43 C ATOM 1360 OG1 THR A 81 20.872 8.730 -6.123 1.00 42.24 O ATOM 1361 CG2 THR A 81 20.778 8.977 -8.527 1.00 61.24 C ATOM 0 H THR A 81 19.749 10.160 -5.048 1.00 74.41 H new ATOM 0 HA THR A 81 20.925 11.351 -7.268 1.00 52.42 H new ATOM 0 HB THR A 81 19.097 8.895 -7.215 1.00 53.43 H new ATOM 0 HG1 THR A 81 21.206 7.850 -6.394 1.00 42.24 H new ATOM 0 HG21 THR A 81 20.827 7.895 -8.652 1.00 61.24 H new ATOM 0 HG22 THR A 81 20.201 9.411 -9.344 1.00 61.24 H new ATOM 0 HG23 THR A 81 21.787 9.389 -8.536 1.00 61.24 H new ATOM 1369 N ARG A 82 17.635 11.235 -7.361 1.00 3.33 N ATOM 1370 CA ARG A 82 16.450 11.545 -8.145 1.00 30.31 C ATOM 1371 C ARG A 82 15.356 11.958 -7.172 1.00 21.05 C ATOM 1372 O ARG A 82 15.507 11.746 -5.976 1.00 54.12 O ATOM 1373 CB ARG A 82 16.027 10.249 -8.891 1.00 42.23 C ATOM 1374 CG ARG A 82 14.913 10.371 -9.950 1.00 50.25 C ATOM 1375 CD ARG A 82 15.355 11.151 -11.197 1.00 10.50 C ATOM 1376 NE ARG A 82 15.576 12.582 -10.953 1.00 53.31 N ATOM 1377 CZ ARG A 82 16.558 13.309 -11.491 1.00 0.32 C ATOM 1378 NH1 ARG A 82 17.497 12.729 -12.220 1.00 20.25 N ATOM 1379 NH2 ARG A 82 16.600 14.611 -11.280 1.00 45.44 N ATOM 0 H ARG A 82 17.440 10.929 -6.408 1.00 3.33 H new ATOM 0 HA ARG A 82 16.632 12.344 -8.864 1.00 30.31 H new ATOM 0 HB2 ARG A 82 16.911 9.837 -9.378 1.00 42.23 H new ATOM 0 HB3 ARG A 82 15.705 9.521 -8.146 1.00 42.23 H new ATOM 0 HG2 ARG A 82 14.591 9.373 -10.247 1.00 50.25 H new ATOM 0 HG3 ARG A 82 14.049 10.866 -9.506 1.00 50.25 H new ATOM 0 HD2 ARG A 82 16.275 10.711 -11.582 1.00 10.50 H new ATOM 0 HD3 ARG A 82 14.598 11.037 -11.973 1.00 10.50 H new ATOM 0 HE ARG A 82 14.929 13.057 -10.324 1.00 53.31 H new ATOM 0 HH11 ARG A 82 17.473 11.721 -12.374 1.00 20.25 H new ATOM 0 HH12 ARG A 82 18.245 13.290 -12.628 1.00 20.25 H new ATOM 0 HH21 ARG A 82 15.884 15.058 -10.708 1.00 45.44 H new ATOM 0 HH22 ARG A 82 17.349 15.170 -11.689 1.00 45.44 H new ATOM 1393 N GLY A 83 14.283 12.543 -7.668 1.00 43.35 N ATOM 1394 CA GLY A 83 13.185 12.910 -6.816 1.00 44.20 C ATOM 1395 C GLY A 83 12.483 11.689 -6.298 1.00 64.51 C ATOM 1396 O GLY A 83 12.404 10.661 -6.994 1.00 12.14 O ATOM 0 H GLY A 83 14.155 12.771 -8.654 1.00 43.35 H new ATOM 0 HA2 GLY A 83 13.551 13.507 -5.981 1.00 44.20 H new ATOM 0 HA3 GLY A 83 12.482 13.533 -7.369 1.00 44.20 H new ATOM 1400 N LEU A 84 11.949 11.791 -5.110 1.00 55.51 N ATOM 1401 CA LEU A 84 11.331 10.663 -4.450 1.00 5.20 C ATOM 1402 C LEU A 84 9.963 10.370 -5.111 1.00 74.00 C ATOM 1403 O LEU A 84 9.394 9.278 -4.965 1.00 11.40 O ATOM 1404 CB LEU A 84 11.230 10.976 -2.931 1.00 54.01 C ATOM 1405 CG LEU A 84 11.077 9.801 -1.934 1.00 23.44 C ATOM 1406 CD1 LEU A 84 9.755 9.061 -2.056 1.00 12.04 C ATOM 1407 CD2 LEU A 84 12.241 8.845 -2.094 1.00 64.51 C ATOM 0 H LEU A 84 11.928 12.656 -4.570 1.00 55.51 H new ATOM 0 HA LEU A 84 11.927 9.757 -4.557 1.00 5.20 H new ATOM 0 HB2 LEU A 84 12.123 11.533 -2.649 1.00 54.01 H new ATOM 0 HB3 LEU A 84 10.380 11.643 -2.788 1.00 54.01 H new ATOM 0 HG LEU A 84 11.080 10.234 -0.934 1.00 23.44 H new ATOM 0 HD11 LEU A 84 9.722 8.252 -1.326 1.00 12.04 H new ATOM 0 HD12 LEU A 84 8.933 9.752 -1.870 1.00 12.04 H new ATOM 0 HD13 LEU A 84 9.661 8.647 -3.060 1.00 12.04 H new ATOM 0 HD21 LEU A 84 12.132 8.018 -1.392 1.00 64.51 H new ATOM 0 HD22 LEU A 84 12.255 8.456 -3.112 1.00 64.51 H new ATOM 0 HD23 LEU A 84 13.174 9.371 -1.893 1.00 64.51 H new ATOM 1419 N GLU A 85 9.466 11.348 -5.870 1.00 30.01 N ATOM 1420 CA GLU A 85 8.212 11.214 -6.619 1.00 64.22 C ATOM 1421 C GLU A 85 8.252 9.977 -7.525 1.00 13.11 C ATOM 1422 O GLU A 85 7.236 9.304 -7.708 1.00 34.10 O ATOM 1423 CB GLU A 85 7.899 12.467 -7.475 1.00 42.23 C ATOM 1424 CG GLU A 85 7.714 13.788 -6.709 1.00 74.14 C ATOM 1425 CD GLU A 85 8.975 14.281 -6.038 1.00 61.24 C ATOM 1426 OE1 GLU A 85 9.801 14.920 -6.713 1.00 21.13 O ATOM 1427 OE2 GLU A 85 9.164 14.016 -4.841 1.00 75.24 O ATOM 0 H GLU A 85 9.919 12.255 -5.984 1.00 30.01 H new ATOM 0 HA GLU A 85 7.418 11.105 -5.880 1.00 64.22 H new ATOM 0 HB2 GLU A 85 8.706 12.600 -8.195 1.00 42.23 H new ATOM 0 HB3 GLU A 85 6.991 12.273 -8.046 1.00 42.23 H new ATOM 0 HG2 GLU A 85 7.358 14.552 -7.400 1.00 74.14 H new ATOM 0 HG3 GLU A 85 6.939 13.655 -5.954 1.00 74.14 H new ATOM 1434 N GLN A 86 9.445 9.671 -8.060 1.00 43.11 N ATOM 1435 CA GLN A 86 9.644 8.495 -8.912 1.00 25.41 C ATOM 1436 C GLN A 86 9.260 7.236 -8.151 1.00 31.10 C ATOM 1437 O GLN A 86 8.495 6.391 -8.643 1.00 74.10 O ATOM 1438 CB GLN A 86 11.117 8.367 -9.328 1.00 5.11 C ATOM 1439 CG GLN A 86 11.387 7.134 -10.184 1.00 72.20 C ATOM 1440 CD GLN A 86 12.857 6.876 -10.423 1.00 45.22 C ATOM 1441 OE1 GLN A 86 13.508 6.168 -9.645 1.00 30.10 O ATOM 1442 NE2 GLN A 86 13.388 7.415 -11.485 1.00 13.40 N ATOM 0 H GLN A 86 10.288 10.227 -7.915 1.00 43.11 H new ATOM 0 HA GLN A 86 9.020 8.614 -9.798 1.00 25.41 H new ATOM 0 HB2 GLN A 86 11.412 9.259 -9.881 1.00 5.11 H new ATOM 0 HB3 GLN A 86 11.739 8.326 -8.434 1.00 5.11 H new ATOM 0 HG2 GLN A 86 10.947 6.262 -9.700 1.00 72.20 H new ATOM 0 HG3 GLN A 86 10.886 7.252 -11.145 1.00 72.20 H new ATOM 0 HE21 GLN A 86 12.818 7.993 -12.103 1.00 13.40 H new ATOM 0 HE22 GLN A 86 14.373 7.259 -11.698 1.00 13.40 H new ATOM 1451 N ARG A 87 9.780 7.136 -6.931 1.00 74.10 N ATOM 1452 CA ARG A 87 9.578 5.996 -6.110 1.00 32.03 C ATOM 1453 C ARG A 87 8.105 5.873 -5.774 1.00 15.45 C ATOM 1454 O ARG A 87 7.532 4.780 -5.824 1.00 25.15 O ATOM 1455 CB ARG A 87 10.431 6.117 -4.851 1.00 73.01 C ATOM 1456 CG ARG A 87 10.514 4.845 -4.025 1.00 55.43 C ATOM 1457 CD ARG A 87 9.663 4.863 -2.784 1.00 14.55 C ATOM 1458 NE ARG A 87 8.238 4.849 -3.065 1.00 24.13 N ATOM 1459 CZ ARG A 87 7.326 5.416 -2.314 1.00 1.32 C ATOM 1460 NH1 ARG A 87 7.695 6.105 -1.249 1.00 5.55 N ATOM 1461 NH2 ARG A 87 