USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1614 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 7 THR OG1 : rot 92:sc= -0.333! USER MOD Set 1.2: B 85 LYS NZ :NH3+ -154:sc= 0.634 (180deg=-0.448!) USER MOD Set 2.1: B 45 GLN : amide:sc= -13.8! C(o=-22!,f=-30!) USER MOD Set 2.2: B 48 HIS : no HE2:sc= -8.7! C(o=-22!,f=-32!) USER MOD Set 3.1: B 34 ASN : amide:sc= -8.48! C(o=-11!,f=-25!) USER MOD Set 3.2: B 36 ASN : amide:sc= -2.23! C(o=-11!,f=-11!) USER MOD Set 4.1: A 15 THR OG1 : rot 147:sc= 0.501 USER MOD Set 4.2: B 15 THR OG1 : rot -154:sc= 0.446 USER MOD Set 5.1: A 85 LYS NZ :NH3+ -159:sc= 0.356 (180deg=-0.795!) USER MOD Set 5.2: B 7 THR OG1 : rot 85:sc= 0.42 USER MOD Set 6.1: A 45 GLN : amide:sc= -14.2! C(o=-23!,f=-30!) USER MOD Set 6.2: A 48 HIS : no HE2:sc= -8.41! C(o=-23!,f=-30!) USER MOD Set 7.1: A 34 ASN : amide:sc= -8.12! C(o=-10!,f=-24!) USER MOD Set 7.2: A 36 ASN : amide:sc= -2.26! C(o=-10!,f=-11!) USER MOD Single : A 1 MET CE :methyl -117:sc= -2.8! (180deg=-9.65!) USER MOD Single : A 1 MET N :NH3+ -159:sc= -3.69! (180deg=-4.76!) USER MOD Single : A 5 THR OG1 : rot 119:sc= -2.64! USER MOD Single : A 18 SER OG : rot -18:sc= 0.378 USER MOD Single : A 19 THR OG1 : rot -18:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot -82:sc= 0.98 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.208 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -125:sc= -1.43! USER MOD Single : A 44 GLN : amide:sc= 0.831 K(o=0.83,f=-0.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 129:sc= -1.56 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -104:sc= -2.15 (180deg=-4.86!) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.265 (180deg=-0.537) USER MOD Single : A 62 THR OG1 : rot 70:sc= 0.808 USER MOD Single : A 66 ASN : amide:sc= -3.4! C(o=-3.4!,f=-10!) USER MOD Single : A 67 GLN : amide:sc= -13.6! C(o=-14!,f=-9.4!) USER MOD Single : A 69 SER OG : rot 81:sc= 0.659 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 71:sc= 0.0409 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 1.36 (180deg=0.758) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 0.945 (180deg=0.264!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -110:sc= -2.41! (180deg=-7.99!) USER MOD Single : B 1 MET N :NH3+ -154:sc= -3.71! (180deg=-4.76!) USER MOD Single : B 5 THR OG1 : rot 127:sc= -1.73! USER MOD Single : B 18 SER OG : rot -29:sc= 0.0594 USER MOD Single : B 19 THR OG1 : rot -19:sc= 0.945 USER MOD Single : B 22 THR OG1 : rot -77:sc= 0.913 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.203 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -108:sc= -1.7! USER MOD Single : B 44 GLN : amide:sc= 0.967 K(o=0.97,f=-0.34) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 128:sc= -2.09! USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl -106:sc= -2.11 (180deg=-4.83!) USER MOD Single : B 61 LYS NZ :NH3+ -165:sc= -0.275 (180deg=-0.61) USER MOD Single : B 62 THR OG1 : rot 67:sc= 0.916 USER MOD Single : B 66 ASN : amide:sc= -3.66! C(o=-3.7!,f=-10!) USER MOD Single : B 67 GLN : amide:sc= -11.8! C(o=-12!,f=-8.4!) USER MOD Single : B 69 SER OG : rot 84:sc= 0.799 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 68:sc= 0.0541 USER MOD Single : B 89 LYS NZ :NH3+ -166:sc= 1.38 (180deg=0.265!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 168:sc= 0.911 (180deg=0.556) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.990 4.797 -2.225 1.00 0.64 N ATOM 2 CA MET A 1 -18.265 6.063 -2.448 1.00 0.59 C ATOM 3 C MET A 1 -17.019 5.819 -3.277 1.00 0.60 C ATOM 4 O MET A 1 -16.758 4.699 -3.717 1.00 0.61 O ATOM 5 CB MET A 1 -17.867 6.715 -1.123 1.00 0.57 C ATOM 6 CG MET A 1 -18.864 7.741 -0.577 1.00 0.61 C ATOM 7 SD MET A 1 -20.594 7.261 -0.803 1.00 0.96 S ATOM 8 CE MET A 1 -21.436 8.832 -0.631 1.00 1.17 C ATOM 0 H1 MET A 1 -19.981 5.002 -1.984 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.956 4.221 -3.090 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.545 4.275 -1.444 1.00 0.64 H new ATOM 0 HA MET A 1 -18.936 6.736 -2.983 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.731 5.932 -0.377 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.901 7.203 -1.252 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.673 7.891 0.486 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.694 8.698 -1.070 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.095 8.798 0.236 1.00 1.17 H new ATOM 0 HE2 MET A 1 -20.701 9.626 -0.498 1.00 1.17 H new ATOM 0 HE3 MET A 1 -22.025 9.029 -1.527 1.00 1.17 H new ATOM 20 N ALA A 2 -16.253 6.874 -3.489 1.00 0.62 N ATOM 21 CA ALA A 2 -15.040 6.777 -4.273 1.00 0.65 C ATOM 22 C ALA A 2 -13.796 6.978 -3.424 1.00 0.62 C ATOM 23 O ALA A 2 -13.855 7.526 -2.325 1.00 0.72 O ATOM 24 CB ALA A 2 -15.062 7.775 -5.420 1.00 0.73 C ATOM 0 H ALA A 2 -16.451 7.807 -3.128 1.00 0.62 H new ATOM 0 HA ALA A 2 -15.000 5.767 -4.681 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -14.142 7.686 -5.997 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.916 7.569 -6.065 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -15.144 8.786 -5.021 1.00 0.73 H new ATOM 30 N ALA A 3 -12.668 6.516 -3.944 1.00 0.73 N ATOM 31 CA ALA A 3 -11.403 6.667 -3.255 1.00 0.76 C ATOM 32 C ALA A 3 -10.750 7.973 -3.661 1.00 0.66 C ATOM 33 O ALA A 3 -9.813 7.997 -4.459 1.00 0.81 O ATOM 34 CB ALA A 3 -10.489 5.495 -3.556 1.00 1.06 C ATOM 0 H ALA A 3 -12.607 6.034 -4.841 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.586 6.685 -2.181 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.544 5.626 -3.030 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.963 4.570 -3.226 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.303 5.445 -4.629 1.00 1.06 H new ATOM 40 N GLU A 4 -11.261 9.058 -3.104 1.00 0.63 N ATOM 41 CA GLU A 4 -10.743 10.385 -3.414 1.00 0.75 C ATOM 42 C GLU A 4 -9.345 10.580 -2.851 1.00 0.74 C ATOM 43 O GLU A 4 -8.360 10.272 -3.521 1.00 0.85 O ATOM 44 CB GLU A 4 -11.683 11.490 -2.921 1.00 0.97 C ATOM 45 CG GLU A 4 -12.523 11.114 -1.716 1.00 1.44 C ATOM 46 CD GLU A 4 -13.002 12.316 -0.942 1.00 2.42 C ATOM 47 OE1 GLU A 4 -12.147 13.081 -0.450 1.00 3.20 O ATOM 48 OE2 GLU A 4 -14.232 12.492 -0.835 1.00 3.03 O ATOM 0 H GLU A 4 -12.032 9.049 -2.436 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.684 10.458 -4.500 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.089 12.370 -2.673 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -12.348 11.774 -3.737 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.384 10.533 -2.046 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -11.939 10.472 -1.057 1.00 1.44 H new ATOM 55 N THR A 5 -9.244 11.087 -1.629 1.00 0.69 N ATOM 56 CA THR A 5 -7.935 11.325 -1.046 1.00 0.74 C ATOM 57 C THR A 5 -7.338 10.102 -0.308 1.00 0.61 C ATOM 58 O THR A 5 -7.240 9.022 -0.888 1.00 0.78 O ATOM 59 CB THR A 5 -7.971 12.556 -0.143 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.723 13.584 -0.787 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.553 13.034 0.145 1.00 1.09 C ATOM 0 H THR A 5 -10.035 11.336 -1.035 1.00 0.69 H new ATOM 0 HA THR A 5 -7.260 11.510 -1.881 1.00 0.74 H new ATOM 0 HB THR A 5 -8.446 12.303 0.805 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.501 13.814 -0.237 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.589 13.912 0.790 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.996 12.241 0.643 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.059 13.291 -0.792 1.00 1.09 H new ATOM 69 N LEU A 6 -6.946 10.266 0.970 1.00 0.54 N ATOM 70 CA LEU A 6 -6.303 9.206 1.726 1.00 0.50 C ATOM 71 C LEU A 6 -7.312 8.303 2.399 1.00 0.49 C ATOM 72 O LEU A 6 -7.824 8.621 3.468 1.00 0.56 O ATOM 73 CB LEU A 6 -5.400 9.823 2.793 1.00 0.61 C ATOM 74 CG LEU A 6 -4.416 10.879 2.293 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.919 12.277 2.613 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.048 10.655 2.910 1.00 1.07 C ATOM 0 H LEU A 6 -7.070 11.133 1.492 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.721 8.604 1.028 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -6.030 10.273 3.561 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.835 9.023 3.272 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.332 10.786 1.210 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -4.203 13.014 2.248 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.882 12.437 2.129 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -5.033 12.385 3.692 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.356 11.414 2.546 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.123 10.723 3.995 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.681 9.667 2.633 1.00 1.07 H new ATOM 88 N THR A 7 -7.595 7.166 1.795 1.00 0.50 N ATOM 89 CA THR A 7 -8.546 6.259 2.396 1.00 0.54 C ATOM 90 C THR A 7 -8.009 5.759 3.714 1.00 0.48 C ATOM 91 O THR A 7 -6.827 5.889 3.998 1.00 0.54 O ATOM 92 CB THR A 7 -8.875 5.053 1.497 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.047 5.075 0.331 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.343 5.054 1.090 1.00 0.83 C ATOM 0 H THR A 7 -7.191 6.855 0.911 1.00 0.50 H new ATOM 0 HA THR A 7 -9.469 6.821 2.541 1.00 0.54 H new ATOM 0 HB THR A 7 -8.680 4.143 2.065 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.236 4.550 0.496 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.545 4.191 0.456 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.968 5.004 1.982 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.568 5.968 0.541 1.00 0.83 H new ATOM 102 N GLU A 8 -8.876 5.152 4.500 1.00 0.45 N ATOM 103 CA GLU A 8 -8.492 4.630 5.811 1.00 0.44 C ATOM 104 C GLU A 8 -7.135 3.929 5.770 1.00 0.41 C ATOM 105 O GLU A 8 -6.438 3.857 6.782 1.00 0.42 O ATOM 106 CB GLU A 8 -9.537 3.652 6.341 1.00 0.50 C ATOM 107 CG GLU A 8 -10.977 4.083 6.115 1.00 0.52 C ATOM 108 CD GLU A 8 -11.257 5.481 6.631 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.046 6.449 5.870 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.689 5.608 7.796 1.00 1.67 O ATOM 0 H GLU A 8 -9.856 5.004 4.259 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.424 5.490 6.478 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.383 2.683 5.867 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.376 3.513 7.410 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.201 4.042 5.049 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.645 3.377 6.609 1.00 0.52 H new ATOM 117 N LEU A 9 -6.761 3.417 4.601 1.00 0.41 N ATOM 118 CA LEU A 9 -5.501 2.720 4.455 1.00 0.40 C ATOM 119 C LEU A 9 -4.320 3.633 4.787 1.00 0.38 C ATOM 120 O LEU A 9 -3.256 3.155 5.180 1.00 0.39 O ATOM 121 CB LEU A 9 -5.362 2.206 3.024 1.00 0.45 C ATOM 122 CG LEU A 9 -6.648 1.776 2.309 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.320 0.883 1.125 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.618 1.075 3.245 1.00 0.92 C ATOM 0 H LEU A 9 -7.316 3.475 3.747 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.493 1.883 5.153 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.889 2.987 2.429 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.680 1.356 3.035 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.139 2.682 1.952 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.243 0.585 0.627 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.688 1.427 0.423 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.793 -0.005 1.474 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.514 0.789 2.693 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -7.146 0.183 3.657 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.891 1.749 4.057 1.00 0.92 H new ATOM 136 N GLU A 10 -4.503 4.950 4.629 1.00 0.38 N ATOM 137 CA GLU A 10 -3.430 5.897 4.929 1.00 0.39 C ATOM 138 C GLU A 10 -2.953 5.682 6.354 1.00 0.38 C ATOM 139 O GLU A 10 -1.765 5.785 6.649 1.00 0.40 O ATOM 140 CB GLU A 10 -3.879 7.342 4.734 1.00 0.46 C ATOM 141 CG GLU A 10 -5.286 7.623 5.213 1.00 0.45 C ATOM 142 CD GLU A 10 -5.359 8.803 6.162 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.185 8.597 7.380 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.591 9.935 5.686 1.00 1.27 O ATOM 0 H GLU A 10 -5.370 5.376 4.301 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.610 5.716 4.234 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.189 8.000 5.262 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.811 7.592 3.675 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.926 7.815 4.352 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.679 6.737 5.711 1.00 0.45 H new ATOM 151 N ALA A 11 -3.900 5.375 7.238 1.00 0.39 N ATOM 152 CA ALA A 11 -3.578 5.107 8.631 1.00 0.39 C ATOM 153 C ALA A 11 -2.529 4.019 8.710 1.00 0.36 C ATOM 154 O ALA A 11 -1.764 3.950 9.666 1.00 0.39 O ATOM 155 CB ALA A 11 -4.823 4.700 9.404 1.00 0.42 C ATOM 0 H ALA A 11 -4.892 5.307 7.012 1.00 0.39 H new ATOM 0 HA ALA A 11 -3.184 6.018 9.082 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.558 4.504 10.443 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.557 5.505 9.362 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -5.247 3.799 8.962 1.00 0.42 H new ATOM 161 N ALA A 12 -2.509 3.161 7.698 1.00 0.33 N ATOM 162 CA ALA A 12 -1.534 2.089 7.633 1.00 0.33 C ATOM 163 C ALA A 12 -0.206 2.626 7.127 1.00 0.33 C ATOM 164 O ALA A 12 0.856 2.090 7.443 1.00 0.34 O ATOM 165 CB ALA A 12 -2.033 0.967 6.740 1.00 0.34 C ATOM 0 H ALA A 12 -3.159 3.190 6.912 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.389 1.685 8.635 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.288 0.172 6.704 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.967 0.571 7.140 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.203 1.351 5.734 1.00 0.34 H new ATOM 171 N ILE A 13 -0.274 3.692 6.333 1.00 0.36 N ATOM 172 CA ILE A 13 0.925 4.315 5.796 1.00 0.40 C ATOM 173 C ILE A 13 1.909 4.611 6.933 1.00 0.39 C ATOM 174 O ILE A 13 3.118 4.677 6.724 1.00 0.42 O ATOM 175 CB ILE A 13 0.580 5.606 4.996 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.533 5.761 3.809 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.603 6.864 5.866 1.00 0.99 C ATOM 178 CD1 ILE A 13 2.990 5.852 4.211 1.00 2.05 C ATOM 0 H ILE A 13 -1.146 4.139 6.050 1.00 0.36 H new ATOM 0 HA ILE A 13 1.396 3.622 5.099 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.441 5.493 4.632 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.402 4.914 3.136 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.262 6.657 3.250 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.355 7.733 5.256 1.00 0.99 H new ATOM 0 HG22 ILE A 13 -0.127 6.764 6.669 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.597 6.993 6.294 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.607 5.960 3.319 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.135 6.716 4.860 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.278 4.946 4.743 1.00 2.05 H new ATOM 190 N GLU A 14 1.354 4.782 8.135 1.00 0.39 N ATOM 191 CA GLU A 14 2.140 5.063 9.328 1.00 0.42 C ATOM 192 C GLU A 14 3.069 3.899 9.650 1.00 0.38 C ATOM 193 O GLU A 14 4.250 4.088 9.946 1.00 0.46 O ATOM 194 CB GLU A 14 1.198 5.324 10.513 1.00 0.46 C ATOM 195 CG GLU A 14 0.657 4.060 11.170 1.00 0.79 C ATOM 196 CD GLU A 14 -0.323 4.354 12.290 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.523 4.540 11.998 1.00 2.25 O ATOM 198 OE2 GLU A 14 0.112 4.399 13.460 1.00 2.02 O ATOM 0 H GLU A 14 0.349 4.729 8.304 1.00 0.39 H new ATOM 0 HA GLU A 14 2.750 5.947 9.144 1.00 0.42 H new ATOM 0 HB2 GLU A 14 1.729 5.911 11.262 1.00 0.46 H new ATOM 0 HB3 GLU A 14 0.359 5.929 10.170 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.166 3.445 10.416 1.00 0.79 H new ATOM 0 HG3 GLU A 14 1.489 3.476 11.565 1.00 0.79 H new ATOM 205 N THR A 15 2.517 2.692 9.614 1.00 0.30 N ATOM 206 CA THR A 15 3.304 1.501 9.905 1.00 0.28 C ATOM 207 C THR A 15 4.412 1.338 8.879 1.00 0.29 C ATOM 208 O THR A 15 5.598 1.349 9.207 1.00 0.35 O ATOM 209 CB THR A 15 2.445 0.225 9.890 1.00 0.28 C ATOM 210 OG1 THR A 15 1.366 0.333 10.824 1.00 0.29 O ATOM 211 CG2 THR A 15 3.287 -0.998 10.224 1.00 0.32 C ATOM 0 H THR A 15 1.538 2.513 9.389 1.00 0.30 H new ATOM 0 HA THR A 15 3.720 1.636 10.903 1.00 0.28 H new ATOM 0 HB THR A 15 2.038 0.110 8.886 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.584 -0.146 10.478 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.658 -1.888 10.207 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.084 -1.103 9.488 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.723 -0.880 11.216 1.00 0.32 H new ATOM 219 N VAL A 16 3.999 1.196 7.631 1.00 0.27 N ATOM 220 CA VAL A 16 4.915 1.016 6.521 1.00 0.28 C ATOM 221 C VAL A 16 6.023 2.059 6.517 1.00 0.30 C ATOM 222 O VAL A 16 7.198 1.727 6.360 1.00 0.36 O ATOM 223 CB VAL A 16 4.163 1.084 5.185 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.480 2.430 5.029 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.110 0.831 4.030 1.00 0.33 C ATOM 0 H VAL A 16 3.016 1.203 7.360 1.00 0.27 H new ATOM 0 HA VAL A 16 5.368 0.033 6.645 1.00 0.28 H new ATOM 0 HB VAL A 16 3.398 0.307 5.179 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.951 2.462 4.076 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.770 2.574 5.843 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.228 3.223 5.055 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.560 0.883 3.090 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.896 1.586 4.032 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.556 -0.158 4.135 1.00 0.33 H new ATOM 235 N VAL A 17 5.651 3.320 6.688 1.00 0.31 N ATOM 236 CA VAL A 17 6.628 4.393 6.683 1.00 0.33 C ATOM 237 C VAL A 17 7.619 4.229 7.832 1.00 0.30 C ATOM 238 O VAL A 17 8.799 4.553 7.705 1.00 0.32 O ATOM 239 CB VAL A 17 5.965 5.784 6.775 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.342 6.011 8.145 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.974 6.878 6.458 1.00 0.50 C ATOM 0 H VAL A 17 4.687 3.621 6.831 1.00 0.31 H new ATOM 0 HA VAL A 17 7.157 4.330 5.732 1.00 0.33 H new ATOM 0 HB VAL A 17 5.165 5.823 6.035 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.884 6.999 8.177 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.581 5.252 8.329 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.114 5.944 8.911 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.489 7.852 6.528 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.798 6.831 7.171 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.359 6.736 5.448 1.00 0.50 H new ATOM 251 N SER A 18 7.123 3.726 8.959 1.00 0.33 N ATOM 252 CA SER A 18 7.953 3.524 10.141 1.00 0.40 C ATOM 253 C SER A 18 8.759 2.225 10.070 1.00 0.44 C ATOM 254 O SER A 18 9.680 2.015 10.855 1.00 0.59 O ATOM 255 CB SER A 18 7.086 3.530 11.400 1.00 0.51 C ATOM 256 OG SER A 18 7.872 3.332 12.562 1.00 1.32 O ATOM 0 H SER A 18 6.148 3.451 9.078 1.00 0.33 H new ATOM 0 HA SER A 18 8.665 4.349 10.180 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.554 4.478 11.474 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.332 2.746 11.330 1.00 0.51 H new ATOM 0 HG SER A 18 8.741 2.957 12.309 1.00 1.32 H new ATOM 262 N THR A 19 8.394 1.336 9.164 1.00 0.37 N ATOM 263 CA THR A 19 9.116 0.075 9.027 1.00 0.44 C ATOM 264 C THR A 19 10.363 0.179 8.136 1.00 0.46 C ATOM 265 O THR A 19 11.468 0.437 8.611 1.00 0.54 O ATOM 266 CB THR A 19 8.205 -1.062 8.513 1.00 0.45 C ATOM 267 OG1 THR A 19 7.608 -0.706 7.255 1.00 0.42 O ATOM 268 CG2 THR A 19 7.115 -1.384 9.526 1.00 0.49 C ATOM 0 H THR A 19 7.614 1.456 8.518 1.00 0.37 H new ATOM 0 HA THR A 19 9.452 -0.166 10.036 1.00 0.44 H new ATOM 0 HB THR A 19 8.826 -1.947 8.372 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.661 0.265 7.131 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.487 -2.187 9.141 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.572 -1.698 10.464 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.505 -0.497 9.698 1.00 0.49 H new ATOM 276 N PHE A 20 10.153 -0.027 6.842 1.00 0.45 N ATOM 277 CA PHE A 20 11.212 -0.030 5.836 1.00 0.54 C ATOM 278 C PHE A 20 11.555 1.365 5.388 1.00 0.52 C ATOM 279 O PHE A 20 12.710 1.663 5.087 1.00 0.64 O ATOM 280 CB PHE A 20 10.750 -0.909 4.671 1.00 0.60 C ATOM 281 CG PHE A 20 11.392 -0.654 3.341 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.720 -0.954 3.112 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.636 -0.143 2.307 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.281 -0.743 1.869 1.00 1.37 C ATOM 285 CE2 PHE A 20 11.185 0.076 1.067 1.00 1.77 C ATOM 286 CZ PHE A 20 12.508 -0.224 0.845 1.00 1.18 C ATOM 0 H PHE A 20 9.226 -0.200 6.453 1.00 0.45 H new ATOM 0 HA PHE A 20 12.129 -0.438 6.261 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.926 -1.951 4.940 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.673 -0.786 4.558 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.324 -1.357 3.911 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.595 0.089 2.475 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.320 -0.982 1.696 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.580 0.482 0.270 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.944 -0.055 -0.128 1.00 1.18 H new ATOM 296 N PHE A 21 10.562 2.222 5.342 1.00 0.44 N ATOM 297 CA PHE A 21 10.809 3.575 4.938 1.00 0.47 C ATOM 298 C PHE A 21 11.632 4.284 6.004 1.00 0.49 C ATOM 299 O PHE A 21 12.074 5.406 5.827 1.00 0.62 O ATOM 300 CB PHE A 21 9.507 4.319 4.633 1.00 0.48 C ATOM 301 CG PHE A 21 8.649 3.661 3.562 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.153 2.625 2.780 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.331 4.068 3.344 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.362 2.021 1.813 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.542 3.456 2.384 1.00 1.44 C ATOM 306 CZ PHE A 21 7.060 2.436 1.619 1.00 0.54 C ATOM 0 H PHE A 21 9.593 2.006 5.576 1.00 0.44 H new ATOM 0 HA PHE A 21 11.381 3.565 4.010 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.924 4.400 5.551 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.747 5.334 4.317 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.169 2.289 2.927 1.00 1.16 H new ATOM 0 HD2 PHE A 21 6.920 4.874 3.934 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.767 1.222 1.209 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.522 3.779 2.236 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.448 1.960 0.867 1.00 0.54 H new ATOM 316 N THR A 22 11.832 3.651 7.142 1.00 0.47 N ATOM 317 CA THR A 22 12.692 4.276 8.134 1.00 0.54 C ATOM 318 C THR A 22 14.154 4.049 7.772 1.00 0.49 C ATOM 319 O THR A 22 15.052 4.509 8.478 1.00 0.54 O ATOM 320 CB THR A 22 12.438 3.772 9.543 1.00 0.66 C ATOM 321 OG1 THR A 22 12.620 2.373 9.566 1.00 0.66 O ATOM 322 CG2 THR A 22 11.048 4.165 9.987 1.00 0.81 C ATOM 0 H THR A 22 11.434 2.748 7.399 1.00 0.47 H new ATOM 0 HA THR A 22 12.457 5.340 8.124 1.00 0.54 H new ATOM 0 HB THR A 22 13.143 4.223 10.242 1.00 0.66 H new ATOM 0 HG1 THR A 22 11.803 1.932 9.252 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.873 3.800 10.999 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.955 5.251 9.972 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.313 3.728 9.311 1.00 0.81 H new ATOM 330 N PHE A 23 14.398 3.336 6.664 1.00 0.49 N ATOM 331 CA PHE A 23 15.758 3.073 6.237 1.00 0.51 C ATOM 332 C PHE A 23 16.297 4.286 5.484 1.00 0.44 C ATOM 333 O PHE A 23 17.506 4.496 5.402 1.00 0.45 O ATOM 334 CB PHE A 23 15.813 1.739 5.464 1.00 0.68 C ATOM 335 CG PHE A 23 16.212 1.764 4.021 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.423 2.302 3.612 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.402 1.156 3.084 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.807 2.242 2.292 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.790 1.080 1.768 1.00 1.93 C ATOM 340 CZ PHE A 23 16.992 1.625 1.371 1.00 1.82 C ATOM 0 H PHE A 23 13.676 2.941 6.062 1.00 0.49 H new ATOM 0 HA PHE A 23 16.426 2.937 7.088 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.506 1.081 5.988 1.00 0.68 H new ATOM 0 HB3 PHE A 23 14.827 1.279 5.527 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.071 2.773 4.337 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.454 0.736 3.388 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.745 2.678 1.980 1.00 1.88 H new ATOM 0 HE2 PHE A 23 15.153 0.593 1.045 1.00 1.93 H new ATOM 0 HZ PHE A 23 17.295 1.568 0.336 1.00 1.82 H new ATOM 350 N ALA A 24 15.385 5.126 4.978 1.00 0.50 N ATOM 351 CA ALA A 24 15.786 6.360 4.296 1.00 0.58 C ATOM 352 C ALA A 24 16.749 7.124 5.172 1.00 0.60 C ATOM 353 O ALA A 24 17.656 7.802 4.689 1.00 0.65 O ATOM 354 CB ALA A 24 14.578 7.229 3.976 1.00 0.71 C ATOM 0 H ALA A 24 14.377 4.976 5.027 1.00 0.50 H new ATOM 0 HA ALA A 24 16.269 6.095 3.356 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.907 8.137 3.471 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.896 6.679 3.327 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.065 7.494 4.901 1.00 0.71 H new ATOM 360 N GLY A 25 16.532 7.001 6.476 1.00 0.68 N ATOM 361 CA GLY A 25 17.405 7.633 7.450 1.00 0.81 C ATOM 362 C GLY A 25 18.872 7.522 7.049 1.00 0.71 C ATOM 363 O GLY A 25 19.690 8.382 7.379 1.00 0.80 O ATOM 0 H GLY A 25 15.760 6.470 6.880 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.135 8.684 7.553 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.258 7.169 8.425 1.00 0.81 H new ATOM 367 N ARG A 26 19.183 6.447 6.325 1.00 0.60 N ATOM 368 CA ARG A 26 20.530 6.185 5.834 1.00 0.59 C ATOM 369 C ARG A 26 21.034 7.300 4.943 1.00 0.57 C ATOM 370 O ARG A 26 22.154 7.787 5.110 1.00 0.71 O ATOM 371 CB ARG A 26 20.540 4.867 5.056 1.00 0.61 C ATOM 372 CG ARG A 