USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00696 USER MOD Single : A 98 SER OG : rot 180:sc= -0.412 USER MOD Single : A 103 MET CE :methyl -166:sc= 0 (180deg=-0.279) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.47! C(o=-3.5!,f=-7.7!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 148:sc= -0.263 (180deg=-1.47!) USER MOD Single : A 120 MET CE :methyl -134:sc= 0 (180deg=-0.723) USER MOD Single : A 122 GLN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -170:sc= -0.914 USER MOD Single : A 137 MET CE :methyl 175:sc= -0.228 (180deg=-0.292) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.38 K(o=-1.4,f=-8.8!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 157 MET CE :methyl -114:sc= -0.114 (180deg=-1.4) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 53.642 -21.961 5.311 1.00 7.24 N ATOM 2 CA LYS A 86 53.293 -22.206 6.740 1.00 7.10 C ATOM 3 C LYS A 86 54.450 -21.778 7.647 1.00 6.94 C ATOM 4 O LYS A 86 54.249 -21.366 8.772 1.00 7.49 O ATOM 5 CB LYS A 86 53.064 -23.715 6.837 1.00 7.61 C ATOM 6 CG LYS A 86 52.408 -24.048 8.179 1.00 8.01 C ATOM 7 CD LYS A 86 53.161 -25.203 8.844 1.00 8.72 C ATOM 8 CE LYS A 86 54.611 -24.785 9.103 1.00 9.14 C ATOM 9 NZ LYS A 86 54.619 -24.277 10.503 1.00 9.95 N ATOM 0 HA LYS A 86 52.417 -21.640 7.056 1.00 7.10 H new ATOM 0 HB2 LYS A 86 52.429 -24.050 6.017 1.00 7.61 H new ATOM 0 HB3 LYS A 86 54.012 -24.244 6.743 1.00 7.61 H new ATOM 0 HG2 LYS A 86 52.418 -23.172 8.828 1.00 8.01 H new ATOM 0 HG3 LYS A 86 51.364 -24.320 8.027 1.00 8.01 H new ATOM 0 HD2 LYS A 86 52.677 -25.475 9.782 1.00 8.72 H new ATOM 0 HD3 LYS A 86 53.134 -26.085 8.204 1.00 8.72 H new ATOM 0 HE2 LYS A 86 55.292 -25.628 8.985 1.00 9.14 H new ATOM 0 HE3 LYS A 86 54.932 -24.015 8.401 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 55.580 -23.971 10.756 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 53.966 -23.471 10.584 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 54.316 -25.034 11.149 1.00 9.95 H new ATOM 25 N ASP A 87 55.659 -21.871 7.166 1.00 6.50 N ATOM 26 CA ASP A 87 56.827 -21.468 7.999 1.00 6.70 C ATOM 27 C ASP A 87 57.262 -20.043 7.646 1.00 6.03 C ATOM 28 O ASP A 87 57.335 -19.177 8.495 1.00 6.49 O ATOM 29 CB ASP A 87 57.929 -22.468 7.644 1.00 7.25 C ATOM 30 CG ASP A 87 58.431 -23.147 8.920 1.00 7.77 C ATOM 31 OD1 ASP A 87 58.090 -22.676 9.992 1.00 8.06 O ATOM 32 OD2 ASP A 87 59.150 -24.126 8.801 1.00 8.12 O ATOM 0 H ASP A 87 55.889 -22.209 6.231 1.00 6.50 H new ATOM 0 HA ASP A 87 56.597 -21.475 9.064 1.00 6.70 H new ATOM 0 HB2 ASP A 87 57.547 -23.215 6.948 1.00 7.25 H new ATOM 0 HB3 ASP A 87 58.751 -21.957 7.143 1.00 7.25 H new ATOM 37 N ASP A 88 57.548 -19.794 6.398 1.00 5.23 N ATOM 38 CA ASP A 88 57.976 -18.426 5.990 1.00 5.00 C ATOM 39 C ASP A 88 56.893 -17.766 5.133 1.00 4.51 C ATOM 40 O ASP A 88 56.974 -16.597 4.815 1.00 4.82 O ATOM 41 CB ASP A 88 59.250 -18.637 5.172 1.00 5.14 C ATOM 42 CG ASP A 88 58.901 -19.318 3.847 1.00 5.52 C ATOM 43 OD1 ASP A 88 58.521 -18.615 2.925 1.00 5.85 O ATOM 44 OD2 ASP A 88 59.017 -20.530 3.778 1.00 5.82 O ATOM 0 H ASP A 88 57.504 -20.478 5.643 1.00 5.23 H new ATOM 0 HA ASP A 88 58.144 -17.774 6.847 1.00 5.00 H new ATOM 0 HB2 ASP A 88 59.736 -17.680 4.984 1.00 5.14 H new ATOM 0 HB3 ASP A 88 59.957 -19.249 5.732 1.00 5.14 H new ATOM 49 N SER A 89 55.882 -18.515 4.762 1.00 4.24 N ATOM 50 CA SER A 89 54.770 -17.963 3.919 1.00 4.26 C ATOM 51 C SER A 89 55.208 -17.875 2.454 1.00 3.50 C ATOM 52 O SER A 89 54.737 -18.613 1.612 1.00 3.81 O ATOM 53 CB SER A 89 54.466 -16.571 4.479 1.00 5.08 C ATOM 54 OG SER A 89 53.059 -16.408 4.590 1.00 5.76 O ATOM 0 H SER A 89 55.778 -19.499 5.010 1.00 4.24 H new ATOM 0 HA SER A 89 53.887 -18.601 3.950 1.00 4.26 H new ATOM 0 HB2 SER A 89 54.936 -16.448 5.455 1.00 5.08 H new ATOM 0 HB3 SER A 89 54.882 -15.804 3.826 1.00 5.08 H new ATOM 0 HG SER A 89 52.860 -15.518 4.950 1.00 5.76 H new ATOM 60 N LYS A 90 56.103 -16.981 2.142 1.00 3.10 N ATOM 61 CA LYS A 90 56.568 -16.851 0.730 1.00 3.08 C ATOM 62 C LYS A 90 58.084 -16.650 0.692 1.00 2.72 C ATOM 63 O LYS A 90 58.684 -16.187 1.642 1.00 3.21 O ATOM 64 CB LYS A 90 55.849 -15.617 0.188 1.00 3.94 C ATOM 65 CG LYS A 90 54.365 -15.937 -0.010 1.00 4.74 C ATOM 66 CD LYS A 90 53.794 -15.046 -1.114 1.00 5.61 C ATOM 67 CE LYS A 90 52.277 -14.934 -0.948 1.00 6.53 C ATOM 68 NZ LYS A 90 51.919 -13.628 -1.571 1.00 7.32 N ATOM 0 H LYS A 90 56.534 -16.334 2.802 1.00 3.10 H new ATOM 0 HA LYS A 90 56.350 -17.740 0.139 1.00 3.08 H new ATOM 0 HB2 LYS A 90 55.963 -14.783 0.881 1.00 3.94 H new ATOM 0 HB3 LYS A 90 56.295 -15.309 -0.758 1.00 3.94 H new ATOM 0 HG2 LYS A 90 54.241 -16.987 -0.275 1.00 4.74 H new ATOM 0 HG3 LYS A 90 53.820 -15.776 0.920 1.00 4.74 H new ATOM 0 HD2 LYS A 90 54.249 -14.057 -1.069 1.00 5.61 H new ATOM 0 HD3 LYS A 90 54.033 -15.463 -2.092 1.00 5.61 H new ATOM 0 HE2 LYS A 90 51.764 -15.760 -1.440 1.00 6.53 H new ATOM 0 HE3 LYS A 90 51.991 -14.962 0.104 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 50.893 -13.478 -1.497 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 52.418 -12.860 -1.078 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 52.197 -13.634 -2.573 1.00 7.32 H new ATOM 82 N GLY A 91 58.710 -16.995 -0.400 1.00 2.57 N ATOM 83 CA GLY A 91 60.187 -16.826 -0.498 1.00 2.96 C ATOM 84 C GLY A 91 60.515 -15.365 -0.810 1.00 2.68 C ATOM 85 O GLY A 91 60.570 -14.963 -1.955 1.00 2.94 O ATOM 0 H GLY A 91 58.262 -17.387 -1.228 1.00 2.57 H new ATOM 0 HA2 GLY A 91 60.660 -17.124 0.437 1.00 2.96 H new ATOM 0 HA3 GLY A 91 60.587 -17.474 -1.278 1.00 2.96 H new ATOM 89 N LYS A 92 60.735 -14.567 0.199 1.00 2.54 N ATOM 90 CA LYS A 92 61.062 -13.132 -0.040 1.00 2.34 C ATOM 91 C LYS A 92 62.447 -12.806 0.522 1.00 2.22 C ATOM 92 O LYS A 92 62.597 -11.962 1.384 1.00 2.57 O ATOM 93 CB LYS A 92 59.987 -12.348 0.708 1.00 2.51 C ATOM 94 CG LYS A 92 60.048 -10.877 0.293 1.00 2.46 C ATOM 95 CD LYS A 92 58.684 -10.439 -0.243 1.00 2.69 C ATOM 96 CE LYS A 92 57.910 -9.714 0.860 1.00 2.82 C ATOM 97 NZ LYS A 92 56.647 -9.266 0.211 1.00 3.39 N ATOM 0 H LYS A 92 60.702 -14.847 1.179 1.00 2.54 H new ATOM 0 HA LYS A 92 61.081 -12.886 -1.102 1.00 2.34 H new ATOM 0 HB2 LYS A 92 59.002 -12.759 0.487 1.00 2.51 H new ATOM 0 HB3 LYS A 92 60.137 -12.440 1.784 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.331 -10.259 1.146 1.00 2.46 H new ATOM 0 HG3 LYS A 92 60.813 -10.735 -0.471 1.00 2.46 H new ATOM 0 HD2 LYS A 92 58.813 -9.782 -1.103 1.00 2.69 H new ATOM 0 HD3 LYS A 92 58.121 -11.307 -0.587 1.00 2.69 H new ATOM 0 HE2 LYS A 92 57.708 -10.376 1.702 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.476 -8.868 1.249 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 56.061 -8.759 0.905 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 56.870 -8.632 -0.582 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 56.126 -10.094 -0.143 1.00 3.39 H new ATOM 111 N THR A 93 63.459 -13.472 0.044 1.00 1.93 N ATOM 112 CA THR A 93 64.836 -13.206 0.550 1.00 1.88 C ATOM 113 C THR A 93 65.472 -12.051 -0.229 1.00 1.62 C ATOM 114 O THR A 93 64.806 -11.329 -0.943 1.00 1.47 O ATOM 115 CB THR A 93 65.606 -14.505 0.305 1.00 1.99 C ATOM 116 OG1 THR A 93 65.590 -14.808 -1.083 1.00 2.05 O ATOM 117 CG2 THR A 93 64.948 -15.644 1.086 1.00 2.53 C ATOM 0 H THR A 93 63.394 -14.191 -0.677 1.00 1.93 H new ATOM 0 HA THR A 93 64.841 -12.921 1.602 1.00 1.88 H new ATOM 0 HB THR A 93 66.637 -14.386 0.639 1.00 1.99 H new ATOM 0 HG1 THR A 93 66.084 -15.639 -1.242 1.00 2.05 H new ATOM 0 HG21 THR A 93 65.497 -16.569 0.911 1.00 2.53 H new ATOM 0 HG22 THR A 93 64.961 -15.410 2.151 1.00 2.53 H new ATOM 0 HG23 THR A 93 63.917 -15.765 0.753 1.00 2.53 H new ATOM 125 N GLU A 94 66.758 -11.874 -0.098 1.00 1.64 N ATOM 126 CA GLU A 94 67.438 -10.767 -0.830 1.00 1.49 C ATOM 127 C GLU A 94 67.065 -10.806 -2.315 1.00 1.41 C ATOM 128 O GLU A 94 67.098 -9.804 -3.001 1.00 1.36 O ATOM 129 CB GLU A 94 68.932 -11.032 -0.647 1.00 1.64 C ATOM 130 CG GLU A 94 69.292 -10.928 0.836 1.00 1.85 C ATOM 131 CD GLU A 94 69.344 -9.455 1.246 1.00 2.27 C ATOM 132 OE1 GLU A 94 70.249 -8.769 0.801 1.00 2.83 O ATOM 133 OE2 GLU A 94 68.478 -9.038 1.997 1.00 2.65 O ATOM 0 H GLU A 94 67.368 -12.448 0.484 1.00 1.64 H new ATOM 0 HA GLU A 94 67.148 -9.785 -0.456 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.185 -12.023 -1.025 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.513 -10.313 -1.224 1.00 1.64 H new ATOM 0 HG2 GLU A 94 68.554 -11.458 1.438 1.00 1.85 H new ATOM 0 HG3 GLU A 94 70.256 -11.402 1.021 1.00 1.85 H new ATOM 140 N GLU A 95 66.711 -11.958 -2.817 1.00 1.47 N ATOM 141 CA GLU A 95 66.336 -12.062 -4.256 1.00 1.49 C ATOM 142 C GLU A 95 65.077 -11.237 -4.536 1.00 1.39 C ATOM 143 O GLU A 95 65.024 -10.466 -5.474 1.00 1.40 O ATOM 144 CB GLU A 95 66.065 -13.549 -4.488 1.00 1.68 C ATOM 145 CG GLU A 95 66.130 -13.854 -5.985 1.00 2.03 C ATOM 146 CD GLU A 95 65.487 -15.215 -6.257 1.00 2.24 C ATOM 147 OE1 GLU A 95 65.873 -16.171 -5.606 1.00 2.56 O ATOM 148 OE2 GLU A 95 64.618 -15.277 -7.112 1.00 2.72 O ATOM 0 H GLU A 95 66.665 -12.832 -2.293 1.00 1.47 H new ATOM 0 HA GLU A 95 67.117 -11.682 -4.915 1.00 1.49 H new ATOM 0 HB2 GLU A 95 66.799 -14.151 -3.952 1.00 1.68 H new ATOM 0 HB3 GLU A 95 65.084 -13.816 -4.094 1.00 1.68 H new ATOM 0 HG2 GLU A 95 65.613 -13.077 -6.548 1.00 2.03 H new ATOM 0 HG3 GLU A 95 67.167 -13.856 -6.322 1.00 2.03 H new ATOM 155 N GLU A 96 64.062 -11.392 -3.729 1.00 1.38 N ATOM 156 CA GLU A 96 62.809 -10.616 -3.951 1.00 1.34 C ATOM 157 C GLU A 96 62.916 -9.238 -3.292 1.00 1.16 C ATOM 158 O GLU A 96 62.019 -8.424 -3.385 1.00 1.07 O ATOM 159 CB GLU A 96 61.709 -11.445 -3.288 1.00 1.51 C ATOM 160 CG GLU A 96 61.049 -12.348 -4.332 1.00 2.07 C ATOM 161 CD GLU A 96 60.256 -11.491 -5.320 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.138 -11.126 -4.993 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.779 -11.215 -6.387 1.00 2.60 O ATOM 0 H GLU A 96 64.047 -12.022 -2.927 1.00 1.38 H new ATOM 0 HA GLU A 96 62.610 -10.446 -5.009 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.129 -12.049 -2.483 1.00 1.51 H new ATOM 0 HB3 GLU A 96 60.965 -10.788 -2.838 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.808 -12.924 -4.862 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.388 -13.064 -3.843 1.00 2.07 H new ATOM 170 N LEU A 97 64.007 -8.972 -2.627 1.00 1.14 N ATOM 171 CA LEU A 97 64.172 -7.647 -1.963 1.00 0.99 C ATOM 172 C LEU A 97 64.620 -6.597 -2.984 1.00 0.82 C ATOM 173 O LEU A 97 63.947 -5.612 -3.212 1.00 0.70 O ATOM 174 CB LEU A 97 65.257 -7.865 -0.908 1.00 1.03 C ATOM 175 CG LEU A 97 64.608 -8.049 0.465 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.563 -8.814 1.383 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.307 -6.677 1.074 1.00 1.71 C ATOM 0 H LEU A 97 64.791 -9.614 -2.515 1.00 1.14 H new ATOM 0 HA LEU A 97 63.242 -7.287 -1.523 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.853 -8.742 -1.160 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.936 -7.013 -0.889 1.00 1.03 H new ATOM 0 HG LEU A 97 63.681 -8.611 0.356 1.00 1.31 H new ATOM 0 HD11 LEU A 97 65.100 -8.945 2.361 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.779 -9.791 0.950 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.491 -8.252 1.493 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.844 -6.807 2.052 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.235 -6.116 1.183 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.627 -6.130 0.421 1.00 1.71 H new ATOM 189 N SER A 98 65.753 -6.801 -3.598 1.00 0.87 N ATOM 190 CA SER A 98 66.244 -5.815 -4.603 1.00 0.78 C ATOM 191 C SER A 98 65.201 -5.621 -5.708 1.00 0.75 C ATOM 192 O SER A 98 64.812 -4.513 -6.020 1.00 0.74 O ATOM 193 CB SER A 98 67.520 -6.434 -5.174 1.00 0.93 C ATOM 194 OG SER A 98 67.179 -7.561 -5.970 1.00 1.41 O ATOM 0 H SER A 98 66.360 -7.607 -3.448 1.00 0.87 H new ATOM 0 HA SER A 98 66.427 -4.834 -4.164 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.057 -5.700 -5.774 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.186 -6.734 -4.365 1.00 0.93 H new ATOM 0 HG SER A 98 67.995 -7.960 -6.339 1.00 1.41 H new ATOM 200 N ASP A 99 64.746 -6.691 -6.302 1.00 0.80 N ATOM 201 CA ASP A 99 63.729 -6.565 -7.385 1.00 0.82 C ATOM 202 C ASP A 99 62.549 -5.714 -6.907 1.00 0.77 C ATOM 203 O ASP A 99 62.003 -4.922 -7.648 1.00 0.77 O ATOM 204 CB ASP A 99 63.277 -7.999 -7.671 1.00 0.93 C ATOM 205 CG ASP A 99 64.332 -8.706 -8.525 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.348 -9.094 -7.973 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.104 -8.845 -9.715 1.00 2.18 O ATOM 0 H ASP A 99 65.034 -7.645 -6.085 1.00 0.80 H new ATOM 0 HA ASP A 99 64.130 -6.079 -8.274 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.130 -8.539 -6.735 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.318 -7.993 -8.190 1.00 0.93 H new ATOM 212 N LEU A 100 62.155 -5.871 -5.674 1.00 0.77 N ATOM 213 CA LEU A 100 61.012 -5.068 -5.148 1.00 0.77 C ATOM 214 C LEU A 100 61.383 -3.583 -5.113 1.00 0.64 C ATOM 215 O LEU A 100 60.556 -2.722 -5.340 1.00 0.64 O ATOM 216 CB LEU A 100 60.775 -5.598 -3.734 1.00 0.85 C ATOM 217 CG LEU A 100 59.641 -6.624 -3.758 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.481 -7.246 -2.369 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.337 -5.929 -4.156 1.00 1.57 C ATOM 0 H LEU A 100 62.573 -6.520 -5.007 1.00 0.77 H new ATOM 0 HA LEU A 100 60.121 -5.157 -5.770 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.686 -6.056 -3.348 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.522 -4.776 -3.064 1.00 0.85 H new ATOM 0 HG LEU A 100 59.875 -7.406 -4.480 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.672 -7.977 -2.388 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.409 -7.740 -2.082 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.247 -6.465 -1.645 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.527 -6.658 -4.174 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.106 -5.147 -3.432 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.448 -5.486 -5.146 1.00 1.57 H new ATOM 231 N PHE A 101 62.620 -3.275 -4.833 1.00 0.60 N ATOM 232 CA PHE A 101 63.042 -1.846 -4.785 1.00 0.53 C ATOM 233 C PHE A 101 62.824 -1.183 -6.147 1.00 0.49 C ATOM 234 O PHE A 101 62.060 -0.246 -6.278 1.00 0.61 O ATOM 235 CB PHE A 101 64.532 -1.884 -4.440 1.00 0.57 C ATOM 236 CG PHE A 101 65.105 -0.489 -4.523 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.474 0.045 -5.764 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.269 0.270 -3.359 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.006 1.338 -5.839 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.802 1.562 -3.435 1.00 1.23 C ATOM 241 CZ PHE A 101 66.170 2.095 -4.675 1.00 0.40 C ATOM 0 H PHE A 101 63.357 -3.952 -4.635 1.00 0.60 H new ATOM 0 HA PHE A 101 62.469 -1.271 -4.057 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.674 -2.288 -3.437 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.058 -2.546 -5.127 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.348 -0.540 -6.663 1.00 1.31 H new ATOM 0 HD2 PHE A 101 64.984 -0.141 -2.402 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.290 1.751 -6.796 1.00 1.30 H new ATOM 0 HE2 PHE A 101 65.929 2.147 -2.536 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.581 3.092 -4.733 1.00 0.40 H new ATOM 251 N ARG A 102 63.489 -1.661 -7.163 1.00 0.53 N ATOM 252 CA ARG A 102 63.320 -1.056 -8.515 1.00 0.70 C ATOM 253 C ARG A 102 61.873 -1.216 -8.989 1.00 0.80 C ATOM 254 O ARG A 102 61.377 -0.434 -9.777 1.00 1.09 O ATOM 255 CB ARG A 102 64.271 -1.838 -9.423 1.00 0.87 C ATOM 256 CG ARG A 102 63.901 -3.321 -9.391 1.00 1.28 C ATOM 257 CD ARG A 102 63.046 -3.661 -10.615 1.00 1.83 C ATOM 258 NE ARG A 102 62.995 -5.148 -10.647 1.00 2.26 N ATOM 259 CZ ARG A 102 62.314 -5.760 -11.577 1.00 2.89 C ATOM 260 NH1 ARG A 102 61.589 -5.073 -12.419 1.00 3.68 N ATOM 261 NH2 ARG A 102 62.357 -7.061 -11.665 1.00 3.22 N ATOM 0 H ARG A 102 64.141 -2.444 -7.116 1.00 0.53 H new ATOM 0 HA ARG A 102 63.540 0.012 -8.519 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.211 -1.459 -10.443 1.00 0.87 H new ATOM 0 HB3 ARG A 102 65.301 -1.702 -9.093 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.804 -3.932 -9.384 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.354 -3.550 -8.477 1.00 1.28 H new ATOM 0 HD2 ARG A 102 62.047 -3.233 -10.530 1.00 1.83 H new ATOM 0 HD3 ARG A 102 63.487 -3.261 -11.528 1.00 1.83 H new ATOM 0 HE ARG A 102 63.493 -5.690 -9.941 1.00 2.26 H new ATOM 0 HH11 ARG A 102 61.554 -4.056 -12.350 1.00 3.68 H new ATOM 0 HH12 ARG A 102 61.058 -5.554 -13.145 1.00 3.68 H new ATOM 0 HH21 ARG A 102 62.922 -7.598 -11.008 1.00 3.22 H new ATOM 0 HH22 ARG A 102 61.825 -7.541 -12.391 1.00 3.22 H new ATOM 275 N MET A 103 61.191 -2.223 -8.516 1.00 0.68 N ATOM 276 CA MET A 103 59.776 -2.430 -8.939 1.00 0.81 C ATOM 277 C MET A 103 58.859 -1.437 -8.222 1.00 0.79 C ATOM 278 O MET A 103 57.756 -1.169 -8.657 1.00 0.90 O ATOM 279 CB MET A 103 59.443 -3.864 -8.525 1.00 0.91 C ATOM 280 CG MET A 103 59.731 -4.812 -9.690 1.00 1.35 C ATOM 281 SD MET A 103 58.444 -6.082 -9.766 1.00 1.92 S ATOM 282 CE MET A 103 58.821 -6.880 -8.185 1.00 1.63 C ATOM 0 H MET A 103 61.552 -2.911 -7.855 1.00 0.68 H new ATOM 0 HA MET A 103 59.638 -2.273 -10.009 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.035 -4.149 -7.655 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.395 -3.936 -8.235 1.00 0.91 H new ATOM 0 HG2 MET A 103 59.763 -4.255 -10.627 1.00 1.35 H new ATOM 0 HG3 MET A 103 60.709 -5.277 -9.562 1.00 1.35 H new ATOM 0 HE1 MET A 103 58.314 -7.844 -8.134 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.897 -7.031 -8.101 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.479 -6.246 -7.367 1.00 1.63 H new ATOM 292 N PHE A 104 59.304 -0.891 -7.123 1.00 0.71 N ATOM 293 CA PHE A 104 58.453 0.083 -6.379 1.00 0.75 C ATOM 294 C PHE A 104 58.947 1.513 -6.618 1.00 0.68 C ATOM 295 O PHE A 104 58.277 2.471 -6.290 1.00 0.80 O ATOM 296 CB PHE A 104 58.609 -0.299 -4.907 1.00 0.76 C ATOM 297 CG PHE A 104 57.439 -1.153 -4.482 