6.033 5.308 -2.633 1.00 71.13 N ATOM 0 H ARG A 87 10.354 7.861 -6.502 1.00 74.10 H new ATOM 0 HA ARG A 87 9.883 5.093 -6.638 1.00 32.03 H new ATOM 0 HB2 ARG A 87 11.439 6.416 -5.137 1.00 73.01 H new ATOM 0 HB3 ARG A 87 10.026 6.915 -4.228 1.00 73.01 H new ATOM 0 HG2 ARG A 87 10.214 4.001 -4.646 1.00 55.43 H new ATOM 0 HG3 ARG A 87 11.552 4.677 -3.739 1.00 55.43 H new ATOM 0 HD2 ARG A 87 9.913 4.000 -2.167 1.00 14.55 H new ATOM 0 HD3 ARG A 87 9.903 5.752 -2.200 1.00 14.55 H new ATOM 0 HE ARG A 87 7.925 4.364 -3.906 1.00 24.13 H new ATOM 0 HH11 ARG A 87 8.684 6.193 -1.016 1.00 5.55 H new ATOM 0 HH12 ARG A 87 6.991 6.549 -0.660 1.00 5.55 H new ATOM 0 HH21 ARG A 87 5.754 4.784 -3.462 1.00 71.13 H new ATOM 0 HH22 ARG A 87 5.325 5.750 -2.047 1.00 71.13 H new ATOM 1475 N ARG A 88 7.498 7.006 -5.375 1.00 72.43 N ATOM 1476 CA ARG A 88 6.056 7.081 -5.109 1.00 22.22 C ATOM 1477 C ARG A 88 5.272 6.456 -6.233 1.00 2.05 C ATOM 1478 O ARG A 88 4.485 5.538 -6.009 1.00 22.51 O ATOM 1479 CB ARG A 88 5.550 8.529 -5.010 1.00 1.20 C ATOM 1480 CG ARG A 88 6.132 9.416 -3.938 1.00 24.10 C ATOM 1481 CD ARG A 88 5.407 10.756 -3.988 1.00 32.42 C ATOM 1482 NE ARG A 88 5.895 11.732 -3.023 1.00 55.42 N ATOM 1483 CZ ARG A 88 5.169 12.767 -2.564 1.00 64.52 C ATOM 1484 NH1 ARG A 88 3.899 12.903 -2.919 1.00 41.02 N ATOM 1485 NH2 ARG A 88 5.714 13.650 -1.748 1.00 54.33 N ATOM 0 H ARG A 88 7.992 7.887 -5.230 1.00 72.43 H new ATOM 0 HA ARG A 88 5.911 6.559 -4.163 1.00 22.22 H new ATOM 0 HB2 ARG A 88 5.727 9.010 -5.972 1.00 1.20 H new ATOM 0 HB3 ARG A 88 4.470 8.495 -4.864 1.00 1.20 H new ATOM 0 HG2 ARG A 88 6.014 8.956 -2.957 1.00 24.10 H new ATOM 0 HG3 ARG A 88 7.201 9.555 -4.098 1.00 24.10 H new ATOM 0 HD2 ARG A 88 5.504 11.172 -4.991 1.00 32.42 H new ATOM 0 HD3 ARG A 88 4.344 10.589 -3.814 1.00 32.42 H new ATOM 0 HE ARG A 88 6.847 11.624 -2.673 1.00 55.42 H new ATOM 0 HH11 ARG A 88 3.468 12.221 -3.543 1.00 41.02 H new ATOM 0 HH12 ARG A 88 3.353 13.690 -2.568 1.00 41.02 H new ATOM 0 HH21 ARG A 88 6.688 13.548 -1.464 1.00 54.33 H new ATOM 0 HH22 ARG A 88 5.161 14.434 -1.402 1.00 54.33 H new ATOM 1499 N GLN A 89 5.545 6.929 -7.433 1.00 51.54 N ATOM 1500 CA GLN A 89 4.752 6.603 -8.604 1.00 42.30 C ATOM 1501 C GLN A 89 4.805 5.130 -8.946 1.00 61.33 C ATOM 1502 O GLN A 89 3.760 4.511 -9.138 1.00 61.12 O ATOM 1503 CB GLN A 89 5.156 7.458 -9.809 1.00 53.34 C ATOM 1504 CG GLN A 89 4.286 7.224 -11.035 1.00 33.24 C ATOM 1505 CD GLN A 89 4.667 8.086 -12.217 1.00 63.41 C ATOM 1506 OE1 GLN A 89 5.841 8.453 -12.402 1.00 73.34 O ATOM 1507 NE2 GLN A 89 3.691 8.430 -13.017 1.00 63.32 N ATOM 0 H GLN A 89 6.328 7.554 -7.625 1.00 51.54 H new ATOM 0 HA GLN A 89 3.718 6.836 -8.352 1.00 42.30 H new ATOM 0 HB2 GLN A 89 5.104 8.511 -9.532 1.00 53.34 H new ATOM 0 HB3 GLN A 89 6.194 7.246 -10.064 1.00 53.34 H new ATOM 0 HG2 GLN A 89 4.353 6.175 -11.324 1.00 33.24 H new ATOM 0 HG3 GLN A 89 3.245 7.417 -10.775 1.00 33.24 H new ATOM 0 HE21 GLN A 89 2.741 8.108 -12.831 1.00 63.32 H new ATOM 0 HE22 GLN A 89 3.880 9.020 -13.827 1.00 63.32 H new ATOM 1516 N GLY A 90 6.008 4.573 -8.999 1.00 52.41 N ATOM 1517 CA GLY A 90 6.162 3.167 -9.336 1.00 23.33 C ATOM 1518 C GLY A 90 5.419 2.261 -8.376 1.00 41.22 C ATOM 1519 O GLY A 90 4.614 1.418 -8.793 1.00 74.10 O ATOM 0 H GLY A 90 6.881 5.068 -8.815 1.00 52.41 H new ATOM 0 HA2 GLY A 90 5.797 2.996 -10.349 1.00 23.33 H new ATOM 0 HA3 GLY A 90 7.221 2.908 -9.331 1.00 23.33 H new ATOM 1523 N LEU A 91 5.643 2.469 -7.094 1.00 65.25 N ATOM 1524 CA LEU A 91 5.011 1.657 -6.063 1.00 54.13 C ATOM 1525 C LEU A 91 3.504 1.835 -6.050 1.00 64.11 C ATOM 1526 O LEU A 91 2.766 0.869 -5.892 1.00 2.20 O ATOM 1527 CB LEU A 91 5.629 1.890 -4.664 1.00 72.13 C ATOM 1528 CG LEU A 91 7.036 1.278 -4.390 1.00 72.23 C ATOM 1529 CD1 LEU A 91 6.989 -0.241 -4.419 1.00 44.24 C ATOM 1530 CD2 LEU A 91 8.074 1.779 -5.380 1.00 54.14 C ATOM 0 H LEU A 91 6.261 3.197 -6.736 1.00 65.25 H new ATOM 0 HA LEU A 91 5.212 0.617 -6.321 1.00 54.13 H new ATOM 0 HB2 LEU A 91 5.692 2.966 -4.498 1.00 72.13 H new ATOM 0 HB3 LEU A 91 4.938 1.493 -3.920 1.00 72.13 H new ATOM 0 HG LEU A 91 7.331 1.604 -3.393 1.00 72.23 H new ATOM 0 HD11 LEU A 91 7.985 -0.640 -4.225 1.00 44.24 H new ATOM 0 HD12 LEU A 91 6.299 -0.598 -3.654 1.00 44.24 H new ATOM 0 HD13 LEU A 91 6.649 -0.576 -5.399 1.00 44.24 H new ATOM 0 HD21 LEU A 91 9.040 1.328 -5.154 1.00 54.14 H new ATOM 0 HD22 LEU A 91 7.774 1.505 -6.392 1.00 54.14 H new ATOM 0 HD23 LEU A 91 8.154 2.864 -5.306 1.00 54.14 H new ATOM 1542 N GLU A 92 3.059 3.063 -6.251 1.00 70.05 N ATOM 1543 CA GLU A 92 1.640 3.375 -6.296 1.00 3.30 C ATOM 1544 C GLU A 92 0.994 2.668 -7.485 1.00 42.52 C ATOM 1545 O GLU A 92 -0.104 2.101 -7.375 1.00 62.42 O ATOM 1546 CB GLU A 92 1.448 4.884 -6.419 1.00 32.15 C ATOM 1547 CG GLU A 92 0.007 5.329 -6.433 1.00 30.03 C ATOM 1548 CD GLU A 92 -0.131 6.814 -6.615 1.00 11.45 C ATOM 1549 OE1 GLU A 92 -0.066 7.284 -7.775 1.00 72.51 O ATOM 1550 OE2 GLU A 92 -0.315 7.541 -5.615 1.00 54.55 O ATOM 0 H GLU A 92 3.668 3.870 -6.387 1.00 70.05 H new ATOM 0 HA GLU A 92 1.166 3.030 -5.377 1.00 3.30 H new ATOM 0 HB2 GLU A 92 1.958 5.372 -5.589 1.00 32.15 H new ATOM 0 HB3 GLU A 92 1.930 5.226 -7.335 1.00 32.15 H new ATOM 0 HG2 GLU A 92 -0.521 4.816 -7.237 1.00 30.03 H new ATOM 0 HG3 GLU A 92 -0.471 5.034 -5.499 1.00 30.03 H new ATOM 1557 N ALA A 93 1.713 2.676 -8.608 1.00 74.11 N ATOM 1558 CA ALA A 93 1.256 2.066 -9.840 1.00 12.12 C ATOM 1559 C ALA A 93 1.049 0.577 -9.672 1.00 42.22 C ATOM 1560 O ALA A 93 0.214 -0.018 -10.359 1.00 42.23 O ATOM 1561 CB ALA A 93 2.236 2.335 -10.967 1.00 71.45 C ATOM 0 H ALA A 93 2.633 3.110 -8.680 1.00 74.11 H new ATOM 0 HA ALA A 93 0.296 2.515 -10.095 1.00 12.12 H new ATOM 0 HB1 ALA A 93 1.874 1.868 -11.883 1.00 71.45 H new ATOM 0 HB2 ALA A 93 2.329 3.410 -11.120 1.00 71.45 H new ATOM 0 HB3 ALA A 93 3.210 1.920 -10.709 1.00 71.45 H new ATOM 1567 N TYR A 94 1.812 -0.044 -8.777 1.00 63.43 N ATOM 1568 CA TYR A 94 1.603 -1.451 -8.532 1.00 62.22 C ATOM 1569 C TYR A 94 0.345 -1.646 -7.735 1.00 23.42 C ATOM 1570 O TYR A 94 -0.523 -2.343 -8.181 1.00 53.41 O ATOM 1571 CB TYR A 94 2.755 -2.150 -7.808 1.00 15.45 C ATOM 1572 CG TYR A 94 4.136 -1.930 -8.402 1.00 45.22 C ATOM 1573 CD1 TYR A 94 4.400 -2.200 -9.735 1.00 43.31 C ATOM 1574 CD2 TYR A 94 5.172 -1.461 -7.618 1.00 34.00 C ATOM 1575 CE1 TYR A 94 5.658 -1.993 -10.262 1.00 12.22 C ATOM 1576 CE2 TYR A 94 6.430 -1.255 -8.138 1.00 51.44 C ATOM 1577 CZ TYR A 94 6.667 -1.521 -9.460 1.00 24.14 C ATOM 1578 OH TYR A 94 7.918 -1.310 -9.988 1.00 61.42 O ATOM 0 H TYR A 94 2.554 0.394 -8.231 1.00 63.43 H new ATOM 0 HA TYR A 94 1.532 -1.910 -9.518 1.00 62.22 H new ATOM 0 HB2 TYR A 94 2.767 -1.812 -6.772 1.00 15.45 H new ATOM 0 HB3 TYR A 94 2.553 -3.221 -7.791 1.00 15.45 H new ATOM 0 HD1 TYR A 94 3.611 -2.577 -10.369 1.00 43.31 H new ATOM 0 HD2 TYR A 94 4.991 -1.251 -6.574 1.00 34.00 H new ATOM 0 HE1 TYR A 94 5.849 -2.202 -11.304 1.00 12.22 H new ATOM 0 HE2 TYR A 94 7.225 -0.886 -7.507 1.00 51.44 H new ATOM 0 HH TYR A 94 8.370 -2.171 -10.113 1.00 61.42 H new ATOM 1588 N ILE A 95 0.232 -0.972 -6.568 1.00 44.23 N ATOM 1589 CA ILE A 95 -0.910 -1.209 -5.643 1.00 40.31 C ATOM 1590 C ILE A 95 -2.238 -0.956 -6.390 1.00 2.41 C ATOM 1591 O ILE A 95 -3.198 -1.735 -6.286 1.00 32.12 O ATOM 1592 CB ILE A 95 -0.909 -0.283 -4.369 1.00 10.43 C ATOM 1593 CG1 ILE A 95 0.509 0.098 -3.899 1.00 72.22 C ATOM 1594 CG2 ILE A 95 -1.607 -1.033 -3.213 1.00 64.43 C ATOM 1595 CD1 ILE A 95 1.348 -1.043 -3.407 1.00 54.13 C ATOM 0 H ILE A 95 0.900 -0.273 -6.245 1.00 44.23 H new ATOM 0 HA ILE A 95 -0.806 -2.241 -5.308 1.00 40.31 H new ATOM 0 HB ILE A 95 -1.429 0.636 -4.641 1.00 10.43 H new ATOM 0 HG12 ILE A 95 1.030 0.581 -4.725 1.00 72.22 H new ATOM 0 HG13 ILE A 95 0.424 0.836 -3.101 1.00 72.22 H new ATOM 0 HG21 ILE A 95 -1.614 -0.404 -2.323 1.00 64.43 H new ATOM 0 HG22 ILE A 95 -2.632 -1.269 -3.499 1.00 64.43 H new ATOM 0 HG23 ILE A 95 -1.068 -1.956 -3.000 1.00 64.43 H new ATOM 0 HD11 ILE A 95 2.325 -0.670 -3.100 1.00 54.13 H new ATOM 0 HD12 ILE A 95 0.857 -1.516 -2.557 1.00 54.13 H new ATOM 0 HD13 ILE A 95 1.473 -1.774 -4.206 1.00 54.13 H new ATOM 1607 N GLN A 96 -2.260 0.136 -7.160 1.00 64.15 N ATOM 1608 CA GLN A 96 -3.419 0.507 -7.963 1.00 65.12 C ATOM 1609 C GLN A 96 -3.664 -0.514 -9.070 1.00 13.33 C ATOM 1610 O GLN A 96 -4.808 -0.928 -9.293 1.00 33.02 O ATOM 1611 CB GLN A 96 -3.245 1.927 -8.545 1.00 54.21 C ATOM 1612 CG GLN A 96 -4.362 2.388 -9.496 1.00 72.54 C ATOM 1613 CD GLN A 96 -5.748 2.432 -8.860 1.00 71.53 C ATOM 1614 OE1 GLN A 96 -6.168 3.449 -8.306 1.00 4.25 O ATOM 1615 NE2 GLN A 96 -6.469 1.346 -8.945 1.00 25.01 N ATOM 0 H GLN A 96 -1.476 0.783 -7.241 1.00 64.15 H new ATOM 0 HA GLN A 96 -4.296 0.512 -7.316 1.00 65.12 H new ATOM 0 HB2 GLN A 96 -3.178 2.635 -7.719 1.00 54.21 H new ATOM 0 HB3 GLN A 96 -2.295 1.969 -9.079 1.00 54.21 H new ATOM 0 HG2 GLN A 96 -4.116 3.381 -9.873 1.00 72.54 H new ATOM 0 HG3 GLN A 96 -4.390 1.719 -10.356 1.00 72.54 H new ATOM 0 HE21 GLN A 96 -6.093 0.520 -9.410 1.00 25.01 H new ATOM 0 HE22 GLN A 96 -7.408 1.324 -8.546 1.00 25.01 H new ATOM 1624 N GLY A 97 -2.595 -0.927 -9.741 1.00 74.01 N ATOM 1625 CA GLY A 97 -2.716 -1.905 -10.800 1.00 51.22 C ATOM 1626 C GLY A 97 -3.249 -3.204 -10.267 1.00 40.13 C ATOM 1627 O GLY A 97 -4.172 -3.763 -10.814 1.00 62.31 O ATOM 0 H GLY A 97 -1.645 -0.599 -9.568 1.00 74.01 H new ATOM 0 HA2 GLY A 97 -3.379 -1.526 -11.577 1.00 51.22 H new ATOM 0 HA3 GLY A 97 -1.743 -2.069 -11.263 1.00 51.22 H new ATOM 1631 N ILE A 98 -2.675 -3.633 -9.161 1.00 2.43 N ATOM 1632 CA ILE A 98 -3.050 -4.845 -8.447 1.00 63.21 C ATOM 1633 C ILE A 98 -4.573 -4.940 -8.252 1.00 44.32 C ATOM 1634 O ILE A 98 -5.210 -5.931 -8.661 1.00 44.50 O ATOM 1635 CB ILE A 98 -2.313 -4.878 -7.061 1.00 52.21 C ATOM 1636 CG1 ILE A 98 -0.807 -5.088 -7.244 1.00 54.14 C ATOM 1637 CG2 ILE A 98 -2.873 -5.902 -6.136 1.00 51.30 C ATOM 1638 CD1 ILE A 98 -0.015 -5.123 -5.950 1.00 34.10 C ATOM 0 H ILE A 98 -1.906 -3.132 -8.716 1.00 2.43 H new ATOM 0 HA ILE A 98 -2.748 -5.706 -9.043 1.00 63.21 H new ATOM 0 HB ILE A 98 -2.480 -3.905 -6.600 1.00 52.21 H new ATOM 0 HG12 ILE A 98 -0.646 -6.024 -7.779 1.00 54.14 H new ATOM 0 HG13 ILE A 98 -0.415 -4.289 -7.874 1.00 54.14 H new ATOM 0 HG21 ILE A 98 -2.325 -5.880 -5.194 1.00 51.30 H new ATOM 0 HG22 ILE A 98 -3.925 -5.687 -5.949 1.00 51.30 H new ATOM 0 HG23 ILE A 98 -2.779 -6.890 -6.587 1.00 51.30 H new ATOM 0 HD11 ILE A 98 1.041 -5.275 -6.174 1.00 34.10 H new ATOM 0 HD12 ILE A 98 -0.141 -4.179 -5.421 1.00 34.10 H new ATOM 0 HD13 ILE A 98 -0.375 -5.940 -5.325 1.00 34.10 H new ATOM 1650 N LEU A 99 -5.145 -3.905 -7.679 1.00 50.13 N ATOM 1651 CA LEU A 99 -6.563 -3.857 -7.407 1.00 34.24 C ATOM 1652 C LEU A 99 -7.403 -3.728 -8.691 1.00 23.42 C ATOM 1653 O LEU A 99 -8.467 -4.344 -8.810 1.00 32.20 O ATOM 1654 CB LEU A 99 -6.858 -2.742 -6.344 1.00 11.23 C ATOM 1655 CG LEU A 99 -8.333 -2.391 -6.009 1.00 65.34 C ATOM 1656 CD1 LEU A 99 -8.390 -1.682 -4.684 1.00 21.40 C ATOM 1657 CD2 LEU A 99 -8.915 -1.451 -7.056 1.00 73.13 C ATOM 0 H LEU A 99 -4.637 -3.070 -7.388 1.00 50.13 H new ATOM 0 HA LEU A 99 -6.873 -4.809 -6.976 1.00 34.24 H new ATOM 0 HB2 LEU A 99 -6.371 -3.037 -5.415 1.00 11.23 H new ATOM 0 HB3 LEU A 99 -6.371 -1.828 -6.683 1.00 11.23 H new ATOM 0 HG LEU A 99 -8.903 -3.320 -5.985 1.00 65.34 H new ATOM 0 HD11 LEU A 99 -9.425 -1.435 -4.448 1.00 21.40 H new ATOM 0 HD12 LEU A 99 -7.985 -2.330 -3.907 1.00 21.40 H new ATOM 0 HD13 LEU A 