26 21.907 4.495 4.502 1.00 1.17 C ATOM 373 CD ARG A 26 22.155 2.998 4.589 1.00 0.97 C ATOM 374 NE ARG A 26 23.486 2.634 4.109 1.00 1.55 N ATOM 375 CZ ARG A 26 24.128 1.526 4.472 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.561 0.670 5.315 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.336 1.270 3.991 1.00 2.82 N ATOM 0 H ARG A 26 18.503 5.733 6.063 1.00 0.60 H new ATOM 0 HA ARG A 26 21.194 6.122 6.697 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.192 4.067 5.709 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.830 4.936 4.232 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.980 4.817 3.463 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.682 5.026 5.055 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.041 2.671 5.623 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.402 2.471 4.003 1.00 0.97 H new ATOM 0 HE ARG A 26 23.951 3.266 3.457 1.00 1.55 H new ATOM 0 HH11 ARG A 26 22.630 0.861 5.686 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.056 -0.178 5.591 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.775 1.923 3.342 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.827 0.420 4.270 1.00 2.82 H new ATOM 391 N GLU A 27 20.210 7.704 4.002 1.00 0.50 N ATOM 392 CA GLU A 27 20.585 8.752 3.081 1.00 0.58 C ATOM 393 C GLU A 27 20.241 10.122 3.650 1.00 0.80 C ATOM 394 O GLU A 27 19.935 10.252 4.834 1.00 1.27 O ATOM 395 CB GLU A 27 19.899 8.515 1.732 1.00 0.98 C ATOM 396 CG GLU A 27 20.740 7.684 0.778 1.00 0.85 C ATOM 397 CD GLU A 27 21.859 8.480 0.136 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.621 9.086 -0.930 1.00 1.63 O ATOM 399 OE2 GLU A 27 22.975 8.495 0.698 1.00 1.78 O ATOM 0 H GLU A 27 19.276 7.322 3.855 1.00 0.50 H new ATOM 0 HA GLU A 27 21.664 8.729 2.930 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.945 8.014 1.898 1.00 0.98 H new ATOM 0 HB3 GLU A 27 19.677 9.477 1.269 1.00 0.98 H new ATOM 0 HG2 GLU A 27 21.165 6.838 1.318 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.098 7.274 -0.002 1.00 0.85 H new ATOM 406 N GLY A 28 20.321 11.128 2.790 1.00 1.33 N ATOM 407 CA GLY A 28 20.038 12.513 3.160 1.00 1.88 C ATOM 408 C GLY A 28 19.057 12.674 4.304 1.00 1.36 C ATOM 409 O GLY A 28 18.156 11.857 4.493 1.00 1.58 O ATOM 0 H GLY A 28 20.585 11.009 1.812 1.00 1.33 H new ATOM 0 HA2 GLY A 28 20.974 13.001 3.430 1.00 1.88 H new ATOM 0 HA3 GLY A 28 19.647 13.035 2.287 1.00 1.88 H new ATOM 413 N ARG A 29 19.245 13.748 5.061 1.00 1.16 N ATOM 414 CA ARG A 29 18.417 14.036 6.220 1.00 1.06 C ATOM 415 C ARG A 29 16.931 13.781 5.968 1.00 1.13 C ATOM 416 O ARG A 29 16.306 13.011 6.697 1.00 1.73 O ATOM 417 CB ARG A 29 18.642 15.476 6.709 1.00 1.38 C ATOM 418 CG ARG A 29 18.181 16.567 5.748 1.00 1.78 C ATOM 419 CD ARG A 29 18.920 16.509 4.417 1.00 2.37 C ATOM 420 NE ARG A 29 18.597 17.648 3.562 1.00 2.89 N ATOM 421 CZ ARG A 29 19.122 17.833 2.355 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.988 16.959 1.865 1.00 3.91 N ATOM 423 NH2 ARG A 29 18.778 18.894 1.638 1.00 4.31 N ATOM 0 H ARG A 29 19.974 14.440 4.888 1.00 1.16 H new ATOM 0 HA ARG A 29 18.727 13.343 7.002 1.00 1.06 H new ATOM 0 HB2 ARG A 29 18.122 15.606 7.658 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.705 15.614 6.907 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.110 16.466 5.572 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.338 17.543 6.207 1.00 1.78 H new ATOM 0 HD2 ARG A 29 19.994 16.486 4.600 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.664 15.584 3.900 1.00 2.37 H new ATOM 0 HE ARG A 29 17.932 18.339 3.910 1.00 2.89 H new ATOM 0 HH11 ARG A 29 20.254 16.141 2.414 1.00 3.91 H new ATOM 0 HH12 ARG A 29 20.389 17.103 0.938 1.00 3.91 H new ATOM 0 HH21 ARG A 29 18.111 19.568 2.013 1.00 4.31 H new ATOM 0 HH22 ARG A 29 19.181 19.036 0.712 1.00 4.31 H new ATOM 437 N LYS A 30 16.356 14.415 4.950 1.00 1.04 N ATOM 438 CA LYS A 30 14.936 14.237 4.679 1.00 1.47 C ATOM 439 C LYS A 30 14.616 14.184 3.185 1.00 1.32 C ATOM 440 O LYS A 30 13.741 14.904 2.707 1.00 1.64 O ATOM 441 CB LYS A 30 14.134 15.356 5.349 1.00 2.03 C ATOM 442 CG LYS A 30 14.517 15.581 6.803 1.00 2.65 C ATOM 443 CD LYS A 30 13.710 16.707 7.426 1.00 3.51 C ATOM 444 CE LYS A 30 14.098 16.929 8.879 1.00 4.01 C ATOM 445 NZ LYS A 30 13.322 18.039 9.497 1.00 4.77 N ATOM 0 H LYS A 30 16.841 15.045 4.311 1.00 1.04 H new ATOM 0 HA LYS A 30 14.651 13.271 5.096 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.282 16.282 4.794 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.072 15.117 5.293 1.00 2.03 H new ATOM 0 HG2 LYS A 30 14.358 14.663 7.368 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.580 15.815 6.868 1.00 2.65 H new ATOM 0 HD2 LYS A 30 13.868 17.626 6.861 1.00 3.51 H new ATOM 0 HD3 LYS A 30 12.647 16.473 7.363 1.00 3.51 H new ATOM 0 HE2 LYS A 30 13.932 16.011 9.443 1.00 4.01 H new ATOM 0 HE3 LYS A 30 15.163 17.152 8.940 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 13.616 18.159 10.487 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 13.500 18.920 8.974 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 12.307 17.815 9.462 1.00 4.77 H new ATOM 459 N GLY A 31 15.322 13.338 2.449 1.00 0.95 N ATOM 460 CA GLY A 31 15.047 13.188 1.028 1.00 0.88 C ATOM 461 C GLY A 31 14.328 11.905 0.767 1.00 0.80 C ATOM 462 O GLY A 31 13.128 11.832 0.905 1.00 0.85 O ATOM 0 H GLY A 31 16.078 12.753 2.805 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.445 14.027 0.677 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.981 13.209 0.467 1.00 0.88 H new ATOM 466 N SER A 32 15.032 10.894 0.363 1.00 0.74 N ATOM 467 CA SER A 32 14.389 9.629 0.124 1.00 0.71 C ATOM 468 C SER A 32 15.272 8.510 0.585 1.00 0.70 C ATOM 469 O SER A 32 16.418 8.725 0.977 1.00 0.74 O ATOM 470 CB SER A 32 14.043 9.459 -1.358 1.00 0.68 C ATOM 471 OG SER A 32 14.971 10.140 -2.182 1.00 1.10 O ATOM 0 H SER A 32 16.037 10.912 0.192 1.00 0.74 H new ATOM 0 HA SER A 32 13.459 9.605 0.691 1.00 0.71 H new ATOM 0 HB2 SER A 32 14.036 8.399 -1.613 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.039 9.839 -1.546 1.00 0.68 H new ATOM 0 HG SER A 32 14.727 10.014 -3.123 1.00 1.10 H new ATOM 477 N LEU A 33 14.740 7.319 0.539 1.00 0.72 N ATOM 478 CA LEU A 33 15.521 6.170 0.906 1.00 0.74 C ATOM 479 C LEU A 33 16.145 5.645 -0.346 1.00 0.56 C ATOM 480 O LEU A 33 15.614 5.844 -1.438 1.00 0.52 O ATOM 481 CB LEU A 33 14.669 5.100 1.608 1.00 0.99 C ATOM 482 CG LEU A 33 14.448 3.754 0.890 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.507 2.876 1.704 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.907 3.933 -0.520 1.00 1.69 C ATOM 0 H LEU A 33 13.781 7.120 0.255 1.00 0.72 H new ATOM 0 HA LEU A 33 16.290 6.450 1.626 1.00 0.74 H new ATOM 0 HB2 LEU A 33 15.129 4.890 2.574 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.690 5.534 1.809 1.00 0.99 H new ATOM 0 HG LEU A 33 15.420 3.269 0.804 1.00 1.19 H new ATOM 0 HD11 LEU A 33 13.357 1.927 1.188 1.00 1.93 H new ATOM 0 HD12 LEU A 33 13.941 2.690 2.686 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.548 3.381 1.821 1.00 1.93 H new ATOM 0 HD21 LEU A 33 13.769 2.956 -0.983 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.951 4.454 -0.479 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.614 4.517 -1.109 1.00 1.69 H new ATOM 496 N ASN A 34 17.266 4.991 -0.215 1.00 0.57 N ATOM 497 CA ASN A 34 17.926 4.508 -1.392 1.00 0.47 C ATOM 498 C ASN A 34 17.789 2.999 -1.487 1.00 0.41 C ATOM 499 O ASN A 34 16.670 2.484 -1.467 1.00 0.56 O ATOM 500 CB ASN A 34 19.376 4.984 -1.355 1.00 0.56 C ATOM 501 CG ASN A 34 20.127 4.444 -0.150 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.897 3.490 -0.264 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.890 5.035 1.014 1.00 2.11 N ATOM 0 H ASN A 34 17.730 4.785 0.670 1.00 0.57 H new ATOM 0 HA ASN A 34 17.465 4.906 -2.296 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.883 4.670 -2.267 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.399 6.074 -1.337 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.354 4.701 1.859 1.00 2.11 H new ATOM 0 HD22 ASN A 34 19.244 5.823 1.064 1.00 2.11 H new ATOM 510 N ILE A 35 18.893 2.283 -1.624 1.00 0.54 N ATOM 511 CA ILE A 35 18.833 0.854 -1.688 1.00 0.54 C ATOM 512 C ILE A 35 19.981 0.213 -0.925 1.00 0.56 C ATOM 513 O ILE A 35 20.407 -0.895 -1.232 1.00 0.63 O ATOM 514 CB ILE A 35 18.779 0.371 -3.144 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.774 1.153 -4.011 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.358 0.554 -3.671 1.00 0.66 C ATOM 517 CD1 ILE A 35 21.172 1.233 -3.435 1.00 1.05 C ATOM 0 H ILE A 35 19.832 2.677 -1.692 1.00 0.54 H new ATOM 0 HA ILE A 35 17.911 0.537 -1.201 1.00 0.54 H new ATOM 0 HB ILE A 35 19.055 -0.683 -3.187 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.825 0.687 -4.995 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.395 2.165 -4.156 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.307 0.214 -4.705 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.666 -0.029 -3.063 1.00 0.66 H new ATOM 0 HG23 ILE A 35 17.085 1.608 -3.622 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.811 1.802 -4.110 1.00 1.05 H new ATOM 0 HD12 ILE A 35 21.138 1.727 -2.464 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.575 0.227 -3.316 1.00 1.05 H new ATOM 529 N ASN A 36 20.462 0.929 0.088 1.00 0.59 N ATOM 530 CA ASN A 36 21.542 0.440 0.935 1.00 0.63 C ATOM 531 C ASN A 36 20.976 -0.497 1.979 1.00 0.59 C ATOM 532 O ASN A 36 21.356 -1.664 2.045 1.00 0.59 O ATOM 533 CB ASN A 36 22.288 1.599 1.595 1.00 0.70 C ATOM 534 CG ASN A 36 23.152 2.363 0.610 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.644 1.800 -0.368 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.342 3.653 0.863 1.00 1.89 N ATOM 0 H ASN A 36 20.117 1.855 0.342 1.00 0.59 H new ATOM 0 HA ASN A 36 22.258 -0.102 0.318 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.568 2.281 2.048 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.913 1.214 2.401 1.00 0.70 H new ATOM 0 HD21 ASN A 36 23.915 4.217 0.235 1.00 1.89 H new ATOM 0 HD22 ASN A 36 22.915 4.080 1.685 1.00 1.89 H new ATOM 543 N GLU A 37 20.090 0.008 2.824 1.00 0.57 N ATOM 544 CA GLU A 37 19.469 -0.867 3.795 1.00 0.56 C ATOM 545 C GLU A 37 18.451 -1.726 3.088 1.00 0.50 C ATOM 546 O GLU A 37 18.101 -2.789 3.575 1.00 0.52 O ATOM 547 CB GLU A 37 18.831 -0.120 4.946 1.00 0.66 C ATOM 548 CG GLU A 37 19.677 1.039 5.409 1.00 0.75 C ATOM 549 CD GLU A 37 19.191 1.648 6.711 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.547 1.115 7.783 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.458 2.656 6.658 1.00 1.29 O ATOM 0 H GLU A 37 19.795 0.984 2.856 1.00 0.57 H new ATOM 0 HA GLU A 37 20.250 -1.485 4.238 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.851 0.246 4.641 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.670 -0.806 5.778 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.706 0.703 5.534 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.684 1.807 4.636 1.00 0.75 H new ATOM 558 N PHE A 38 17.974 -1.275 1.915 1.00 0.46 N ATOM 559 CA PHE A 38 17.046 -2.065 1.142 1.00 0.42 C ATOM 560 C PHE A 38 17.655 -3.451 0.956 1.00 0.45 C ATOM 561 O PHE A 38 16.966 -4.454 0.830 1.00 0.45 O ATOM 562 CB PHE A 38 16.813 -1.383 -0.208 1.00 0.43 C ATOM 563 CG PHE A 38 15.705 -1.966 -1.031 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.742 -3.280 -1.459 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.623 -1.184 -1.376 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.710 -3.803 -2.216 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.587 -1.693 -2.130 1.00 1.21 C ATOM 568 CZ PHE A 38 13.629 -3.009 -2.551 1.00 0.45 C ATOM 0 H PHE A 38 18.222 -0.377 1.499 1.00 0.46 H new ATOM 0 HA PHE A 38 16.085 -2.156 1.648 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.599 -0.329 -0.033 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.737 -1.429 -0.785 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.585 -3.904 -1.200 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.586 -0.155 -1.050 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.748 -4.831 -2.545 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.747 -1.067 -2.390 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.820 -3.416 -3.140 1.00 0.45 H new ATOM 578 N LYS A 39 18.980 -3.484 0.995 1.00 0.49 N ATOM 579 CA LYS A 39 19.710 -4.721 0.863 1.00 0.53 C ATOM 580 C LYS A 39 19.411 -5.675 1.996 1.00 0.53 C ATOM 581 O LYS A 39 19.795 -6.841 1.977 1.00 0.56 O ATOM 582 CB LYS A 39 21.179 -4.419 0.758 1.00 0.61 C ATOM 583 CG LYS A 39 21.442 -3.402 -0.316 1.00 0.67 C ATOM 584 CD LYS A 39 22.897 -3.430 -0.725 1.00 0.71 C ATOM 585 CE LYS A 39 23.769 -2.781 0.342 1.00 1.47 C ATOM 586 NZ LYS A 39 25.195 -2.681 -0.073 1.00 1.80 N ATOM 0 H LYS A 39 19.567 -2.659 1.118 1.00 0.49 H new ATOM 0 HA LYS A 39 19.387 -5.225 -0.048 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.547 -4.047 1.714 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.728 -5.335 0.539 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.811 -3.606 -1.181 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.178 -2.408 0.044 1.00 0.67 H new ATOM 0 HD2 LYS A 39 23.215 -4.460 -0.885 1.00 0.71 H new ATOM 0 HD3 LYS A 39 23.024 -2.907 -1.673 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.387 -1.784 0.562 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.701 -3.359 1.264 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.747 -2.233 0.686 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 25.570 -3.633 -0.258 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 25.266 -2.107 -0.937 1.00 1.80 H new ATOM 600 N GLU A 40 18.788 -5.143 3.007 1.00 0.52 N ATOM 601 CA GLU A 40 18.341 -5.932 4.129 1.00 0.56 C ATOM 602 C GLU A 40 16.992 -6.586 3.767 1.00 0.54 C ATOM 603 O GLU A 40 16.508 -7.469 4.473 1.00 0.60 O ATOM 604 CB GLU A 40 18.209 -5.045 5.382 1.00 0.60 C ATOM 605 CG GLU A 40 16.848 -4.382 5.533 1.00 1.09 C ATOM 606 CD GLU A 40 16.779 -3.453 6.730 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.114 -2.261 6.581 1.00 2.43 O ATOM 608 OE2 GLU A 40 16.391 -3.923 7.822 1.00 2.62 O ATOM 0 H GLU A 40 18.573 -4.149 3.081 1.00 0.52 H new ATOM 0 HA GLU A 40 19.068 -6.713 4.352 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.406 -5.652 6.266 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.976 -4.272 5.349 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.620 -3.819 4.628 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.082 -5.152 5.631 1.00 1.09 H new ATOM 615 N LEU A 41 16.393 -6.126 2.651 1.00 0.49 N ATOM 616 CA LEU A 41 15.101 -6.622 2.199 1.00 0.50 C ATOM 617 C LEU A 41 15.170 -8.063 1.697 1.00 0.55 C ATOM 618 O LEU A 41 15.060 -8.986 2.496 1.00 0.62 O ATOM 619 CB LEU A 41 14.525 -5.703 1.113 1.00 0.46 C ATOM 620 CG LEU A 41 14.301 -4.240 1.513 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.190 -3.633 0.676 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.976 -4.108 2.998 1.00 0.66 C ATOM 0 H LEU A 41 16.796 -5.407 2.050 1.00 0.49 H new ATOM 0 HA LEU A 41 14.437 -6.617 3.063 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.196 -5.724 0.255 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.572 -6.118 0.783 1.00 0.46 H new ATOM 0 HG LEU A 41 15.228 -3.697 1.326 1.00 0.44 H new ATOM 0 HD11 LEU A 41 13.040 -2.594 0.969 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.463 -3.677 -0.378 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.268 -4.192 0.835 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.824 -3.057 3.245 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.069 -4.669 3.223 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.803 -4.503 3.588 1.00 0.66 H new ATOM 634 N ALA A 42 15.353 -8.261 0.380 1.00 0.55 N ATOM 635 CA ALA A 42 15.414 -9.599 -0.199 1.00 0.61 C ATOM 636 C ALA A 42 16.150 -10.578 0.703 1.00 0.67 C ATOM 637 O ALA A 42 15.791 -11.742 0.790 1.00 0.74 O ATOM 638 CB ALA A 42 16.079 -9.557 -1.547 1.00 0.65 C ATOM 0 H ALA A 42 15.460 -7.506 -0.297 1.00 0.55 H new ATOM 0 HA ALA A 42 14.387 -9.949 -0.307 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.117 -10.563 -1.966 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.511 -8.908 -2.213 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.092 -9.170 -1.441 1.00 0.65 H new ATOM 644 N THR A 43 17.150 -10.077 1.409 1.00 0.66 N ATOM 645 CA THR A 43 17.954 -10.888 2.290 1.00 0.73 C ATOM 646 C THR A 43 17.089 -11.607 3.329 1.00 0.78 C ATOM 647 O THR A 43 17.073 -12.833 3.385 1.00 0.86 O ATOM 648 CB THR A 43 19.005 -10.000 2.970 1.00 0.72 C ATOM 649 OG1 THR A 43 18.520 -8.648 3.068 1.00 0.66 O ATOM 650 CG2 THR A 43 20.311 -10.020 2.191 1.00 0.75 C ATOM 0 H THR A 43 17.423 -9.094 1.383 1.00 0.66 H new ATOM 0 HA THR A 43 18.456 -11.658 1.704 1.00 0.73 H new ATOM 0 HB THR A 43 19.189 -10.392 3.970 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.168 -8.037 2.659 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.042 -9.384 2.690 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.690 -11.041 2.143 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.138 -9.649 1.181 1.00 0.75 H new ATOM 658 N GLN A 44 16.406 -10.844 4.173 1.00 0.77 N ATOM 659 CA GLN A 44 15.507 -11.409 5.163 1.00 0.85 C ATOM 660 C GLN A 44 14.196 -11.745 4.496 1.00 0.85 C ATOM 661 O GLN A 44 13.526 -12.714 4.851 1.00 0.94 O ATOM 662 CB GLN A 44 15.288 -10.418 6.308 1.00 0.88 C ATOM 663 CG GLN A 44 14.188 -10.829 7.271 1.00 1.54 C ATOM 664 CD GLN A 44 14.478 -12.145 7.959 1.00 2.05 C ATOM 665 OE1 GLN A 44 15.092 -12.180 9.025 1.00 2.54 O ATOM 666 NE2 GLN A 44 14.038 -13.240 7.350 1.00 2.75 N ATOM 0 H GLN A 44 16.461 -9.826 4.189 1.00 0.77 H new ATOM 0 HA GLN A 44 15.944 -12.316 5.581 1.00 0.85 H new ATOM 0 HB2 GLN A 44 16.220 -10.305 6.862 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.046 -9.441 5.890 1.00 0.88 H new ATOM 0 HG2 GLN A 44 14.059 -10.051 8.023 1.00 1.54 H new ATOM 0 HG3 GLN A 44 13.246 -10.907 6.729 1.00 1.54 H new ATOM 0 HE21 GLN A 44 13.533 -13.164 6.467 1.00 2.75 H new ATOM 0 HE22 GLN A 44 14.205 -14.157 7.765 1.00 2.75 H new ATOM 675 N GLN A 45 13.841 -10.928 3.521 1.00 0.78 N ATOM 676 CA GLN A 45 12.639 -11.139 2.759 1.00 0.83 C ATOM 677 C GLN A 45 12.684 -12.511 2.133 1.00 0.79 C ATOM 678 O GLN A 45 11.647 -13.131 1.892 1.00 0.80 O ATOM 679 CB GLN A 45 12.530 -10.091 1.677 1.00 0.93 C ATOM 680 CG GLN A 45 11.986 -8.775 2.163 1.00 0.97 C ATOM 681 CD GLN A 45 10.924 -8.254 1.235 1.00 1.36 C ATOM 682 OE1 GLN A 45 9.753 -8.568 1.387 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.331 -7.496 0.240 1.00 1.43 N ATOM 0 H GLN A 45 14.378 -10.107 3.242 1.00 0.78 H new ATOM 0 HA GLN A 45 11.773 -11.064 3.416 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.515 -9.928 1.241 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.888 -10.468 0.881 1.00 0.93 H new ATOM 0 HG2 GLN A 45 11.572 -8.896 3.164 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.795 -8.049 2.239 1.00 0.97 H new ATOM 0 HE21 GLN A 45 12.319 -7.258 0.151 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.659 -7.146 -0.443 1.00 1.43 H new ATOM 692 N LEU A 46 13.909 -12.984 1.865 1.00 0.78 N ATOM 693 CA LEU A 46 14.110 -14.307 1.289 1.00 0.78 C ATOM 694 C LEU A 46 13.197 -15.286 1.999 1.00 0.74 C ATOM 695 O LEU A 46 12.151 -15.623 1.458 1.00 0.75 O ATOM 696 CB LEU A 46 15.573 -14.761 1.370 1.00 0.83 C ATOM 697 CG LEU A 46 16.424 -14.528 0.114 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.799 -15.153 0.291 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.734 -15.105 -1.114 1.00 1.30 C ATOM 0 H LEU A 46 14.770 -12.466 2.040 1.00 0.78 H new ATOM 0 HA LEU A 46 13.863 -14.268 0.228 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.046 -14.245 2.205 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.589 -15.826 1.602 1.00 0.83 H new ATOM 0 HG LEU A 46 16.542 -13.454 -0.032 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.395 -14.982 -0.606 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.297 -14.701 1.149 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.693 -16.225 0.457 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.352 -14.930 -1.995 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.589 -16.177 -0.980 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.766 -14.622 -1.248 1.00 1.30 H new ATOM 711 N PRO A 47 13.511 -15.726 3.237 1.00 0.78 N ATOM 712 CA PRO A 47 12.600 -16.633 3.893 1.00 0.80 C ATOM 713 C PRO A 47 11.394 -15.904 4.455 1.00 0.77 C ATOM 714 O PRO A 47 11.390 -15.430 5.591 1.00 0.81 O ATOM 715 CB PRO A 47 13.439 -17.179 5.049 1.00 0.90 C ATOM 716 CG PRO A 47 14.467 -16.135 5.322 1.00 0.95 C ATOM 717 CD PRO A 47 14.717 -15.433 4.019 1.00 0.90 C ATOM 0 HA PRO A 47 12.211 -17.392 3.215 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.823 -17.362 5.929 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.904 -18.128 4.782 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.116 -15.434 6.079 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.384 -16.584 5.703 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.854 -14.361 4.160 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.615 -15.807 3.527 1.00 0.90 H new ATOM 725 N HIS A 48 10.380 -15.824 3.616 1.00 0.73 N ATOM 726 CA HIS A 48 9.083 -15.282 3.974 1.00 0.74 C ATOM 727 C HIS A 48 8.143 -16.431 4.281 1.00 0.83 C ATOM 728 O HIS A 48 8.584 -17.550 4.546 1.00 0.91 O ATOM 729 CB HIS A 48 8.531 -14.390 2.855 1.00 0.73 C ATOM 730 CG HIS A 48 8.527 -12.951 3.240 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.481 -12.055 2.808 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.699 -12.258 4.053 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.242 -10.874 3.342 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.165 -10.971 4.102 1.00 1.61 N ATOM 0 H HIS A 48 10.435 -16.140 2.648 1.00 0.73 H new ATOM 0 HA HIS A 48 9.181 -14.653 4.859 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.132 -14.523 1.955 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.516 -14.703 2.609 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.251 -12.272 2.175 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.832 -12.646 4.568 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.827 -9.979 3.185 1.00 2.04 H new ATOM 743 N LEU A 49 6.847 -16.160 4.249 1.00 0.88 N ATOM 744 CA LEU A 49 5.875 -17.222 4.386 1.00 1.00 C ATOM 745 C LEU A 49 5.781 -17.866 3.004 1.00 0.98 C ATOM 746 O LEU A 49 6.468 -18.847 2.720 1.00 1.02 O ATOM 747 CB LEU A 49 4.517 -16.685 4.849 1.00 1.10 C ATOM 748 CG LEU A 49 4.457 -16.248 6.313 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.068 -15.735 6.660 1.00 2.02 C ATOM 750 CD2 LEU A 49 4.844 -17.400 7.228 1.00 2.44 C ATOM 0 H LEU A 49 6.453 -15.227 4.131 1.00 0.88 H new ATOM 0 HA LEU A 49 6.175 -17.944 5.145 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.246 -15.836 4.221 1.00 1.10 H new ATOM 0 HB3 LEU A 49 3.764 -17.456 4.685 1.00 1.10 H new ATOM 0 HG LEU A 49 5.170 -15.436 6.460 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.044 -15.429 7.706 1.00 2.02 H new ATOM 0 HD12 LEU A 49 2.826 -14.882 6.026 1.00 2.02 H new ATOM 0 HD13 LEU A 49 2.337 -16.527 6.497 1.00 2.02 H new ATOM 0 HD21 LEU A 49 4.796 -17.072 8.266 1.00 2.44 H new ATOM 0 HD22 LEU A 49 4.155 -18.231 7.078 1.00 2.44 H new ATOM 0 HD23 LEU A 49 5.859 -17.724 6.996 1.00 2.44 H new ATOM 762 N LEU A 50 4.926 -17.309 2.146 1.00 0.98 N ATOM 763 CA LEU A 50 4.813 -17.770 0.767 1.00 1.01 C ATOM 764 C LEU A 50 5.865 -17.048 -0.081 1.00 0.92 C ATOM 765 O LEU A 50 5.538 -16.407 -1.080 1.00 1.01 O ATOM 766 CB LEU A 50 3.408 -17.507 0.221 1.00 1.11 C ATOM 767 CG LEU A 50 3.158 -18.011 -1.201 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.405 -19.510 -1.287 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.742 -17.676 -1.643 1.00 2.25 C ATOM 0 H LEU A 50 4.302 -16.538 2.384 1.00 0.98 H new ATOM 0 HA LEU A 50 4.986 -18.846 0.728 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.683 -17.974 0.888 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.220 -16.434 0.247 1.00 1.11 H new ATOM 0 HG LEU A 50 3.855 -17.510 -1.872 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.222 -19.851 -2.306 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.438 -19.725 -1.012 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.732 -20.029 -0.604 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.581 -18.042 -2.657 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.029 -18.150 -0.969 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.600 -16.596 -1.620 1.00 2.25 H new ATOM 781 N LYS A 51 7.128 -17.152 0.329 1.00 0.85 N ATOM 782 CA LYS A 51 8.228 -16.471 -0.346 1.00 0.81 C ATOM 783 C LYS A 51 8.098 -16.479 -1.867 1.00 0.88 C ATOM 784 O LYS A 51 7.504 -17.379 -2.461 1.00 1.03 O ATOM 785 CB LYS A 51 9.572 -17.089 0.059 1.00 0.97 C ATOM 786 CG LYS A 51 10.771 -16.513 -0.706 1.00 1.23 C ATOM 787 CD LYS A 51 12.059 -17.340 -0.563 1.00 2.11 C ATOM 788 CE LYS A 51 12.068 -18.256 0.656 1.00 2.68 C ATOM 789 NZ LYS A 51 13.418 -18.830 0.912 1.00 3.58 N ATOM 0 H LYS A 51 7.415 -17.708 1.134 1.00 0.85 H new ATOM 0 HA LYS A 51 8.184 -15.430 -0.025 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.726 -16.935 1.127 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.531 -18.166 -0.105 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.514 -16.440 -1.763 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.961 -15.499 -0.353 1.00 1.23 H new ATOM 0 HD2 LYS A 51 12.194 -17.943 -1.461 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.911 -16.662 -0.503 