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.154 -0.600 -4.422 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.639 -2.497 -4.149 1.00 1.71 C ATOM 300 CE1 PHE A 104 55.069 -1.393 -4.029 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.554 -3.290 -3.756 1.00 2.03 C ATOM 302 CZ PHE A 104 55.269 -2.737 -3.695 1.00 1.76 C ATOM 0 H PHE A 104 60.217 -1.076 -6.708 1.00 0.71 H new ATOM 0 HA PHE A 104 57.412 0.051 -6.701 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.542 -0.842 -4.758 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.661 0.599 -4.291 1.00 0.76 H new ATOM 0 HD1 PHE A 104 56.000 0.438 -4.679 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.630 -2.923 -4.195 1.00 1.71 H new ATOM 0 HE1 PHE A 104 54.078 -0.967 -3.984 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.708 -4.328 -3.500 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.432 -3.348 -3.390 1.00 1.76 H new ATOM 312 N ASP A 105 60.113 1.665 -7.187 1.00 0.58 N ATOM 313 CA ASP A 105 60.642 3.036 -7.445 1.00 0.52 C ATOM 314 C ASP A 105 59.734 3.775 -8.429 1.00 0.52 C ATOM 315 O ASP A 105 59.953 3.755 -9.624 1.00 0.60 O ATOM 316 CB ASP A 105 62.031 2.822 -8.047 1.00 0.60 C ATOM 317 CG ASP A 105 62.797 4.149 -8.061 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.338 5.082 -7.422 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.830 4.208 -8.709 1.00 0.54 O ATOM 0 H ASP A 105 60.721 0.901 -7.484 1.00 0.58 H new ATOM 0 HA ASP A 105 60.684 3.640 -6.538 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.579 2.080 -7.466 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.942 2.431 -9.061 1.00 0.60 H new ATOM 324 N LYS A 106 58.717 4.427 -7.937 1.00 0.51 N ATOM 325 CA LYS A 106 57.798 5.168 -8.846 1.00 0.60 C ATOM 326 C LYS A 106 58.566 6.275 -9.569 1.00 0.59 C ATOM 327 O LYS A 106 58.297 6.585 -10.714 1.00 0.70 O ATOM 328 CB LYS A 106 56.728 5.762 -7.932 1.00 0.63 C ATOM 329 CG LYS A 106 55.579 4.764 -7.779 1.00 1.39 C ATOM 330 CD LYS A 106 54.263 5.436 -8.176 1.00 1.58 C ATOM 331 CE LYS A 106 54.154 5.484 -9.702 1.00 2.00 C ATOM 332 NZ LYS A 106 52.822 6.092 -9.977 1.00 2.79 N ATOM 0 H LYS A 106 58.483 4.479 -6.946 1.00 0.51 H new ATOM 0 HA LYS A 106 57.362 4.527 -9.612 1.00 0.60 H new ATOM 0 HB2 LYS A 106 57.155 5.994 -6.956 1.00 0.63 H new ATOM 0 HB3 LYS A 106 56.358 6.699 -8.348 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.757 3.890 -8.405 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.524 4.412 -6.749 1.00 1.39 H new ATOM 0 HD2 LYS A 106 53.421 4.885 -7.758 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.219 6.445 -7.766 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.957 6.080 -10.136 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.229 4.486 -10.134 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.676 6.158 -11.005 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.077 5.499 -9.558 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.782 7.044 -9.560 1.00 2.79 H new ATOM 346 N ASN A 107 59.524 6.868 -8.912 1.00 0.53 N ATOM 347 CA ASN A 107 60.311 7.951 -9.569 1.00 0.59 C ATOM 348 C ASN A 107 61.292 7.344 -10.576 1.00 0.60 C ATOM 349 O ASN A 107 61.825 8.026 -11.429 1.00 0.71 O ATOM 350 CB ASN A 107 61.065 8.636 -8.431 1.00 0.62 C ATOM 351 CG ASN A 107 61.995 9.707 -9.005 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.156 9.771 -8.654 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.529 10.558 -9.879 1.00 1.67 N ATOM 0 H ASN A 107 59.796 6.651 -7.953 1.00 0.53 H new ATOM 0 HA ASN A 107 59.681 8.651 -10.117 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.360 9.088 -7.734 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.642 7.901 -7.869 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.140 11.277 -10.267 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.554 10.504 -10.174 1.00 1.67 H new ATOM 360 N ALA A 108 61.529 6.064 -10.484 1.00 0.56 N ATOM 361 CA ALA A 108 62.472 5.406 -11.435 1.00 0.62 C ATOM 362 C ALA A 108 63.726 6.264 -11.623 1.00 0.64 C ATOM 363 O ALA A 108 63.976 6.791 -12.689 1.00 0.78 O ATOM 364 CB ALA A 108 61.697 5.296 -12.749 1.00 0.72 C ATOM 0 H ALA A 108 61.110 5.444 -9.791 1.00 0.56 H new ATOM 0 HA ALA A 108 62.806 4.433 -11.074 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.325 4.821 -13.503 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.800 4.697 -12.593 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.413 6.292 -13.089 1.00 0.72 H new ATOM 370 N ASP A 109 64.519 6.407 -10.597 1.00 0.57 N ATOM 371 CA ASP A 109 65.757 7.229 -10.720 1.00 0.63 C ATOM 372 C ASP A 109 66.924 6.543 -10.002 1.00 0.63 C ATOM 373 O ASP A 109 68.000 7.093 -9.884 1.00 0.76 O ATOM 374 CB ASP A 109 65.417 8.558 -10.044 1.00 0.62 C ATOM 375 CG ASP A 109 65.316 8.351 -8.532 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.762 7.341 -8.129 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.793 9.205 -7.804 1.00 1.20 O ATOM 0 H ASP A 109 64.364 5.991 -9.679 1.00 0.57 H new ATOM 0 HA ASP A 109 66.061 7.365 -11.758 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.183 9.299 -10.270 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.475 8.945 -10.432 1.00 0.62 H new ATOM 382 N GLY A 110 66.719 5.346 -9.524 1.00 0.58 N ATOM 383 CA GLY A 110 67.818 4.630 -8.814 1.00 0.62 C ATOM 384 C GLY A 110 67.566 4.678 -7.307 1.00 0.54 C ATOM 385 O GLY A 110 67.984 3.809 -6.568 1.00 0.57 O ATOM 0 H GLY A 110 65.840 4.833 -9.594 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.870 3.595 -9.152 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.778 5.091 -9.048 1.00 0.62 H new ATOM 389 N TYR A 111 66.880 5.688 -6.847 1.00 0.50 N ATOM 390 CA TYR A 111 66.593 5.796 -5.389 1.00 0.48 C ATOM 391 C TYR A 111 65.099 6.034 -5.171 1.00 0.42 C ATOM 392 O TYR A 111 64.347 6.205 -6.109 1.00 0.52 O ATOM 393 CB TYR A 111 67.402 7.002 -4.908 1.00 0.52 C ATOM 394 CG TYR A 111 68.851 6.823 -5.292 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.252 7.012 -6.621 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.792 6.468 -4.321 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.595 6.846 -6.976 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.135 6.303 -4.675 1.00 1.46 C ATOM 399 CZ TYR A 111 71.537 6.491 -6.003 1.00 0.83 C ATOM 400 OH TYR A 111 72.862 6.327 -6.352 1.00 0.97 O ATOM 0 H TYR A 111 66.505 6.445 -7.419 1.00 0.50 H new ATOM 0 HA TYR A 111 66.859 4.889 -4.846 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.008 7.917 -5.350 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.312 7.106 -3.827 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.525 7.286 -7.371 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.482 6.321 -3.297 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.905 6.992 -8.000 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.862 6.031 -3.924 1.00 1.46 H new ATOM 0 HH TYR A 111 73.382 6.082 -5.558 1.00 0.97 H new ATOM 410 N ILE A 112 64.660 6.048 -3.944 1.00 0.36 N ATOM 411 CA ILE A 112 63.215 6.279 -3.674 1.00 0.32 C ATOM 412 C ILE A 112 63.034 7.312 -2.564 1.00 0.35 C ATOM 413 O ILE A 112 63.771 7.342 -1.599 1.00 0.43 O ATOM 414 CB ILE A 112 62.671 4.932 -3.241 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.105 3.894 -4.284 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.139 5.024 -3.158 1.00 0.35 C ATOM 417 CD1 ILE A 112 62.024 2.831 -4.474 1.00 0.46 C ATOM 0 H ILE A 112 65.240 5.909 -3.116 1.00 0.36 H new ATOM 0 HA ILE A 112 62.695 6.666 -4.550 1.00 0.32 H new ATOM 0 HB ILE A 112 63.052 4.640 -2.262 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.306 4.389 -5.234 1.00 0.40 H new ATOM 0 HG13 ILE A 112 64.035 3.421 -3.968 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.733 4.061 -2.847 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.859 5.787 -2.432 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.737 5.289 -4.136 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.354 2.106 -5.218 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.843 2.323 -3.527 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.103 3.305 -4.813 1.00 0.46 H new ATOM 429 N ASP A 113 62.053 8.153 -2.696 1.00 0.36 N ATOM 430 CA ASP A 113 61.806 9.187 -1.648 1.00 0.44 C ATOM 431 C ASP A 113 60.464 8.923 -0.962 1.00 0.44 C ATOM 432 O ASP A 113 59.630 8.205 -1.473 1.00 0.60 O ATOM 433 CB ASP A 113 61.784 10.528 -2.389 1.00 0.56 C ATOM 434 CG ASP A 113 61.042 10.377 -3.719 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.062 9.654 -3.748 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.468 10.987 -4.685 1.00 1.53 O ATOM 0 H ASP A 113 61.407 8.173 -3.485 1.00 0.36 H new ATOM 0 HA ASP A 113 62.571 9.176 -0.871 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.296 11.285 -1.775 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.803 10.871 -2.568 1.00 0.56 H new ATOM 441 N LEU A 114 60.255 9.491 0.194 1.00 0.47 N ATOM 442 CA LEU A 114 58.970 9.265 0.921 1.00 0.47 C ATOM 443 C LEU A 114 57.785 9.271 -0.051 1.00 0.50 C ATOM 444 O LEU A 114 56.854 8.504 0.090 1.00 0.52 O ATOM 445 CB LEU A 114 58.861 