99 -7.801 -0.766 -4.736 1.00 21.40 H new ATOM 0 HD21 LEU A 99 -9.949 -1.218 -6.801 1.00 73.13 H new ATOM 0 HD22 LEU A 99 -8.332 -0.530 -7.083 1.00 73.13 H new ATOM 0 HD23 LEU A 99 -8.881 -1.930 -8.034 1.00 73.13 H new ATOM 1669 N TYR A 100 -6.901 -2.979 -9.643 1.00 73.11 N ATOM 1670 CA TYR A 100 -7.630 -2.671 -10.872 1.00 4.50 C ATOM 1671 C TYR A 100 -7.640 -3.870 -11.854 1.00 3.13 C ATOM 1672 O TYR A 100 -8.606 -4.061 -12.614 1.00 53.42 O ATOM 1673 CB TYR A 100 -6.974 -1.438 -11.519 1.00 31.33 C ATOM 1674 CG TYR A 100 -7.691 -0.847 -12.709 1.00 61.25 C ATOM 1675 CD1 TYR A 100 -8.736 0.048 -12.527 1.00 5.04 C ATOM 1676 CD2 TYR A 100 -7.309 -1.155 -14.005 1.00 73.55 C ATOM 1677 CE1 TYR A 100 -9.381 0.617 -13.600 1.00 14.33 C ATOM 1678 CE2 TYR A 100 -7.953 -0.593 -15.086 1.00 65.50 C ATOM 1679 CZ TYR A 100 -8.989 0.294 -14.877 1.00 11.44 C ATOM 1680 OH TYR A 100 -9.632 0.871 -15.959 1.00 54.31 O ATOM 0 H TYR A 100 -5.972 -2.559 -9.597 1.00 73.11 H new ATOM 0 HA TYR A 100 -8.672 -2.463 -10.630 1.00 4.50 H new ATOM 0 HB2 TYR A 100 -6.877 -0.663 -10.758 1.00 31.33 H new ATOM 0 HB3 TYR A 100 -5.965 -1.710 -11.828 1.00 31.33 H new ATOM 0 HD1 TYR A 100 -9.048 0.302 -11.525 1.00 5.04 H new ATOM 0 HD2 TYR A 100 -6.495 -1.845 -14.170 1.00 73.55 H new ATOM 0 HE1 TYR A 100 -10.191 1.314 -13.440 1.00 14.33 H new ATOM 0 HE2 TYR A 100 -7.649 -0.845 -16.091 1.00 65.50 H new ATOM 0 HH TYR A 100 -9.235 0.538 -16.791 1.00 54.31 H new ATOM 1690 N LEU A 101 -6.582 -4.667 -11.815 1.00 61.23 N ATOM 1691 CA LEU A 101 -6.402 -5.807 -12.717 1.00 71.10 C ATOM 1692 C LEU A 101 -7.441 -6.894 -12.590 1.00 53.02 C ATOM 1693 O LEU A 101 -8.106 -7.237 -13.563 1.00 44.24 O ATOM 1694 CB LEU A 101 -5.048 -6.475 -12.500 1.00 53.40 C ATOM 1695 CG LEU A 101 -3.798 -5.724 -12.942 1.00 21.41 C ATOM 1696 CD1 LEU A 101 -2.581 -6.518 -12.559 1.00 53.43 C ATOM 1697 CD2 LEU A 101 -3.800 -5.519 -14.438 1.00 1.41 C ATOM 0 H LEU A 101 -5.816 -4.544 -11.153 1.00 61.23 H new ATOM 0 HA LEU A 101 -6.492 -5.360 -13.707 1.00 71.10 H new ATOM 0 HB2 LEU A 101 -4.949 -6.690 -11.436 1.00 53.40 H new ATOM 0 HB3 LEU A 101 -5.062 -7.433 -13.019 1.00 53.40 H new ATOM 0 HG LEU A 101 -3.785 -4.750 -12.452 1.00 21.41 H new ATOM 0 HD11 LEU A 101 -1.684 -5.984 -12.874 1.00 53.43 H new ATOM 0 HD12 LEU A 101 -2.561 -6.655 -11.478 1.00 53.43 H new ATOM 0 HD13 LEU A 101 -2.613 -7.492 -13.047 1.00 53.43 H new ATOM 0 HD21 LEU A 101 -2.899 -4.981 -14.733 1.00 1.41 H new ATOM 0 HD22 LEU A 101 -3.824 -6.487 -14.938 1.00 1.41 H new ATOM 0 HD23 LEU A 101 -4.678 -4.941 -14.725 1.00 1.41 H new ATOM 1709 N ASN A 102 -7.589 -7.441 -11.410 1.00 44.50 N ATOM 1710 CA ASN A 102 -8.325 -8.685 -11.323 1.00 34.04 C ATOM 1711 C ASN A 102 -9.163 -8.850 -10.067 1.00 15.50 C ATOM 1712 O ASN A 102 -10.381 -8.905 -10.136 1.00 43.34 O ATOM 1713 CB ASN A 102 -7.296 -9.841 -11.410 1.00 74.11 C ATOM 1714 CG ASN A 102 -7.877 -11.254 -11.322 1.00 61.03 C ATOM 1715 OD1 ASN A 102 -7.226 -12.152 -10.793 1.00 41.30 O ATOM 1716 ND2 ASN A 102 -9.038 -11.472 -11.873 1.00 32.03 N ATOM 0 H ASN A 102 -7.230 -7.069 -10.531 1.00 44.50 H new ATOM 0 HA ASN A 102 -9.042 -8.690 -12.144 1.00 34.04 H new ATOM 0 HB2 ASN A 102 -6.753 -9.749 -12.350 1.00 74.11 H new ATOM 0 HB3 ASN A 102 -6.568 -9.716 -10.608 1.00 74.11 H new ATOM 0 HD21 ASN A 102 -9.434 -12.412 -11.874 1.00 32.03 H new ATOM 0 HD22 ASN A 102 -9.551 -10.702 -12.303 1.00 32.03 H new ATOM 1723 N GLN A 103 -8.515 -8.895 -8.939 1.00 3.23 N ATOM 1724 CA GLN A 103 -9.156 -9.378 -7.725 1.00 45.14 C ATOM 1725 C GLN A 103 -9.763 -8.259 -6.871 1.00 63.21 C ATOM 1726 O GLN A 103 -10.669 -8.526 -6.072 1.00 45.41 O ATOM 1727 CB GLN A 103 -8.139 -10.220 -6.891 1.00 53.54 C ATOM 1728 CG GLN A 103 -7.155 -9.419 -6.013 1.00 23.54 C ATOM 1729 CD GLN A 103 -6.352 -8.330 -6.724 1.00 30.22 C ATOM 1730 OE1 GLN A 103 -5.969 -8.553 -7.954 1.00 4.33 O flip ATOM 1731 NE2 GLN A 103 -6.039 -7.316 -6.131 1.00 15.34 N flip ATOM 0 H GLN A 103 -7.544 -8.606 -8.822 1.00 3.23 H new ATOM 0 HA GLN A 103 -9.992 -10.006 -8.034 1.00 45.14 H new ATOM 0 HB2 GLN A 103 -8.700 -10.897 -6.247 1.00 53.54 H new ATOM 0 HB3 GLN A 103 -7.561 -10.839 -7.578 1.00 53.54 H new ATOM 0 HG2 GLN A 103 -7.717 -8.956 -5.202 1.00 23.54 H new ATOM 0 HG3 GLN A 103 -6.455 -10.119 -5.557 1.00 23.54 H new ATOM 0 HE21 GLN A 103 -6.353 -7.169 -5.172 1.00 15.34 H new ATOM 0 HE22 GLN A 103 -5.463 -6.612 -6.593 1.00 15.34 H new ATOM 1740 N GLU A 104 -9.266 -7.017 -7.053 1.00 53.32 N ATOM 1741 CA GLU A 104 -9.677 -5.863 -6.250 1.00 72.52 C ATOM 1742 C GLU A 104 -9.318 -6.076 -4.758 1.00 2.51 C ATOM 1743 O GLU A 104 -10.086 -6.693 -4.027 1.00 74.20 O ATOM 1744 CB GLU A 104 -11.178 -5.566 -6.393 1.00 63.33 C ATOM 1745 CG GLU A 104 -11.633 -4.391 -5.577 1.00 14.34 C ATOM 1746 CD GLU A 104 -13.134 -4.339 -5.443 1.00 20.33 C ATOM 1747 OE1 GLU A 104 -13.797 -3.763 -6.305 1.00 2.44 O ATOM 1748 OE2 GLU A 104 -13.675 -4.906 -4.448 1.00 4.22 O ATOM 0 H GLU A 104 -8.569 -6.794 -7.763 1.00 53.32 H new ATOM 0 HA GLU A 104 -9.130 -5.000 -6.629 1.00 72.52 H new ATOM 0 HB2 GLU A 104 -11.406 -5.380 -7.443 1.00 63.33 H new ATOM 0 HB3 GLU A 104 -11.745 -6.448 -6.095 1.00 63.33 H new ATOM 0 HG2 GLU A 104 -11.183 -4.443 -4.586 1.00 14.34 H new ATOM 0 HG3 GLU A 104 -11.279 -3.470 -6.040 1.00 14.34 H new ATOM 1755 N VAL A 105 -8.124 -5.591 -4.349 1.00 74.01 N ATOM 1756 CA VAL A 105 -7.589 -5.703 -2.954 1.00 44.11 C ATOM 1757 C VAL A 105 -7.807 -7.108 -2.315 1.00 2.52 C ATOM 1758 O VAL A 105 -8.875 -7.420 -1.754 1.00 44.11 O ATOM 1759 CB VAL A 105 -7.998 -4.513 -1.982 1.00 4.30 C ATOM 1760 CG1 VAL A 105 -9.504 -4.370 -1.817 1.00 53.13 C ATOM 1761 CG2 VAL A 105 -7.321 -4.673 -0.619 1.00 30.11 C ATOM 0 H VAL A 105 -7.489 -5.102 -4.980 1.00 74.01 