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.740 -17.697 1.532 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.352 -19.065 0.507 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 13.380 -19.446 1.749 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.721 -19.385 0.087 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.097 -18.060 1.080 1.00 3.58 H new ATOM 803 N ASP A 52 8.670 -15.445 -2.473 1.00 0.92 N ATOM 804 CA ASP A 52 8.684 -15.280 -3.924 1.00 1.17 C ATOM 805 C ASP A 52 10.026 -15.745 -4.485 1.00 1.23 C ATOM 806 O ASP A 52 10.087 -16.281 -5.588 1.00 1.47 O ATOM 807 CB ASP A 52 8.432 -13.819 -4.303 1.00 1.29 C ATOM 808 CG ASP A 52 6.988 -13.411 -4.096 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.551 -13.346 -2.928 1.00 2.61 O ATOM 810 OD2 ASP A 52 6.291 -13.162 -5.102 1.00 2.35 O ATOM 0 H ASP A 52 9.140 -14.693 -1.970 1.00 0.92 H new ATOM 0 HA ASP A 52 7.887 -15.888 -4.352 1.00 1.17 H new ATOM 0 HB2 ASP A 52 9.078 -13.175 -3.707 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.704 -13.665 -5.347 1.00 1.29 H new ATOM 815 N VAL A 53 11.089 -15.510 -3.696 1.00 1.13 N ATOM 816 CA VAL A 53 12.468 -15.897 -3.999 1.00 1.26 C ATOM 817 C VAL A 53 13.286 -14.734 -4.546 1.00 1.24 C ATOM 818 O VAL A 53 13.527 -14.645 -5.750 1.00 1.48 O ATOM 819 CB VAL A 53 12.547 -17.066 -4.983 1.00 1.57 C ATOM 820 CG1 VAL A 53 13.992 -17.443 -5.286 1.00 2.17 C ATOM 821 CG2 VAL A 53 11.774 -18.273 -4.467 1.00 1.91 C ATOM 0 H VAL A 53 11.003 -15.029 -2.801 1.00 1.13 H new ATOM 0 HA VAL A 53 12.892 -16.213 -3.046 1.00 1.26 H new ATOM 0 HB VAL A 53 12.084 -16.738 -5.914 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.011 -18.277 -5.988 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.507 -16.588 -5.724 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.493 -17.735 -4.363 1.00 2.17 H new ATOM 0 HG21 VAL A 53 11.848 -19.088 -5.187 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.193 -18.593 -3.513 1.00 1.91 H new ATOM 0 HG23 VAL A 53 10.727 -18.003 -4.331 1.00 1.91 H new ATOM 831 N GLY A 54 13.702 -13.838 -3.659 1.00 1.06 N ATOM 832 CA GLY A 54 14.522 -12.719 -4.084 1.00 1.11 C ATOM 833 C GLY A 54 15.805 -13.190 -4.740 1.00 1.14 C ATOM 834 O GLY A 54 16.751 -13.584 -4.060 1.00 1.24 O ATOM 0 H GLY A 54 13.489 -13.865 -2.662 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.960 -12.100 -4.783 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.760 -12.093 -3.224 1.00 1.11 H new ATOM 838 N SER A 55 15.826 -13.166 -6.068 1.00 1.18 N ATOM 839 CA SER A 55 16.992 -13.606 -6.826 1.00 1.25 C ATOM 840 C SER A 55 18.120 -12.582 -6.747 1.00 1.11 C ATOM 841 O SER A 55 17.888 -11.381 -6.868 1.00 1.10 O ATOM 842 CB SER A 55 16.609 -13.843 -8.287 1.00 1.41 C ATOM 843 OG SER A 55 16.334 -12.619 -8.946 1.00 1.61 O ATOM 0 H SER A 55 15.047 -12.846 -6.643 1.00 1.18 H new ATOM 0 HA SER A 55 17.346 -14.539 -6.388 1.00 1.25 H new ATOM 0 HB2 SER A 55 17.419 -14.362 -8.799 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.734 -14.491 -8.337 1.00 1.41 H new ATOM 0 HG SER A 55 16.851 -12.572 -9.777 1.00 1.61 H new ATOM 849 N LEU A 56 19.346 -13.068 -6.564 1.00 1.15 N ATOM 850 CA LEU A 56 20.518 -12.196 -6.466 1.00 1.10 C ATOM 851 C LEU A 56 20.472 -11.078 -7.502 1.00 0.98 C ATOM 852 O LEU A 56 20.455 -9.898 -7.152 1.00 0.97 O ATOM 853 CB LEU A 56 21.800 -13.008 -6.643 1.00 1.28 C ATOM 854 CG LEU A 56 23.091 -12.191 -6.600 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.239 -11.499 -5.253 1.00 2.61 C ATOM 856 CD2 LEU A 56 24.294 -13.077 -6.883 1.00 2.83 C ATOM 0 H LEU A 56 19.555 -14.063 -6.480 1.00 1.15 H new ATOM 0 HA LEU A 56 20.508 -11.743 -5.475 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.842 -13.768 -5.863 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.751 -13.533 -7.597 1.00 1.28 H new ATOM 0 HG LEU A 56 23.041 -11.426 -7.375 1.00 2.03 H new ATOM 0 HD11 LEU A 56 24.164 -10.922 -5.240 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.392 -10.832 -5.092 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.267 -12.247 -4.461 1.00 2.61 H new ATOM 0 HD21 LEU A 56 25.204 -12.477 -6.848 1.00 2.83 H new ATOM 0 HD22 LEU A 56 24.350 -13.865 -6.132 1.00 2.83 H new ATOM 0 HD23 LEU A 56 24.192 -13.524 -7.872 1.00 2.83 H new ATOM 868 N ASP A 57 20.450 -11.451 -8.778 1.00 1.00 N ATOM 869 CA ASP A 57 20.399 -10.468 -9.854 1.00 1.01 C ATOM 870 C ASP A 57 19.288 -9.464 -9.613 1.00 0.95 C ATOM 871 O ASP A 57 19.514 -8.254 -9.620 1.00 0.96 O ATOM 872 CB ASP A 57 20.162 -11.133 -11.201 1.00 1.15 C ATOM 873 CG ASP A 57 19.250 -12.341 -11.109 1.00 1.69 C ATOM 874 OD1 ASP A 57 18.017 -12.162 -11.191 1.00 2.48 O ATOM 875 OD2 ASP A 57 19.770 -13.467 -10.958 1.00 2.20 O ATOM 0 H ASP A 57 20.467 -12.422 -9.091 1.00 1.00 H new ATOM 0 HA ASP A 57 21.363 -9.960 -9.866 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.727 -10.407 -11.888 1.00 1.15 H new ATOM 0 HB3 ASP A 57 21.119 -11.438 -11.624 1.00 1.15 H new ATOM 880 N GLU A 58 18.085 -9.977 -9.395 1.00 0.94 N ATOM 881 CA GLU A 58 16.930 -9.133 -9.142 1.00 0.95 C ATOM 882 C GLU A 58 17.246 -8.188 -8.000 1.00 0.87 C ATOM 883 O GLU A 58 16.896 -7.009 -8.031 1.00 0.90 O ATOM 884 CB GLU A 58 15.706 -9.983 -8.797 1.00 0.98 C ATOM 885 CG GLU A 58 14.457 -9.162 -8.534 1.00 1.43 C ATOM 886 CD GLU A 58 13.979 -8.416 -9.764 1.00 1.80 C ATOM 887 OE1 GLU A 58 14.501 -7.313 -10.028 1.00 2.42 O ATOM 888 OE2 GLU A 58 13.085 -8.937 -10.463 1.00 2.29 O ATOM 0 H GLU A 58 17.885 -10.977 -9.389 1.00 0.94 H new ATOM 0 HA GLU A 58 16.703 -8.560 -10.041 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.511 -10.675 -9.616 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.928 -10.586 -7.916 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.662 -9.819 -8.181 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.658 -8.448 -7.736 1.00 1.43 H new ATOM 895 N LYS A 59 17.923 -8.723 -6.994 1.00 0.81 N ATOM 896 CA LYS A 59 18.313 -7.937 -5.843 1.00 0.76 C ATOM 897 C LYS A 59 19.397 -6.931 -6.225 1.00 0.80 C ATOM 898 O LYS A 59 19.580 -5.920 -5.550 1.00 0.79 O ATOM 899 CB LYS A 59 18.785 -8.855 -4.710 1.00 0.75 C ATOM 900 CG LYS A 59 17.753 -9.912 -4.327 1.00 0.75 C ATOM 901 CD LYS A 59 18.393 -11.158 -3.730 1.00 1.14 C ATOM 902 CE LYS A 59 19.423 -10.821 -2.663 1.00 1.95 C ATOM 903 NZ LYS A 59 20.214 -12.018 -2.263 1.00 2.67 N ATOM 0 H LYS A 59 18.212 -9.701 -6.956 1.00 0.81 H new ATOM 0 HA LYS A 59 17.447 -7.378 -5.489 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.708 -9.350 -5.012 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.019 -8.250 -3.834 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.051 -9.488 -3.609 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.177 -10.190 -5.210 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.618 -11.790 -3.297 1.00 1.14 H new ATOM 0 HD3 LYS A 59 18.869 -11.735 -4.523 1.00 1.14 H new ATOM 0 HE2 LYS A 59 20.095 -10.049 -3.037 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.920 -10.409 -1.789 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.906 -11.749 -1.534 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.575 -12.745 -1.883 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.714 -12.396 -3.092 1.00 2.67 H new ATOM 917 N MET A 60 20.114 -7.221 -7.311 1.00 0.86 N ATOM 918 CA MET A 60 21.166 -6.346 -7.797 1.00 0.92 C ATOM 919 C MET A 60 20.599 -5.184 -8.615 1.00 0.96 C ATOM 920 O MET A 60 21.080 -4.055 -8.523 1.00 1.01 O ATOM 921 CB MET A 60 22.165 -7.131 -8.649 1.00 1.00 C ATOM 922 CG MET A 60 23.047 -8.073 -7.847 1.00 1.00 C ATOM 923 SD MET A 60 24.234 -8.954 -8.879 1.00 1.73 S ATOM 924 CE MET A 60 25.246 -9.746 -7.630 1.00 2.31 C ATOM 0 H MET A 60 19.979 -8.063 -7.870 1.00 0.86 H new ATOM 0 HA MET A 60 21.675 -5.936 -6.925 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.618 -7.707 -9.395 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.798 -6.428 -9.190 1.00 1.00 H new ATOM 0 HG2 MET A 60 23.583 -7.505 -7.087 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.420 -8.795 -7.323 1.00 1.00 H new ATOM 0 HE1 MET A 60 26.194 -9.215 -7.539 1.00 2.31 H new ATOM 0 HE2 MET A 60 24.725 -9.725 -6.673 1.00 2.31 H new ATOM 0 HE3 MET A 60 25.435 -10.780 -7.917 1.00 2.31 H new ATOM 934 N LYS A 61 19.580 -5.471 -9.417 1.00 0.97 N ATOM 935 CA LYS A 61 18.954 -4.447 -10.254 1.00 1.02 C ATOM 936 C LYS A 61 18.004 -3.601 -9.438 1.00 0.96 C ATOM 937 O LYS A 61 18.036 -2.372 -9.487 1.00 0.92 O ATOM 938 CB LYS A 61 18.162 -5.070 -11.408 1.00 1.08 C ATOM 939 CG LYS A 61 18.559 -6.492 -11.754 1.00 1.55 C ATOM 940 CD LYS A 61 17.941 -6.934 -13.069 1.00 2.07 C ATOM 941 CE LYS A 61 18.360 -8.349 -13.430 1.00 2.59 C ATOM 942 NZ LYS A 61 19.838 -8.470 -13.570 1.00 3.16 N ATOM 0 H LYS A 61 19.169 -6.400 -9.507 1.00 0.97 H new ATOM 0 HA LYS A 61 19.760 -3.833 -10.657 1.00 1.02 H new ATOM 0 HB2 LYS A 61 17.102 -5.055 -11.153 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.286 -4.447 -12.294 1.00 1.08 H new ATOM 0 HG2 LYS A 61 19.645 -6.563 -11.818 1.00 1.55 H new ATOM 0 HG3 LYS A 61 18.242 -7.164 -10.957 1.00 1.55 H new ATOM 0 HD2 LYS A 61 16.855 -6.881 -12.998 1.00 2.07 H new ATOM 0 HD3 LYS A 61 18.242 -6.250 -13.862 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.010 -9.039 -12.662 1.00 2.59 H new ATOM 0 HE3 LYS A 61 17.881 -8.643 -14.364 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.069 -9.360 -14.056 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 20.201 -7.668 -14.124 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 20.277 -8.466 -12.627 1.00 3.16 H new ATOM 956 N THR A 62 17.152 -4.280 -8.686 1.00 0.98 N ATOM 957 CA THR A 62 16.161 -3.611 -7.863 1.00 0.96 C ATOM 958 C THR A 62 16.773 -2.450 -7.084 1.00 0.86 C ATOM 959 O THR A 62 16.079 -1.500 -6.724 1.00 0.84 O ATOM 960 CB THR A 62 15.467 -4.584 -6.892 1.00 1.02 C ATOM 961 OG1 THR A 62 14.912 -5.693 -7.616 1.00 1.12 O ATOM 962 CG2 THR A 62 14.361 -3.869 -6.134 1.00 1.05 C ATOM 0 H THR A 62 17.128 -5.298 -8.630 1.00 0.98 H new ATOM 0 HA THR A 62 15.408 -3.216 -8.545 1.00 0.96 H new ATOM 0 HB THR A 62 16.208 -4.952 -6.182 1.00 1.02 H new ATOM 0 HG1 THR A 62 15.637 -6.261 -7.950 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.878 -4.567 -5.451 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.785 -3.041 -5.566 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.625 -3.485 -6.841 1.00 1.05 H new ATOM 970 N LEU A 63 18.076 -2.534 -6.826 1.00 0.86 N ATOM 971 CA LEU A 63 18.769 -1.467 -6.120 1.00 0.84 C ATOM 972 C LEU A 63 18.580 -0.151 -6.859 1.00 0.80 C ATOM 973 O LEU A 63 18.078 0.827 -6.303 1.00 0.89 O ATOM 974 CB LEU A 63 20.260 -1.774 -6.001 1.00 0.95 C ATOM 975 CG LEU A 63 20.622 -2.804 -4.934 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.395 -3.954 -5.546 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.422 -2.161 -3.817 1.00 1.40 C ATOM 0 H LEU A 63 18.665 -3.322 -7.093 1.00 0.86 H new ATOM 0 HA LEU A 63 18.347 -1.389 -5.118 1.00 0.84 H new ATOM 0 HB2 LEU A 63 20.621 -2.130 -6.966 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.791 -0.847 -5.785 1.00 0.95 H new ATOM 0 HG LEU A 63 19.697 -3.196 -4.511 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.644 -4.678 -4.771 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.786 -4.436 -6.310 1.00 1.05 H new ATOM 0 HD13 LEU A 63 22.312 -3.576 -5.998 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.669 -2.913 -3.067 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.341 -1.738 -4.224 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.832 -1.369 -3.356 1.00 1.40 H new ATOM 989 N ASP A 64 18.990 -0.138 -8.120 1.00 0.79 N ATOM 990 CA ASP A 64 18.864 1.051 -8.952 1.00 0.82 C ATOM 991 C ASP A 64 17.406 1.299 -9.322 1.00 0.82 C ATOM 992 O ASP A 64 16.958 2.443 -9.388 1.00 0.89 O ATOM 993 CB ASP A 64 19.705 0.902 -10.220 1.00 0.91 C ATOM 994 CG ASP A 64 21.192 0.955 -9.936 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.775 -0.105 -9.622 1.00 2.05 O ATOM 996 OD2 ASP A 64 21.775 2.056 -10.029 1.00 1.99 O ATOM 0 H ASP A 64 19.413 -0.938 -8.590 1.00 0.79 H new ATOM 0 HA ASP A 64 19.228 1.906 -8.382 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.464 -0.045 -10.704 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.443 1.694 -10.921 1.00 0.91 H new ATOM 1001 N VAL A 65 16.670 0.218 -9.562 1.00 0.82 N ATOM 1002 CA VAL A 65 15.264 0.325 -9.928 1.00 0.87 C ATOM 1003 C VAL A 65 14.460 1.023 -8.836 1.00 0.77 C ATOM 1004 O VAL A 65 13.947 2.122 -9.046 1.00 0.82 O ATOM 1005 CB VAL A 65 14.645 -1.056 -10.213 1.00 0.95 C ATOM 1006 CG1 VAL A 65 13.189 -0.915 -10.630 1.00 1.06 C ATOM 1007 CG2 VAL A 65 15.443 -1.787 -11.282 1.00 1.07 C ATOM 0 H VAL A 65 17.023 -0.738 -9.510 1.00 0.82 H new ATOM 0 HA VAL A 65 15.222 0.922 -10.839 1.00 0.87 H new ATOM 0 HB VAL A 65 14.680 -1.645 -9.297 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.770 -1.902 -10.827 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.626 -0.435 -9.830 1.00 1.06 H new ATOM 0 HG13 VAL A 65 13.126 -0.307 -11.533 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.991 -2.761 -11.471 1.00 1.07 H new ATOM 0 HG22 VAL A 65 15.441 -1.202 -12.202 1.00 1.07 H new ATOM 0 HG23 VAL A 65 16.469 -1.923 -10.941 1.00 1.07 H new ATOM 1017 N ASN A 66 14.346 0.386 -7.670 1.00 0.72 N ATOM 1018 CA ASN A 66 13.593 0.970 -6.559 1.00 0.68 C ATOM 1019 C ASN A 66 14.426 1.976 -5.768 1.00 0.57 C ATOM 1020 O ASN A 66 14.379 1.987 -4.538 1.00 0.57 O ATOM 1021 CB ASN A 66 13.060 -0.106 -5.605 1.00 0.82 C ATOM 1022 CG ASN A 66 12.499 -1.318 -6.329 1.00 0.81 C ATOM 1023 OD1 ASN A 66 12.764 -1.535 -7.511 1.00 1.51 O ATOM 1024 ND2 ASN A 66 11.721 -2.120 -5.614 1.00 1.10 N ATOM 0 H ASN A 66 14.760 -0.525 -7.471 1.00 0.72 H new ATOM 0 HA ASN A 66 12.750 1.493 -7.010 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.864 -0.426 -4.942 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.282 0.327 -4.977 1.00 0.82 H new ATOM 0 HD21 ASN A 66 11.317 -2.953 -6.042 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.526 -1.903 -4.636 1.00 1.10 H new ATOM 1031 N GLN A 67 15.171 2.837 -6.462 1.00 0.62 N ATOM 1032 CA GLN A 67 15.980 3.849 -5.801 1.00 0.68 C ATOM 1033 C GLN A 67 15.075 4.630 -4.885 1.00 0.61 C ATOM 1034 O GLN A 67 15.285 4.741 -3.678 1.00 0.66 O ATOM 1035 CB GLN A 67 16.585 4.787 -6.853 1.00 0.88 C ATOM 1036 CG GLN A 67 17.027 6.120 -6.306 1.00 0.74 C ATOM 1037 CD GLN A 67 15.973 7.196 -6.357 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.759 7.830 -7.390 1.00 1.97 O ATOM 1039 NE2 GLN A 67 15.330 7.429 -5.212 1.00 1.36 N ATOM 0 H GLN A 67 15.228 2.850 -7.480 1.00 0.62 H new ATOM 0 HA GLN A 67 16.790 3.388 -5.236 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.440 4.294 -7.315 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.850 4.955 -7.640 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.343 5.987 -5.271 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.900 6.457 -6.865 1.00 0.74 H new ATOM 0 HE21 GLN A 67 15.546 6.874 -4.384 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.623 8.162 -5.164 1.00 1.36 H new ATOM 1048 N ASP A 68 14.063 5.170 -5.521 1.00 0.59 N ATOM 1049 CA ASP A 68 13.023 5.940 -4.862 1.00 0.62 C ATOM 1050 C ASP A 68 12.003 5.029 -4.174 1.00 0.59 C ATOM 1051 O ASP A 68 10.836 5.395 -4.058 1.00 0.66 O ATOM 1052 CB ASP A 68 12.274 6.793 -5.883 1.00 0.74 C ATOM 1053 CG ASP A 68 13.161 7.411 -6.942 1.00 1.00 C ATOM 1054 OD1 ASP A 68 13.475 6.720 -7.934 1.00 1.62 O ATOM 1055 OD2 ASP A 68 13.540 8.591 -6.781 1.00 1.51 O ATOM 0 H ASP A 68 13.932 5.088 -6.529 1.00 0.59 H new ATOM 0 HA ASP A 68 13.511 6.568 -4.116 1.00 0.62 H new ATOM 0 HB2 ASP A 68 11.519 6.177 -6.371 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.745 7.588 -5.358 1.00 0.74 H new ATOM 1060 N SER A 69 12.426 3.859 -3.688 1.00 0.56 N ATOM 1061 CA SER A 69 11.501 2.953 -3.027 1.00 0.59 C ATOM 1062 C SER A 69 10.808 3.673 -1.874 1.00 0.63 C ATOM 1063 O SER A 69 9.788 3.211 -1.370 1.00 0.75 O ATOM 1064 CB SER A 69 12.230 1.693 -2.536 1.00 0.68 C ATOM 1065 OG SER A 69 11.331 0.790 -1.917 1.00 1.75 O ATOM 0 H SER A 69 13.389 3.526 -3.741 1.00 0.56 H new ATOM 0 HA SER A 69 10.743 2.636 -3.743 1.00 0.59 H new ATOM 0 HB2 SER A 69 12.721 1.203 -3.377 1.00 0.68 H new ATOM 0 HB3 SER A 69 13.012 1.974 -1.830 1.00 0.68 H new ATOM 0 HG SER A 69 10.861 0.273 -2.605 1.00 1.75 H new ATOM 1071 N GLU A 70 11.396 4.790 -1.445 1.00 0.64 N ATOM 1072 CA GLU A 70 10.826 5.617 -0.386 1.00 0.76 C ATOM 1073 C GLU A 70 11.053 7.086 -0.682 1.00 0.78 C ATOM 1074 O GLU A 70 11.894 7.460 -1.500 1.00 0.81 O ATOM 1075 CB GLU A 70 11.413 5.290 0.995 1.00 0.85 C ATOM 1076 CG GLU A 70 11.496 6.489 1.947 1.00 1.33 C ATOM 1077 CD GLU A 70 11.950 6.171 3.335 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.636 5.150 3.530 1.00 2.88 O ATOM 1079 OE2 GLU A 70 11.624 6.973 4.233 1.00 2.72 O ATOM 0 H GLU A 70 12.276 5.144 -1.821 1.00 0.64 H new ATOM 0 HA GLU A 70 9.759 5.397 -0.361 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.806 4.513 1.460 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.413 4.876 0.863 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.176 7.225 1.519 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.513 6.957 2.002 1.00 1.33 H new ATOM 1086 N LEU A 71 10.280 7.900 0.004 1.00 0.79 N ATOM 1087 CA LEU A 71 10.383 9.300 -0.100 1.00 0.83 C ATOM 1088 C LEU A 71 10.164 10.004 1.249 1.00 0.81 C ATOM 1089 O LEU A 71 9.367 9.572 2.067 1.00 0.86 O ATOM 1090 CB LEU A 71 9.339 9.708 -1.087 1.00 0.99 C ATOM 1091 CG LEU A 71 9.085 11.167 -1.194 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.242 11.676 -0.036 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.409 11.893 -1.403 1.00 1.26 C ATOM 0 H LEU A 71 9.560 7.582 0.652 1.00 0.79 H new ATOM 0 HA LEU A 71 11.385 9.589 -0.418 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.630 9.336 -2.069 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.404 9.214 -0.823 1.00 0.99 H new ATOM 0 HG LEU A 71 8.475 11.383 -2.071 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.077 12.748 -0.149 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.282 11.160 -0.030 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.761 11.486 0.903 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.228 12.965 -1.482 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.068 11.698 -0.557 1.00 1.26 H new ATOM 0 HD23 LEU A 71 10.879 11.536 -2.319 1.00 1.26 H new ATOM 1105 N ARG A 72 10.921 11.059 1.479 1.00 0.77 N ATOM 1106 CA ARG A 72 10.770 11.904 2.653 1.00 0.79 C ATOM 1107 C ARG A 72 10.192 13.257 2.198 1.00 0.68 C ATOM 1108 O ARG A 72 9.474 13.929 2.937 1.00 0.75 O ATOM 1109 CB ARG A 72 12.119 12.083 3.343 1.00 0.91 C ATOM 1110 CG ARG A 72 12.905 10.794 3.471 1.00 1.00 C ATOM 1111 CD ARG A 72 12.057 9.671 4.026 1.00 1.06 C ATOM 1112 NE ARG A 72 11.327 10.071 5.226 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.835 10.021 6.454 1.00 1.18 C ATOM 1114 NH1 ARG A 72 13.082 9.613 6.648 1.00 1.56 N ATOM 1115 NH2 ARG A 72 11.096 10.386 7.492 1.00 1.42 N ATOM 0 H ARG A 72 11.667 11.359 0.851 1.00 0.77 H new ATOM 0 HA ARG A 72 10.092 11.445 3.373 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.711 12.807 2.784 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.958 12.502 4.336 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.294 10.507 2.494 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.765 10.956 4.121 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.349 9.343 3.265 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.694 8.818 4.258 1.00 1.06 H new ATOM 0 HE ARG A 72 10.371 10.409 5.116 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.657 9.335 5.853 1.00 1.56 H new ATOM 0 HH12 ARG A 72 13.466 9.577 7.592 1.00 1.56 H new ATOM 0 HH21 ARG A 72 10.138 10.705 7.349 1.00 1.42 H new ATOM 0 HH22 ARG A 72 11.485 10.348 8.434 1.00 1.42 H new ATOM 1129 N PHE A 73 10.492 13.602 0.932 1.00 0.60 N ATOM 1130 CA PHE A 73 9.996 14.822 0.279 1.00 0.57 C ATOM 1131 C PHE A 73 8.733 14.538 -0.590 1.00 0.51 C ATOM 1132 O PHE A 73 7.676 14.290 -0.040 1.00 0.63 O ATOM 1133 CB PHE A 73 11.099 15.555 -0.545 1.00 0.64 C ATOM 1134 CG PHE A 73 11.920 14.730 -1.525 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.700 13.677 -1.099 1.00 1.24 C ATOM 1136 CD2 PHE A 73 11.899 15.019 -2.884 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.436 12.920 -1.985 1.00 1.31 C ATOM 1138 CE2 PHE A 73 12.637 14.271 -3.780 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.406 13.218 -3.331 1.00 0.86 C ATOM 0 H PHE A 73 11.091 13.035 0.331 1.00 0.60 H new ATOM 0 HA PHE A 73 9.703 15.500 1.081 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.620 16.359 -1.104 1.00 0.64 H new ATOM 0 HB3 PHE A 73 11.788 16.022 0.159 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.735 13.439 -0.046 1.00 1.24 H new ATOM 0 HD2 PHE A 73 11.297 15.840 -3.245 1.00 1.36 H new ATOM 0 HE1 PHE A 73 14.035 12.096 -1.626 1.00 1.31 H new ATOM 0 HE2 PHE A 73 12.612 14.511 -4.833 1.00 1.44 H new ATOM 0 HZ PHE A 73 13.982 12.630 -4.030 1.00 0.86 H new ATOM 1149 N SER A 74 8.836 14.493 -1.929 1.00 0.48 N ATOM 1150 CA SER A 74 7.639 14.288 -2.765 1.00 0.46 C ATOM 1151 C SER A 74 7.628 12.996 -3.567 1.00 0.42 C ATOM 1152 O SER A 74 6.579 12.579 -4.057 1.00 0.47 O ATOM 1153 CB SER A 74 7.422 15.468 -3.704 1.00 0.60 C ATOM 1154 OG SER A 74 8.635 15.847 -4.333 1.00 1.01 O ATOM 0 H SER A 74 9.710 14.593 -2.446 1.00 0.48 H new ATOM 0 HA SER A 74 6.819 14.209 -2.051 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.683 15.204 -4.461 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.019 16.313 -3.145 1.00 0.60 H new ATOM 0 HG SER A 74 8.470 16.605 -4.932 1.00 1.01 H new ATOM 1160 N GLU A 75 8.762 12.365 -3.721 1.00 0.43 N ATOM 1161 CA GLU A 75 8.831 11.090 -4.442 1.00 0.42 C ATOM 1162 C GLU A 75 8.020 9.930 -3.783 1.00 0.42 C ATOM 1163 O GLU A 75 8.277 8.767 -4.090 1.00 0.55 O ATOM 1164 CB GLU A 75 10.296 10.649 -4.560 1.00 0.44 C ATOM 1165 CG GLU A 75 11.221 11.707 -5.132 1.00 0.60 C ATOM 1166 CD GLU A 75 10.968 11.984 -6.599 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.868 11.014 -7.379 1.00 1.60 O ATOM 1168 OE2 GLU A 75 10.871 13.173 -6.968 1.00 1.42 O ATOM 0 H GLU A 75 9.657 12.700 -3.363 1.00 0.43 H new ATOM 0 HA GLU A 75 8.379 11.277 -5.416 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.658 10.362 -3.573 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.346 9.760 -5.189 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.100 12.631 -4.567 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.255 11.387 -5.001 1.00 0.60 H new ATOM 1175 N TYR A 76 7.046 10.225 -2.889 1.00 0.38 N ATOM 1176 CA TYR A 76 6.280 9.177 -2.235 1.00 0.38 C ATOM 1177 C TYR A 76 5.487 8.408 -3.254 1.00 0.39 C ATOM 1178 O TYR A 76 5.051 7.285 -3.009 1.00 0.43 O ATOM 1179 CB TYR A 76 5.348 9.729 -1.164 1.00 0.40 C ATOM 1180 CG TYR A 76 5.854 9.554 0.238 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.585 8.440 0.615 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.631 10.539 1.177 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.078 8.312 1.884 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.115 10.422 2.458 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.843 9.307 2.811 1.00 0.49 C ATOM 1186 OH TYR A 76 7.335 9.188 4.090 1.00 0.55 O ATOM 0 H TYR A 76 6.786 11.173 -2.617 1.00 0.38 H new ATOM 0 HA TYR A 76 6.991 8.514 -1.742 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.186 10.791 -1.351 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.379 9.238 -1.253 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.769 7.658 -0.107 1.00 1.29 H new ATOM 0 HD2 TYR A 76 5.066 11.417 0.901 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.648 7.437 2.159 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.926 11.199 3.183 1.00 1.25 H new ATOM 0 HH TYR A 76 8.310 9.289 4.076 1.00 0.55 H new ATOM 1196 N TRP A 77 5.328 9.010 -4.422 1.00 0.39 N ATOM 1197 CA TRP A 77 4.607 8.352 -5.496 1.00 0.43 C ATOM 1198 C TRP A 77 5.330 7.072 -5.895 1.00 0.45 C ATOM 1199 O TRP A 77 4.787 6.266 -6.646 1.00 0.49 O ATOM 1200 CB TRP A 77 4.463 9.262 -6.714 1.00 0.44 C ATOM 1201 CG TRP A 77 5.765 9.834 -7.170 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.808 9.150 -7.713 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.164 11.204 -7.116 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.839 10.010 -7.995 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.464 11.280 -7.642 1.00 0.50 C ATOM 1206 CE3 TRP A 77 5.547 12.373 -6.674 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.157 12.483 -7.737 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 6.232 13.566 -6.768 1.00 0.51 C ATOM 1209 CH2 TRP A 77 7.526 13.615 -7.296 1.00 0.55 C ATOM 0 H TRP A 77 5.683 9.939 -4.647 1.00 0.39 H new ATOM 0 HA TRP A 77 3.608 8.114 -5.132 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.014 8.698 -7.531 1.00 0.44 H new ATOM 0 HB3 TRP A 77 3.779 10.076 -6.474 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.822 8.086 -7.895 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.737 9.747 -8.401 1.00 0.52 H new ATOM 0 HE3 TRP A 77 4.548 12.345 -6.264 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.157 12.522 -8.144 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 5.762 14.477 -6.428 1.00 0.51 H new ATOM 0 HH2 TRP A 77 8.037 14.564 -7.357 1.00 0.55 H new ATOM 1220 N ARG A 78 6.567 6.883 -5.411 1.00 0.43 N ATOM 1221 CA ARG A 78 7.309 5.684 -5.731 1.00 0.47 C ATOM 1222 C ARG A 78 6.890 4.579 -4.776 1.00 0.49 C ATOM 1223 O ARG A 78 7.006 3.390 -5.073 1.00 0.61 O ATOM 1224 CB ARG A 78 8.803 5.982 -5.655 1.00 