10.434 1.900 1.00 0.57 C ATOM 446 CG LEU A 114 57.993 10.023 3.090 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.058 11.107 4.166 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.543 9.853 2.629 1.00 1.57 C ATOM 0 H LEU A 114 60.919 10.103 0.669 1.00 0.47 H new ATOM 0 HA LEU A 114 58.953 8.299 1.426 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.853 10.728 2.244 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.427 11.301 1.401 1.00 0.57 H new ATOM 0 HG LEU A 114 58.359 9.081 3.498 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.439 10.815 5.015 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.090 11.232 4.495 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.691 12.048 3.757 1.00 1.36 H new ATOM 0 HD21 LEU A 114 55.924 9.560 3.477 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.178 10.796 2.221 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.494 9.082 1.860 1.00 1.57 H new ATOM 460 N GLU A 115 57.811 10.130 -1.033 1.00 0.56 N ATOM 461 CA GLU A 115 56.682 10.182 -2.006 1.00 0.64 C ATOM 462 C GLU A 115 56.451 8.803 -2.632 1.00 0.56 C ATOM 463 O GLU A 115 55.345 8.301 -2.662 1.00 0.61 O ATOM 464 CB GLU A 115 57.127 11.184 -3.072 1.00 0.77 C ATOM 465 CG GLU A 115 56.275 12.451 -2.970 1.00 1.54 C ATOM 466 CD GLU A 115 55.640 12.748 -4.329 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.356 13.196 -5.211 1.00 2.67 O ATOM 468 OE2 GLU A 115 54.449 12.523 -4.467 1.00 2.45 O ATOM 0 H GLU A 115 58.563 10.797 -1.204 1.00 0.56 H new ATOM 0 HA GLU A 115 55.745 10.474 -1.532 1.00 0.64 H new ATOM 0 HB2 GLU A 115 58.180 11.430 -2.938 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.026 10.744 -4.064 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.500 12.321 -2.215 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.891 13.292 -2.653 1.00 1.54 H new ATOM 475 N GLU A 116 57.487 8.190 -3.136 1.00 0.49 N ATOM 476 CA GLU A 116 57.329 6.847 -3.766 1.00 0.45 C ATOM 477 C GLU A 116 57.046 5.784 -2.700 1.00 0.43 C ATOM 478 O GLU A 116 56.167 4.960 -2.852 1.00 0.51 O ATOM 479 CB GLU A 116 58.669 6.577 -4.452 1.00 0.42 C ATOM 480 CG GLU A 116 58.922 7.650 -5.512 1.00 0.94 C ATOM 481 CD GLU A 116 60.414 7.701 -5.845 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.958 6.667 -6.195 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.987 8.773 -5.744 1.00 1.28 O ATOM 0 H GLU A 116 58.437 8.561 -3.139 1.00 0.49 H new ATOM 0 HA GLU A 116 56.495 6.816 -4.467 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.474 6.580 -3.717 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.662 5.589 -4.913 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.346 7.430 -6.411 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.587 8.621 -5.148 1.00 0.94 H new ATOM 490 N LEU A 117 57.781 5.796 -1.622 1.00 0.37 N ATOM 491 CA LEU A 117 57.548 4.786 -0.551 1.00 0.42 C ATOM 492 C LEU A 117 56.086 4.834 -0.104 1.00 0.50 C ATOM 493 O LEU A 117 55.534 3.854 0.356 1.00 0.58 O ATOM 494 CB LEU A 117 58.475 5.197 0.594 1.00 0.43 C ATOM 495 CG LEU A 117 58.310 4.222 1.761 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.671 3.631 2.132 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.735 4.969 2.966 1.00 1.53 C ATOM 0 H LEU A 117 58.532 6.461 -1.437 1.00 0.37 H new ATOM 0 HA LEU A 117 57.749 3.769 -0.886 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.511 5.201 0.254 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.242 6.211 0.918 1.00 0.43 H new ATOM 0 HG LEU A 117 57.634 3.418 1.470 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.552 2.937 2.964 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.084 3.101 1.273 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.349 4.433 2.424 1.00 0.90 H new ATOM 0 HD21 LEU A 117 57.616 4.277 3.800 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.414 5.772 3.254 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.765 5.391 2.703 1.00 1.53 H new ATOM 509 N LYS A 118 55.454 5.967 -0.242 1.00 0.52 N ATOM 510 CA LYS A 118 54.027 6.077 0.169 1.00 0.63 C ATOM 511 C LYS A 118 53.154 5.238 -0.768 1.00 0.71 C ATOM 512 O LYS A 118 52.379 4.410 -0.333 1.00 0.83 O ATOM 513 CB LYS A 118 53.687 7.563 0.038 1.00 0.68 C ATOM 514 CG LYS A 118 52.182 7.763 0.226 1.00 1.05 C ATOM 515 CD LYS A 118 51.939 8.856 1.269 1.00 1.33 C ATOM 516 CE LYS A 118 52.541 10.175 0.779 1.00 1.49 C ATOM 517 NZ LYS A 118 51.883 10.438 -0.532 1.00 1.82 N ATOM 0 H LYS A 118 55.864 6.820 -0.621 1.00 0.52 H new ATOM 0 HA LYS A 118 53.854 5.714 1.182 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.237 8.139 0.782 1.00 0.68 H new ATOM 0 HB3 LYS A 118 53.994 7.932 -0.941 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.720 8.040 -0.721 1.00 1.05 H new ATOM 0 HG3 LYS A 118 51.718 6.830 0.546 1.00 1.05 H new ATOM 0 HD2 LYS A 118 50.870 8.975 1.444 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.388 8.571 2.221 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.349 10.983 1.486 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.623 10.098 0.669 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.790 11.464 -0.674 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.460 10.034 -1.297 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 50.940 10.000 -0.541 1.00 1.82 H new ATOM 531 N ILE A 119 53.282 5.441 -2.051 1.00 0.72 N ATOM 532 CA ILE A 119 52.466 4.646 -3.013 1.00 0.84 C ATOM 533 C ILE A 119 52.846 3.168 -2.907 1.00 0.86 C ATOM 534 O ILE A 119 52.055 2.289 -3.190 1.00 0.96 O ATOM 535 CB ILE A 119 52.821 5.206 -4.391 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.051 6.507 -4.616 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.438 4.196 -5.475 1.00 1.06 C ATOM 538 CD1 ILE A 119 52.850 7.415 -5.549 1.00 1.08 C ATOM 0 H ILE A 119 53.914 6.121 -2.474 1.00 0.72 H new ATOM 0 HA ILE A 119 51.396 4.716 -2.819 1.00 0.84 H new ATOM 0 HB ILE A 119 53.893 5.396 -4.441 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.073 6.294 -5.048 1.00 1.00 H new ATOM 0 HG13 ILE A 119 51.877 7.008 -3.664 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.693 4.600 -6.455 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.982 3.265 -5.313 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.366 4.003 -5.430 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.302 8.343 -5.710 1.00 1.08 H new ATOM 0 HD12 ILE A 119 53.817 7.638 -5.099 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.001 6.912 -6.504 1.00 1.08 H new ATOM 550 N MET A 120 54.052 2.889 -2.492 1.00 0.82 N ATOM 551 CA MET A 120 54.490 1.471 -2.355 1.00 0.92 C ATOM 552 C MET A 120 53.600 0.758 -1.333 1.00 0.92 C ATOM 553 O MET A 120 53.293 -0.410 -1.468 1.00 1.01 O ATOM 554 CB MET A 120 55.938 1.559 -1.858 1.00 0.96 C ATOM 555 CG MET A 120 56.327 0.258 -1.151 1.00 1.50 C ATOM 556 SD MET A 120 58.012 -0.205 -1.624 1.00 2.13 S ATOM 557 CE MET A 120 58.882 0.891 -0.475 1.00 2.73 C ATOM 0 H MET A 120 54.755 3.585 -2.241 1.00 0.82 H new ATOM 0 HA MET A 120 54.418 0.909 -3.286 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.609 1.742 -2.697 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.046 2.401 -1.174 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.263 0.386 -0.070 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.631 -0.537 -1.420 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.686 1.406 -1.001 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.184 1.625 -0.073 1.00 2.73 H new ATOM 0 HE3 MET A 120 59.301 0.303 0.342 1.00 2.73 H new ATOM 567 N LEU A 121 53.179 1.457 -0.316 1.00 0.88 N ATOM 568 CA LEU A 121 52.303 0.827 0.713 1.00 0.96 C ATOM 569 C LEU A 121 50.911 0.586 0.129 1.00 0.99 C ATOM 570 O LEU A 121 50.230 -0.351 0.488 1.00 1.12 O ATOM 571 CB LEU A 121 52.215 1.840 1.852 1.00 0.98 C ATOM 572 CG LEU A 121 53.586 2.475 2.114 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.585 3.129 3.497 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.673 1.396 2.068 1.00 1.81 C ATOM 0 H LEU A 121 53.404 2.438 -0.152 1.00 0.88 H new ATOM 0 HA LEU A 121 52.696 -0.132 1.050 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.491 2.615 1.602 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.857 1.349 2.757 1.00 0.98 H new ATOM 0 HG LEU A 121 53.787 3.226 1.350 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.558 3.581 3.686 1.00 1.51 H new ATOM 0 HD12 LEU A 121 52.814 3.898 3.535 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.382 2.374 4.256 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.646 1.851 2.255 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.472 0.644 2.831 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.676 0.924 1.085 1.00 1.81 H new ATOM 586 N GLN A 122 50.481 1.428 -0.769 1.00 0.95 N ATOM 587 CA GLN A 122 49.135 1.239 -1.372 1.00 1.05 C ATOM 588 C GLN A 122 49.109 -0.067 -2.162 1.00 1.12 C ATOM 589 O GLN A 122 48.074 -0.672 -2.354 1.00 1.24 O ATOM 590 CB GLN A 122 48.936 2.437 -2.298 1.00 1.07 C ATOM 591 CG GLN A 122 47.733 3.251 -1.816 1.00 1.49 C ATOM 592 CD GLN A 122 47.532 4.459 -2.735 1.00 1.51 C ATOM 