H new ATOM 0 HA VAL A 105 -6.512 -5.591 -3.083 1.00 44.11 H new ATOM 0 HB VAL A 105 -7.647 -3.594 -2.452 1.00 4.30 H new ATOM 0 HG11 VAL A 105 -9.719 -3.541 -1.142 1.00 53.13 H new ATOM 0 HG12 VAL A 105 -9.960 -4.175 -2.788 1.00 53.13 H new ATOM 0 HG13 VAL A 105 -9.914 -5.291 -1.402 1.00 53.13 H new ATOM 0 HG21 VAL A 105 -7.614 -3.849 0.032 1.00 30.11 H new ATOM 0 HG22 VAL A 105 -7.628 -5.617 -0.169 1.00 30.11 H new ATOM 0 HG23 VAL A 105 -6.239 -4.667 -0.747 1.00 30.11 H new ATOM 1771 N PRO A 106 -6.800 -7.974 -2.410 1.00 44.21 N ATOM 1772 CA PRO A 106 -6.907 -9.342 -1.939 1.00 55.41 C ATOM 1773 C PRO A 106 -6.851 -9.479 -0.417 1.00 35.44 C ATOM 1774 O PRO A 106 -6.265 -8.633 0.290 1.00 63.41 O ATOM 1775 CB PRO A 106 -5.717 -10.050 -2.590 1.00 24.21 C ATOM 1776 CG PRO A 106 -4.705 -8.981 -2.829 1.00 60.52 C ATOM 1777 CD PRO A 106 -5.461 -7.680 -2.968 1.00 62.23 C ATOM 0 HA PRO A 106 -7.874 -9.767 -2.206 1.00 55.41 H new ATOM 0 HB2 PRO A 106 -5.320 -10.829 -1.940 1.00 24.21 H new ATOM 0 HB3 PRO A 106 -6.008 -10.531 -3.524 1.00 24.21 H new ATOM 0 HG2 PRO A 106 -3.997 -8.929 -2.002 1.00 60.52 H new ATOM 0 HG3 PRO A 106 -4.129 -9.190 -3.730 1.00 60.52 H new ATOM 0 HD2 PRO A 106 -4.970 -6.874 -2.422 1.00 62.23 H new ATOM 0 HD3 PRO A 106 -5.524 -7.366 -4.010 1.00 62.23 H new ATOM 1785 N LYS A 107 -7.461 -10.569 0.068 1.00 54.43 N ATOM 1786 CA LYS A 107 -7.490 -10.954 1.493 1.00 23.11 C ATOM 1787 C LYS A 107 -6.096 -10.967 2.069 1.00 50.23 C ATOM 1788 O LYS A 107 -5.901 -10.723 3.261 1.00 15.52 O ATOM 1789 CB LYS A 107 -8.144 -12.386 1.619 1.00 53.03 C ATOM 1790 CG LYS A 107 -8.190 -13.052 3.041 1.00 11.34 C ATOM 1791 CD LYS A 107 -6.811 -13.581 3.568 1.00 72.32 C ATOM 1792 CE LYS A 107 -6.228 -14.701 2.692 1.00 4.24 C ATOM 1793 NZ LYS A 107 -4.890 -15.179 3.169 1.00 14.00 N ATOM 0 H LYS A 107 -7.961 -11.226 -0.531 1.00 54.43 H new ATOM 0 HA LYS A 107 -8.078 -10.227 2.052 1.00 23.11 H new ATOM 0 HB2 LYS A 107 -9.167 -12.320 1.248 1.00 53.03 H new ATOM 0 HB3 LYS A 107 -7.605 -13.059 0.952 1.00 53.03 H new ATOM 0 HG2 LYS A 107 -8.580 -12.326 3.754 1.00 11.34 H new ATOM 0 HG3 LYS A 107 -8.895 -13.883 3.014 1.00 11.34 H new ATOM 0 HD2 LYS A 107 -6.102 -12.754 3.611 1.00 72.32 H new ATOM 0 HD3 LYS A 107 -6.934 -13.949 4.587 1.00 72.32 H new ATOM 0 HE2 LYS A 107 -6.923 -15.541 2.675 1.00 4.24 H new ATOM 0 HE3 LYS A 107 -6.136 -14.342 1.667 1.00 4.24 H new ATOM 0 HZ1 LYS A 107 -4.677 -16.101 2.738 1.00 14.00 H new ATOM 0 HZ2 LYS A 107 -4.158 -14.492 2.896 1.00 14.00 H new ATOM 0 HZ3 LYS A 107 -4.905 -15.276 4.204 1.00 14.00 H new ATOM 1807 N GLU A 108 -5.135 -11.219 1.216 1.00 72.55 N ATOM 1808 CA GLU A 108 -3.792 -11.420 1.629 1.00 32.43 C ATOM 1809 C GLU A 108 -3.211 -10.210 2.355 1.00 72.55 C ATOM 1810 O GLU A 108 -2.368 -10.365 3.177 1.00 53.43 O ATOM 1811 CB GLU A 108 -2.914 -11.818 0.468 1.00 25.11 C ATOM 1812 CG GLU A 108 -1.754 -12.650 0.928 1.00 25.14 C ATOM 1813 CD GLU A 108 -2.266 -13.937 1.542 1.00 2.42 C ATOM 1814 OE1 GLU A 108 -2.603 -13.942 2.742 1.00 74.35 O ATOM 1815 OE2 GLU A 108 -2.402 -14.938 0.820 1.00 34.24 O ATOM 0 H GLU A 108 -5.277 -11.289 0.208 1.00 72.55 H new ATOM 0 HA GLU A 108 -3.812 -12.242 2.345 1.00 32.43 H new ATOM 0 HB2 GLU A 108 -3.501 -12.378 -0.260 1.00 25.11 H new ATOM 0 HB3 GLU A 108 -2.547 -10.925 -0.037 1.00 25.11 H new ATOM 0 HG2 GLU A 108 -1.096 -12.872 0.088 1.00 25.14 H new ATOM 0 HG3 GLU A 108 -1.163 -12.097 1.658 1.00 25.14 H new ATOM 1822 N LEU A 109 -3.695 -9.011 2.065 1.00 74.23 N ATOM 1823 CA LEU A 109 -3.199 -7.825 2.766 1.00 14.04 C ATOM 1824 C LEU A 109 -3.737 -7.787 4.167 1.00 12.43 C ATOM 1825 O LEU A 109 -3.053 -7.359 5.105 1.00 30.35 O ATOM 1826 CB LEU A 109 -3.479 -6.522 2.000 1.00 31.52 C ATOM 1827 CG LEU A 109 -2.571 -6.230 0.785 1.00 21.13 C ATOM 1828 CD1 LEU A 109 -2.545 -7.389 -0.183 1.00 3.34 C ATOM 1829 CD2 LEU A 109 -3.016 -4.956 0.082 1.00 11.33 C ATOM 0 H LEU A 109 -4.415 -8.830 1.366 1.00 74.23 H new ATOM 0 HA LEU A 109 -2.113 -7.903 2.820 1.00 14.04 H new ATOM 0 HB2 LEU A 109 -4.513 -6.544 1.656 1.00 31.52 H new ATOM 0 HB3 LEU A 109 -3.393 -5.690 2.699 1.00 31.52 H new ATOM 0 HG LEU A 109 -1.556 -6.090 1.157 1.00 21.13 H new ATOM 0 HD11 LEU A 109 -1.896 -7.146 -1.024 1.00 3.34 H new ATOM 0 HD12 LEU A 109 -2.166 -8.277 0.323 1.00 3.34 H new ATOM 0 HD13 LEU A 109 -3.554 -7.582 -0.547 1.00 3.34 H new ATOM 0 HD21 LEU A 109 -2.365 -4.765 -0.772 1.00 11.33 H new ATOM 0 HD22 LEU A 109 -4.043 -5.071 -0.263 1.00 11.33 H new ATOM 0 HD23 LEU A 109 -2.958 -4.118 0.777 1.00 11.33 H new ATOM 1841 N LEU A 110 -4.942 -8.286 4.323 1.00 51.14 N ATOM 1842 CA LEU A 110 -5.553 -8.401 5.621 1.00 35.54 C ATOM 1843 C LEU A 110 -4.807 -9.413 6.445 1.00 32.14 C ATOM 1844 O LEU A 110 -4.648 -9.247 7.625 1.00 71.03 O ATOM 1845 CB LEU A 110 -7.060 -8.744 5.552 1.00 61.22 C ATOM 1846 CG LEU A 110 -8.032 -7.647 5.052 1.00 23.30 C ATOM 1847 CD1 LEU A 110 -7.746 -7.226 3.624 1.00 21.00 C ATOM 1848 CD2 LEU A 110 -9.473 -8.111 5.195 1.00 51.41 C ATOM 0 H LEU A 110 -5.522 -8.622 3.554 1.00 51.14 H new ATOM 0 HA LEU A 110 -5.489 -7.423 6.099 1.00 35.54 H new ATOM 0 HB2 LEU A 110 -7.176 -9.613 4.904 1.00 61.22 H new ATOM 0 HB3 LEU A 110 -7.380 -9.045 6.550 1.00 61.22 H new ATOM 0 HG LEU A 110 -7.875 -6.769 5.679 1.00 23.30 H new ATOM 0 HD11 LEU A 110 -8.456 -6.455 3.323 1.00 21.00 H new ATOM 0 HD12 LEU A 110 -6.732 -6.832 3.557 1.00 21.00 H new ATOM 0 HD13 LEU A 110 -7.845 -8.088 2.964 1.00 21.00 H new ATOM 0 HD21 LEU A 110 -10.144 -7.329 4.839 1.00 51.41 H new ATOM 0 HD22 LEU A 110 -9.624 -9.015 4.605 1.00 51.41 H new ATOM 0 HD23 LEU A 110 -9.685 -8.322 6.243 1.00 51.41 H new ATOM 1860 N GLU A 111 -4.365 -10.467 5.825 1.00 63.54 N ATOM 1861 CA GLU A 111 -3.565 -11.439 