0.50 C ATOM 1225 CG ARG A 78 9.280 6.799 -6.835 1.00 0.60 C ATOM 1226 CD ARG A 78 9.737 5.900 -7.973 1.00 0.77 C ATOM 1227 NE ARG A 78 10.537 6.612 -8.964 1.00 1.48 N ATOM 1228 CZ ARG A 78 11.023 6.040 -10.061 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.777 4.760 -10.309 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.754 6.745 -10.912 1.00 2.82 N ATOM 0 H ARG A 78 7.057 7.542 -4.806 1.00 0.43 H new ATOM 0 HA ARG A 78 7.094 5.349 -6.746 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.019 6.519 -4.731 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.358 5.045 -5.615 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.476 7.448 -7.181 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.101 7.446 -6.526 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.320 5.074 -7.567 1.00 0.77 H new ATOM 0 HD3 ARG A 78 8.864 5.465 -8.460 1.00 0.77 H new ATOM 0 HE ARG A 78 10.734 7.600 -8.807 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.214 4.213 -9.657 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.151 4.323 -11.151 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.945 7.730 -10.726 1.00 2.82 H new ATOM 0 HH22 ARG A 78 12.126 6.303 -11.753 1.00 2.82 H new ATOM 1244 N LEU A 79 6.396 5.010 -3.622 1.00 0.43 N ATOM 1245 CA LEU A 79 5.918 4.140 -2.590 1.00 0.46 C ATOM 1246 C LEU A 79 4.503 3.690 -2.863 1.00 0.47 C ATOM 1247 O LEU A 79 3.976 2.812 -2.180 1.00 0.53 O ATOM 1248 CB LEU A 79 6.006 4.879 -1.277 1.00 0.55 C ATOM 1249 CG LEU A 79 7.437 5.224 -0.909 1.00 0.63 C ATOM 1250 CD1 LEU A 79 7.968 6.390 -1.708 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.578 5.465 0.577 1.00 0.89 C ATOM 0 H LEU A 79 6.321 6.000 -3.386 1.00 0.43 H new ATOM 0 HA LEU A 79 6.532 3.240 -2.554 1.00 0.46 H new ATOM 0 HB2 LEU A 79 5.417 5.794 -1.337 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.567 4.268 -0.488 1.00 0.55 H new ATOM 0 HG LEU A 79 8.048 4.360 -1.168 1.00 0.63 H new ATOM 0 HD11 LEU A 79 8.995 6.599 -1.409 1.00 1.24 H new ATOM 0 HD12 LEU A 79 7.942 6.145 -2.770 1.00 1.24 H new ATOM 0 HD13 LEU A 79 7.351 7.269 -1.523 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.614 5.710 0.809 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.934 6.293 0.874 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.287 4.566 1.121 1.00 0.89 H new ATOM 1263 N ILE A 80 3.881 4.293 -3.862 1.00 0.46 N ATOM 1264 CA ILE A 80 2.536 3.935 -4.202 1.00 0.49 C ATOM 1265 C ILE A 80 2.476 2.453 -4.567 1.00 0.49 C ATOM 1266 O ILE A 80 1.648 1.708 -4.045 1.00 0.51 O ATOM 1267 CB ILE A 80 1.997 4.837 -5.334 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.478 4.738 -5.447 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.643 4.484 -6.651 1.00 0.57 C ATOM 1270 CD1 ILE A 80 -0.126 5.803 -6.339 1.00 1.16 C ATOM 0 H ILE A 80 4.291 5.026 -4.441 1.00 0.46 H new ATOM 0 HA ILE A 80 1.889 4.095 -3.339 1.00 0.49 H new ATOM 0 HB ILE A 80 2.251 5.867 -5.084 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.213 3.755 -5.836 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.040 4.816 -4.452 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.249 5.131 -7.435 1.00 0.57 H new ATOM 0 HG22 ILE A 80 3.722 4.621 -6.575 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.426 3.444 -6.896 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -1.208 5.676 -6.376 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.110 6.789 -5.939 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.285 5.711 -7.344 1.00 1.16 H new ATOM 1282 N GLY A 81 3.372 2.026 -5.452 1.00 0.48 N ATOM 1283 CA GLY A 81 3.437 0.628 -5.831 1.00 0.49 C ATOM 1284 C GLY A 81 4.234 -0.193 -4.838 1.00 0.43 C ATOM 1285 O GLY A 81 4.429 -1.392 -5.034 1.00 0.43 O ATOM 0 H GLY A 81 4.055 2.626 -5.914 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.427 0.225 -5.906 1.00 0.49 H new ATOM 0 HA3 GLY A 81 3.889 0.541 -6.819 1.00 0.49 H new ATOM 1289 N GLU A 82 4.697 0.449 -3.765 1.00 0.41 N ATOM 1290 CA GLU A 82 5.491 -0.246 -2.757 1.00 0.39 C ATOM 1291 C GLU A 82 4.610 -1.026 -1.798 1.00 0.33 C ATOM 1292 O GLU A 82 4.706 -2.248 -1.705 1.00 0.34 O ATOM 1293 CB GLU A 82 6.343 0.738 -1.981 1.00 0.43 C ATOM 1294 CG GLU A 82 7.564 1.228 -2.758 1.00 0.46 C ATOM 1295 CD GLU A 82 8.452 0.098 -3.237 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.270 -0.398 -2.435 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.331 -0.290 -4.419 1.00 1.39 O ATOM 0 H GLU A 82 4.537 1.438 -3.574 1.00 0.41 H new ATOM 0 HA GLU A 82 6.139 -0.951 -3.279 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.731 1.596 -1.702 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.675 0.268 -1.055 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.232 1.811 -3.617 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.146 1.897 -2.125 1.00 0.46 H new ATOM 1304 N LEU A 83 3.746 -0.318 -1.074 1.00 0.34 N ATOM 1305 CA LEU A 83 2.834 -0.967 -0.136 1.00 0.35 C ATOM 1306 C LEU A 83 2.167 -2.160 -0.798 1.00 0.35 C ATOM 1307 O LEU A 83 1.740 -3.104 -0.132 1.00 0.43 O ATOM 1308 CB LEU A 83 1.786 0.025 0.362 1.00 0.43 C ATOM 1309 CG LEU A 83 2.171 0.788 1.629 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.310 2.032 1.786 1.00 1.26 C ATOM 1311 CD2 LEU A 83 2.033 -0.111 2.848 1.00 1.31 C ATOM 0 H LEU A 83 3.658 0.697 -1.118 1.00 0.34 H new ATOM 0 HA LEU A 83 3.406 -1.319 0.722 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.583 0.745 -0.431 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.857 -0.514 0.548 1.00 0.43 H new ATOM 0 HG LEU A 83 3.212 1.100 1.542 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.599 2.562 2.694 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.452 2.684 0.924 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.261 1.743 1.853 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.310 0.445 3.743 1.00 1.31 H new ATOM 0 HD22 LEU A 83 1.000 -0.449 2.936 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.689 -0.975 2.739 1.00 1.31 H new ATOM 1323 N ALA A 84 2.078 -2.103 -2.121 1.00 0.34 N ATOM 1324 CA ALA A 84 1.496 -3.183 -2.886 1.00 0.37 C ATOM 1325 C ALA A 84 2.348 -4.450 -2.797 1.00 0.41 C ATOM 1326 O ALA A 84 1.819 -5.561 -2.764 1.00 0.48 O ATOM 1327 CB ALA A 84 1.340 -2.768 -4.336 1.00 0.42 C ATOM 0 H ALA A 84 2.404 -1.316 -2.682 1.00 0.34 H new ATOM 0 HA ALA A 84 0.516 -3.403 -2.464 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.901 -3.588 -4.904 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.690 -1.895 -4.397 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.317 -2.522 -4.751 1.00 0.42 H new ATOM 1333 N LYS A 85 3.673 -4.277 -2.761 1.00 0.42 N ATOM 1334 CA LYS A 85 4.604 -5.409 -2.659 1.00 0.51 C ATOM 1335 C LYS A 85 4.132 -6.401 -1.610 1.00 0.50 C ATOM 1336 O LYS A 85 4.478 -7.576 -1.649 1.00 0.67 O ATOM 1337 CB LYS A 85 6.013 -4.910 -2.322 1.00 0.62 C ATOM 1338 CG LYS A 85 6.636 -4.068 -3.425 1.00 1.18 C ATOM 1339 CD LYS A 85 7.422 -2.894 -2.864 1.00 1.42 C ATOM 1340 CE LYS A 85 8.696 -3.337 -2.163 1.00 1.55 C ATOM 1341 NZ LYS A 85 8.984 -2.503 -0.963 1.00 2.69 N ATOM 0 H LYS A 85 4.127 -3.364 -2.801 1.00 0.42 H new ATOM 0 HA LYS A 85 4.632 -5.917 -3.623 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.972 -4.322 -1.405 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.656 -5.767 -2.123 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.295 -4.691 -4.029 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.852 -3.698 -4.086 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.674 -2.208 -3.673 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.796 -2.342 -2.162 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.603 -4.382 -1.866 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.534 -3.276 -2.858 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.993 -2.578 -0.722 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.750 -1.510 -1.166 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 8.411 -2.837 -0.162 1.00 2.69 H new ATOM 1355 N GLU A 86 3.379 -5.903 -0.649 1.00 0.45 N ATOM 1356 CA GLU A 86 2.832 -6.730 0.412 1.00 0.45 C ATOM 1357 C GLU A 86 1.538 -7.400 -0.019 1.00 0.44 C ATOM 1358 O GLU A 86 1.370 -8.611 0.133 1.00 0.46 O ATOM 1359 CB GLU A 86 2.595 -5.883 1.656 1.00 0.48 C ATOM 1360 CG GLU A 86 3.624 -4.808 1.831 1.00 0.98 C ATOM 1361 CD GLU A 86 5.032 -5.360 1.911 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.181 -6.543 2.280 1.00 2.91 O ATOM 1363 OE2 GLU A 86 5.983 -4.617 1.592 1.00 2.61 O ATOM 0 H GLU A 86 3.129 -4.917 -0.580 1.00 0.45 H new ATOM 0 HA GLU A 86 3.554 -7.514 0.639 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.607 -5.427 1.597 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.597 -6.528 2.535 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.559 -4.108 0.998 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.406 -4.245 2.739 1.00 0.98 H new ATOM 1370 N VAL A 87 0.627 -6.603 -0.569 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.668 -7.117 -1.000 1.00 0.46 C ATOM 1372 C VAL A 87 -0.576 -7.837 -2.348 1.00 0.47 C ATOM 1373 O VAL A 87 -1.594 -8.259 -2.899 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.754 -6.005 -1.079 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.104 -6.559 -0.657 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.387 -4.800 -0.222 1.00 0.81 C ATOM 0 H VAL A 87 0.761 -5.604 -0.726 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.969 -7.834 -0.236 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.812 -5.670 -2.115 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.855 -5.771 -0.717 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.384 -7.378 -1.319 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.043 -6.925 0.368 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.169 -4.045 -0.303 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.288 -5.110 0.818 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.442 -4.382 -0.568 1.00 0.81 H new ATOM 1386 N ARG A 88 0.640 -7.978 -2.880 1.00 0.50 N ATOM 1387 CA ARG A 88 0.835 -8.659 -4.160 1.00 0.52 C ATOM 1388 C ARG A 88 0.835 -10.180 -3.992 1.00 0.50 C ATOM 1389 O ARG A 88 0.089 -10.883 -4.672 1.00 0.59 O ATOM 1390 CB ARG A 88 2.137 -8.189 -4.813 1.00 0.56 C ATOM 1391 CG ARG A 88 2.239 -8.513 -6.296 1.00 0.67 C ATOM 1392 CD ARG A 88 2.409 -10.003 -6.540 1.00 1.33 C ATOM 1393 NE ARG A 88 2.775 -10.290 -7.924 1.00 1.83 N ATOM 1394 CZ ARG A 88 2.780 -11.512 -8.448 1.00 2.72 C ATOM 1395 NH1 ARG A 88 2.431 -12.555 -7.708 1.00 3.25 N ATOM 1396 NH2 ARG A 88 3.132 -11.692 -9.714 1.00 3.50 N ATOM 0 H ARG A 88 1.497 -7.633 -2.448 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.001 -8.401 -4.810 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.229 -7.111 -4.680 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.978 -8.647 -4.293 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.343 -8.161 -6.807 1.00 0.67 H new ATOM 0 HG3 ARG A 88 3.083 -7.976 -6.728 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.177 -10.395 -5.873 1.00 1.33 H new ATOM 0 HD3 ARG A 88 1.481 -10.519 -6.296 1.00 1.33 H new ATOM 0 HE ARG A 88 3.042 -9.509 -8.523 1.00 1.83 H new ATOM 0 HH11 ARG A 88 2.158 -12.421 -6.734 1.00 3.25 H new ATOM 0 HH12 ARG A 88 2.436 -13.491 -8.112 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.400 -10.892 -10.288 1.00 3.50 H new ATOM 0 HH22 ARG A 88 3.135 -12.630 -10.114 1.00 3.50 H new ATOM 1410 N LYS A 89 1.672 -10.683 -3.090 1.00 0.47 N ATOM 1411 CA LYS A 89 1.744 -12.117 -2.828 1.00 0.49 C ATOM 1412 C LYS A 89 0.607 -12.490 -1.910 1.00 0.49 C ATOM 1413 O LYS A 89 0.045 -13.582 -1.990 1.00 0.55 O ATOM 1414 CB LYS A 89 3.070 -12.508 -2.181 1.00 0.56 C ATOM 1415 CG LYS A 89 3.472 -11.612 -1.022 1.00 0.70 C ATOM 1416 CD LYS A 89 4.720 -10.804 -1.340 1.00 1.55 C ATOM 1417 CE LYS A 89 4.633 -10.073 -2.678 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.911 -9.394 -3.018 1.00 3.29 N ATOM 0 H LYS A 89 2.310 -10.119 -2.528 1.00 0.47 H new ATOM 0 HA LYS A 89 1.671 -12.650 -3.776 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.002 -13.537 -1.827 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.855 -12.483 -2.937 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.651 -10.935 -0.784 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.649 -12.221 -0.136 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.888 -10.077 -0.545 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.584 -11.469 -1.351 1.00 1.55 H new ATOM 0 HE2 LYS A 89 4.378 -10.783 -3.465 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.829 -9.338 -2.639 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.762 -8.760 -3.829 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.238 -8.840 -2.201 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 6.628 -10.106 -3.262 1.00 3.29 H new ATOM 1432 N GLU A 90 0.278 -11.552 -1.032 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.806 -11.727 -0.102 1.00 0.52 C ATOM 1434 C GLU A 90 -2.113 -11.913 -0.867 1.00 0.55 C ATOM 1435 O GLU A 90 -3.116 -12.347 -0.302 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.871 -10.526 0.841 1.00 0.55 C ATOM 1437 CG GLU A 90 0.265 -10.498 1.850 1.00 0.62 C ATOM 1438 CD GLU A 90 0.186 -9.311 2.789 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.471 -8.180 2.342 1.00 1.95 O ATOM 1440 OE2 GLU A 90 -0.156 -9.513 3.973 1.00 1.97 O ATOM 0 H GLU A 90 0.758 -10.656 -0.952 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.640 -12.620 0.501 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.849 -9.608 0.253 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.822 -10.541 1.374 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.250 -11.419 2.433 1.00 0.62 H new ATOM 0 HG3 GLU A 90 1.216 -10.473 1.319 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.099 -11.574 -2.164 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.274 -11.740 -2.998 1.00 0.61 C ATOM 1449 C LYS A 91 -3.753 -13.184 -2.942 1.00 0.63 C ATOM 1450 O LYS A 91 -4.896 -13.452 -2.607 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.993 -11.289 -4.437 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.241 -12.299 -5.289 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.953 -11.753 -6.677 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.088 -12.706 -7.484 1.00 0.70 C ATOM 1455 NZ LYS A 91 -0.785 -12.167 -8.838 1.00 1.38 N ATOM 0 H LYS A 91 -1.288 -11.187 -2.646 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.072 -11.105 -2.614 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.942 -11.061 -4.923 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.419 -10.363 -4.407 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.304 -12.563 -4.799 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.827 -13.215 -5.371 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.892 -11.579 -7.202 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.452 -10.789 -6.593 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.156 -12.891 -6.950 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.597 -13.665 -7.580 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.193 -12.846 -9.357 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.673 -12.014 -9.357 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.277 -11.264 -8.747 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.861 -14.108 -3.253 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.181 -15.532 -3.223 1.00 0.66 C ATOM 1471 C ALA A 92 -3.112 -16.100 -1.809 1.00 0.64 C ATOM 1472 O ALA A 92 -3.763 -17.099 -1.508 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.248 -16.299 -4.147 1.00 0.75 C ATOM 0 H ALA A 92 -1.902 -13.900 -3.531 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.207 -15.647 -3.572 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.496 -17.360 -4.116 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.361 -15.929 -5.166 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.217 -16.158 -3.822 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.323 -15.472 -0.942 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.193 -15.945 0.435 1.00 0.66 C ATOM 1481 C LEU A 93 -3.382 -15.514 1.283 1.00 0.59 C ATOM 1482 O LEU A 93 -3.770 -16.213 2.219 1.00 0.64 O ATOM 1483 CB LEU A 93 -0.899 -15.445 1.078 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.545 -16.166 2.379 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.963 -16.307 2.518 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.121 -15.418 3.571 1.00 0.95 C ATOM 0 H LEU A 93 -1.770 -14.644 -1.163 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.166 -17.034 0.394 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.080 -15.568 0.370 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -0.991 -14.377 1.277 1.00 0.75 H new ATOM 0 HG LEU A 93 -0.982 -17.164 2.351 1.00 0.82 H new ATOM 0 HD11 LEU A 93 1.196 -16.822 3.450 1.00 1.03 H new ATOM 0 HD12 LEU A 93 1.354 -16.881 1.678 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.422 -15.318 2.526 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.861 -15.943 4.490 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.710 -14.409 3.601 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.206 -15.365 3.478 1.00 0.95 H new ATOM 1498 N GLY A 94 -3.962 -14.365 0.952 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.107 -13.865 1.698 1.00 0.52 C ATOM 1500 C GLY A 94 -6.116 -14.928 1.996 1.00 0.52 C ATOM 1501 O GLY A 94 -6.812 -14.870 3.008 1.00 0.57 O ATOM 0 H GLY A 94 -3.661 -13.769 0.181 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.761 -13.427 2.634 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.584 -13.067 1.129 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.209 -15.885 1.095 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.151 -16.969 1.242 1.00 0.57 C ATOM 1507 C ILE A 95 -6.762 -17.863 2.405 1.00 0.61 C ATOM 1508 O ILE A 95 -6.453 -19.039 2.225 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.231 -17.796 -0.043 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -8.289 -18.895 0.085 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -5.866 -18.363 -0.351 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -9.689 -18.421 -0.240 1.00 1.68 C ATOM 0 H ILE A 95 -5.639 -15.931 0.250 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.131 -16.536 1.442 1.00 0.57 H new ATOM 0 HB ILE A 95 -7.537 -17.158 -0.872 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -8.029 -19.719 -0.579 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -8.273 -19.288 1.102 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -5.915 -18.954 -1.266 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -5.155 -17.548 -0.483 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -5.541 -18.997 0.474 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -10.389 -19.250 -0.129 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -9.968 -17.617 0.441 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -9.720 -18.055 -1.266 1.00 1.68 H new ATOM 1524 N ARG A 96 -6.763 -17.292 3.600 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.431 -18.046 4.790 1.00 0.74 C ATOM 1526 C ARG A 96 -7.467 -19.143 4.967 1.00 0.82 C ATOM 1527 O ARG A 96 -7.198 -20.194 5.549 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.399 -17.124 6.006 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.480 -17.608 7.112 1.00 1.65 C ATOM 1530 CD ARG A 96 -4.037 -17.222 6.833 1.00 2.45 C ATOM 1531 NE ARG A 96 -3.846 -15.775 6.870 1.00 2.91 N ATOM 1532 CZ ARG A 96 -2.655 -15.186 6.849 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -1.552 -15.920 6.780 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -2.565 -13.864 6.895 1.00 4.48 N ATOM 0 H ARG A 96 -6.990 -16.312 3.767 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.442 -18.493 4.689 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.081 -16.131 5.690 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -7.409 -17.024 6.402 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -5.796 -17.182 8.064 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -5.558 -18.691 7.206 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -3.386 -17.694 7.569 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -3.741 -17.603 5.855 1.00 2.45 H new ATOM 0 HE ARG A 96 -4.675 -15.182 6.915 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -1.618 -16.937 6.743 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -0.638 -15.467 6.764 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -3.411 -13.297 6.947 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -1.650 -13.414 6.879 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.664 -18.875 4.449 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.753 -19.824 4.491 1.00 0.95 C ATOM 1550 C LYS A 97 -9.738 -20.664 3.220 1.00 0.94 C ATOM 1551 O LYS A 97 -10.463 -20.382 2.266 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.084 -19.077 4.623 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.364 -18.097 3.483 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.114 -16.878 3.970 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.290 -15.616 3.760 1.00 1.85 C ATOM 1556 NZ LYS A 97 -10.190 -15.504 4.757 1.00 2.92 N ATOM 0 H LYS A 97 -8.897 -17.994 3.991 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.636 -20.481 5.353 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.894 -19.805 4.670 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.091 -18.532 5.567 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.423 -17.788 3.028 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -11.944 -18.596 2.707 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.061 -16.792 3.438 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -12.352 -16.990 5.028 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.870 -15.619 2.754 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.938 -14.742 3.833 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.455 -14.864 4.393 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -10.567 -15.126 5.649 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -9.778 -16.444 4.926 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.897 -21.695 3.214 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.773 -22.574 2.058 1.00 1.06 C ATOM 1572 C LYS A 98 -9.497 -23.895 2.299 1.00 1.22 C ATOM 1573 O LYS A 98 -8.845 -24.847 2.777 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.294 -22.837 1.739 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.495 -21.578 1.422 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.466 -21.831 0.333 1.00 1.51 C ATOM 1577 CE LYS A 98 -6.102 -21.809 -1.047 1.00 2.00 C ATOM 1578 NZ LYS A 98 -5.111 -22.096 -2.121 1.00 2.74 N ATOM 1579 OXT LYS A 98 -10.710 -23.966 2.008 1.00 1.70 O ATOM 0 H LYS A 98 -8.292 -21.941 3.997 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.236 -22.076 1.206 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.834 -23.343 2.588 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.231 -23.518 0.890 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.173 -20.785 1.106 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -5.993 -21.228 2.324 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.684 -21.074 0.387 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -4.988 -22.796 0.499 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -6.905 -22.545 -1.088 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -6.555 -20.833 -1.222 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -5.585 -22.072 -3.046 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -4.358 -21.379 -2.099 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -4.697 -23.038 -1.969 1.00 2.74 H new ATOM 1594 N MET B 1 18.965 -4.739 -2.238 1.00 0.65 N ATOM 1595 CA MET B 1 18.258 -6.009 -2.488 1.00 0.59 C ATOM 1596 C MET B 1 17.005 -5.779 -3.311 1.00 0.59 C ATOM 1597 O MET B 1 16.731 -4.660 -3.746 1.00 0.60 O ATOM 1598 CB MET B 1 17.877 -6.682 -1.174 1.00 0.58 C ATOM 1599 CG MET B 1 18.901 -7.678 -0.633 1.00 0.60 C ATOM 1600 SD MET B 1 20.623 -7.203 -0.923 1.00 0.94 S ATOM 1601 CE MET B 1 21.460 -8.767 -0.677 1.00 1.18 C ATOM 0 H1 MET B 1 19.976 -4.929 -2.085 1.00 0.65 H new ATOM 0 H2 MET B 1 18.851 -4.111 -3.059 1.00 0.65 H new ATOM 0 H3 MET B 1 18.567 -4.281 -1.393 1.00 0.65 H new ATOM 0 HA MET B 1 18.936 -6.658 -3.043 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.713 -5.909 -0.423 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.928 -7.200 -1.311 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.744 -7.797 0.439 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.722 -8.651 -1.091 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.041 -8.728 0.245 1.00 1.18 H new ATOM 0 HE2 MET B 1 20.723 -9.567 -0.608 1.00 1.18 H new ATOM 0 HE3 MET B 1 22.126 -8.959 -1.518 1.00 1.18 H new ATOM 1613 N ALA B 2 16.250 -6.844 -3.523 1.00 0.61 N ATOM 1614 CA ALA B 2 15.026 -6.750 -4.297 1.00 0.64 C ATOM 1615 C ALA B 2 13.785 -6.955 -3.434 1.00 0.62 C ATOM 1616 O ALA B 2 13.844 -7.570 -2.370 1.00 0.71 O ATOM 1617 CB ALA B 2 15.042 -7.750 -5.445 1.00 0.72 C ATOM 0 H ALA B 2 16.462 -7.778 -3.172 1.00 0.61 H new ATOM 0 HA ALA B 2 14.978 -5.740 -4.704 1.00 0.64 H new ATOM 0 HB1 ALA B 2 14.116 -7.665 -6.014 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.890 -7.541 -6.098 1.00 0.72 H new ATOM 0 HB3 ALA B 2 15.131 -8.760 -5.046 1.00 0.72 H new ATOM 1623 N ALA B 3 12.663 -6.422 -3.904 1.00 0.73 N ATOM 1624 CA ALA B 3 11.392 -6.563 -3.211 1.00 0.75 C ATOM 1625 C ALA B 3 10.753 -7.875 -3.632 1.00 0.65 C ATOM 1626 O ALA B 3 9.815 -7.898 -4.429 1.00 0.81 O ATOM 1627 CB ALA B 3 10.479 -5.401 -3.556 1.00 1.04 C ATOM 0 H ALA B 3 12.610 -5.884 -4.769 1.00 0.73 H new ATOM 0 HA ALA B 3 11.555 -6.562 -2.133 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.530 -5.516 -3.032 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.950 -4.466 -3.253 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.300 -5.385 -4.631 1.00 1.04 H new ATOM 1633 N GLU B 4 11.275 -8.966 -3.098 1.00 0.62 N ATOM 1634 CA GLU B 4 10.775 -10.289 -3.440 1.00 0.75 C ATOM 1635 C GLU B 4 9.377 -10.518 -2.884 1.00 0.74 C ATOM 1636 O GLU B 4 8.388 -10.203 -3.546 1.00 0.86 O ATOM 1637 CB GLU B 4 11.730 -11.388 -2.964 1.00 0.97 C ATOM 1638 CG GLU B 4 12.484 -11.054 -1.689 1.00 1.45 C ATOM 1639 CD GLU B 4 12.993 -12.287 -0.977 1.00 2.42 C ATOM 1640 OE1 GLU B 4 12.157 -13.070 -0.480 1.00 3.20 O ATOM 1641 OE2 GLU B 4 14.227 -12.469 -0.916 1.00 3.02 O ATOM 0 H GLU B 4 12.043 -8.963 -2.427 1.00 0.62 H new ATOM 0 HA GLU B 4 10.717 -10.338 -4.527 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.161 -12.304 -2.806 1.00 0.97 H new ATOM 0 HB3 GLU B 4 12.451 -11.594 -3.755 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.325 -10.403 -1.928 1.00 1.45 H new ATOM 0 HG3 GLU B 4 11.830 -10.496 -1.019 1.00 1.45 H new ATOM 1648 N THR B 5 9.281 -11.063 -1.676 1.00 0.70 N ATOM 1649 CA THR B 5 7.980 -11.328 -1.094 1.00 0.75 C ATOM 1650 C THR B 5 7.371 -10.105 -0.366 1.00 0.62 C ATOM 1651 O THR B 5 7.287 -9.023 -0.947 1.00 0.79 O ATOM 1652 CB THR B 5 8.039 -12.555 -0.176 1.00 0.92 C ATOM 1653 OG1 THR B 5 8.823 -13.575 -0.799 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.636 -13.075 0.101 1.00 1.08 C ATOM 0 H THR B 5 10.076 -11.324 -1.093 1.00 0.70 H new ATOM 0 HA THR B 5 7.306 -11.543 -1.923 1.00 0.75 H new ATOM 0 HB THR B 5 8.497 -12.271 0.772 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.526 -13.870 -0.183 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.693 -13.946 0.754 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.048 -12.296 0.586 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.160 -13.356 -0.838 1.00 1.08 H new ATOM 1662 N LEU B 6 6.962 -10.264 0.905 1.00 0.54 N ATOM 1663 CA LEU B 6 6.317 -9.193 1.649 1.00 0.50 C ATOM 1664 C LEU B 6 7.332 -8.279 2.306 1.00 0.49 C ATOM 1665 O LEU B 6 7.877 -8.601 3.358 1.00 0.56 O ATOM 1666 CB LEU B 6 5.414 -9.794 2.727 1.00 0.60 C ATOM 1667 CG LEU B 6 4.422 -10.851 2.242 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.930 -12.249 2.561 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.058 -10.624 2.875 1.00 1.07 C ATOM 0 H LEU B 6 7.072 -11.131 1.431 1.00 0.54 H new ATOM 0 HA LEU B 6 5.730 -8.602 0.945 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.044 -10.239 3.497 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.855 -8.986 3.200 1.00 0.60 H new ATOM 0 HG LEU B 6 4.323 -10.761 1.160 1.00 0.75 H new ATOM 0 HD11 LEU B 6 4.210 -12.987 2.208 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.887 -12.410 2.065 1.00 1.15 H new ATOM 0 HD13 LEU B 6 5.057 -12.353 3.639 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.361 -11.384 2.521 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.145 -10.689 3.960 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.689 -9.636 2.599 1.00 1.07 H new ATOM 1681 N THR B 7 7.571 -7.121 1.716 1.00 0.50 N ATOM 1682 CA THR B 7 8.534 -6.204 2.293 1.00 0.53 C ATOM 1683 C THR B 7 7.998 -5.694 3.611 1.00 0.48 C ATOM 1684 O THR B 7 6.813 -5.817 3.892 1.00 0.55 O ATOM 1685 CB THR B 7 8.852 -5.012 1.358 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.005 -5.053 0.206 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.319 -5.013 0.919 1.00 0.80 C ATOM 0 H THR B 7 7.123 -6.800 0.858 1.00 0.50 H new ATOM 0 HA THR B 7 9.467 -6.748 2.442 1.00 0.53 H new ATOM 0 HB THR B 7 8.668 -4.095 1.918 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.153 -4.614 0.411 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.503 -4.162 0.264 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.961 -4.941 1.797 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.538 -5.937 0.384 1.00 0.80 H new ATOM 1695 N GLU B 8 8.875 -5.124 4.416 1.00 0.46 N ATOM 1696 CA GLU B 8 8.503 -4.611 5.735 1.00 0.45 C ATOM 1697 C GLU B 8 7.135 -3.925 5.717 1.00 0.41 C ATOM 1698 O GLU B 8 6.427 -3.898 6.723 1.00 0.42 O ATOM 1699 CB GLU B 8 9.558 -3.628 6.235 1.00 0.50 C ATOM 1700 CG GLU B 8 10.993 -4.082 5.989 1.00 0.52 C ATOM 1701 CD GLU B 8 11.279 -5.453 6.572 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.075 -6.456 5.857 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.707 -5.523 7.744 1.00 1.67 O ATOM 0 H GLU B 8 9.860 -5.001 4.183 1.00 0.46 H new ATOM 0 HA GLU B 8 8.444 -5.465 6.409 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.403 -2.665 5.747 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.416 -3.470 7.304 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.186 -4.100 4.916 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.680 -3.356 6.424 1.00 0.52 H new ATOM 1710 N LEU B 9 6.778 -3.373 4.564 1.00 0.41 N ATOM 1711 CA LEU B 9 5.497 -2.694 4.404 1.00 0.40 C ATOM 1712 C LEU B 9 4.323 -3.611 4.737 1.00 0.38 C ATOM 1713 O LEU B 9 3.251 -3.135 5.110 1.00 0.40 O ATOM 1714 CB LEU B 9 5.354 -2.152 2.975 1.00 0.46 C ATOM 1715 CG LEU B 9 6.651 -1.734 2.270 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.336 -0.841 1.083 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.615 -1.033 3.221 1.00 0.93 C ATOM 0 H LEU B 9 7.358 -3.382 3.725 1.00 0.41 H new ATOM 0 HA LEU B 9 5.478 -1.862 5.108 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.866 -2.914 2.368 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.687 -1.290 3.002 1.00 0.46 H new ATOM 0 HG LEU B 9 7.143 -2.641 1.918 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.264 -0.550 0.590 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.705 -1.382 0.378 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.813 0.051 1.428 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.520 -0.754 2.681 1.00 0.93 H new ATOM 0 HD22 LEU B 9 7.142 -0.137 3.624 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.873 -1.706 4.039 1.00 0.93 H new ATOM 1729 N GLU B 10 4.516 -4.924 4.607 1.00 0.38 N ATOM 1730 CA GLU B 10 3.444 -5.868 4.910 1.00 0.39 C ATOM 1731 C GLU B 10 2.984 -5.663 6.339 1.00 0.38 C ATOM 1732 O GLU B 10 1.799 -5.782 6.646 1.00 0.40 O ATOM 1733 CB GLU B 10 3.888 -7.313 4.695 1.00 0.45 C ATOM 1734 CG GLU B 10 5.306 -7.593 5.152 1.00 0.45 C ATOM 1735 CD GLU B 10 5.392 -8.773 6.102 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.240 -8.562 7.324 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.610 -9.905 5.624 1.00 1.26 O ATOM 0 H GLU B 10 5.390 -5.351 4.299 1.00 0.38 H new ATOM 0 HA GLU B 10 2.616 -5.679 4.227 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.207 -7.976 5.229 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.803 -7.555 3.636 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.933 -7.786 4.281 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.707 -6.706 5.643 1.00 0.45 H new ATOM 1744 N ALA B 11 3.932 -5.347 7.214 1.00 0.39 N ATOM 1745 CA ALA B 11 3.615 -5.089 8.608 1.00 0.39 C ATOM 1746 C ALA B 11 2.561 -4.005 8.690 1.00 0.36 C ATOM 1747 O ALA B 11 1.803 -3.934 9.649 1.00 0.39 O ATOM 1748 CB ALA B 11 4.860 -4.682 9.378 1.00 0.42 C ATOM 0 H ALA B 11 4.922 -5.264 6.981 1.00 0.39 H new ATOM 0 HA ALA B 11 3.228 -6.002 9.060 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.599 -4.494 10.419 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.597 -5.484 9.328 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.279 -3.776 8.940 1.00 0.42 H new ATOM 1754 N ALA B 12 2.533 -3.150 7.673 1.00 0.33 N ATOM 1755 CA ALA B 12 1.554 -2.080 7.608 1.00 0.32 C ATOM 1756 C ALA B 12 0.226 -2.613 7.100 1.00 0.33 C ATOM 1757 O ALA B 12 -0.835 -2.076 7.421 1.00 0.34 O ATOM 1758 CB ALA B 12 2.050 -0.956 6.718 1.00 0.34 C ATOM 0 H ALA B 12 3.179 -3.180 6.884 1.00 0.33 H new ATOM 0 HA ALA B 12 1.409 -1.682 8.612 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.302 -0.164 6.682 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.982 -0.558 7.120 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.223 -1.338 5.712 1.00 0.34 H new ATOM 1764 N ILE B 13 0.289 -3.677 6.302 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.915 -4.291 5.764 1.00 0.40 C ATOM 1766 C ILE B 13 -1.894 -4.591 6.904 1.00 0.39 C ATOM 1767 O ILE B 13 -3.104 -4.664 6.700 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.581 -5.579 4.950 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.558 -5.734 3.780 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.584 -6.840 5.818 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.003 -5.866 4.208 1.00 2.05 C ATOM 0 H ILE B 13 1.159 -4.128 6.017 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.385 -3.591 5.073 1.00 0.40 H new ATOM 0 HB ILE B 13 0.432 -5.461 4.564 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.461 -4.872 3.120 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.279 -6.613 3.199 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.346 -7.707 5.201 1.00 0.99 H new ATOM 0 HG22 ILE B 13 0.161 -6.740 6.607 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.570 -6.972 6.264 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.635 -5.972 3.327 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.116 -6.745 4.843 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.301 -4.977 4.763 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.337 -4.758 8.106 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.118 -5.041 9.302 1.00 0.42 C ATOM 1785 C GLU B 14 -3.053 -3.883 9.638 1.00 0.38 C ATOM 1786 O GLU B 14 -4.224 -4.088 9.959 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.170 -5.306 10.480 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.627 -4.044 11.139 1.00 0.79 C ATOM 1789 CD GLU B 14 0.350 -4.343 12.261 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.549 -4.542 11.972 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -0.085 -4.380 13.431 1.00 2.02 O ATOM 0 H GLU B 14 -0.332 -4.700 8.272 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.730 -5.923 9.114 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -1.696 -5.897 11.230 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -0.332 -5.909 10.130 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.133 -3.430 10.386 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -1.458 -3.458 11.533 1.00 0.79 H new ATOM 1798 N THR B 15 -2.524 -2.664 9.579 1.00 0.30 N ATOM 1799 CA THR B 15 -3.305 -1.493 9.886 1.00 0.28 C ATOM 1800 C THR B 15 -4.417 -1.320 8.868 1.00 0.28 C ATOM 1801 O THR B 15 -5.601 -1.320 9.200 1.00 0.34 O ATOM 1802 CB THR B 15 -2.435 -0.225 9.891 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.383 -0.349 10.856 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.272 1.008 10.199 1.00 0.32 C ATOM 0 H THR B 15 -1.556 -2.472 9.320 1.00 0.30 H new ATOM 0 HA THR B 15 -3.728 -1.635 10.880 1.00 0.28 H new ATOM 0 HB THR B 15 -2.001 -0.110 8.898 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.106 0.542 11.154 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.633 1.891 10.197 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.048 1.119 9.442 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.735 0.898 11.180 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.006 -1.195 7.620 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.925 -1.009 6.509 1.00 0.28 C ATOM 1814 C VAL B 16 -6.019 -2.063 6.495 1.00 0.30 C ATOM 1815 O VAL B 16 -7.196 -1.743 6.322 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.165 -1.060 5.176 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.479 -2.404 5.009 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.108 -0.794 4.020 1.00 0.33 C ATOM 0 H VAL B 16 -3.024 -1.219 7.346 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.390 -0.032 6.638 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.401 -0.283 5.181 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.945 -2.424 4.059 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.773 -2.556 5.826 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.226 -3.198 5.022 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.554 -0.834 3.082 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.893 -1.550 4.010 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.556 0.193 4.135 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.637 -3.317 6.677 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.606 -4.396 6.671 1.00 0.33 C ATOM 1830 C VAL B 17 -7.598 -4.232 7.815 1.00 0.30 C ATOM 1831 O VAL B 17 -8.779 -4.552 7.683 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.936 -5.782 6.764 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.313 -6.003 8.135 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.940 -6.879 6.446 1.00 0.50 C ATOM 0 H VAL B 17 -4.672 -3.609 6.829 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.133 -4.341 5.718 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.135 -5.820 6.026 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.849 -6.989 8.169 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.557 -5.239 8.319 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.086 -5.940 8.901 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.451 -7.851 6.516 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.764 -6.835 7.158 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.325 -6.738 5.436 1.00 0.50 H new ATOM 1844 N SER B 18 -7.101 -3.728 8.939 1.00 0.33 N ATOM 1845 CA SER B 18 -7.930 -3.521 10.118 1.00 0.40 C ATOM 1846 C SER B 18 -8.731 -2.220 10.038 1.00 0.44 C ATOM 1847 O SER B 18 -9.681 -2.023 10.792 1.00 0.59 O ATOM 1848 CB SER B 18 -7.063 -3.523 11.377 1.00 0.51 C ATOM 1849 OG SER B 18 -7.850 -3.328 12.539 1.00 1.32 O ATOM 0 H SER B 18 -6.125 -3.455 9.057 1.00 0.33 H new ATOM 0 HA SER B 18 -8.643 -4.344 10.163 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.527 -4.469 11.452 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.312 -2.736 11.306 1.00 0.51 H new ATOM 0 HG SER B 18 -8.638 -2.791 12.314 1.00 1.32 H new ATOM 1855 N THR B 19 -8.332 -1.317 9.155 1.00 0.37 N ATOM 1856 CA THR B 19 -9.044 -0.049 9.015 1.00 0.45 C ATOM 1857 C THR B 19 -10.268 -0.143 8.106 1.00 0.46 C ATOM 1858 O THR B 19 -11.379 -0.409 8.566 1.00 0.53 O ATOM 1859 CB THR B 19 -8.127 1.091 8.520 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.513 0.741 7.272 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.058 1.413 9.552 1.00 0.49 C ATOM 0 H THR B 19 -7.532 -1.432 8.532 1.00 0.37 H new ATOM 0 HA THR B 19 -9.388 0.186 10.022 1.00 0.45 H new ATOM 0 HB THR B 19 -8.745 1.977 8.372 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.551 -0.231 7.150 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.425 2.219 9.181 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.533 1.724 10.483 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.449 0.527 9.734 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.056 0.083 6.813 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.133 0.078 5.835 1.00 0.53 C ATOM 1871 C PHE B 20 -11.494 -1.318 5.397 1.00 0.53 C ATOM 1872 O PHE B 20 -12.647 -1.596 5.078 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.702 0.953 4.661 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.365 0.683 3.344 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.699 0.972 3.134 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.624 0.164 2.306 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.278 0.743 1.901 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -11.191 -0.073 1.077 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.519 0.216 0.871 1.00 1.18 C ATOM 0 H PHE B 20 -9.136 0.274 6.417 1.00 0.45 H new ATOM 0 HA PHE B 20 -12.040 0.483 6.284 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.884 1.994 4.927 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.626 0.841 4.530 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.293 1.379 3.939 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.579 -0.061 2.460 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.321 0.975 1.741 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.595 -0.485 0.276 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.969 0.032 -0.093 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.523 -2.198 5.369 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.806 -3.538 4.967 1.00 0.47 C ATOM 1891 C PHE B 21 -11.622 -4.266 6.033 1.00 0.49 C ATOM 1892 O PHE B 21 -12.038 -5.396 5.850 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.525 -4.303 4.610 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.660 -3.643 3.565 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.127 -2.585 2.798 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.357 -4.080 3.362 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.311 -1.991 1.851 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.545 -3.485 2.425 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.021 -2.441 1.665 1.00 0.53 C ATOM 0 H PHE B 21 -9.552 -2.009 5.616 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.411 -3.494 4.061 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.935 -4.437 5.517 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.799 -5.297 4.258 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.134 -2.223 2.941 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -6.975 -4.901 3.950 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.686 -1.172 1.255 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.534 -3.837 2.286 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.386 -1.976 0.925 1.00 0.53 H new ATOM 1909 N THR B 22 -11.848 -3.639 7.169 1.00 0.48 N ATOM 1910 CA THR B 22 -12.688 -4.268 8.170 1.00 0.54 C ATOM 1911 C THR B 22 -14.161 -4.070 7.818 1.00 0.48 C ATOM 1912 O THR B 22 -15.048 -4.534 8.534 1.00 0.53 O ATOM 1913 CB THR B 22 -12.409 -3.735 9.573 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.485 -2.309 9.576 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.039 -4.196 10.021 1.00 0.81 C ATOM 0 H THR B 22 -11.476 -2.723 7.419 1.00 0.48 H new ATOM 0 HA THR B 22 -12.452 -5.332 8.172 1.00 0.54 H new ATOM 0 HB THR B 22 -13.157 -4.120 10.267 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.667 -1.937 9.186 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.837 -3.817 11.023 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.007 -5.285 10.032 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.284 -3.818 9.331 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.414 -3.373 6.703 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.763 -3.119 6.245 1.00 0.51 C ATOM 1925 C PHE B 23 -16.290 -4.332 5.481 1.00 0.44 C ATOM 1926 O PHE B 23 -17.497 -4.541 5.378 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.767 -1.791 5.462 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.218 -1.790 4.028 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.431 -2.329 3.624 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.428 -1.163 3.084 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.830 -2.253 2.308 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.826 -1.074 1.774 1.00 1.93 C ATOM 1933 CZ PHE B 23 -17.028 -1.623 1.383 1.00 1.83 C ATOM 0 H PHE B 23 -13.688 -2.977 6.106 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.462 -2.990 7.072 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.400 -1.090 6.006 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.753 -1.391 5.488 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.069 -2.813 4.349 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.482 -0.736 3.382 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.771 -2.687 2.002 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -15.198 -0.575 1.051 1.00 1.93 H new ATOM 0 HZ PHE B 23 -17.341 -1.559 0.351 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.373 -5.172 4.993 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.767 -6.402 4.296 1.00 0.59 C ATOM 1945 C ALA B 24 -16.756 -7.178 5.137 1.00 0.61 C ATOM 1946 O ALA B 24 -17.696 -7.777 4.614 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.552 -7.263 3.982 1.00 0.71 C ATOM 0 H ALA B 24 -14.366 -5.027 5.065 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.239 -6.127 3.353 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.871 -8.168 3.466 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.865 -6.705 3.345 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.048 -7.533 4.910 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.528 -7.174 6.448 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.442 -7.835 7.372 1.00 0.85 C ATOM 1955 C GLY B 25 -18.900 -7.642 6.975 1.00 0.74 C ATOM 1956 O GLY B 25 -19.749 -8.485 7.264 1.00 0.82 O ATOM 0 H GLY B 25 -15.726 -6.725 6.890 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.214 -8.900 7.406 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.286 -7.444 8.377 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.182 -6.516 6.312 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.526 -6.214 5.830 1.00 0.59 C ATOM 1962 C ARG B 26 -21.037 -7.334 4.963 1.00 0.58 C ATOM 1963 O ARG B 26 -22.136 -7.850 5.163 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.523 -4.920 5.015 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.901 -4.530 4.504 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.137 -3.031 4.600 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.468 -2.659 4.125 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.108 -1.552 4.496 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.543 -0.705 5.346 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.317 -1.294 4.017 1.00 2.82 N ATOM 0 H ARG B 26 -18.490 -5.797 6.098 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.176 -6.097 6.697 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.129 -4.112 5.631 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.847 -5.034 4.167 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -22.007 -4.849 3.467 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.664 -5.055 5.079 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.018 -2.710 5.635 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.382 -2.506 4.014 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.935 -3.285 3.469 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -22.614 -0.900 5.719 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.038 0.142 5.627 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.756 -1.943 3.365 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.808 -0.446 4.301 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.228 -7.699 3.997 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.584 -8.763 3.086 1.00 0.57 C ATOM 1986 C GLU B 27 -20.216 -10.128 3.658 1.00 0.80 C ATOM 1987 O GLU B 27 -19.896 -10.253 4.840 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.897 -8.523 1.743 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.729 -7.670 0.810 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.869 -8.445 0.175 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.650 -9.049 -0.896 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -22.977 -8.450 0.750 1.00 1.79 O ATOM 0 H GLU B 27 -19.317 -7.275 3.821 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.664 -8.761 2.941 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.935 -8.039 1.912 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -19.692 -9.482 1.267 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -21.134 -6.822 1.362 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.089 -7.264 0.026 1.00 0.85 H new ATOM 1999 N GLY B 28 -20.292 -11.137 2.799 1.00 1.32 N ATOM 2000 CA GLY B 28 -19.996 -12.522 3.165 1.00 1.87 C ATOM 2001 C GLY B 28 -19.022 -12.681 4.314 1.00 1.35 C ATOM 2002 O GLY B 28 -18.122 -11.863 4.507 1.00 1.58 O ATOM 0 H GLY B 28 -20.562 -11.020 1.822 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -20.929 -13.021 3.426 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -19.593 -13.036 2.292 1.00 1.87 H new ATOM 2006 N ARG B 29 -19.209 -13.759 5.068 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.386 -14.045 6.233 1.00 1.06 C ATOM 2008 C ARG B 29 -16.907 -13.763 5.990 1.00 1.14 C ATOM 2009 O ARG B 29 -16.296 -12.988 6.725 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.584 -15.495 6.708 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.105 -16.573 5.736 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.854 -16.518 4.413 1.00 2.36 C ATOM 2013 NE ARG B 29 -18.536 -17.659 3.558 1.00 2.88 N ATOM 2014 CZ ARG B 29 -19.069 -17.849 2.357 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.942 -16.977 1.871 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -18.729 -18.910 1.638 1.00 4.30 N ATOM 0 H ARG B 29 -19.933 -14.455 4.888 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.718 -13.368 7.020 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -18.060 -15.624 7.655 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.644 -15.653 6.906 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.037 -16.449 5.554 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.239 -17.555 6.189 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -19.927 -16.496 4.604 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.604 -15.594 3.892 1.00 2.36 H new ATOM 0 HE ARG B 29 -17.867 -18.348 3.903 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -20.205 -16.159 2.420 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -20.350 -17.125 0.948 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -18.057 -19.582 2.007 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -19.140 -19.054 0.716 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.327 -14.384 4.973 1.00 1.05 N ATOM 2031 CA LYS B 30 -14.913 -14.192 4.704 1.00 1.49 C ATOM 2032 C LYS B 30 -14.601 -14.152 3.205 1.00 1.34 C ATOM 2033 O LYS B 30 -13.744 -14.886 2.725 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.115 -15.313 5.374 1.00 2.04 C ATOM 2035 CG LYS B 30 -14.480 -15.542 6.831 1.00 2.66 C ATOM 2036 CD LYS B 30 -13.675 -16.682 7.432 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.054 -16.928 8.884 1.00 4.01 C ATOM 2038 NZ LYS B 30 -13.269 -18.043 9.482 1.00 4.78 N ATOM 0 H LYS B 30 -16.806 -15.015 4.331 1.00 1.05 H new ATOM 0 HA LYS B 30 -14.626 -13.224 5.115 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.272 -16.239 4.820 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.052 -15.079 5.308 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -14.302 -14.629 7.400 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.544 -15.765 6.910 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -13.841 -17.590 6.853 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -12.612 -16.452 7.367 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -13.890 -16.018 9.461 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -15.118 -17.158 8.948 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -13.557 -18.179 10.472 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -13.445 -18.917 8.947 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -12.255 -17.813 9.445 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.300 -13.313 2.462 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.019 -13.187 1.041 1.00 0.88 C ATOM 2054 C GLY B 31 -14.292 -11.912 0.770 1.00 0.81 C ATOM 2055 O GLY B 31 -13.091 -11.846 0.892 1.00 0.85 O ATOM 0 H GLY B 31 -16.053 -12.718 2.809 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.421 -14.034 0.705 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.950 -13.210 0.475 1.00 0.88 H new ATOM 2059 N SER B 32 -14.998 -10.903 0.377 1.00 0.74 N ATOM 2060 CA SER B 32 -14.359 -9.638 0.128 1.00 0.71 C ATOM 2061 C SER B 32 -15.248 -8.522 0.585 1.00 0.70 C ATOM 2062 O SER B 32 -16.395 -8.740 0.974 1.00 0.75 O ATOM 2063 CB SER B 32 -14.014 -9.477 -1.354 1.00 0.69 C ATOM 2064 OG SER B 32 -14.949 -10.156 -2.176 1.00 1.09 O ATOM 0 H SER B 32 -16.006 -10.921 0.221 1.00 0.74 H new ATOM 0 HA SER B 32 -13.426 -9.605 0.691 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.999 -8.418 -1.614 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.013 -9.865 -1.541 1.00 0.69 H new ATOM 0 HG SER B 32 -14.705 -10.035 -3.117 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.722 -7.329 0.539 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.515 -6.185 0.901 1.00 0.74 C ATOM 2072 C LEU B 33 -16.143 -5.658 -0.356 1.00 0.57 C ATOM 2073 O LEU B 33 -15.611 -5.851 -1.449 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.678 -5.107 1.616 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.456 -3.760 0.896 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.522 -2.882 1.713 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.904 -3.943 -0.510 1.00 1.69 C ATOM 0 H LEU B 33 -13.763 -7.124 0.259 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.286 -6.476 1.614 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -15.153 -4.898 2.575 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.699 -5.535 1.832 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.428 -3.275 0.803 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -13.371 -1.933 1.198 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -13.962 -2.696 2.693 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.563 -3.386 1.835 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -13.765 -2.968 -0.976 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.947 -4.461 -0.460 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.605 -4.531 -1.102 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.269 -5.011 -0.226 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.931 -4.524 -1.391 1.00 0.47 C ATOM 2091 C ASN B 34 -17.766 -3.026 -1.469 1.00 0.41 C ATOM 2092 O ASN B 34 -16.647 -2.517 -1.392 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.391 -4.988 -1.346 1.00 0.56 C ATOM 2094 CG ASN B 34 -20.128 -4.433 -0.142 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.890 -3.475 -0.258 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.888 -5.016 1.026 1.00 2.12 N ATOM 0 H ASN B 34 -17.735 -4.815 0.660 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.495 -4.925 -2.306 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.899 -4.674 -2.258 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.424 -6.077 -1.321 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.343 -4.671 1.871 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -19.248 -5.809 1.078 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.847 -2.331 -1.665 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.805 -0.895 -1.723 1.00 0.54 C ATOM 2105 C ILE B 35 -19.953 -0.265 -0.942 1.00 0.56 C ATOM 2106 O ILE B 35 -20.386 0.842 -1.242 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.779 -0.410 -3.174 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.779 -1.202 -4.024 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.361 -0.579 -3.710 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -21.170 -1.280 -3.430 1.00 1.04 C ATOM 0 H ILE B 35 -19.775 -2.736 -1.788 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.881 -0.571 -1.245 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.068 0.640 -3.221 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.842 -0.745 -5.011 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.399 -2.214 -4.165 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.320 -0.239 -4.745 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.671 0.011 -3.106 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -17.077 -1.630 -3.662 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.816 -1.857 -4.092 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -21.123 -1.766 -2.455 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.573 -0.274 -3.315 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.432 -0.986 0.071 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.510 -0.498 0.927 1.00 0.63 C ATOM 2124 C ASN B 36 -20.942 0.438 1.969 1.00 0.59 C ATOM 2125 O ASN B 36 -21.296 1.614 2.009 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.264 -1.651 1.592 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.158 -2.396 0.621 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.664 -1.819 -0.342 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.355 -3.685 0.869 1.00 1.90 N ATOM 0 H ASN B 36 -20.088 -1.914 0.319 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.226 0.042 0.307 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.547 -2.347 2.028 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.868 -1.261 2.411 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -23.946 -4.239 0.249 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -22.915 -4.121 1.679 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.090 -0.072 2.847 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.479 0.819 3.810 1.00 0.56 C ATOM 2138 C GLU B 37 -18.451 1.683 3.102 1.00 0.50 C ATOM 2139 O GLU B 37 -18.091 2.741 3.597 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.863 0.076 4.982 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.692 -1.111 5.423 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.199 -1.723 6.719 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.525 -1.177 7.794 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.486 -2.744 6.659 1.00 1.28 O ATOM 0 H GLU B 37 -19.818 -1.053 2.910 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.259 1.451 4.235 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.865 -0.265 4.706 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.745 0.763 5.820 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.729 -0.799 5.546 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.678 -1.869 4.640 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.992 1.241 1.920 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.056 2.024 1.139 1.00 0.43 C ATOM 2153 C PHE B 38 -17.649 3.418 0.958 1.00 0.45 C ATOM 2154 O PHE B 38 -16.948 4.418 0.851 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.843 1.358 -0.220 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.730 1.946 -1.032 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.771 3.262 -1.457 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.638 1.173 -1.366 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.734 3.795 -2.201 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.597 1.694 -2.108 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.644 3.010 -2.526 1.00 0.46 C ATOM 0 H PHE B 38 -18.259 0.352 1.498 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.092 2.091 1.644 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.641 0.298 -0.064 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.768 1.425 -0.792 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.621 3.879 -1.205 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.597 0.144 -1.042 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.776 4.824 -2.528 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.749 1.075 -2.361 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.832 3.424 -3.105 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.977 3.457 0.961 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.711 4.700 0.825 1.00 0.53 C ATOM 2173 C LYS B 39 -19.398 5.643 1.970 1.00 0.54 C ATOM 2174 O LYS B 39 -19.750 6.820 1.942 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.190 4.395 0.726 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.451 3.343 -0.327 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.923 3.248 -0.685 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.754 2.659 0.438 1.00 1.49 C ATOM 2179 NZ LYS B 39 -25.192 2.568 0.063 1.00 1.82 N ATOM 0 H LYS B 39 -19.568 2.631 1.057 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.403 5.209 -0.088 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.560 4.050 1.691 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.738 5.305 0.481 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.875 3.576 -1.222 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.103 2.375 0.034 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -23.299 4.241 -0.930 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -23.038 2.635 -1.579 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.379 1.667 0.688 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.648 3.274 1.332 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.732 2.161 0.853 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -25.556 3.518 -0.152 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -25.294 1.961 -0.775 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.791 5.099 3.003 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.352 5.891 4.122 1.00 0.57 C ATOM 2195 C GLU B 40 -16.989 6.524 3.787 1.00 0.55 C ATOM 2196 O GLU B 40 -16.470 7.334 4.555 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.241 5.005 5.379 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.863 4.379 5.575 1.00 1.09 C ATOM 2199 CD GLU B 40 -16.758 3.557 6.843 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.075 2.349 6.793 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -16.360 4.118 7.885 1.00 2.62 O ATOM 0 H GLU B 40 -18.591 4.102 3.087 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.075 6.682 4.321 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.485 5.604 6.256 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.985 4.211 5.318 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.633 3.745 4.718 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.112 5.169 5.598 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.416 6.153 2.628 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.107 6.627 2.248 1.00 0.50 C ATOM 2210 C LEU B 41 -15.156 8.053 1.742 1.00 0.55 C ATOM 2211 O LEU B 41 -15.035 8.979 2.528 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.491 5.709 1.190 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.245 4.252 1.603 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.163 3.636 0.730 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.872 4.152 3.074 1.00 0.66 C ATOM 0 H LEU B 41 -16.852 5.527 1.951 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.479 6.611 3.139 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.143 5.710 0.317 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.540 6.140 0.878 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.171 3.695 1.459 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.997 2.602 1.032 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.478 3.663 -0.313 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.238 4.201 0.845 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.704 3.108 3.337 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.962 4.723 3.258 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.682 4.553 3.683 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.366 8.227 0.435 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.406 9.571 -0.164 1.00 0.62 C ATOM 2229 C ALA B 42 -16.151 10.545 0.732 1.00 0.68 C ATOM 2230 O ALA B 42 -15.793 11.709 0.842 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.045 9.542 -1.530 1.00 0.65 C ATOM 0 H ALA B 42 -15.510 7.464 -0.227 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.375 9.909 -0.270 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.060 10.549 -1.946 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.472 8.887 -2.186 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.066 9.169 -1.446 1.00 0.65 H new ATOM 2237 N THR B 43 -17.172 10.033 1.393 1.00 0.65 N ATOM 2238 CA THR B 43 -17.983 10.833 2.295 1.00 0.73 C ATOM 2239 C THR B 43 -17.113 11.570 3.312 1.00 0.78 C ATOM 2240 O THR B 43 -17.108 12.796 3.366 1.00 0.85 O ATOM 2241 CB THR B 43 -19.019 9.965 3.029 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.504 8.638 3.231 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.311 9.905 2.235 1.00 0.76 C ATOM 0 H THR B 43 -17.462 9.058 1.322 1.00 0.65 H new ATOM 0 HA THR B 43 -18.511 11.568 1.688 1.00 0.73 H new ATOM 0 HB THR B 43 -19.223 10.415 4.001 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.968 8.013 2.636 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.036 9.288 2.766 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.711 10.912 2.115 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.115 9.473 1.254 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.410 10.807 4.137 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.500 11.368 5.135 1.00 0.84 C ATOM 2253 C GLN B 44 -14.195 11.726 4.466 1.00 0.83 C ATOM 2254 O GLN B 44 -13.561 12.730 4.790 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.261 10.342 6.238 1.00 0.87 C ATOM 2256 CG GLN B 44 -14.174 10.748 7.220 1.00 1.54 C ATOM 2257 CD GLN B 44 -14.481 12.058 7.923 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -15.104 12.075 8.985 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -14.047 13.166 7.331 1.00 2.74 N ATOM 0 H GLN B 44 -16.451 9.788 4.137 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.937 12.264 5.575 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -16.191 10.184 6.783 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.991 9.388 5.784 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -14.050 9.961 7.964 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -13.226 10.838 6.690 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -13.534 13.107 6.451 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -14.227 14.075 7.757 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.801 10.881 3.530 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.602 11.098 2.759 1.00 0.82 C ATOM 2270 C GLN B 45 -12.655 12.483 2.146 1.00 0.78 C ATOM 2271 O GLN B 45 -11.624 13.113 1.912 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.512 10.059 1.663 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.953 8.734 2.114 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.896 8.234 1.156 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -9.716 8.533 1.310 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.315 7.496 0.142 1.00 1.45 N ATOM 0 H GLN B 45 -14.306 10.028 3.288 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.727 11.015 3.403 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.507 9.899 1.247 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.889 10.449 0.858 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -11.525 8.837 3.111 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.758 8.002 2.187 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -12.305 7.270 0.051 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.648 7.153 -0.549 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.890 12.956 1.881 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.097 14.290 1.318 1.00 0.78 C ATOM 2287 C LEU B 46 -13.180 15.260 2.031 1.00 0.74 C ATOM 2288 O LEU B 46 -12.120 15.572 1.497 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.563 14.750 1.400 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.418 14.526 0.142 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.797 15.142 0.322 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.733 15.110 -1.085 1.00 1.30 C ATOM 0 H LEU B 46 -14.749 12.432 2.049 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.857 14.257 0.255 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.038 14.232 2.233 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.575 15.814 1.637 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.532 13.452 -0.008 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.390 14.975 -0.577 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.293 14.680 1.175 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.697 16.213 0.497 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.355 14.941 -1.964 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.587 16.181 -0.945 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.766 14.627 -1.226 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.499 15.720 3.263 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.584 16.622 3.920 1.00 0.80 C ATOM 2306 C PRO B 47 -11.408 15.899 4.521 1.00 0.77 C ATOM 2307 O PRO B 47 -11.430 15.426 5.657 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.437 17.218 5.036 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.465 16.178 5.331 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.714 15.457 4.038 1.00 0.90 C ATOM 0 HA PRO B 47 -12.163 17.353 3.230 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -12.835 17.440 5.917 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -13.900 18.154 4.722 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.113 15.489 6.099 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.382 16.632 5.706 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.866 14.389 4.196 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.603 15.834 3.532 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.392 15.828 3.701 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.109 15.295 4.049 1.00 0.75 C ATOM 2320 C HIS B 48 -8.168 16.439 4.344 1.00 0.83 C ATOM 2321 O HIS B 48 -8.602 17.552 4.639 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.634 14.449 2.894 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.580 12.995 3.245 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.498 12.075 2.791 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.735 12.316 4.053 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.222 10.891 3.307 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.157 11.012 4.076 1.00 1.59 N ATOM 0 H HIS B 48 -10.442 16.154 2.736 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.155 14.671 4.941 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.300 14.591 2.043 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.644 14.783 2.583 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.270 12.276 2.156 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -6.886 12.725 4.581 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.774 9.980 3.130 1.00 2.02 H new ATOM 2336 N LEU B 49 -6.877 16.170 4.262 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.904 17.228 4.384 1.00 1.00 C ATOM 2338 C LEU B 49 -5.825 17.878 3.004 1.00 0.98 C ATOM 2339 O LEU B 49 -6.513 18.861 2.728 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.542 16.695 4.838 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.472 16.259 6.303 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.081 15.749 6.642 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -4.857 17.411 7.219 1.00 2.44 C ATOM 0 H LEU B 49 -6.487 15.239 4.113 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.198 17.950 5.146 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.273 15.846 4.209 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -3.792 17.467 4.669 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.182 15.446 6.455 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.050 15.444 7.688 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -2.842 14.896 6.008 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -2.352 16.542 6.474 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -4.802 17.084 8.257 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -4.171 18.244 7.064 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -5.874 17.731 6.993 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.980 17.319 2.141 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.866 17.778 0.760 1.00 1.01 C ATOM 2357 C LEU B 50 -5.913 17.046 -0.085 1.00 0.92 C ATOM 2358 O LEU B 50 -5.577 16.404 -1.080 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.459 17.518 0.215 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.206 18.020 -1.208 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.451 19.520 -1.298 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.790 17.685 -1.648 1.00 2.24 C ATOM 0 H LEU B 50 -4.361 16.543 2.376 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.042 18.853 0.717 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.736 17.988 0.882 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.269 16.445 0.243 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.903 17.517 -1.878 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.266 19.858 -2.317 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.484 19.737 -1.026 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.779 20.040 -0.615 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.628 18.050 -2.662 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.077 18.160 -0.974 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.647 16.605 -1.624 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.180 17.144 0.319 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.269 16.447 -0.356 1.00 0.80 C ATOM 2376 C LYS B 51 -8.126 16.437 -1.877 1.00 0.89 C ATOM 2377 O LYS B 51 -7.475 17.298 -2.468 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.620 17.053 0.040 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.807 16.496 -0.761 1.00 1.24 C ATOM 2380 CD LYS B 51 -12.122 17.268 -0.554 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.118 18.192 0.661 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.454 18.801 0.903 1.00 3.58 N ATOM 0 H LYS B 51 -7.476 17.705 1.118 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.220 15.409 -0.027 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.792 16.872 1.101 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.577 18.134 -0.096 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.554 16.508 -1.821 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.962 15.454 -0.483 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.328 17.860 -1.446 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.938 16.553 -0.450 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.811 17.630 1.543 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.381 18.981 0.514 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -13.407 19.421 1.737 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.737 19.359 0.072 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.153 18.049 1.070 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.760 15.440 -2.489 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.753 15.272 -3.939 1.00 1.17 C ATOM 2398 C ASP B 52 -10.090 15.727 -4.511 1.00 1.24 C ATOM 2399 O ASP B 52 -10.153 16.235 -5.628 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.485 13.811 -4.311 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.038 13.416 -4.088 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.613 13.353 -2.915 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -6.329 13.173 -5.087 1.00 2.35 O ATOM 0 H ASP B 52 -9.293 14.726 -1.993 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.955 15.882 -4.362 