593 OE1 GLN A 122 46.471 4.637 -3.299 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.514 5.301 -2.911 1.00 1.52 N ATOM 0 H GLN A 122 51.002 2.236 -1.110 1.00 0.95 H new ATOM 0 HA GLN A 122 48.345 1.181 -0.623 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.831 3.059 -2.306 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.775 2.098 -3.321 1.00 1.07 H new ATOM 0 HG2 GLN A 122 46.837 2.630 -1.814 1.00 1.49 H new ATOM 0 HG3 GLN A 122 47.893 3.584 -0.790 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.405 5.152 -2.437 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.390 6.108 -3.522 1.00 1.52 H new ATOM 603 N ALA A 123 50.251 -0.513 -2.611 1.00 1.11 N ATOM 604 CA ALA A 123 50.299 -1.787 -3.377 1.00 1.26 C ATOM 605 C ALA A 123 50.115 -2.967 -2.423 1.00 1.39 C ATOM 606 O ALA A 123 49.750 -4.053 -2.826 1.00 1.55 O ATOM 607 CB ALA A 123 51.690 -1.818 -4.011 1.00 1.31 C ATOM 0 H ALA A 123 51.150 -0.050 -2.480 1.00 1.11 H new ATOM 0 HA ALA A 123 49.513 -1.854 -4.129 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.803 -2.731 -4.595 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.812 -0.953 -4.663 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.448 -1.792 -3.228 1.00 1.31 H new ATOM 613 N THR A 124 50.362 -2.761 -1.154 1.00 1.38 N ATOM 614 CA THR A 124 50.194 -3.877 -0.178 1.00 1.59 C ATOM 615 C THR A 124 48.824 -3.785 0.501 1.00 1.77 C ATOM 616 O THR A 124 48.354 -4.732 1.100 1.00 2.03 O ATOM 617 CB THR A 124 51.322 -3.693 0.844 1.00 1.65 C ATOM 618 OG1 THR A 124 51.391 -4.842 1.677 1.00 2.26 O ATOM 619 CG2 THR A 124 51.055 -2.456 1.703 1.00 1.97 C ATOM 0 H THR A 124 50.670 -1.874 -0.755 1.00 1.38 H new ATOM 0 HA THR A 124 50.243 -4.854 -0.658 1.00 1.59 H new ATOM 0 HB THR A 124 52.267 -3.562 0.316 1.00 1.65 H new ATOM 0 HG1 THR A 124 52.112 -4.729 2.331 1.00 2.26 H new ATOM 0 HG21 THR A 124 51.862 -2.334 2.426 1.00 1.97 H new ATOM 0 HG22 THR A 124 51.003 -1.574 1.065 1.00 1.97 H new ATOM 0 HG23 THR A 124 50.110 -2.577 2.232 1.00 1.97 H new ATOM 627 N GLY A 125 48.180 -2.652 0.413 1.00 1.74 N ATOM 628 CA GLY A 125 46.843 -2.502 1.054 1.00 2.07 C ATOM 629 C GLY A 125 46.953 -1.559 2.253 1.00 1.64 C ATOM 630 O GLY A 125 47.942 -0.875 2.428 1.00 2.16 O ATOM 0 H GLY A 125 48.523 -1.824 -0.075 1.00 1.74 H new ATOM 0 HA2 GLY A 125 46.125 -2.109 0.334 1.00 2.07 H new ATOM 0 HA3 GLY A 125 46.472 -3.475 1.376 1.00 2.07 H new ATOM 634 N GLU A 126 45.945 -1.517 3.081 1.00 1.68 N ATOM 635 CA GLU A 126 45.996 -0.616 4.270 1.00 1.94 C ATOM 636 C GLU A 126 46.465 0.780 3.854 1.00 1.76 C ATOM 637 O GLU A 126 47.603 1.151 4.067 1.00 2.42 O ATOM 638 CB GLU A 126 47.008 -1.264 5.215 1.00 2.83 C ATOM 639 CG GLU A 126 46.277 -1.848 6.425 1.00 3.43 C ATOM 640 CD GLU A 126 45.708 -0.712 7.275 1.00 4.44 C ATOM 641 OE1 GLU A 126 45.179 0.225 6.701 1.00 5.02 O ATOM 642 OE2 GLU A 126 45.810 -0.798 8.489 1.00 4.97 O ATOM 0 H GLU A 126 45.090 -2.065 2.987 1.00 1.68 H new ATOM 0 HA GLU A 126 45.020 -0.496 4.740 1.00 1.94 H new ATOM 0 HB2 GLU A 126 47.556 -2.049 4.694 1.00 2.83 H new ATOM 0 HB3 GLU A 126 47.741 -0.526 5.541 1.00 2.83 H new ATOM 0 HG2 GLU A 126 45.474 -2.507 6.095 1.00 3.43 H new ATOM 0 HG3 GLU A 126 46.961 -2.453 7.019 1.00 3.43 H new ATOM 649 N THR A 127 45.601 1.557 3.262 1.00 1.67 N ATOM 650 CA THR A 127 46.002 2.927 2.833 1.00 1.97 C ATOM 651 C THR A 127 45.927 3.897 4.015 1.00 1.60 C ATOM 652 O THR A 127 45.047 3.810 4.848 1.00 1.70 O ATOM 653 CB THR A 127 44.992 3.320 1.753 1.00 2.78 C ATOM 654 OG1 THR A 127 44.967 2.318 0.745 1.00 3.37 O ATOM 655 CG2 THR A 127 45.400 4.658 1.136 1.00 3.72 C ATOM 0 H THR A 127 44.635 1.303 3.057 1.00 1.67 H new ATOM 0 HA THR A 127 47.027 2.957 2.462 1.00 1.97 H new ATOM 0 HB THR A 127 44.001 3.414 2.196 1.00 2.78 H new ATOM 0 HG1 THR A 127 44.319 2.567 0.053 1.00 3.37 H new ATOM 0 HG21 THR A 127 44.681 4.938 0.367 1.00 3.72 H new ATOM 0 HG22 THR A 127 45.420 5.425 1.910 1.00 3.72 H new ATOM 0 HG23 THR A 127 46.391 4.566 0.690 1.00 3.72 H new ATOM 663 N ILE A 128 46.846 4.822 4.093 1.00 1.39 N ATOM 664 CA ILE A 128 46.830 5.798 5.221 1.00 1.35 C ATOM 665 C ILE A 128 47.283 7.178 4.736 1.00 1.27 C ATOM 666 O ILE A 128 47.386 7.427 3.552 1.00 1.39 O ATOM 667 CB ILE A 128 47.810 5.244 6.255 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.051 4.688 5.553 1.00 2.00 C ATOM 669 CG2 ILE A 128 47.134 4.125 7.049 1.00 2.58 C ATOM 670 CD1 ILE A 128 49.927 3.973 6.578 1.00 2.44 C ATOM 0 H ILE A 128 47.607 4.944 3.425 1.00 1.39 H new ATOM 0 HA ILE A 128 45.831 5.920 5.639 1.00 1.35 H new ATOM 0 HB ILE A 128 48.108 6.046 6.930 1.00 1.59 H new ATOM 0 HG12 ILE A 128 48.758 3.998 4.762 1.00 2.00 H new ATOM 0 HG13 ILE A 128 49.609 5.496 5.080 1.00 2.00 H new ATOM 0 HG21 ILE A 128 47.832 3.729 7.787 1.00 2.58 H new ATOM 0 HG22 ILE A 128 46.254 4.520 7.557 1.00 2.58 H new ATOM 0 HG23 ILE A 128 46.833 3.327 6.370 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.813 3.574 6.084 1.00 2.44 H new ATOM 0 HD12 ILE A 128 50.229 4.678 7.353 1.00 2.44 H new ATOM 0 HD13 ILE A 128 49.365 3.156 7.030 1.00 2.44 H new ATOM 682 N THR A 129 47.552 8.076 5.644 1.00 1.18 N ATOM 683 CA THR A 129 47.996 9.440 5.236 1.00 1.21 C ATOM 684 C THR A 129 49.490 9.621 5.517 1.00 1.10 C ATOM 685 O THR A 129 50.179 8.693 5.893 1.00 1.04 O ATOM 686 CB THR A 129 47.170 10.396 6.098 1.00 1.37 C ATOM 687 OG1 THR A 129 47.663 10.378 7.429 1.00 1.63 O ATOM 688 CG2 THR A 129 45.703 9.957 6.088 1.00 1.63 C ATOM 0 H THR A 129 47.484 7.925 6.650 1.00 1.18 H new ATOM 0 HA THR A 129 47.852 9.619 4.170 1.00 1.21 H new ATOM 0 HB THR A 129 47.247 11.406 5.696 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.044 10.863 8.014 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.115 10.639 6.703 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.325 9.973 5.066 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.623 8.947 6.489 1.00 1.63 H new ATOM 696 N GLU A 130 49.997 10.811 5.338 1.00 1.13 N ATOM 697 CA GLU A 130 51.446 11.055 5.594 1.00 1.09 C ATOM 698 C GLU A 130 51.736 10.989 7.096 1.00 1.03 C ATOM 699 O GLU A 130 52.872 10.890 7.515 1.00 0.98 O ATOM 700 CB GLU A 130 51.709 12.464 5.060 1.00 1.23 C ATOM 701 CG GLU A 130 52.695 12.393 3.895 1.00 1.68 C ATOM 702 CD GLU A 130 53.357 13.759 3.703 1.00 2.20 C ATOM 703 OE1 GLU A 130 52.669 14.675 3.284 1.00 2.77 O ATOM 704 OE2 GLU A 130 54.541 13.866 3.979 1.00 2.66 O ATOM 0 H GLU A 130 49.469 11.626 5.025 1.00 1.13 H new ATOM 0 HA GLU A 130 52.082 10.311 5.115 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.775 12.920 4.732 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.111 13.095 5.852 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.453 11.634 4.092 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.176 12.097 2.983 1.00 1.68 H new ATOM 711 N ASP A 131 50.717 11.046 7.909 1.00 1.08 N ATOM 712 CA ASP A 131 50.934 10.989 9.383 1.00 1.10 C ATOM 713 C ASP A 131 51.498 9.623 9.786 1.00 0.95 C ATOM 714 O ASP A 131 52.354 9.523 10.643 1.00 0.88 O ATOM 715 CB ASP A 131 49.549 11.197 9.994 1.00 1.27 C ATOM 716 CG ASP A 131 49.413 12.643 10.471 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.086 13.496 9.915 1.00 2.28 O ATOM 718 OD2 ASP A 131 48.639 12.876 11.385 1.00 2.09 O ATOM 0 H ASP A 131 49.743 11.130 7.617 1.00 1.08 H new ATOM 0 HA ASP A 131 51.648 11.739 9.723 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.778 10.972 9.258 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.402 10.512 10.829 1.00 1.27 H new ATOM 723 N ASP A 132 51.026 8.570 9.175 1.00 0.96 N ATOM 724 CA ASP A 132 51.537 7.215 9.528 1.00 0.88 C ATOM 725 C ASP A 132 52.709 6.836 8.618 1.00 0.76 C ATOM 726 O ASP A 132 53.530 6.009 8.959 1.00 0.72 O ATOM 727 CB ASP A 132 50.355 6.273 9.299 1.00 0.99 C ATOM 728 CG ASP A 132 49.506 6.198 10.570 1.00 1.31 C ATOM 729 OD1 ASP A 132 48.878 7.191 10.898 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.501 5.150 11.194 1.00 1.95 O ATOM 0 H ASP A 132 50.310 8.589 8.448 1.00 0.96 H new ATOM 0 HA ASP A 132 51.904 7.168 10.553 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.750 6.629 8.465 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.715 5.280 9.031 1.00 0.99 H new ATOM 735 N ILE A 133 52.791 7.436 7.461 1.00 0.78 N ATOM 736 CA ILE A 133 53.909 7.108 6.531 1.00 0.73 C ATOM 737 C ILE A 133 55.109 8.018 6.807 1.00 0.66 C ATOM 738 O ILE A 133 56.167 7.860 6.229 1.00 0.63 O ATOM 739 CB ILE A 133 53.350 7.367 5.134 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.197 6.399 4.860 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.452 7.153 4.095 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.386 6.895 3.662 1.00 0.96 C ATOM 0 H ILE A 133 52.134 8.138 7.120 1.00 0.78 H new ATOM 0 HA ILE A 133 54.256 6.081 6.647 1.00 0.73 H new ATOM 0 HB ILE A 133 52.987 8.393 5.072 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.586 5.401 4.660 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.557 6.322 5.739 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.053 7.338 3.098 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.274 