6.526 1.00 0.13 C ATOM 1862 C GLU A 111 -2.093 -10.961 6.670 1.00 51.05 C ATOM 1863 O GLU A 111 -1.417 -11.289 7.648 1.00 44.35 O ATOM 1864 CB GLU A 111 -3.628 -12.805 5.847 1.00 12.52 C ATOM 1865 CG GLU A 111 -3.013 -13.918 6.680 1.00 45.40 C ATOM 1866 CD GLU A 111 -3.050 -15.252 6.002 1.00 52.23 C ATOM 1867 OE1 GLU A 111 -4.165 -15.750 5.696 1.00 11.12 O ATOM 1868 OE2 GLU A 111 -1.972 -15.847 5.794 1.00 45.12 O ATOM 0 H GLU A 111 -4.541 -10.679 4.843 1.00 63.54 H new ATOM 0 HA GLU A 111 -3.983 -11.543 7.527 1.00 0.13 H new ATOM 0 HB2 GLU A 111 -4.669 -13.051 5.636 1.00 12.52 H new ATOM 0 HB3 GLU A 111 -3.113 -12.751 4.888 1.00 12.52 H new ATOM 0 HG2 GLU A 111 -1.978 -13.663 6.909 1.00 45.40 H new ATOM 0 HG3 GLU A 111 -3.542 -13.986 7.631 1.00 45.40 H new ATOM 1875 N PHE A 112 -1.619 -10.156 5.707 1.00 22.31 N ATOM 1876 CA PHE A 112 -0.210 -9.773 5.647 1.00 54.52 C ATOM 1877 C PHE A 112 0.102 -8.745 6.704 1.00 51.12 C ATOM 1878 O PHE A 112 1.096 -8.838 7.424 1.00 51.22 O ATOM 1879 CB PHE A 112 0.144 -9.191 4.249 1.00 35.52 C ATOM 1880 CG PHE A 112 1.630 -9.095 3.962 1.00 15.35 C ATOM 1881 CD1 PHE A 112 2.307 -10.175 3.418 1.00 41.04 C ATOM 1882 CD2 PHE A 112 2.338 -7.936 4.225 1.00 14.31 C ATOM 1883 CE1 PHE A 112 3.659 -10.101 3.145 1.00 15.44 C ATOM 1884 CE2 PHE A 112 3.691 -7.857 3.955 1.00 42.51 C ATOM 1885 CZ PHE A 112 4.352 -8.940 3.416 1.00 1.50 C ATOM 0 H PHE A 112 -2.194 -9.761 4.963 1.00 22.31 H new ATOM 0 HA PHE A 112 0.387 -10.668 5.823 1.00 54.52 H new ATOM 0 HB2 PHE A 112 -0.321 -9.812 3.483 1.00 35.52 H new ATOM 0 HB3 PHE A 112 -0.294 -8.197 4.163 1.00 35.52 H new ATOM 0 HD1 PHE A 112 1.770 -11.087 3.205 1.00 41.04 H new ATOM 0 HD2 PHE A 112 1.827 -7.083 4.646 1.00 14.31 H new ATOM 0 HE1 PHE A 112 4.172 -10.951 2.720 1.00 15.44 H new ATOM 0 HE2 PHE A 112 4.231 -6.946 4.166 1.00 42.51 H new ATOM 0 HZ PHE A 112 5.410 -8.879 3.207 1.00 1.50 H new ATOM 1895 N LEU A 113 -0.769 -7.778 6.801 1.00 45.42 N ATOM 1896 CA LEU A 113 -0.576 -6.640 7.669 1.00 24.33 C ATOM 1897 C LEU A 113 -1.584 -6.650 8.789 1.00 24.24 C ATOM 1898 O LEU A 113 -1.613 -5.725 9.605 1.00 20.04 O ATOM 1899 CB LEU A 113 -0.817 -5.414 6.844 1.00 50.04 C ATOM 1900 CG LEU A 113 -0.003 -5.292 5.582 1.00 42.04 C ATOM 1901 CD1 LEU A 113 -0.583 -4.199 4.717 1.00 1.35 C ATOM 1902 CD2 LEU A 113 1.450 -5.003 5.925 1.00 71.34 C ATOM 0 H LEU A 113 -1.643 -7.754 6.276 1.00 45.42 H new ATOM 0 HA LEU A 113 0.427 -6.665 8.095 1.00 24.33 H new ATOM 0 HB2 LEU A 113 -1.873 -5.384 6.575 1.00 50.04 H new ATOM 0 HB3 LEU A 113 -0.621 -4.539 7.464 1.00 50.04 H new ATOM 0 HG LEU A 113 -0.038 -6.231 5.029 1.00 42.04 H new ATOM 0 HD11 LEU A 113 0.004 -4.108 3.803 1.00 1.35 H new ATOM 0 HD12 LEU A 113 -1.614 -4.445 4.463 1.00 1.35 H new ATOM 0 HD13 LEU A 113 -0.558 -3.254 5.259 1.00 1.35 H new ATOM 0 HD21 LEU A 113 2.030 -4.917 5.006 1.00 71.34 H new ATOM 0 HD22 LEU A 113 1.513 -4.069 6.483 1.00 71.34 H new ATOM 0 HD23 LEU A 113 1.849 -5.816 6.531 1.00 71.34 H new ATOM 1914 N ARG A 114 -2.423 -7.690 8.813 1.00 44.22 N ATOM 1915 CA ARG A 114 -3.494 -7.821 9.805 1.00 70.33 C ATOM 1916 C ARG A 114 -4.548 -6.715 9.608 1.00 54.01 C ATOM 1917 O ARG A 114 -5.172 -6.273 10.557 1.00 45.31 O ATOM 1918 CB ARG A 114 -2.917 -7.843 11.233 1.00 11.14 C ATOM 1919 CG ARG A 114 -2.043 -9.057 11.509 1.00 75.52 C ATOM 1920 CD ARG A 114 -1.413 -8.991 12.884 1.00 42.23 C ATOM 1921 NE ARG A 114 -0.590 -10.173 13.169 1.00 1.54 N ATOM 1922 CZ ARG A 114 0.516 -10.169 13.927 1.00 70.21 C ATOM 1923 NH1 ARG A 114 0.933 -9.039 14.497 1.00 61.02 N ATOM 1924 NH2 ARG A 114 1.192 -11.298 14.125 1.00 64.32 N ATOM 0 H ARG A 114 -2.379 -8.462 8.148 1.00 44.22 H new ATOM 0 HA ARG A 114 -4.000 -8.775 9.658 1.00 70.33 H new ATOM 0 HB2 ARG A 114 -2.332 -6.938 11.395 1.00 11.14 H new ATOM 0 HB3 ARG A 114 -3.738 -7.824 11.950 1.00 11.14 H new ATOM 0 HG2 ARG A 114 -2.642 -9.964 11.426 1.00 75.52 H new ATOM 0 HG3 ARG A 114 -1.261 -9.122 10.753 1.00 75.52 H new ATOM 0 HD2 ARG A 114 -0.798 -8.094 12.958 1.00 42.23 H new ATOM 0 HD3 ARG A 114 -2.196 -8.904 13.638 1.00 42.23 H new ATOM 0 HE ARG A 114 -0.881 -11.061 12.761 1.00 1.54 H new ATOM 0 HH11 ARG A 114 0.410 -8.174 14.357 1.00 61.02 H new ATOM 0 HH12 ARG A 114 1.775 -9.039 15.073 1.00 61.02 H new ATOM 0 HH21 ARG A 114 0.869 -12.167 13.700 1.00 64.32 H new ATOM 0 HH22 ARG A 114 2.033 -11.294 14.702 1.00 64.32 H new ATOM 1938 N LEU A 115 -4.806 -6.364 8.318 1.00 61.21 N ATOM 1939 CA LEU A 115 -5.768 -5.285 7.932 1.00 13.40 C ATOM 1940 C LEU A 115 -7.240 -5.706 8.146 1.00 73.31 C ATOM 1941 O LEU A 115 -8.163 -5.075 7.601 1.00 40.13 O ATOM 1942 CB LEU A 115 -5.610 -4.871 6.439 1.00 61.41 C ATOM 1943 CG LEU A 115 -4.250 -4.456 5.945 1.00 12.34 C ATOM 1944 CD1 LEU A 115 -4.349 -3.912 4.526 1.00 72.04 C ATOM 1945 CD2 LEU A 115 -3.585 -3.486 6.876 1.00 2.45 C ATOM 0 H LEU A 115 -4.359 -6.815 7.520 1.00 61.21 H new ATOM 0 HA LEU A 115 -5.528 -4.444 8.582 1.00 13.40 H new ATOM 0 HB2 LEU A 115 -5.943 -5.709 5.826 1.00 61.41 H new ATOM 0 HB3 LEU A 115 -6.296 -4.046 6.250 1.00 61.41 H new ATOM 0 HG LEU A 115 -3.613 -5.340 5.924 1.00 12.34 H new ATOM 0 HD11 LEU A 115 -3.359 -3.615 4.180 1.00 72.04 H new ATOM 0 HD12 LEU A 115 -4.747 -4.684 3.867 1.00 72.04 H new ATOM 0 HD13 LEU A 115 -5.012 -3.047 4.513 1.00 72.04 H new ATOM 0 HD21 LEU A 115 -2.607 -3.214 6.480 1.00 2.45 H new ATOM 0 HD22 LEU A 115 -4.200 -2.591 6.969 1.00 2.45 H new ATOM 0 HD23 LEU A 115 -3.464 -3.947 7.856 1.00 2.45 H new ATOM 1957 N ARG A 116 -7.457 -6.732 8.926 1.00 15.34 N ATOM 1958 CA ARG A 116 -8.793 -7.198 9.208 1.00 4.13 C ATOM 1959 C ARG A 116 -9.446 -6.232 10.176 1.00 12.23 C ATOM 1960 O ARG A 116 -8.849 -5.895 11.205 1.00 20.03 O ATOM 1961 CB ARG A 116 -8.759 -8.599 