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -9.131 13.163 -3.719 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.746 13.651 -5.357 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.146 15.519 -3.709 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.523 15.903 -4.014 1.00 1.27 C ATOM 2410 C VAL B 53 -13.347 14.735 -4.541 1.00 1.24 C ATOM 2411 O VAL B 53 -13.634 14.646 -5.735 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.601 17.067 -5.002 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -14.047 17.450 -5.295 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -11.821 18.271 -4.489 1.00 1.92 C ATOM 0 H VAL B 53 -11.056 15.063 -2.801 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.948 16.228 -3.064 1.00 1.27 H new ATOM 0 HB VAL B 53 -12.146 16.736 -5.936 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -14.068 18.280 -6.001 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.570 16.596 -5.725 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.539 17.748 -4.369 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -11.893 19.085 -5.210 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.237 18.594 -3.535 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -10.775 17.996 -4.355 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.707 13.830 -3.640 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.540 12.698 -4.016 1.00 1.09 C ATOM 2426 C GLY B 54 -15.824 13.157 -4.687 1.00 1.13 C ATOM 2427 O GLY B 54 -16.780 13.540 -4.013 1.00 1.23 O ATOM 0 H GLY B 54 -13.439 13.857 -2.656 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.987 12.045 -4.692 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.780 12.110 -3.130 1.00 1.09 H new ATOM 2431 N SER B 55 -15.837 13.150 -6.018 1.00 1.16 N ATOM 2432 CA SER B 55 -17.006 13.574 -6.777 1.00 1.24 C ATOM 2433 C SER B 55 -18.128 12.544 -6.690 1.00 1.10 C ATOM 2434 O SER B 55 -17.884 11.338 -6.745 1.00 1.09 O ATOM 2435 CB SER B 55 -16.615 13.805 -8.234 1.00 1.40 C ATOM 2436 OG SER B 55 -16.418 12.578 -8.912 1.00 1.62 O ATOM 0 H SER B 55 -15.048 12.854 -6.592 1.00 1.16 H new ATOM 0 HA SER B 55 -17.375 14.505 -6.347 1.00 1.24 H new ATOM 0 HB2 SER B 55 -17.394 14.380 -8.735 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.702 14.399 -8.279 1.00 1.40 H new ATOM 0 HG SER B 55 -16.956 12.567 -9.731 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.361 13.028 -6.563 1.00 1.15 N ATOM 2443 CA LEU B 56 -20.528 12.154 -6.463 1.00 1.10 C ATOM 2444 C LEU B 56 -20.485 11.043 -7.507 1.00 0.98 C ATOM 2445 O LEU B 56 -20.467 9.861 -7.165 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.815 12.968 -6.621 1.00 1.28 C ATOM 2447 CG LEU B 56 -23.107 12.150 -6.579 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.257 11.459 -5.233 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -24.310 13.039 -6.862 1.00 2.83 C ATOM 0 H LEU B 56 -19.579 14.024 -6.527 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.512 11.691 -5.476 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.852 13.718 -5.831 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.773 13.505 -7.569 1.00 1.28 H new ATOM 0 HG LEU B 56 -23.056 11.385 -7.353 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -24.182 10.882 -5.221 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.411 10.792 -5.070 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.286 12.207 -4.441 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -25.221 12.441 -6.828 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -24.365 13.827 -6.111 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -24.207 13.487 -7.850 1.00 2.83 H new ATOM 2461 N ASP B 57 -20.470 11.426 -8.780 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.427 10.450 -9.864 1.00 1.01 C ATOM 2463 C ASP B 57 -19.334 9.436 -9.638 1.00 0.95 C ATOM 2464 O ASP B 57 -19.557 8.227 -9.674 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.197 11.122 -11.206 1.00 1.15 C ATOM 2466 CG ASP B 57 -19.288 12.333 -11.110 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -18.054 12.157 -11.192 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -19.810 13.456 -10.953 1.00 2.19 O ATOM 0 H ASP B 57 -20.487 12.399 -9.085 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.395 9.948 -9.874 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.762 10.401 -11.898 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -21.157 11.426 -11.624 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.154 9.951 -9.397 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.987 9.122 -9.145 1.00 0.95 C ATOM 2475 C GLU B 58 -17.298 8.175 -8.007 1.00 0.87 C ATOM 2476 O GLU B 58 -16.946 6.997 -8.034 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.779 9.987 -8.787 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.519 9.185 -8.512 1.00 1.44 C ATOM 2479 CD GLU B 58 -14.033 8.425 -9.732 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -14.553 7.318 -9.988 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -13.133 8.936 -10.432 1.00 2.29 O ATOM 0 H GLU B 58 -17.969 10.954 -9.369 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.746 8.557 -10.045 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.586 10.683 -9.603 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -16.018 10.585 -7.908 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.732 9.857 -8.170 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.710 8.481 -7.702 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.974 8.716 -7.006 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.377 7.943 -5.853 1.00 0.76 C ATOM 2490 C LYS B 59 -19.444 6.924 -6.236 1.00 0.80 C ATOM 2491 O LYS B 59 -19.619 5.913 -5.559 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.889 8.880 -4.756 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.825 9.851 -4.266 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.420 11.125 -3.700 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.456 10.829 -2.629 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.242 12.039 -2.260 1.00 2.67 N ATOM 0 H LYS B 59 -18.255 9.696 -6.974 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.514 7.396 -5.473 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.742 9.443 -5.135 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.247 8.286 -3.915 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.219 9.366 -3.501 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.157 10.100 -5.091 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.626 11.742 -3.279 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -18.880 11.701 -4.503 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -20.133 10.052 -2.985 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.958 10.436 -1.742 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.937 11.791 -1.527 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.600 12.772 -1.896 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.739 12.400 -3.100 1.00 2.67 H new ATOM 2510 N MET B 60 -20.154 7.203 -7.328 1.00 0.86 N ATOM 2511 CA MET B 60 -21.205 6.315 -7.817 1.00 0.92 C ATOM 2512 C MET B 60 -20.635 5.148 -8.621 1.00 0.96 C ATOM 2513 O MET B 60 -21.113 4.020 -8.514 1.00 1.01 O ATOM 2514 CB MET B 60 -22.203 7.100 -8.669 1.00 1.00 C ATOM 2515 CG MET B 60 -23.081 8.039 -7.860 1.00 1.01 C ATOM 2516 SD MET B 60 -24.282 8.917 -8.877 1.00 1.74 S ATOM 2517 CE MET B 60 -25.276 9.712 -7.616 1.00 2.31 C ATOM 0 H MET B 60 -20.019 8.042 -7.893 1.00 0.86 H new ATOM 0 HA MET B 60 -21.716 5.900 -6.948 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.657 7.678 -9.415 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.837 6.398 -9.211 1.00 1.00 H new ATOM 0 HG2 MET B 60 -23.607 7.469 -7.094 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.451 8.763 -7.342 1.00 1.01 H new ATOM 0 HE1 MET B 60 -26.237 9.203 -7.535 1.00 2.31 H new ATOM 0 HE2 MET B 60 -24.757 9.662 -6.659 1.00 2.31 H new ATOM 0 HE3 MET B 60 -25.440 10.755 -7.886 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.619 5.423 -9.428 1.00 0.97 N ATOM 2528 CA LYS B 61 -19.002 4.380 -10.250 1.00 1.02 C ATOM 2529 C LYS B 61 -18.022 3.565 -9.437 1.00 0.96 C ATOM 2530 O LYS B 61 -18.020 2.336 -9.490 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.269 4.962 -11.461 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.625 6.406 -11.778 1.00 1.55 C ATOM 2533 CD LYS B 61 -17.985 6.873 -13.076 1.00 2.08 C ATOM 2534 CE LYS B 61 -18.396 8.298 -13.416 1.00 2.60 C ATOM 2535 NZ LYS B 61 -19.872 8.433 -13.553 1.00 3.16 N ATOM 0 H LYS B 61 -19.205 6.349 -9.534 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.813 3.744 -10.604 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -17.195 4.895 -11.287 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.489 4.347 -12.333 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -19.708 6.506 -11.850 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -18.299 7.049 -10.960 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -16.900 6.816 -12.989 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -18.275 6.206 -13.887 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.040 8.974 -12.638 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -17.916 8.602 -14.346 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.096 9.332 -14.025 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -20.242 7.643 -14.119 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -20.311 8.419 -12.610 1.00 3.16 H new ATOM 2549 N THR B 62 -17.191 4.263 -8.679 1.00 0.99 N ATOM 2550 CA THR B 62 -16.182 3.611 -7.866 1.00 0.96 C ATOM 2551 C THR B 62 -16.780 2.455 -7.072 1.00 0.87 C ATOM 2552 O THR B 62 -16.076 1.516 -6.700 1.00 0.84 O ATOM 2553 CB THR B 62 -15.485 4.600 -6.915 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.937 5.691 -7.664 1.00 1.13 O ATOM 2555 CG2 THR B 62 -14.375 3.905 -6.142 1.00 1.05 C ATOM 0 H THR B 62 -17.197 5.281 -8.611 1.00 0.99 H new ATOM 0 HA THR B 62 -15.431 3.216 -8.550 1.00 0.96 H new ATOM 0 HB THR B 62 -16.223 4.978 -6.207 1.00 1.03 H new ATOM 0 HG1 THR B 62 -15.665 6.216 -8.057 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.894 4.620 -5.475 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.796 3.088 -5.556 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.639 3.508 -6.841 1.00 1.05 H new ATOM 2563 N LEU B 63 -18.085 2.526 -6.816 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.766 1.461 -6.099 1.00 0.83 C ATOM 2565 C LEU B 63 -18.576 0.144 -6.836 1.00 0.80 C ATOM 2566 O LEU B 63 -18.086 -0.838 -6.279 1.00 0.89 O ATOM 2567 CB LEU B 63 -20.258 1.751 -5.970 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.630 2.786 -4.912 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.409 3.928 -5.534 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.431 2.143 -3.795 1.00 1.41 C ATOM 0 H LEU B 63 -18.683 3.304 -7.093 1.00 0.86 H new ATOM 0 HA LEU B 63 -18.336 1.397 -5.100 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -20.630 2.092 -6.936 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.774 0.819 -5.741 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.710 3.188 -4.488 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.665 4.656 -4.764 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.800 4.409 -6.300 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -22.322 3.542 -5.986 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.687 2.897 -3.050 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.345 1.712 -4.204 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.837 1.358 -3.327 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.981 0.135 -8.096 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.859 -1.051 -8.930 1.00 0.81 C ATOM 2584 C ASP B 64 -17.404 -1.311 -9.304 1.00 0.81 C ATOM 2585 O ASP B 64 -16.959 -2.458 -9.352 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.690 -0.889 -10.198 1.00 0.91 C ATOM 2587 CG ASP B 64 -21.180 -0.982 -9.933 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.794 0.059 -9.618 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -21.733 -2.097 -10.040 1.00 1.96 O ATOM 0 H ASP B 64 -19.399 0.939 -8.565 1.00 0.78 H new ATOM 0 HA ASP B 64 -19.228 -1.903 -8.359 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.465 0.075 -10.655 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.404 -1.657 -10.917 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.671 -0.237 -9.574 1.00 0.81 N ATOM 2595 CA VAL B 65 -15.269 -0.343 -9.953 1.00 0.87 C ATOM 2596 C VAL B 65 -14.446 -1.029 -8.869 1.00 0.77 C ATOM 2597 O VAL B 65 -13.879 -2.099 -9.091 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.658 1.040 -10.242 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -13.202 0.909 -10.662 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -15.464 1.768 -11.307 1.00 1.07 C ATOM 0 H VAL B 65 -17.026 0.718 -9.537 1.00 0.81 H new ATOM 0 HA VAL B 65 -15.239 -0.946 -10.860 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.693 1.628 -9.325 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.790 1.898 -10.861 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.634 0.434 -9.862 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -13.137 0.301 -11.564 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -15.017 2.744 -11.498 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -15.464 1.183 -12.227 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -16.489 1.900 -10.961 1.00 1.07 H new ATOM 2610 N ASN B 66 -14.385 -0.412 -7.691 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.615 -0.961 -6.577 1.00 0.67 C ATOM 2612 C ASN B 66 -14.367 -2.042 -5.801 1.00 0.56 C ATOM 2613 O ASN B 66 -14.143 -2.210 -4.605 1.00 0.57 O ATOM 2614 CB ASN B 66 -13.196 0.144 -5.617 1.00 0.81 C ATOM 2615 CG ASN B 66 -12.582 1.332 -6.332 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -12.826 1.553 -7.519 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -11.776 2.105 -5.612 1.00 1.10 N ATOM 0 H ASN B 66 -14.859 0.467 -7.483 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.736 -1.427 -7.021 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -14.065 0.476 -5.048 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.479 -0.255 -4.900 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -11.332 2.918 -6.040 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.601 1.886 -4.631 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.271 -2.762 -6.464 1.00 0.63 N ATOM 2625 CA GLN B 67 -16.012 -3.850 -5.828 1.00 0.68 C ATOM 2626 C GLN B 67 -15.087 -4.665 -4.940 1.00 0.61 C ATOM 2627 O GLN B 67 -15.312 -4.811 -3.739 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.600 -4.749 -6.912 1.00 0.90 C ATOM 2629 CG GLN B 67 -17.155 -6.072 -6.407 1.00 0.74 C ATOM 2630 CD GLN B 67 -16.105 -7.178 -6.373 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.852 -7.834 -7.384 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -15.503 -7.410 -5.202 1.00 1.44 N ATOM 0 H GLN B 67 -15.508 -2.611 -7.444 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.811 -3.433 -5.215 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.397 -4.207 -7.422 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.828 -4.954 -7.654 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.561 -5.932 -5.405 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.982 -6.382 -7.046 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -15.739 -6.845 -4.386 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.807 -8.152 -5.124 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.041 -5.189 -5.561 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.037 -5.977 -4.877 1.00 0.62 C ATOM 2643 C ASP B 68 -12.008 -5.084 -4.182 1.00 0.59 C ATOM 2644 O ASP B 68 -10.845 -5.468 -4.058 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.316 -6.869 -5.882 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.249 -7.488 -6.902 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -13.560 -6.814 -7.905 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -13.662 -8.648 -6.700 1.00 1.50 O ATOM 0 H ASP B 68 -13.867 -5.076 -6.560 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.541 -6.582 -4.123 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -11.557 -6.283 -6.401 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.795 -7.662 -5.346 1.00 0.73 H new ATOM 2653 N SER B 69 -12.418 -3.900 -3.717 1.00 0.56 N ATOM 2654 CA SER B 69 -11.484 -3.006 -3.053 1.00 0.58 C ATOM 2655 C SER B 69 -10.798 -3.721 -1.896 1.00 0.62 C ATOM 2656 O SER B 69 -9.775 -3.258 -1.400 1.00 0.74 O ATOM 2657 CB SER B 69 -12.192 -1.739 -2.553 1.00 0.66 C ATOM 2658 OG SER B 69 -11.274 -0.842 -1.948 1.00 1.74 O ATOM 0 H SER B 69 -13.373 -3.549 -3.789 1.00 0.56 H new ATOM 0 HA SER B 69 -10.729 -2.706 -3.779 1.00 0.58 H new ATOM 0 HB2 SER B 69 -12.691 -1.245 -3.387 1.00 0.66 H new ATOM 0 HB3 SER B 69 -12.965 -2.011 -1.835 1.00 0.66 H new ATOM 0 HG SER B 69 -10.851 -0.291 -2.639 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.394 -4.823 -1.442 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.815 -5.625 -0.378 1.00 0.76 C ATOM 2666 C GLU B 70 -11.042 -7.088 -0.660 1.00 0.77 C ATOM 2667 O GLU B 70 -11.884 -7.470 -1.473 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.406 -5.289 0.998 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.400 -6.467 1.979 1.00 1.33 C ATOM 2670 CD GLU B 70 -11.920 -6.162 3.349 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.586 -5.125 3.532 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -11.660 -6.986 4.248 1.00 2.73 O ATOM 0 H GLU B 70 -12.281 -5.177 -1.800 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.749 -5.397 -0.352 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.843 -4.463 1.433 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.431 -4.942 0.868 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.995 -7.275 1.554 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -10.379 -6.837 2.070 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.270 -7.893 0.029 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.381 -9.290 -0.073 1.00 0.83 C ATOM 2681 C LEU B 71 -10.152 -9.995 1.269 1.00 0.81 C ATOM 2682 O LEU B 71 -9.368 -9.555 2.094 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.353 -9.691 -1.072 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.105 -11.144 -1.193 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.242 -11.660 -0.053 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.424 -11.875 -1.393 1.00 1.25 C ATOM 0 H LEU B 71 -9.548 -7.574 0.675 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.387 -9.580 -0.376 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.654 -9.311 -2.048 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.414 -9.201 -0.815 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.511 -11.351 -2.083 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.081 -12.731 -0.175 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.281 -11.145 -0.062 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.744 -11.474 0.896 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.237 -12.945 -1.482 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.076 -11.690 -0.539 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -10.906 -11.514 -2.302 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.894 -11.060 1.489 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.738 -11.909 2.657 1.00 0.80 C ATOM 2700 C ARG B 72 -10.151 -13.254 2.193 1.00 0.69 C ATOM 2701 O ARG B 72 -9.432 -13.928 2.929 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.087 -12.098 3.339 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.882 -10.813 3.464 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.043 -9.684 4.021 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.303 -10.083 5.215 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.801 -10.035 6.448 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -13.050 -9.631 6.650 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.054 -10.398 7.481 1.00 1.42 N ATOM 0 H ARG B 72 -11.632 -11.366 0.855 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.064 -11.453 3.382 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.672 -12.825 2.776 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.928 -12.517 4.333 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.270 -10.529 2.486 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.743 -10.980 4.112 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.342 -9.344 3.258 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.688 -8.839 4.261 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.347 -10.419 5.097 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.631 -9.356 5.858 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -13.428 -9.596 7.597 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -10.096 -10.715 7.331 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -11.437 -10.361 8.426 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.450 -13.594 0.926 1.00 0.60 N ATOM 2723 CA PHE B 73 -9.945 -14.802 0.268 1.00 0.57 C ATOM 2724 C PHE B 73 -8.688 -14.524 -0.603 1.00 0.52 C ATOM 2725 O PHE B 73 -7.619 -14.301 -0.067 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.043 -15.540 -0.553 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.875 -14.729 -1.537 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.674 -13.692 -1.110 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -11.848 -15.017 -2.895 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.423 -12.949 -1.995 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -12.599 -14.283 -3.791 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.388 -13.243 -3.341 1.00 0.87 C ATOM 0 H PHE B 73 -11.055 -13.030 0.329 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.641 -15.470 1.074 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.559 -16.343 -1.109 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.728 -16.009 0.154 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.714 -13.456 -0.057 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -11.231 -15.827 -3.255 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -14.037 -12.137 -1.635 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -12.569 -14.522 -4.844 1.00 1.44 H new ATOM 0 HZ PHE B 73 -13.974 -12.664 -4.039 1.00 0.87 H new ATOM 2742 N SER B 74 -8.819 -14.440 -1.929 1.00 0.48 N ATOM 2743 CA SER B 74 -7.633 -14.271 -2.792 1.00 0.48 C ATOM 2744 C SER B 74 -7.613 -12.984 -3.601 1.00 0.42 C ATOM 2745 O SER B 74 -6.564 -12.580 -4.103 1.00 0.46 O ATOM 2746 CB SER B 74 -7.447 -15.459 -3.729 1.00 0.63 C ATOM 2747 OG SER B 74 -8.671 -15.836 -4.334 1.00 1.03 O ATOM 0 H SER B 74 -9.709 -14.484 -2.426 1.00 0.48 H new ATOM 0 HA SER B 74 -6.800 -14.212 -2.091 1.00 0.48 H new ATOM 0 HB2 SER B 74 -6.721 -15.205 -4.501 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.039 -16.303 -3.173 1.00 0.63 H new ATOM 0 HG SER B 74 -8.520 -16.599 -4.930 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.745 -12.344 -3.747 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.826 -11.071 -4.475 1.00 0.42 C ATOM 2755 C GLU B 75 -8.020 -9.918 -3.819 1.00 0.42 C ATOM 2756 O GLU B 75 -8.290 -8.753 -4.110 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.292 -10.640 -4.564 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.217 -11.694 -5.135 1.00 0.59 C ATOM 2759 CD GLU B 75 -10.964 -11.969 -6.604 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.901 -10.999 -7.388 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -10.832 -13.157 -6.971 1.00 1.41 O ATOM 0 H GLU B 75 -9.636 -12.673 -3.375 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.388 -11.251 -5.457 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.640 -10.369 -3.567 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.358 -9.743 -5.180 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.097 -12.619 -4.572 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.250 -11.373 -5.004 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.033 -10.215 -2.948 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.293 -9.165 -2.288 1.00 0.38 C ATOM 2770 C TYR B 76 -5.517 -8.352 -3.302 1.00 0.39 C ATOM 2771 O TYR B 76 -5.171 -7.195 -3.062 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.350 -9.698 -1.219 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.854 -9.573 0.190 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.565 -8.466 0.628 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.635 -10.605 1.072 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.042 -8.399 1.916 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.102 -10.558 2.361 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.813 -9.451 2.785 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.288 -9.389 4.075 1.00 0.54 O ATOM 0 H TYR B 76 -6.747 -11.162 -2.701 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.023 -8.529 -1.788 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.148 -10.749 -1.425 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.400 -9.170 -1.297 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.746 -7.646 -0.051 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -5.083 -11.473 0.742 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.592 -7.531 2.247 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.916 -11.378 3.038 1.00 1.26 H new ATOM 0 HH TYR B 76 -8.267 -9.429 4.065 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.228 -8.977 -4.443 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.518 -8.292 -5.521 