USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 8 SER OG : rot 180:sc= 0.0717 USER MOD Set 1.2: A 39 MET CE :methyl -167:sc=-0.00658 (180deg=-0.181) USER MOD Set 1.3: A 43 GLN : amide:sc= -0.0767 X(o=-0.012,f=-0.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.142 (180deg=-0.0201) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -46:sc= 1.01 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 57:sc= 1.16 USER MOD Single : A 24 THR OG1 : rot 61:sc= 0.18 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot 142:sc= 0.484 USER MOD Single : A 37 SER OG : rot 63:sc= 0.923 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00915) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 42 ASN : amide:sc= 0.475 K(o=0.47,f=-2.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 55 GLN : amide:sc=-0.00757 X(o=-0.0076,f=-0.21) USER MOD Single : A 56 SER OG : rot -133:sc= 0.776 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= 1.17 (180deg=-0.344!) USER MOD Single : A 69 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0.701) USER MOD Single : A 73 SER OG : rot -61:sc= 0.858 USER MOD Single : A 79 THR OG1 : rot 177:sc= 1.02 USER MOD Single : A 81 SER OG : rot -160:sc= 1.28 USER MOD Single : A 83 THR OG1 : rot 121:sc= 0.091 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0334) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 87 MET CE :methyl -172:sc=-0.00311 (180deg=-0.0178) USER MOD Single : A 92 ASN : amide:sc= -0.106 K(o=-0.11,f=-3!) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.845) USER MOD Single : A 104 GLN : amide:sc= -0.705 X(o=-0.7,f=-0.88) USER MOD Single : A 106 MET CE :methyl -121:sc= -0.152 (180deg=-0.807) USER MOD Single : A 108 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.046) USER MOD Single : A 109 SER OG : rot -33:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.300 8.524 1.165 1.00 5.91 N ATOM 2 CA MET A 1 -18.196 7.882 0.436 1.00 4.72 C ATOM 3 C MET A 1 -17.259 7.245 1.448 1.00 3.83 C ATOM 4 O MET A 1 -17.352 7.571 2.629 1.00 4.27 O ATOM 5 CB MET A 1 -17.425 8.895 -0.424 1.00 6.14 C ATOM 6 CG MET A 1 -18.302 9.563 -1.493 1.00 7.32 C ATOM 7 SD MET A 1 -19.309 8.421 -2.472 1.00 8.04 S ATOM 8 CE MET A 1 -20.221 9.572 -3.519 1.00 9.36 C ATOM 0 H1 MET A 1 -20.207 8.148 0.823 1.00 5.91 H new ATOM 0 H2 MET A 1 -19.205 8.328 2.182 1.00 5.91 H new ATOM 0 H3 MET A 1 -19.270 9.551 1.007 1.00 5.91 H new ATOM 0 HA MET A 1 -18.606 7.128 -0.235 1.00 4.72 H new ATOM 0 HB2 MET A 1 -17.000 9.663 0.222 