9.809 1.00 24.13 C ATOM 1962 CG ARG A 116 -8.091 -9.638 8.929 1.00 72.04 C ATOM 1963 CD ARG A 116 -8.037 -10.992 9.607 1.00 23.41 C ATOM 1964 NE ARG A 116 -7.288 -10.949 10.872 1.00 61.15 N ATOM 1965 CZ ARG A 116 -6.858 -12.018 11.547 1.00 1.22 C ATOM 1966 NH1 ARG A 116 -7.037 -13.244 11.051 1.00 0.00 N ATOM 1967 NH2 ARG A 116 -6.226 -11.857 12.703 1.00 62.01 N ATOM 0 H ARG A 116 -6.718 -7.267 9.383 1.00 15.34 H new ATOM 0 HA ARG A 116 -9.365 -7.244 8.282 1.00 4.13 H new ATOM 0 HB2 ARG A 116 -8.237 -8.559 10.765 1.00 24.13 H new ATOM 0 HB3 ARG A 116 -9.780 -8.918 10.017 1.00 24.13 H new ATOM 0 HG2 ARG A 116 -8.635 -9.723 7.988 1.00 72.04 H new ATOM 0 HG3 ARG A 116 -7.080 -9.313 8.684 1.00 72.04 H new ATOM 0 HD2 ARG A 116 -9.052 -11.341 9.799 1.00 23.41 H new ATOM 0 HD3 ARG A 116 -7.573 -11.715 8.936 1.00 23.41 H new ATOM 0 HE ARG A 116 -7.081 -10.031 11.265 1.00 61.15 H new ATOM 0 HH11 ARG A 116 -7.504 -13.368 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.707 -14.057 11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.070 -10.919 13.073 1.00 62.01 H new ATOM 0 HH22 ARG A 116 -5.896 -12.671 13.222 1.00 62.01 H new ATOM 1981 N HIS A 117 -10.657 -5.784 9.830 1.00 44.12 N ATOM 1982 CA HIS A 117 -11.443 -4.805 10.610 1.00 74.51 C ATOM 1983 C HIS A 117 -10.963 -3.352 10.339 1.00 73.42 C ATOM 1984 O HIS A 117 -11.352 -2.406 11.023 1.00 10.32 O ATOM 1985 CB HIS A 117 -11.490 -5.173 12.139 1.00 24.33 C ATOM 1986 CG HIS A 117 -12.323 -4.256 12.992 1.00 22.41 C ATOM 1987 ND1 HIS A 117 -11.788 -3.421 13.942 1.00 45.23 N ATOM 1988 CD2 HIS A 117 -13.654 -4.051 13.027 1.00 53.12 C ATOM 1989 CE1 HIS A 117 -12.749 -2.744 14.518 1.00 74.15 C ATOM 1990 NE2 HIS A 117 -13.888 -3.104 13.984 1.00 25.43 N ATOM 0 H HIS A 117 -11.134 -6.094 8.983 1.00 44.12 H new ATOM 0 HA HIS A 117 -12.476 -4.854 10.266 1.00 74.51 H new ATOM 0 HB2 HIS A 117 -11.875 -6.188 12.241 1.00 24.33 H new ATOM 0 HB3 HIS A 117 -10.471 -5.178 12.527 1.00 24.33 H new ATOM 0 HD2 HIS A 117 -14.396 -4.542 12.415 1.00 53.12 H new ATOM 0 HE1 HIS A 117 -12.623 -2.012 15.302 1.00 74.15 H new ATOM 0 HE2 HIS A 117 -14.804 -2.737 14.241 1.00 25.43 H new ATOM 1999 N PHE A 118 -10.154 -3.184 9.312 1.00 51.15 N ATOM 2000 CA PHE A 118 -9.697 -1.850 8.912 1.00 53.11 C ATOM 2001 C PHE A 118 -10.375 -1.405 7.600 1.00 21.41 C ATOM 2002 O PHE A 118 -9.914 -1.748 6.497 1.00 11.41 O ATOM 2003 CB PHE A 118 -8.166 -1.794 8.777 1.00 23.25 C ATOM 2004 CG PHE A 118 -7.421 -2.007 10.069 1.00 1.20 C ATOM 2005 CD1 PHE A 118 -7.060 -3.276 10.477 1.00 62.30 C ATOM 2006 CD2 PHE A 118 -7.084 -0.931 10.872 1.00 24.05 C ATOM 2007 CE1 PHE A 118 -6.376 -3.473 11.661 1.00 42.32 C ATOM 2008 CE2 PHE A 118 -6.399 -1.121 12.057 1.00 52.35 C ATOM 2009 CZ PHE A 118 -6.045 -2.394 12.451 1.00 2.23 C ATOM 0 H PHE A 118 -9.796 -3.945 8.736 1.00 51.15 H new ATOM 0 HA PHE A 118 -9.986 -1.156 9.701 1.00 53.11 H new ATOM 0 HB2 PHE A 118 -7.848 -2.550 8.059 1.00 23.25 H new ATOM 0 HB3 PHE A 118 -7.885 -0.825 8.365 1.00 23.25 H new ATOM 0 HD1 PHE A 118 -7.316 -4.126 9.862 1.00 62.30 H new ATOM 0 HD2 PHE A 118 -7.360 0.068 10.569 1.00 24.05 H new ATOM 0 HE1 PHE A 118 -6.101 -4.472 11.967 1.00 42.32 H new ATOM 0 HE2 PHE A 118 -6.141 -0.273 12.674 1.00 52.35 H new ATOM 0 HZ PHE A 118 -5.510 -2.545 13.377 1.00 2.23 H new ATOM 2019 N PRO A 119 -11.510 -0.686 7.692 1.00 55.13 N ATOM 2020 CA PRO A 119 -12.234 -0.218 6.530 1.00 23.44 C ATOM 2021 C PRO A 119 -11.717 1.129 5.995 1.00 75.52 C ATOM 2022 O PRO A 119 -11.536 1.294 4.777 1.00 14.23 O ATOM 2023 CB PRO A 119 -13.684 -0.064 7.034 1.00 34.43 C ATOM 2024 CG PRO A 119 -13.632 -0.221 8.531 1.00 35.31 C ATOM 2025 CD PRO A 119 -12.180 -0.299 8.930 1.00 2.10 C ATOM 0 HA PRO A 119 -12.124 -0.912 5.697 1.00 23.44 H new ATOM 0 HB2 PRO A 119 -14.089 0.910 6.759 1.00 34.43 H new ATOM 0 HB3 PRO A 119 -14.333 -0.817 6.587 1.00 34.43 H new ATOM 0 HG2 PRO A 119 -14.119 0.621 9.022 1.00 35.31 H new ATOM 0 HG3 PRO A 119 -14.163 -1.121 8.841 1.00 35.31 H new ATOM 0 HD2 PRO A 119 -11.814 0.657 9.303 1.00 2.10 H new ATOM 0 HD3 PRO A 119 -12.019 -1.032 9.720 1.00 2.10 H new ATOM 2033 N THR A 120 -11.461 2.071 6.890 1.00 10.23 N ATOM 2034 CA THR A 120 -11.074 3.397 6.502 1.00 33.43 C ATOM 2035 C THR A 120 -10.460 4.162 7.683 1.00 63.41 C ATOM 2036 O THR A 120 -10.850 3.962 8.838 1.00 22.32 O ATOM 2037 CB THR A 120 -12.297 4.184 5.924 1.00 20.44 C ATOM 2038 OG1 THR A 120 -11.912 5.492 5.479 1.00 45.21 O ATOM 2039 CG2 THR A 120 -13.426 4.300 6.944 1.00 33.11 C ATOM 0 H THR A 120 -11.518 1.928 7.898 1.00 10.23 H new ATOM 0 HA THR A 120 -10.317 3.308 5.723 1.00 33.43 H new ATOM 0 HB THR A 120 -12.661 3.614 5.069 1.00 20.44 H new ATOM 0 HG1 THR A 120 -10.973 5.479 5.200 1.00 45.21 H new ATOM 0 HG21 THR A 120 -14.257 4.853 6.506 1.00 33.11 H new ATOM 0 HG22 THR A 120 -13.763 3.303 7.229 1.00 33.11 H new ATOM 0 HG23 THR A 120 -13.066 4.827 7.827 1.00 33.11 H new ATOM 2047 N ASP A 121 -9.496 5.003 7.379 1.00 13.32 N ATOM 2048 CA ASP A 121 -8.837 5.842 8.361 1.00 42.15 C ATOM 2049 C ASP A 121 -9.092 7.298 8.009 1.00 23.01 C ATOM 2050 O ASP A 121 -8.584 7.791 7.005 1.00 40.43 O ATOM 2051 CB ASP A 121 -7.318 5.560 8.409 1.00 21.20 C ATOM 2052 CG ASP A 121 -6.980 4.175 8.927 1.00 41.41 C ATOM 2053 OD1 ASP A 121 -6.974 3.209 8.132 1.00 3.21 O ATOM 2054 OD2 ASP A 121 -6.704 4.034 10.160 1.00 63.23 O ATOM 0 H ASP A 121 -9.142 5.126 6.431 1.00 13.32 H new ATOM 0 HA ASP A 121 -9.242 5.620 9.348 1.00 42.15 H new ATOM 0 HB2 ASP A 121 -6.902 5.677 7.408 1.00 21.20 H new ATOM 0 HB3 ASP A 121 -6.837 6.305 9.043 1.00 21.20 H new ATOM 2059 N PRO A 122 -9.933 7.994 8.793 1.00 43.41 N ATOM 2060 CA PRO A 122 -10.283 9.396 8.533 1.00 13.32 C ATOM 2061 C PRO A 122 -9.104 10.355 8.731 