7.841 4.290 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.815 6.127 4.156 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.565 6.205 3.468 1.00 0.96 H new ATOM 0 HD12 ILE A 133 50.984 7.885 3.879 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.030 6.949 2.784 1.00 0.96 H new ATOM 754 N GLU A 134 54.956 8.968 7.687 1.00 0.73 N ATOM 755 CA GLU A 134 56.089 9.886 8.000 1.00 0.77 C ATOM 756 C GLU A 134 57.111 9.179 8.893 1.00 0.70 C ATOM 757 O GLU A 134 58.304 9.345 8.740 1.00 0.68 O ATOM 758 CB GLU A 134 55.454 11.063 8.740 1.00 0.96 C ATOM 759 CG GLU A 134 55.098 12.165 7.739 1.00 0.95 C ATOM 760 CD GLU A 134 56.292 13.106 7.569 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.869 13.487 8.575 1.00 2.27 O ATOM 762 OE2 GLU A 134 56.611 13.430 6.437 1.00 2.07 O ATOM 0 H GLU A 134 54.095 9.149 8.204 1.00 0.73 H new ATOM 0 HA GLU A 134 56.619 10.207 7.103 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.559 10.734 9.268 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.143 11.448 9.491 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.828 11.725 6.779 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.229 12.722 8.089 1.00 0.95 H new ATOM 769 N GLU A 135 56.650 8.391 9.827 1.00 0.74 N ATOM 770 CA GLU A 135 57.594 7.673 10.731 1.00 0.76 C ATOM 771 C GLU A 135 58.127 6.411 10.047 1.00 0.66 C ATOM 772 O GLU A 135 59.092 5.817 10.484 1.00 0.74 O ATOM 773 CB GLU A 135 56.762 7.304 11.959 1.00 0.88 C ATOM 774 CG GLU A 135 56.857 8.427 12.996 1.00 1.20 C ATOM 775 CD GLU A 135 57.597 7.921 14.237 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.752 6.717 14.361 1.00 1.95 O ATOM 777 OE2 GLU A 135 57.996 8.747 15.040 1.00 2.16 O ATOM 0 H GLU A 135 55.661 8.214 10.003 1.00 0.74 H new ATOM 0 HA GLU A 135 58.459 8.283 10.991 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.722 7.146 11.673 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.121 6.368 12.387 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.381 9.283 12.572 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.859 8.768 13.270 1.00 1.20 H new ATOM 784 N LEU A 136 57.505 5.997 8.977 1.00 0.62 N ATOM 785 CA LEU A 136 57.976 4.773 8.266 1.00 0.66 C ATOM 786 C LEU A 136 59.314 5.044 7.574 1.00 0.61 C ATOM 787 O LEU A 136 60.289 4.353 7.794 1.00 0.70 O ATOM 788 CB LEU A 136 56.888 4.474 7.235 1.00 0.77 C ATOM 789 CG LEU A 136 57.348 3.341 6.318 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.842 2.166 7.165 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.177 2.883 5.446 1.00 1.38 C ATOM 0 H LEU A 136 56.691 6.453 8.564 1.00 0.62 H new ATOM 0 HA LEU A 136 58.136 3.935 8.945 1.00 0.66 H new ATOM 0 HB2 LEU A 136 55.963 4.195 7.739 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.674 5.367 6.647 1.00 0.77 H new ATOM 0 HG LEU A 136 58.159 3.696 5.682 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.170 1.358 6.511 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.676 2.491 7.787 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.032 1.811 7.802 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.505 2.075 4.792 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.366 2.528 6.082 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.825 3.719 4.842 1.00 1.38 H new ATOM 803 N MET A 137 59.368 6.043 6.737 1.00 0.55 N ATOM 804 CA MET A 137 60.642 6.357 6.030 1.00 0.59 C ATOM 805 C MET A 137 61.704 6.826 7.030 1.00 0.65 C ATOM 806 O MET A 137 62.886 6.636 6.830 1.00 0.81 O ATOM 807 CB MET A 137 60.286 7.482 5.058 1.00 0.60 C ATOM 808 CG MET A 137 61.565 8.164 4.571 1.00 0.96 C ATOM 809 SD MET A 137 62.644 6.937 3.790 1.00 1.23 S ATOM 810 CE MET A 137 61.896 6.990 2.143 1.00 1.35 C ATOM 0 H MET A 137 58.585 6.656 6.512 1.00 0.55 H new ATOM 0 HA MET A 137 61.054 5.488 5.517 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.730 7.081 4.210 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.639 8.209 5.549 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.321 8.954 3.861 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.079 8.636 5.408 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.471 6.363 1.462 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.871 6.623 2.197 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.895 8.017 1.777 1.00 1.35 H new ATOM 820 N LYS A 138 61.290 7.440 8.105 1.00 0.62 N ATOM 821 CA LYS A 138 62.276 7.923 9.115 1.00 0.79 C ATOM 822 C LYS A 138 62.980 6.739 9.783 1.00 0.86 C ATOM 823 O LYS A 138 64.004 6.894 10.419 1.00 1.16 O ATOM 824 CB LYS A 138 61.447 8.701 10.136 1.00 0.87 C ATOM 825 CG LYS A 138 61.263 10.140 9.650 1.00 1.55 C ATOM 826 CD LYS A 138 62.105 11.081 10.514 1.00 2.07 C ATOM 827 CE LYS A 138 63.091 11.844 9.627 1.00 2.85 C ATOM 828 NZ LYS A 138 62.636 13.261 9.678 1.00 3.36 N ATOM 0 H LYS A 138 60.313 7.628 8.328 1.00 0.62 H new ATOM 0 HA LYS A 138 63.055 8.539 8.667 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.476 8.224 10.272 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.944 8.694 11.106 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.562 10.223 8.605 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.212 10.422 9.704 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.459 11.781 11.044 1.00 2.07 H new ATOM 0 HD3 LYS A 138 62.645 10.512 11.270 1.00 2.07 H new ATOM 0 HE2 LYS A 138 64.112 11.744 9.995 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.081 11.462 8.606 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.264 13.848 9.093 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.663 13.327 9.316 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.663 13.599 10.661 1.00 3.36 H new ATOM 842 N ASP A 139 62.441 5.559 9.646 1.00 0.71 N ATOM 843 CA ASP A 139 63.084 4.371 10.276 1.00 0.85 C ATOM 844 C ASP A 139 64.080 3.730 9.306 1.00 0.85 C ATOM 845 O ASP A 139 64.932 2.958 9.697 1.00 1.02 O ATOM 846 CB ASP A 139 61.933 3.410 10.576 1.00 0.97 C ATOM 847 CG ASP A 139 62.168 2.738 11.930 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.147 2.019 12.049 1.00 1.80 O ATOM 849 OD2 ASP A 139 61.368 2.955 12.824 1.00 2.33 O ATOM 0 H ASP A 139 61.585 5.366 9.126 1.00 0.71 H new ATOM 0 HA ASP A 139 63.642 4.632 11.175 1.00 0.85 H new ATOM 0 HB2 ASP A 139 60.987 3.951 10.586 1.00 0.97 H new ATOM 0 HB3 ASP A 139 61.861 2.656 9.792 1.00 0.97 H new ATOM 854 N GLY A 140 63.979 4.043 8.043 1.00 0.81 N ATOM 855 CA GLY A 140 64.920 3.449 7.051 1.00 0.86 C ATOM 856 C GLY A 140 66.049 4.438 6.759 1.00 0.77 C ATOM 857 O GLY A 140 67.154 4.055 6.430 1.00 0.86 O ATOM 0 H GLY A 140 63.286 4.684 7.655 1.00 0.81 H new ATOM 0 HA2 GLY A 140 65.331 2.516 7.438 1.00 0.86 H new ATOM 0 HA3 GLY A 140 64.389 3.206 6.131 1.00 0.86 H new ATOM 861 N ASP A 141 65.780 5.711 6.873 1.00 0.70 N ATOM 862 CA ASP A 141 66.841 6.724 6.599 1.00 0.66 C ATOM 863 C ASP A 141 68.028 6.517 7.541 1.00 0.74 C ATOM 864 O ASP A 141 68.101 7.102 8.604 1.00 0.87 O ATOM 865 CB ASP A 141 66.173 8.075 6.858 1.00 0.66 C ATOM 866 CG ASP A 141 66.372 8.983 5.643 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.190 8.505 4.536 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.704 10.140 5.840 1.00 0.83 O ATOM 0 H ASP A 141 64.874 6.093 7.143 1.00 0.70 H new ATOM 0 HA ASP A 141 67.231 6.651 5.584 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.109 7.936 7.051 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.600 8.540 7.747 1.00 0.66 H new ATOM 873 N LYS A 142 68.965 5.693 7.155 1.00 0.75 N ATOM 874 CA LYS A 142 70.151 5.452 8.025 1.00 0.87 C ATOM 875 C LYS A 142 71.241 6.482 7.719 1.00 0.89 C ATOM 876 O LYS A 142 72.249 6.555 8.393 1.00 1.05 O ATOM 877 CB LYS A 142 70.626 4.044 7.665 1.00 0.89 C ATOM 878 CG LYS A 142 71.158 3.350 8.920 1.00 1.24 C ATOM 879 CD LYS A 142 72.502 2.691 8.607 1.00 1.26 C ATOM 880 CE LYS A 142 72.295 1.571 7.584 1.00 1.55 C ATOM 881 NZ LYS A 142 73.320 0.538 7.914 1.00 1.99 N ATOM 0 H LYS A 142 68.960 5.177 6.275 1.00 0.75 H new ATOM 0 HA LYS A 142 69.915 5.542 9.085 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.804 3.469 7.239 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.406 4.095 6.906 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.275 4.074 9.727 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.445 2.601 9.264 1.00 1.24 H new ATOM 0 HD2 LYS A 142 73.200 3.431 8.216 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.943 2.288 9.519 1.00 1.26 H new ATOM 0 HE2 LYS A 142 71.288 1.160 7.650 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.423 1.940 6.566 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.235 -0.259 7.251 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.270 0.954 7.835 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.170 0.198 8.885 1.00 1.99 H new ATOM 895 N ASN A 143 71.040 7.284 6.710 1.00 0.85 N ATOM 896 CA ASN A 143 72.056 8.316 6.361 1.00 1.05 C ATOM 897 C ASN A 143 71.381 9.684 6.257 1.00 1.07 C ATOM 898 O ASN A 143 71.960 10.643 5.786 1.00 1.56 O ATOM 899 CB ASN A 143 72.617 7.886 5.003 1.00 1.08 C ATOM 900 CG ASN A 143 