1.00 0.43 C ATOM 2791 C TRP B 77 -5.259 -7.021 -5.908 1.00 0.45 C ATOM 2792 O TRP B 77 -4.704 -6.163 -6.586 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.383 -9.204 -6.738 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.687 -9.795 -7.173 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.750 -9.127 -7.704 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.071 -11.171 -7.104 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.768 -10.007 -7.976 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.376 -11.269 -7.615 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -5.436 -12.327 -6.660 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.053 -12.486 -7.691 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -6.103 -13.527 -6.733 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -7.396 -13.602 -7.242 1.00 0.56 C ATOM 0 H TRP B 77 -5.472 -9.947 -4.643 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.520 -8.032 -5.167 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.954 -8.637 -7.564 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -3.685 -10.009 -6.507 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.786 -8.063 -7.884 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.671 -9.761 -8.382 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -4.432 -12.282 -6.263 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.056 -12.547 -8.088 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -5.615 -14.427 -6.389 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -7.892 -14.560 -7.284 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.524 -6.910 -5.506 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.293 -5.727 -5.783 1.00 0.47 C ATOM 2815 C ARG B 78 -6.886 -4.622 -4.816 1.00 0.49 C ATOM 2816 O ARG B 78 -7.034 -3.433 -5.097 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.781 -6.049 -5.682 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.286 -6.827 -6.879 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.775 -5.889 -7.967 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.579 -6.589 -8.965 1.00 1.49 N ATOM 2821 CZ ARG B 78 -11.047 -6.016 -10.068 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.787 -4.739 -10.315 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.772 -6.719 -10.926 1.00 2.83 N ATOM 0 H ARG B 78 -7.026 -7.632 -4.989 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.096 -5.377 -6.796 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.965 -6.624 -4.775 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.345 -5.121 -5.591 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.489 -7.459 -7.270 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.096 -7.489 -6.572 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.366 -5.090 -7.519 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -8.920 -5.419 -8.453 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.793 -7.573 -8.806 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.227 -4.196 -9.658 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.147 -4.300 -11.162 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.971 -7.702 -10.740 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -12.131 -6.277 -11.773 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.369 -5.051 -3.671 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.897 -4.163 -2.632 1.00 0.45 C ATOM 2839 C LEU B 79 -4.485 -3.698 -2.909 1.00 0.46 C ATOM 2840 O LEU B 79 -3.969 -2.804 -2.238 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.983 -4.879 -1.299 1.00 0.53 C ATOM 2842 CG LEU B 79 -7.414 -5.226 -0.908 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -7.954 -6.393 -1.701 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.534 -5.471 0.582 1.00 0.88 C ATOM 0 H LEU B 79 -6.267 -6.040 -3.441 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.526 -3.273 -2.607 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -5.391 -5.793 -1.344 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.542 -4.251 -0.525 1.00 0.53 H new ATOM 0 HG LEU B 79 -8.029 -4.361 -1.155 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -8.977 -6.604 -1.388 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -7.943 -6.147 -2.763 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -7.332 -7.271 -1.525 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.567 -5.716 0.828 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.886 -6.300 0.868 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.235 -4.574 1.124 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.857 -4.310 -3.900 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.513 -3.951 -4.262 1.00 0.48 C ATOM 2858 C ILE B 80 -2.456 -2.456 -4.592 1.00 0.48 C ATOM 2859 O ILE B 80 -1.632 -1.721 -4.053 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.014 -4.827 -5.441 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.489 -4.787 -5.516 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.620 -4.375 -6.764 1.00 0.55 C ATOM 2863 CD1 ILE B 80 0.106 -5.848 -6.414 1.00 1.16 C ATOM 0 H ILE B 80 -4.264 -5.057 -4.463 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.844 -4.138 -3.422 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.336 -5.852 -5.259 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.178 -3.805 -5.873 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.082 -4.904 -4.512 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.250 -5.009 -7.569 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.706 -4.452 -6.712 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.338 -3.340 -6.959 1.00 0.55 H new ATOM 0 HD11 ILE B 80 1.192 -5.756 -6.416 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.174 -6.835 -6.046 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.271 -5.719 -7.429 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.360 -2.010 -5.460 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.418 -0.608 -5.821 1.00 0.49 C ATOM 2877 C GLY B 81 -4.212 0.221 -4.823 1.00 0.43 C ATOM 2878 O GLY B 81 -4.373 1.428 -5.007 1.00 0.43 O ATOM 0 H GLY B 81 -4.055 -2.598 -5.920 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.405 -0.213 -5.891 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -3.868 -0.509 -6.809 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.716 -0.419 -3.763 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.510 0.277 -2.761 1.00 0.39 C ATOM 2884 C GLU B 82 -4.643 1.040 -1.788 1.00 0.33 C ATOM 2885 O GLU B 82 -4.761 2.256 -1.650 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.358 -0.700 -1.995 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.548 -1.216 -2.785 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.433 -0.099 -3.300 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.271 0.401 -2.521 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.287 0.279 -4.482 1.00 1.39 O ATOM 0 H GLU B 82 -4.586 -1.414 -3.582 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.144 0.987 -3.292 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.740 -1.545 -1.690 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.716 -0.222 -1.083 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.191 -1.809 -3.627 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.138 -1.881 -2.154 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.752 0.323 -1.105 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.845 0.956 -0.159 1.00 0.35 C ATOM 2899 C LEU B 83 -2.171 2.133 -0.828 1.00 0.34 C ATOM 2900 O LEU B 83 -1.717 3.069 -0.171 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.799 -0.040 0.340 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.176 -0.790 1.617 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.305 -2.025 1.780 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -2.038 0.121 2.827 1.00 1.31 C ATOM 0 H LEU B 83 -3.642 -0.687 -1.190 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.415 1.303 0.703 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.608 -0.769 -0.448 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.865 0.494 0.513 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.216 -1.107 1.540 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.585 -2.549 2.694 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.447 -2.686 0.925 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.258 -1.727 1.839 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.310 -0.428 3.729 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -1.007 0.464 2.908 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.698 0.981 2.712 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.114 2.072 -2.152 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.524 3.143 -2.914 1.00 0.37 C ATOM 2918 C ALA B 84 -2.374 4.413 -2.835 1.00 0.41 C ATOM 2919 O ALA B 84 -1.844 5.524 -2.840 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.354 2.728 -4.358 1.00 0.41 C ATOM 0 H ALA B 84 -2.469 1.295 -2.709 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.546 3.359 -2.484 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.907 3.547 -4.922 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.705 1.854 -4.411 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.327 2.483 -4.783 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.700 4.244 -2.759 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.618 5.387 -2.671 1.00 0.51 C ATOM 2928 C LYS B 85 -4.147 6.380 -1.625 1.00 0.50 C ATOM 2929 O LYS B 85 -4.516 7.548 -1.652 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.054 4.931 -2.379 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.637 4.037 -3.460 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.458 2.908 -2.860 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.620 3.439 -2.060 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.953 2.551 -0.911 1.00 2.69 N ATOM 0 H LYS B 85 -4.159 3.333 -2.757 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.618 5.885 -3.641 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.071 4.397 -1.429 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.689 5.809 -2.263 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.263 4.630 -4.127 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.831 3.622 -4.065 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.827 2.262 -3.656 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.824 2.295 -2.220 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.382 4.437 -1.691 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.492 3.538 -2.707 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.956 2.668 -0.661 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.776 1.561 -1.175 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -8.361 2.803 -0.094 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.370 5.894 -0.678 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.816 6.739 0.364 1.00 0.45 C ATOM 2950 C GLU B 86 -1.532 7.414 -0.099 1.00 0.44 C ATOM 2951 O GLU B 86 -1.372 8.626 0.023 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.534 5.916 1.609 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.555 4.831 1.844 1.00 0.98 C ATOM 2954 CD GLU B 86 -4.974 5.367 1.898 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.159 6.511 2.357 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -5.901 4.650 1.464 1.00 2.60 O ATOM 0 H GLU B 86 -3.106 4.911 -0.608 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.550 7.511 0.593 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.546 5.464 1.523 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.508 6.576 2.476 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.481 4.089 1.049 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.328 4.320 2.779 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.621 6.609 -0.644 1.00 0.44 N ATOM 2964 CA VAL B 87 0.675 7.108 -1.098 1.00 0.46 C ATOM 2965 C VAL B 87 0.588 7.831 -2.447 1.00 0.46 C ATOM 2966 O VAL B 87 1.608 8.235 -3.005 1.00 0.54 O ATOM 2967 CB VAL B 87 1.755 5.992 -1.159 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.090 6.549 -0.703 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.376 4.786 -0.303 1.00 0.81 C ATOM 0 H VAL B 87 -0.757 5.608 -0.782 1.00 0.44 H new ATOM 0 HA VAL B 87 0.983 7.835 -0.346 1.00 0.46 H new ATOM 0 HB VAL B 87 1.827 5.653 -2.192 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.846 5.765 -0.747 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.383 7.372 -1.355 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.002 6.912 0.321 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.158 4.030 -0.374 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.265 5.097 0.736 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.434 4.369 -0.659 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.630 7.998 -2.967 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.840 8.687 -4.241 1.00 0.51 C ATOM 2981 C ARG B 88 -0.841 10.207 -4.060 1.00 0.50 C ATOM 2982 O ARG B 88 -0.111 10.921 -4.744 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.153 8.215 -4.869 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.280 8.535 -6.349 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.448 10.026 -6.589 1.00 1.33 C ATOM 2986 NE ARG B 88 -2.823 10.316 -7.969 1.00 1.83 N ATOM 2987 CZ ARG B 88 -2.827 11.539 -8.489 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -2.475 12.579 -7.746 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -3.183 11.722 -9.753 1.00 3.50 N ATOM 0 H ARG B 88 -1.486 7.665 -2.524 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.014 8.440 -4.909 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.243 7.137 -4.732 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.985 8.675 -4.336 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.394 8.179 -6.876 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -3.134 8.001 -6.765 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.210 10.419 -5.916 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -1.517 10.539 -6.350 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.097 9.537 -8.568 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -2.200 12.441 -6.773 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -2.479 13.517 -8.147 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.454 10.924 -10.327 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -3.186 12.661 -10.151 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.668 10.692 -3.138 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.759 12.123 -2.854 1.00 0.49 C ATOM 3005 C LYS B 89 -0.618 12.518 -1.957 1.00 0.48 C ATOM 3006 O LYS B 89 -0.065 13.614 -2.050 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.064 12.463 -2.144 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.400 11.528 -0.984 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.650 10.702 -1.289 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.607 10.023 -2.659 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.907 9.381 -2.998 1.00 3.29 N ATOM 0 H LYS B 89 -2.288 10.113 -2.572 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.720 12.661 -3.801 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.007 13.485 -1.769 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.878 12.435 -2.868 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.558 10.863 -0.793 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.558 12.111 -0.077 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.771 9.941 -0.518 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.526 11.349 -1.239 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -4.355 10.759 -3.422 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.817 9.272 -2.668 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.777 8.739 -3.806 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -6.252 8.841 -2.179 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -6.602 10.114 -3.247 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.282 11.593 -1.082 1.00 0.47 N ATOM 3026 CA GLU B 90 0.787 11.769 -0.148 1.00 0.52 C ATOM 3027 C GLU B 90 2.102 11.949 -0.896 1.00 0.56 C ATOM 3028 O GLU B 90 3.104 12.363 -0.317 1.00 0.62 O ATOM 3029 CB GLU B 90 0.815 10.554 0.762 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.344 10.524 1.739 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.265 9.347 2.694 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -0.539 8.208 2.259 1.00 1.93 O ATOM 3033 OE2 GLU B 90 0.071 9.563 3.877 1.00 1.93 O ATOM 0 H GLU B 90 -0.754 10.692 -1.006 1.00 0.47 H new ATOM 0 HA GLU B 90 0.638 12.663 0.457 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.795 9.650 0.154 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.753 10.544 1.318 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.358 11.452 2.311 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -1.282 10.477 1.185 1.00 0.62 H new ATOM 3040 N LYS B 91 2.098 11.618 -2.191 1.00 0.54 N ATOM 3041 CA LYS B 91 3.277 11.788 -3.008 1.00 0.61 C ATOM 3042 C LYS B 91 3.724 13.242 -2.967 1.00 0.63 C ATOM 3043 O LYS B 91 4.873 13.537 -2.663 1.00 0.70 O ATOM 3044 CB LYS B 91 3.012 11.334 -4.447 1.00 0.62 C ATOM 3045 CG LYS B 91 2.237 12.333 -5.296 1.00 0.61 C ATOM 3046 CD LYS B 91 1.935 11.774 -6.678 1.00 0.67 C ATOM 3047 CE LYS B 91 1.067 12.726 -7.486 1.00 0.70 C ATOM 3048 NZ LYS B 91 0.758 12.183 -8.838 1.00 1.38 N ATOM 0 H LYS B 91 1.291 11.234 -2.683 1.00 0.54 H new ATOM 0 HA LYS B 91 4.077 11.165 -2.609 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.967 11.130 -4.931 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.460 10.394 -4.422 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.304 12.591 -4.795 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.812 13.254 -5.393 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.869 11.591 -7.210 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.430 10.813 -6.581 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.137 12.914 -6.949 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.576 13.684 -7.587 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.165 12.861 -9.357 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.644 12.027 -9.360 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.250 11.281 -8.742 1.00 1.38 H new ATOM 3062 N ALA B 92 2.800 14.148 -3.254 1.00 0.60 N ATOM 3063 CA ALA B 92 3.107 15.574 -3.243 1.00 0.65 C ATOM 3064 C ALA B 92 3.062 16.149 -1.833 1.00 0.63 C ATOM 3065 O ALA B 92 3.755 17.120 -1.532 1.00 0.69 O ATOM 3066 CB ALA B 92 2.156 16.328 -4.159 1.00 0.73 C ATOM 0 H ALA B 92 1.835 13.924 -3.497 1.00 0.60 H new ATOM 0 HA ALA B 92 4.125 15.697 -3.614 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.398 17.391 -4.140 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.256 15.951 -5.177 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.131 16.183 -3.818 1.00 0.73 H new ATOM 3072 N LEU B 93 2.250 15.551 -0.971 1.00 0.62 N ATOM 3073 CA LEU B 93 2.133 16.024 0.401 1.00 0.65 C ATOM 3074 C LEU B 93 3.328 15.574 1.227 1.00 0.59 C ATOM 3075 O LEU B 93 3.731 16.246 2.177 1.00 0.63 O ATOM 3076 CB LEU B 93 0.842 15.523 1.041 1.00 0.74 C ATOM 3077 CG LEU B 93 0.491 16.198 2.365 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -1.016 16.314 2.520 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.091 15.428 3.533 1.00 0.95 C ATOM 0 H LEU B 93 1.667 14.744 -1.195 1.00 0.62 H new ATOM 0 HA LEU B 93 2.110 17.114 0.378 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.021 15.675 0.341 1.00 0.74 H new ATOM 0 HB3 LEU B 93 0.926 14.449 1.206 1.00 0.74 H new ATOM 0 HG LEU B 93 0.915 17.202 2.362 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -1.248 16.797 3.469 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -1.421 16.909 1.701 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.461 15.319 2.501 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.830 15.924 4.468 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.697 14.412 3.539 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.176 15.396 3.429 1.00 0.95 H new ATOM 3091 N GLY B 94 3.893 14.432 0.853 1.00 0.53 N ATOM 3092 CA GLY B 94 5.046 13.895 1.552 1.00 0.51 C ATOM 3093 C GLY B 94 6.057 14.954 1.898 1.00 0.52 C ATOM 3094 O GLY B 94 6.728 14.880 2.927 1.00 0.57 O ATOM 0 H GLY B 94 3.569 13.863 0.070 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.715 13.401 2.466 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.520 13.134 0.932 1.00 0.51 H new ATOM 3098 N ILE B 95 6.172 15.929 1.009 1.00 0.53 N ATOM 3099 CA ILE B 95 7.115 17.017 1.181 1.00 0.57 C ATOM 3100 C ILE B 95 6.749 17.886 2.370 1.00 0.60 C ATOM 3101 O ILE B 95 6.451 19.070 2.218 1.00 0.67 O ATOM 3102 CB ILE B 95 7.176 17.892 -0.077 1.00 0.63 C ATOM 3103 CG1 ILE B 95 8.275 18.946 0.056 1.00 1.32 C ATOM 3104 CG2 ILE B 95 5.826 18.537 -0.326 1.00 1.13 C ATOM 3105 CD1 ILE B 95 9.657 18.424 -0.277 1.00 1.68 C ATOM 0 H ILE B 95 5.617 15.986 0.155 1.00 0.53 H new ATOM 0 HA ILE B 95 8.091 16.567 1.359 1.00 0.57 H new ATOM 0 HB ILE B 95 7.419 17.264 -0.934 1.00 0.63 H new ATOM 0 HG12 ILE B 95 8.044 19.785 -0.601 1.00 1.32 H new ATOM 0 HG13 ILE B 95 8.277 19.331 1.076 1.00 1.32 H new ATOM 0 HG21 ILE B 95 5.878 19.157 -1.221 1.00 1.13 H new ATOM 0 HG22 ILE B 95 5.072 17.762 -0.465 1.00 1.13 H new ATOM 0 HG23 ILE B 95 5.556 19.157 0.529 1.00 1.13 H new ATOM 0 HD11 ILE B 95 10.386 19.226 -0.161 1.00 1.68 H new ATOM 0 HD12 ILE B 95 9.908 17.605 0.396 1.00 1.68 H new ATOM 0 HD13 ILE B 95 9.672 18.066 -1.306 1.00 1.68 H new ATOM 3117 N ARG B 96 6.767 17.298 3.556 1.00 0.64 N ATOM 3118 CA ARG B 96 6.447 18.047 4.753 1.00 0.74 C ATOM 3119 C ARG B 96 7.473 19.153 4.928 1.00 0.82 C ATOM 3120 O ARG B 96 7.194 20.198 5.516 1.00 0.93 O ATOM 3121 CB ARG B 96 6.425 17.140 5.980 1.00 0.84 C ATOM 3122 CG ARG B 96 5.470 17.629 7.051 1.00 1.65 C ATOM 3123 CD ARG B 96 4.037 17.230 6.733 1.00 2.45 C ATOM 3124 NE ARG B 96 3.843 15.786 6.808 1.00 2.91 N ATOM 3125 CZ ARG B 96 2.650 15.202 6.808 1.00 3.85 C ATOM 3126 NH1 ARG B 96 1.548 15.937 6.743 1.00 4.47 N ATOM 3127 NH2 ARG B 96 2.556 13.880 6.874 1.00 4.48 N ATOM 0 H ARG B 96 6.997 16.317 3.711 1.00 0.64 H new ATOM 0 HA ARG B 96 5.452 18.480 4.649 1.00 0.74 H new ATOM 0 HB2 ARG B 96 6.140 16.132 5.677 1.00 0.84 H new ATOM 0 HB3 ARG B 96 7.430 17.075 6.397 1.00 0.84 H new ATOM 0 HG2 ARG B 96 5.760 17.215 8.017 1.00 1.65 H new ATOM 0 HG3 ARG B 96 5.538 18.714 7.135 1.00 1.65 H new ATOM 0 HD2 ARG B 96 3.360 17.724 7.430 1.00 2.45 H new ATOM 0 HD3 ARG B 96 3.776 17.580 5.734 1.00 2.45 H new ATOM 0 HE ARG B 96 4.670 15.191 6.864 1.00 2.91 H new ATOM 0 HH11 ARG B 96 1.615 16.954 6.693 1.00 4.47 H new ATOM 0 HH12 ARG B 96 0.633 15.486 6.743 1.00 4.47 H new ATOM 0 HH21 ARG B 96 3.401 13.311 6.925 1.00 4.48 H new ATOM 0 HH22 ARG B 96 1.639 13.433 6.874 1.00 4.48 H new ATOM 3141 N LYS B 97 8.671 18.904 4.404 1.00 0.82 N ATOM 3142 CA LYS B 97 9.746 19.872 4.459 1.00 0.94 C ATOM 3143 C LYS B 97 9.738 20.706 3.184 1.00 0.93 C ATOM 3144 O LYS B 97 10.478 20.428 2.240 1.00 0.98 O ATOM 3145 CB LYS B 97 11.092 19.153 4.619 1.00 1.07 C ATOM 3146 CG LYS B 97 11.413 18.186 3.486 1.00 1.00 C ATOM 3147 CD LYS B 97 12.098 16.933 3.991 1.00 1.56 C ATOM 3148 CE LYS B 97 11.252 15.693 3.762 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.148 15.576 4.754 1.00 2.90 N ATOM 0 H LYS B 97 8.915 18.032 3.935 1.00 0.82 H new ATOM 0 HA LYS B 97 9.602 20.529 5.317 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.885 19.898 4.684 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.091 18.606 5.562 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.493 17.914 2.969 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.054 18.681 2.756 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.057 16.816 3.487 1.00 1.56 H new ATOM 0 HD3 LYS B 97 12.308 17.038 5.056 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.833 15.721 2.756 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.885 14.807 3.819 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 9.481 14.840 4.446 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 10.541 15.320 5.682 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 9.650 16.486 4.828 1.00 2.90 H new ATOM 3163 N LYS B 98 8.885 21.725 3.161 1.00 0.96 N ATOM 3164 CA LYS B 98 8.767 22.598 2.000 1.00 1.06 C ATOM 3165 C LYS B 98 9.493 23.917 2.242 1.00 1.21 C ATOM 3166 O LYS B 98 8.843 24.869 2.724 1.00 1.61 O ATOM 3167 CB LYS B 98 7.294 22.869 1.673 1.00 1.07 C ATOM 3168 CG LYS B 98 6.471 21.617 1.392 1.00 1.07 C ATOM 3169 CD LYS B 98 5.431 21.871 0.313 1.00 1.52 C ATOM 3170 CE LYS B 98 6.056 21.839 -1.073 1.00 2.00 C ATOM 3171 NZ LYS B 98 5.057 22.125 -2.141 1.00 2.73 N ATOM 3172 OXT LYS B 98 10.705 23.988 1.949 1.00 1.70 O ATOM 0 H LYS B 98 8.265 21.966 3.934 1.00 0.96 H new ATOM 0 HA LYS B 98 9.228 22.092 1.152 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.842 23.407 2.507 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.242 23.526 0.805 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.131 20.807 1.081 1.00 1.07 H new ATOM 0 HG3 LYS B 98 5.977 21.291 2.307 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.645 21.118 0.378 1.00 1.52 H new ATOM 0 HD3 LYS B 98 4.959 22.839 0.480 1.00 1.52 H new ATOM 0 HE2 LYS B 98 6.862 22.571 -1.125 1.00 2.00 H new ATOM 0 HE3 LYS B 98 6.503 20.860 -1.247 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 5.523 22.094 -3.070 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 4.301 21.412 -2.109 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 4.649 23.070 -1.990 1.00 2.73 H new