1.00 40.51 C ATOM 2062 O PRO A 122 -8.505 10.425 9.814 1.00 44.34 O ATOM 2063 CB PRO A 122 -11.391 9.701 9.562 1.00 75.20 C ATOM 2064 CG PRO A 122 -11.820 8.371 10.079 1.00 52.13 C ATOM 2065 CD PRO A 122 -10.620 7.481 9.982 1.00 42.42 C ATOM 0 HA PRO A 122 -10.591 9.536 7.497 1.00 13.32 H new ATOM 0 HB2 PRO A 122 -11.018 10.335 10.367 1.00 75.20 H new ATOM 0 HB3 PRO A 122 -12.223 10.231 9.099 1.00 75.20 H new ATOM 0 HG2 PRO A 122 -12.167 8.447 11.110 1.00 52.13 H new ATOM 0 HG3 PRO A 122 -12.648 7.974 9.493 1.00 52.13 H new ATOM 0 HD2 PRO A 122 -9.994 7.547 10.872 1.00 42.42 H new ATOM 0 HD3 PRO A 122 -10.901 6.434 9.867 1.00 42.42 H new ATOM 2073 N LYS A 123 -8.778 11.084 7.692 1.00 51.31 N ATOM 2074 CA LYS A 123 -7.716 12.057 7.734 1.00 1.43 C ATOM 2075 C LYS A 123 -8.290 13.455 7.565 1.00 34.30 C ATOM 2076 O LYS A 123 -8.841 13.792 6.516 1.00 15.11 O ATOM 2077 CB LYS A 123 -6.675 11.763 6.649 1.00 23.30 C ATOM 2078 CG LYS A 123 -5.957 10.426 6.832 1.00 10.23 C ATOM 2079 CD LYS A 123 -4.993 10.128 5.687 1.00 2.24 C ATOM 2080 CE LYS A 123 -3.894 11.176 5.551 1.00 22.43 C ATOM 2081 NZ LYS A 123 -3.046 11.273 6.758 1.00 21.14 N ATOM 0 H LYS A 123 -9.246 11.018 6.788 1.00 51.31 H new ATOM 0 HA LYS A 123 -7.219 11.997 8.702 1.00 1.43 H new ATOM 0 HB2 LYS A 123 -7.165 11.772 5.676 1.00 23.30 H new ATOM 0 HB3 LYS A 123 -5.936 12.564 6.641 1.00 23.30 H new ATOM 0 HG2 LYS A 123 -5.408 10.436 7.774 1.00 10.23 H new ATOM 0 HG3 LYS A 123 -6.694 9.626 6.902 1.00 10.23 H new ATOM 0 HD2 LYS A 123 -4.538 9.150 5.846 1.00 2.24 H new ATOM 0 HD3 LYS A 123 -5.552 10.071 4.753 1.00 2.24 H new ATOM 0 HE2 LYS A 123 -3.269 10.932 4.692 1.00 22.43 H new ATOM 0 HE3 LYS A 123 -4.346 12.147 5.351 1.00 22.43 H new ATOM 0 HZ1 LYS A 123 -2.266 11.937 6.581 1.00 21.14 H new ATOM 0 HZ2 LYS A 123 -3.617 11.614 7.557 1.00 21.14 H new ATOM 0 HZ3 LYS A 123 -2.658 10.335 6.986 1.00 21.14 H new ATOM 2095 N ALA A 124 -8.158 14.269 8.593 1.00 1.35 N ATOM 2096 CA ALA A 124 -8.712 15.621 8.588 1.00 44.11 C ATOM 2097 C ALA A 124 -7.719 16.627 8.012 1.00 31.51 C ATOM 2098 O ALA A 124 -7.934 17.835 8.071 1.00 11.15 O ATOM 2099 CB ALA A 124 -9.120 16.024 9.999 1.00 15.03 C ATOM 0 H ALA A 124 -7.668 14.021 9.453 1.00 1.35 H new ATOM 0 HA ALA A 124 -9.594 15.623 7.948 1.00 44.11 H new ATOM 0 HB1 ALA A 124 -9.532 17.033 9.984 1.00 15.03 H new ATOM 0 HB2 ALA A 124 -9.873 15.330 10.372 1.00 15.03 H new ATOM 0 HB3 ALA A 124 -8.247 15.997 10.652 1.00 15.03 H new ATOM 2105 N SER A 125 -6.647 16.134 7.451 1.00 21.43 N ATOM 2106 CA SER A 125 -5.650 16.979 6.864 1.00 15.22 C ATOM 2107 C SER A 125 -5.170 16.407 5.542 1.00 62.15 C ATOM 2108 O SER A 125 -5.004 15.188 5.402 1.00 4.33 O ATOM 2109 CB SER A 125 -4.501 17.184 7.838 1.00 5.53 C ATOM 2110 OG SER A 125 -4.962 17.842 9.017 1.00 62.42 O ATOM 0 H SER A 125 -6.443 15.136 7.390 1.00 21.43 H new ATOM 0 HA SER A 125 -6.091 17.953 6.653 1.00 15.22 H new ATOM 0 HB2 SER A 125 -4.061 16.222 8.099 1.00 5.53 H new ATOM 0 HB3 SER A 125 -3.717 17.776 7.366 1.00 5.53 H new ATOM 0 HG SER A 125 -4.213 17.966 9.636 1.00 62.42 H new ATOM 2116 N ASN A 126 -4.969 17.276 4.583 1.00 44.15 N ATOM 2117 CA ASN A 126 -4.559 16.903 3.244 1.00 74.31 C ATOM 2118 C ASN A 126 -3.905 18.101 2.595 1.00 35.32 C ATOM 2119 O ASN A 126 -4.214 19.241 2.953 1.00 54.30 O ATOM 2120 CB ASN A 126 -5.784 16.436 2.415 1.00 43.51 C ATOM 2121 CG ASN A 126 -6.842 17.523 2.242 1.00 22.45 C ATOM 2122 OD1 ASN A 126 -7.721 17.693 3.093 1.00 4.21 O ATOM 2123 ND2 ASN A 126 -6.798 18.229 1.141 1.00 60.02 N ATOM 0 H ASN A 126 -5.087 18.281 4.709 1.00 44.15 H new ATOM 0 HA ASN A 126 -3.852 16.075 3.288 1.00 74.31 H new ATOM 0 HB2 ASN A 126 -5.446 16.107 1.432 1.00 43.51 H new ATOM 0 HB3 ASN A 126 -6.236 15.572 2.902 1.00 43.51 H new ATOM 0 HD21 ASN A 126 -7.503 18.945 0.966 1.00 60.02 H new ATOM 0 HD22 ASN A 126 -6.058 18.064 0.458 1.00 60.02 H new ATOM 2130 N TRP A 127 -3.020 17.865 1.666 1.00 21.44 N ATOM 2131 CA TRP A 127 -2.317 18.939 1.009 1.00 12.20 C ATOM 2132 C TRP A 127 -2.301 18.719 -0.488 1.00 33.10 C ATOM 2133 O TRP A 127 -1.600 17.827 -1.001 1.00 4.53 O ATOM 2134 CB TRP A 127 -0.894 19.089 1.575 1.00 12.30 C ATOM 2135 CG TRP A 127 -0.107 20.210 0.958 1.00 64.11 C ATOM 2136 CD1 TRP A 127 -0.387 21.544 1.037 1.00 10.51 C ATOM 2137 CD2 TRP A 127 1.103 20.102 0.196 1.00 64.44 C ATOM 2138 NE1 TRP A 127 0.557 22.262 0.350 1.00 31.42 N ATOM 2139 CE2 TRP A 127 1.484 21.405 -0.169 1.00 53.40 C ATOM 2140 CE3 TRP A 127 1.897 19.031 -0.219 1.00 22.52 C ATOM 2141 CZ2 TRP A 127 2.620 21.665 -0.929 1.00 21.24 C ATOM 2142 CZ3 TRP A 127 3.025 19.293 -0.969 1.00 73.12 C ATOM 2143 CH2 TRP A 127 3.376 20.599 -1.315 1.00 3.31 C ATOM 0 H TRP A 127 -2.765 16.932 1.343 1.00 21.44 H new ATOM 0 HA TRP A 127 -2.844 19.873 1.204 1.00 12.20 H new ATOM 0 HB2 TRP A 127 -0.957 19.252 2.651 1.00 12.30 H new ATOM 0 HB3 TRP A 127 -0.354 18.154 1.425 1.00 12.30 H new ATOM 0 HD1 TRP A 127 -1.228 21.971 1.563 1.00 10.51 H new ATOM 0 HE1 TRP A 127 0.565 23.276 0.243 1.00 31.42 H new ATOM 0 HE3 TRP A 127 1.633 18.017 0.042 1.00 22.52 H new ATOM 0 HZ2 TRP A 127 2.892 22.674 -1.203 1.00 21.24 H new ATOM 0 HZ3 TRP A 127 3.648 18.473 -1.294 1.00 73.12 H new ATOM 0 HH2 TRP A 127 4.267 20.768 -1.902 1.00 3.31 H new ATOM 2154 N GLY A 128 -3.083 19.499 -1.180 1.00 74.54 N ATOM 2155 CA GLY A 128 -3.165 19.392 -2.590 1.00 2.23 C ATOM 2156 C GLY A 128 -4.369 20.116 -3.086 1.00 74.32 C ATOM 2157 O GLY A 128 -4.942 19.704 -4.101 1.00 39.11 O ATOM 2158 OXT GLY A 128 -4.767 21.107 -2.455 1.00 39.11 O ATOM 0 H GLY A 128 -3.676 20.222 -0.773 1.00 74.54 H new ATOM 0 HA2 GLY A 128 -2.267 19.807 -3.047 1.00 2.23 H new ATOM 0 HA3 GLY A 128 -3.216 18.343 -2.881 1.00 2.23 H new TER 2162 GLY A 128