71.468 7.462 4.084 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.395 8.029 4.133 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.651 6.483 3.242 1.00 1.48 N ATOM 0 H ASN A 143 70.214 7.269 6.111 1.00 0.85 H new ATOM 0 HA ASN A 143 72.843 8.398 7.110 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.173 8.707 4.551 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.317 7.060 5.132 1.00 1.08 H new ATOM 0 HD21 ASN A 143 70.893 6.193 2.624 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.552 6.007 3.201 1.00 1.48 H new ATOM 909 N ASN A 144 70.157 9.777 6.698 1.00 0.78 N ATOM 910 CA ASN A 144 69.435 11.077 6.632 1.00 0.82 C ATOM 911 C ASN A 144 69.619 11.715 5.253 1.00 0.82 C ATOM 912 O ASN A 144 69.982 12.870 5.137 1.00 0.92 O ATOM 913 CB ASN A 144 70.077 11.941 7.717 1.00 0.95 C ATOM 914 CG ASN A 144 69.627 11.446 9.093 1.00 1.47 C ATOM 915 OD1 ASN A 144 68.552 11.783 9.551 1.00 2.28 O ATOM 916 ND2 ASN A 144 70.408 10.655 9.777 1.00 1.93 N ATOM 0 H ASN A 144 69.625 9.006 7.102 1.00 0.78 H new ATOM 0 HA ASN A 144 68.362 10.963 6.786 1.00 0.82 H new ATOM 0 HB2 ASN A 144 71.163 11.895 7.639 1.00 0.95 H new ATOM 0 HB3 ASN A 144 69.792 12.984 7.583 1.00 0.95 H new ATOM 0 HD21 ASN A 144 70.117 10.320 10.695 1.00 1.93 H new ATOM 0 HD22 ASN A 144 71.310 10.372 9.393 1.00 1.93 H new ATOM 923 N ASP A 145 69.371 10.975 4.209 1.00 0.75 N ATOM 924 CA ASP A 145 69.530 11.541 2.839 1.00 0.78 C ATOM 925 C ASP A 145 68.163 11.689 2.166 1.00 0.74 C ATOM 926 O ASP A 145 68.067 12.030 1.003 1.00 0.81 O ATOM 927 CB ASP A 145 70.390 10.523 2.088 1.00 0.76 C ATOM 928 CG ASP A 145 69.559 9.273 1.791 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.503 9.134 2.385 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.992 8.479 0.973 1.00 1.85 O ATOM 0 H ASP A 145 69.065 10.003 4.244 1.00 0.75 H new ATOM 0 HA ASP A 145 69.986 12.531 2.851 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.758 10.957 1.158 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.263 10.259 2.684 1.00 0.76 H new ATOM 935 N GLY A 146 67.105 11.437 2.887 1.00 0.69 N ATOM 936 CA GLY A 146 65.747 11.566 2.286 1.00 0.70 C ATOM 937 C GLY A 146 65.471 10.363 1.383 1.00 0.58 C ATOM 938 O GLY A 146 64.847 9.402 1.787 1.00 0.62 O ATOM 0 H GLY A 146 67.122 11.148 3.865 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.994 11.624 3.072 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.679 12.489 1.710 1.00 0.70 H new ATOM 942 N ARG A 147 65.930 10.407 0.162 1.00 0.54 N ATOM 943 CA ARG A 147 65.692 9.264 -0.765 1.00 0.49 C ATOM 944 C ARG A 147 66.254 7.972 -0.164 1.00 0.44 C ATOM 945 O ARG A 147 66.691 7.941 0.970 1.00 0.56 O ATOM 946 CB ARG A 147 66.439 9.629 -2.048 1.00 0.57 C ATOM 947 CG ARG A 147 65.437 9.827 -3.186 1.00 0.78 C ATOM 948 CD ARG A 147 66.153 10.420 -4.401 1.00 0.73 C ATOM 949 NE ARG A 147 65.606 11.799 -4.536 1.00 1.07 N ATOM 950 CZ ARG A 147 66.333 12.741 -5.072 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.341 13.242 -4.411 1.00 2.32 N ATOM 952 NH2 ARG A 147 66.052 13.184 -6.267 1.00 2.22 N ATOM 0 H ARG A 147 66.459 11.184 -0.234 1.00 0.54 H new ATOM 0 HA ARG A 147 64.631 9.095 -0.948 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.018 10.540 -1.897 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.146 8.841 -2.306 1.00 0.57 H new ATOM 0 HG2 ARG A 147 64.978 8.874 -3.450 1.00 0.78 H new ATOM 0 HG3 ARG A 147 64.633 10.490 -2.865 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.233 10.436 -4.254 1.00 0.73 H new ATOM 0 HD3 ARG A 147 65.963 9.830 -5.298 1.00 0.73 H new ATOM 0 HE ARG A 147 64.662 12.007 -4.209 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.560 12.897 -3.476 1.00 2.32 H new ATOM 0 HH12 ARG A 147 67.910 13.978 -4.829 1.00 2.32 H new ATOM 0 HH21 ARG A 147 65.263 12.794 -6.783 1.00 2.22 H new ATOM 0 HH22 ARG A 147 66.621 13.920 -6.685 1.00 2.22 H new ATOM 966 N ILE A 148 66.246 6.908 -0.916 1.00 0.35 N ATOM 967 CA ILE A 148 66.778 5.617 -0.392 1.00 0.36 C ATOM 968 C ILE A 148 67.406 4.802 -1.529 1.00 0.40 C ATOM 969 O ILE A 148 67.070 4.967 -2.684 1.00 0.41 O ATOM 970 CB ILE A 148 65.557 4.898 0.193 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.276 5.451 1.595 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.832 3.391 0.275 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.354 4.498 2.363 1.00 0.40 C ATOM 0 H ILE A 148 65.894 6.875 -1.873 1.00 0.35 H new ATOM 0 HA ILE A 148 67.559 5.759 0.355 1.00 0.36 H new ATOM 0 HB ILE A 148 64.691 5.065 -0.448 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.212 5.579 2.138 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.813 6.435 1.520 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.961 2.884 0.691 1.00 0.43 H new ATOM 0 HG22 ILE A 148 66.034 3.003 -0.723 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.696 3.213 0.915 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.161 4.901 3.357 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.412 4.392 1.826 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.832 3.523 2.453 1.00 0.40 H new ATOM 985 N ASP A 149 68.313 3.921 -1.208 1.00 0.47 N ATOM 986 CA ASP A 149 68.961 3.095 -2.269 1.00 0.55 C ATOM 987 C ASP A 149 68.918 1.612 -1.885 1.00 0.58 C ATOM 988 O ASP A 149 68.228 1.219 -0.965 1.00 0.54 O ATOM 989 CB ASP A 149 70.408 3.592 -2.349 1.00 0.65 C ATOM 990 CG ASP A 149 70.940 3.887 -0.945 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.351 2.952 -0.280 1.00 2.00 O ATOM 992 OD2 ASP A 149 70.926 5.045 -0.559 1.00 2.16 O ATOM 0 H ASP A 149 68.634 3.736 -0.258 1.00 0.47 H new ATOM 0 HA ASP A 149 68.452 3.190 -3.228 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.033 2.841 -2.833 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.458 4.492 -2.962 1.00 0.65 H new ATOM 997 N TYR A 150 69.645 0.787 -2.588 1.00 0.67 N ATOM 998 CA TYR A 150 69.640 -0.672 -2.272 1.00 0.73 C ATOM 999 C TYR A 150 70.352 -0.939 -0.943 1.00 0.75 C ATOM 1000 O TYR A 150 70.378 -2.052 -0.457 1.00 0.76 O ATOM 1001 CB TYR A 150 70.400 -1.327 -3.423 1.00 0.84 C ATOM 1002 CG TYR A 150 70.326 -2.829 -3.285 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.087 -3.454 -3.102 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.496 -3.596 -3.339 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.018 -4.847 -2.974 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.427 -4.988 -3.211 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.189 -5.614 -3.028 1.00 2.02 C ATOM 1008 OH TYR A 150 70.120 -6.986 -2.900 1.00 2.63 O ATOM 0 H TYR A 150 70.243 1.059 -3.368 1.00 0.67 H new ATOM 0 HA TYR A 150 68.628 -1.064 -2.170 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.974 -1.017 -4.377 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.440 -1.001 -3.418 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.185 -2.862 -3.060 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.452 -3.113 -3.479 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.062 -5.330 -2.834 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.330 -5.579 -3.253 1.00 2.14 H new ATOM 0 HH TYR A 150 71.021 -7.366 -2.961 1.00 2.63 H new ATOM 1018 N ASP A 151 70.929 0.069 -0.350 1.00 0.78 N ATOM 1019 CA ASP A 151 71.633 -0.139 0.947 1.00 0.82 C ATOM 1020 C ASP A 151 70.666 0.102 2.106 1.00 0.74 C ATOM 1021 O ASP A 151 70.324 -0.801 2.842 1.00 0.76 O ATOM 1022 CB ASP A 151 72.762 0.893 0.967 1.00 0.87 C ATOM 1023 CG ASP A 151 73.445 0.937 -0.403 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.337 -0.038 -1.128 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.064 1.945 -0.702 1.00 2.08 O ATOM 0 H ASP A 151 70.944 1.025 -0.706 1.00 0.78 H new ATOM 0 HA ASP A 151 72.016 -1.154 1.050 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.364 1.876 1.218 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.488 0.637 1.738 1.00 0.87 H new ATOM 1030 N GLU A 152 70.215 1.315 2.265 1.00 0.67 N ATOM 1031 CA GLU A 152 69.261 1.614 3.369 1.00 0.61 C ATOM 1032 C GLU A 152 67.972 0.808 3.164 1.00 0.58 C ATOM 1033 O GLU A 152 67.360 0.345 4.107 1.00 0.58 O ATOM 1034 CB GLU A 152 69.010 3.129 3.261 1.00 0.59 C ATOM 1035 CG GLU A 152 67.541 3.453 3.561 1.00 0.76 C ATOM 1036 CD GLU A 152 67.417 4.908 4.016 1.00 0.75 C ATOM 1037 OE1 GLU A 152 68.442 5.552 4.165 1.00 1.20 O ATOM 1038 OE2 GLU A 152 66.297 5.351 4.208 1.00 1.39 O ATOM 0 H GLU A 152 70.465 2.111 1.679 1.00 0.67 H new ATOM 0 HA GLU A 152 69.640 1.345 4.355 1.00 0.61 H new ATOM 0 HB2 GLU A 152 69.656 3.661 3.959 1.00 0.59 H new ATOM 0 HB3 GLU A 152 69.268 3.476 2.260 1.00 0.59 H new ATOM 0 HG2 GLU A 152 66.933 3.287 2.672 1.00 0.76 H new ATOM 0 HG3 GLU A 152 67.162 2.786 4.335 1.00 0.76 H new ATOM 1045 N PHE A 153 67.555 0.641 1.938 1.00 0.60 N ATOM 1046 CA PHE A 153 66.307 -0.130 1.674 1.00 0.61 C ATOM 1047 C PHE A 153 66.427 -1.547 2.239 1.00 0.66 C ATOM 1048 O PHE A 153 65.464 -2.121 2.707 1.00 0.71 O ATOM 1049 CB PHE A 153 66.181 -0.169 0.151 1.00 0.64 C ATOM 1050 CG PHE A 153 65.004 -1.033 -0.231 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.699 -0.573 -0.014 1.00 1.18 C ATOM 1052 CD2 PHE A 153 65.215 -2.294 -0.800 1.00 1.47 C ATOM 1053 CE1 PHE A 153 62.607 -1.374 -0.367 1.00 1.24 C ATOM 1054 CE2 PHE A 153 64.123 -3.095 -1.153 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.819 -2.636 -0.936 1.00 0.93 C ATOM 0 H PHE A 153 68.024 1.005 1.109 1.00 0.60 H new ATOM 0 HA PHE A 153 65.435 0.324 2.145 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.048 0.840 -0.240 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.096 -0.565 -0.291 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.535 0.400 0.426 1.00 1.18 H new ATOM 0 HD2 PHE A 153 66.221 -2.649 -0.967 1.00 1.47 H new ATOM 0 HE1 PHE A 153 61.601 -1.019 -0.201 1.00 1.24 H new ATOM 0 HE2 PHE A 153 64.287 -4.068 -1.593 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.976 -3.255 -1.207 1.00 0.93 H new ATOM 1065 N LEU A 154 67.601 -2.117 2.200 1.00 0.72 N ATOM 1066 CA LEU A 154 67.771 -3.497 2.737 1.00 0.80 C ATOM 1067 C LEU A 154 67.260 -3.563 4.178 1.00 0.79 C ATOM 1068 O LEU A 154 66.428 -4.382 4.515 1.00 0.82 O ATOM 1069 CB LEU A 154 69.275 -3.762 2.686 1.00 0.92 C ATOM 1070 CG LEU A 154 69.564 -4.863 1.665 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.794 -6.129 2.047 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.120 -4.399 0.277 1.00 1.54 C ATOM 0 H LEU A 154 68.446 -1.689 1.821 1.00 0.72 H new ATOM 0 HA LEU A 154 67.211 -4.237 2.165 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.807 -2.850 2.414 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.636 -4.060 3.670 1.00 0.92 H new ATOM 0 HG LEU A 154 70.633 -5.076 1.654 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.000 -6.914 1.319 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.107 -6.461 3.037 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.725 -5.916 2.058 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.326 -5.183 -0.452 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.051 -4.186 0.289 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.667 -3.497 0.003 1.00 1.54 H new ATOM 1084 N GLU A 155 67.746 -2.703 5.030 1.00 0.79 N ATOM 1085 CA GLU A 155 67.283 -2.715 6.446 1.00 0.82 C ATOM 1086 C GLU A 155 65.835 -2.223 6.527 1.00 0.81 C ATOM 1087 O GLU A 155 65.101 -2.568 7.432 1.00 0.90 O ATOM 1088 CB GLU A 155 68.220 -1.755 7.180 1.00 0.85 C ATOM 1089 CG GLU A 155 68.349 -2.186 8.642 1.00 0.95 C ATOM 1090 CD GLU A 155 69.728 -1.792 9.172 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.628 -1.631 8.362 1.00 2.47 O ATOM 1092 OE2 GLU A 155 69.863 -1.659 10.377 1.00 2.27 O ATOM 0 H GLU A 155 68.443 -1.993 4.807 1.00 0.79 H new ATOM 0 HA GLU A 155 67.306 -3.714 6.882 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.200 -1.751 6.703 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.833 -0.738 7.122 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.570 -1.715 9.241 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.209 -3.264 8.728 1.00 0.95 H new ATOM 1099 N PHE A 156 65.420 -1.420 5.586 1.00 0.75 N ATOM 1100 CA PHE A 156 64.021 -0.907 5.604 1.00 0.78 C ATOM 1101 C PHE A 156 63.029 -2.072 5.615 1.00 0.84 C ATOM 1102 O PHE A 156 62.304 -2.276 6.568 1.00 0.90 O ATOM 1103 CB PHE A 156 63.883 -0.101 4.312 1.00 0.78 C ATOM 1104 CG PHE A 156 62.701 0.831 4.420 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.416 0.313 4.618 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.890 2.214 4.320 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.320 1.177 4.716 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.793 3.079 4.419 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.508 2.561 4.616 1.00 1.10 C ATOM 0 H PHE A 156 65.990 -1.097 4.804 1.00 0.75 H new ATOM 0 HA PHE A 156 63.813 -0.305 6.488 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.793 0.470 4.129 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.752 -0.774 3.464 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.270 -0.754 4.695 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.881 2.614 4.167 1.00 1.27 H new ATOM 0 HE1 PHE A 156 59.329 0.776 4.869 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.939 4.146 4.343 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.662 3.228 4.691 1.00 1.10 H new ATOM 1119 N MET A 157 62.990 -2.838 4.558 1.00 0.86 N ATOM 1120 CA MET A 157 62.045 -3.989 4.501 1.00 0.95 C ATOM 1121 C MET A 157 62.455 -5.070 5.506 1.00 0.99 C ATOM 1122 O MET A 157 61.719 -6.001 5.764 1.00 1.12 O ATOM 1123 CB MET A 157 62.158 -4.519 3.070 1.00 0.99 C ATOM 1124 CG MET A 157 60.834 -5.169 2.660 1.00 1.28 C ATOM 1125 SD MET A 157 59.526 -3.917 2.647 1.00 1.48 S ATOM 1126 CE MET A 157 59.932 -3.182 1.043 1.00 1.12 C ATOM 0 H MET A 157 63.573 -2.716 3.730 1.00 0.86 H new ATOM 0 HA MET A 157 61.026 -3.697 4.753 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.402 -3.705 2.388 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.968 -5.245 3.003 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.929 -5.621 1.673 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.579 -5.970 3.354 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.274 -2.157 1.188 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.720 -3.764 0.565 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.046 -3.182 0.408 1.00 1.12 H new ATOM 1136 N LYS A 158 63.625 -4.954 6.075 1.00 0.94 N ATOM 1137 CA LYS A 158 64.073 -5.978 7.062 1.00 1.02 C ATOM 1138 C LYS A 158 63.107 -6.024 8.248 1.00 1.05 C ATOM 1139 O LYS A 158 62.646 -7.076 8.645 1.00 1.20 O ATOM 1140 CB LYS A 158 65.459 -5.517 7.514 1.00 1.07 C ATOM 1141 CG LYS A 158 66.241 -6.712 8.062 1.00 1.26 C ATOM 1142 CD LYS A 158 67.741 -6.469 7.885 1.00 1.53 C ATOM 1143 CE LYS A 158 68.364 -7.637 7.116 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.630 -8.678 8.149 1.00 2.07 N ATOM 0 H LYS A 158 64.287 -4.198 5.900 1.00 0.94 H new ATOM 0 HA LYS A 158 64.099 -6.980 6.634 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.996 -5.070 6.677 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.366 -4.747 8.280 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.008 -6.859 9.117 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.946 -7.623 7.541 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.907 -5.536 7.346 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.220 -6.365 8.859 1.00 1.53 H new ATOM 0 HE2 LYS A 158 67.688 -8.008 6.346 1.00 1.45 H new ATOM 0 HE3 LYS A 158 69.283 -7.334 6.614 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.058 -9.512 7.699 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 69.282 -8.298 8.865 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.736 -8.951 8.605 1.00 2.07 H new ATOM 1158 N GLY A 159 62.796 -4.892 8.816 1.00 1.04 N ATOM 1159 CA GLY A 159 61.859 -4.872 9.975 1.00 1.14 C ATOM 1160 C GLY A 159 60.447 -4.552 9.481 1.00 1.14 C ATOM 1161 O GLY A 159 59.471 -4.793 10.163 1.00 1.38 O ATOM 0 H GLY A 159 63.150 -3.980 8.528 1.00 1.04 H new ATOM 0 HA2 GLY A 159 61.869 -5.837 10.482 1.00 1.14 H new ATOM 0 HA3 GLY A 159 62.179 -4.127 10.703 1.00 1.14 H new ATOM 1165 N VAL A 160 60.332 -4.012 8.299 1.00 1.42 N ATOM 1166 CA VAL A 160 58.984 -3.676 7.759 1.00 1.48 C ATOM 1167 C VAL A 160 58.424 -4.859 6.964 1.00 1.88 C ATOM 1168 O VAL A 160 58.960 -5.243 5.944 1.00 2.37 O ATOM 1169 CB VAL A 160 59.215 -2.471 6.844 1.00 1.32 C ATOM 1170 CG1 VAL A 160 58.017 -2.296 5.908 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.381 -1.212 7.696 1.00 1.49 C ATOM 0 H VAL A 160 61.114 -3.789 7.683 1.00 1.42 H new ATOM 0 HA VAL A 160 58.264 -3.456 8.547 1.00 1.48 H new ATOM 0 HB VAL A 160 60.115 -2.635 6.251 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.185 -1.437 5.258 1.00 1.35 H new ATOM 0 HG12 VAL A 160 57.896 -3.193 5.300 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.115 -2.133 6.498 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.546 -0.352 7.047 1.00 1.49 H new ATOM 0 HG22 VAL A 160 58.480 -1.052 8.288 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.236 -1.333 8.361 1.00 1.49 H new ATOM 1181 N GLU A 161 57.351 -5.442 7.425 1.00 2.17 N ATOM 1182 CA GLU A 161 56.760 -6.601 6.694 1.00 2.67 C ATOM 1183 C GLU A 161 55.738 -6.111 5.665 1.00 3.21 C ATOM 1184 O GLU A 161 55.041 -5.154 5.961 1.00 3.74 O ATOM 1185 CB GLU A 161 56.075 -7.441 7.773 1.00 3.19 C ATOM 1186 CG GLU A 161 57.017 -7.607 8.967 1.00 3.64 C ATOM 1187 CD GLU A 161 56.896 -9.028 9.518 1.00 4.40 C ATOM 1188 OE1 GLU A 161 55.778 -9.497 9.655 1.00 4.73 O ATOM 1189 OE2 GLU A 161 57.924 -9.625 9.796 1.00 5.03 O ATOM 1190 OXT GLU A 161 55.672 -6.699 4.599 1.00 3.58 O ATOM 0 H GLU A 161 56.858 -5.167 8.275 1.00 2.17 H new ATOM 0 HA GLU A 161 57.511 -7.172 6.148 1.00 2.67 H new ATOM 0 HB2 GLU A 161 55.150 -6.960 8.091 1.00 3.19 H new ATOM 0 HB3 GLU A 161 55.805 -8.418 7.371 1.00 3.19 H new ATOM 0 HG2 GLU A 161 58.045 -7.410 8.663 1.00 3.64 H new ATOM 0 HG3 GLU A 161 56.769 -6.882 9.743 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.089 7.726 -6.759 1.00 0.50 CA HETATM 1199 CA CA A 2 67.810 7.361 3.284 1.00 0.74 CA