1.00 6.14 H new ATOM 0 HB3 MET A 1 -16.590 8.390 -0.910 1.00 6.14 H new ATOM 0 HG2 MET A 1 -18.962 10.280 -1.005 1.00 7.32 H new ATOM 0 HG3 MET A 1 -17.660 10.129 -2.168 1.00 7.32 H new ATOM 0 HE1 MET A 1 -20.885 9.015 -4.179 1.00 9.36 H new ATOM 0 HE2 MET A 1 -20.810 10.244 -2.894 1.00 9.36 H new ATOM 0 HE3 MET A 1 -19.520 10.154 -4.117 1.00 9.36 H new ATOM 20 N SER A 2 -16.373 6.378 0.966 1.00 2.83 N ATOM 21 CA SER A 2 -15.295 5.769 1.722 1.00 2.20 C ATOM 22 C SER A 2 -14.041 5.896 0.860 1.00 1.55 C ATOM 23 O SER A 2 -14.107 6.452 -0.232 1.00 1.86 O ATOM 24 CB SER A 2 -15.657 4.307 2.016 1.00 2.85 C ATOM 25 OG SER A 2 -16.901 4.256 2.691 1.00 4.00 O ATOM 0 H SER A 2 -16.392 6.070 -0.006 1.00 2.83 H new ATOM 0 HA SER A 2 -15.125 6.253 2.684 1.00 2.20 H new ATOM 0 HB2 SER A 2 -15.712 3.741 1.086 1.00 2.85 H new ATOM 0 HB3 SER A 2 -14.881 3.844 2.626 1.00 2.85 H new ATOM 0 HG SER A 2 -17.134 3.323 2.878 1.00 4.00 H new ATOM 31 N ILE A 3 -12.908 5.370 1.325 1.00 1.28 N ATOM 32 CA ILE A 3 -11.624 5.412 0.623 1.00 0.88 C ATOM 33 C ILE A 3 -11.770 5.052 -0.862 1.00 0.72 C ATOM 34 O ILE A 3 -11.234 5.728 -1.743 1.00 0.76 O ATOM 35 CB ILE A 3 -10.594 4.525 1.358 1.00 1.45 C ATOM 36 CG1 ILE A 3 -10.965 3.030 1.407 1.00 2.29 C ATOM 37 CG2 ILE A 3 -10.452 5.021 2.801 1.00 1.77 C ATOM 38 CD1 ILE A 3 -10.329 2.226 0.272 1.00 2.45 C ATOM 0 H ILE A 3 -12.856 4.890 2.224 1.00 1.28 H new ATOM 0 HA ILE A 3 -11.250 6.436 0.638 1.00 0.88 H new ATOM 0 HB ILE A 3 -9.667 4.607 0.791 1.00 1.45 H new ATOM 0 HG12 ILE A 3 -10.649 2.613 2.363 1.00 2.29 H new ATOM 0 HG13 ILE A 3 -12.049 2.927 1.356 1.00 2.29 H new ATOM 0 HG21 ILE A 3 -9.727 4.402 3.329 1.00 1.77 H new ATOM 0 HG22 ILE A 3 -10.111 6.056 2.798 1.00 1.77 H new ATOM 0 HG23 ILE A 3 -11.417 4.959 3.304 1.00 1.77 H new ATOM 0 HD11 ILE A 3 -10.625 1.180 0.357 1.00 2.45 H new ATOM 0 HD12 ILE A 3 -10.665 2.622 -0.687 1.00 2.45 H new ATOM 0 HD13 ILE A 3 -9.244 2.302 0.336 1.00 2.45 H new ATOM 50 N THR A 4 -12.563 4.019 -1.146 1.00 0.87 N ATOM 51 CA THR A 4 -12.879 3.523 -2.459 1.00 1.15 C ATOM 52 C THR A 4 -13.992 4.421 -3.026 1.00 1.24 C ATOM 53 O THR A 4 -15.067 3.936 -3.361 1.00 2.29 O ATOM 54 CB THR A 4 -13.241 2.026 -2.305 1.00 1.58 C ATOM 55 OG1 THR A 4 -13.903 1.583 -3.449 1.00 1.63 O ATOM 56 CG2 THR A 4 -14.180 1.714 -1.128 1.00 2.19 C ATOM 0 H THR A 4 -13.023 3.482 -0.411 1.00 0.87 H new ATOM 0 HA THR A 4 -12.058 3.566 -3.175 1.00 1.15 H new ATOM 0 HB THR A 4 -12.288 1.526 -2.132 1.00 1.58 H new ATOM 0 HG1 THR A 4 -14.594 2.231 -3.699 1.00 1.63 H new ATOM 0 HG21 THR A 4 -14.380 0.643 -1.096 1.00 2.19 H new ATOM 0 HG22 THR A 4 -13.709 2.023 -0.195 1.00 2.19 H new ATOM 0 HG23 THR A 4 -15.118 2.254 -1.257 1.00 2.19 H new ATOM 64 N ASP A 5 -13.718 5.727 -3.106 1.00 1.22 N ATOM 65 CA ASP A 5 -14.580 6.759 -3.679 1.00 1.53 C ATOM 66 C ASP A 5 -13.942 8.128 -3.440 1.00 1.80 C ATOM 67 O ASP A 5 -13.848 8.941 -4.354 1.00 3.38 O ATOM 68 CB ASP A 5 -15.995 6.770 -3.066 1.00 1.52 C ATOM 69 CG ASP A 5 -17.063 6.032 -3.861 1.00 2.68 C ATOM 70 OD1 ASP A 5 -17.049 6.152 -5.105 1.00 3.82 O ATOM 71 OD2 ASP A 5 -17.929 5.428 -3.187 1.00 3.31 O ATOM 0 H ASP A 5 -12.841 6.110 -2.753 1.00 1.22 H new ATOM 0 HA ASP A 5 -14.680 6.538 -4.742 1.00 1.53 H new ATOM 0 HB2 ASP A 5 -15.943 6.333 -2.069 1.00 1.52 H new ATOM 0 HB3 ASP A 5 -16.310 7.806 -2.943 1.00 1.52 H new ATOM 76 N VAL A 6 -13.530 8.383 -2.190 1.00 0.62 N ATOM 77 CA VAL A 6 -13.073 9.681 -1.687 1.00 0.65 C ATOM 78 C VAL A 6 -12.089 10.355 -2.639 1.00 0.47 C ATOM 79 O VAL A 6 -12.126 11.568 -2.834 1.00 0.46 O ATOM 80 CB VAL A 6 -12.487 9.531 -0.258 1.00 0.85 C ATOM 81 CG1 VAL A 6 -10.955 9.542 -0.130 1.00 1.22 C ATOM 82 CG2 VAL A 6 -13.074 10.587 0.683 1.00 1.89 C ATOM 0 H VAL A 6 -13.506 7.658 -1.473 1.00 0.62 H new ATOM 0 HA VAL A 6 -13.939 10.340 -1.631 1.00 0.65 H new ATOM 0 HB VAL A 6 -12.787 8.522 0.026 1.00 0.85 H new ATOM 0 HG11 VAL A 6 -10.677 9.430 0.918 1.00 1.22 H new ATOM 0 HG12 VAL A 6 -10.536 8.718 -0.707 1.00 1.22 H new ATOM 0 HG13 VAL A 6 -10.565 10.486 -0.510 1.00 1.22 H new ATOM 0 HG21 VAL A 6 -12.649 10.463 1.679 1.00 1.89 H new ATOM 0 HG22 VAL A 6 -12.835 11.582 0.308 1.00 1.89 H new ATOM 0 HG23 VAL A 6 -14.156 10.469 0.733 1.00 1.89 H new ATOM 92 N LEU A 7 -11.180 9.543 -3.174 1.00 0.47 N ATOM 93 CA LEU A 7 -10.037 9.951 -3.965 1.00 0.60 C ATOM 94 C LEU A 7 -9.373 8.665 -4.430 1.00 0.69 C ATOM 95 O LEU A 7 -9.315 8.379 -5.622 1.00 0.75 O ATOM 96 CB LEU A 7 -9.094 10.784 -3.085 1.00 0.85 C ATOM 97 CG LEU A 7 -7.752 11.091 -3.765 1.00 1.08 C ATOM 98 CD1 LEU A 7 -7.616 12.609 -3.886 1.00 1.64 C ATOM 99 CD2 LEU A 7 -6.590 10.555 -2.923 1.00 1.63 C ATOM 0 H LEU A 7 -11.230 8.531 -3.057 1.00 0.47 H new ATOM 0 HA LEU A 7 -10.313 10.567 -4.821 1.00 0.60 H new ATOM 0 HB2 LEU A 7 -9.585 11.721 -2.823 1.00 0.85 H new ATOM 0 HB3 LEU A 7 -8.909 10.249 -2.153 1.00 0.85 H new ATOM 0 HG LEU A 7 -7.724 10.615 -4.745 1.00 1.08 H new ATOM 0 HD11 LEU A 7 -6.669 12.852 -4.367 1.00 1.64 H new ATOM 0 HD12 LEU A 7 -8.438 13.001 -4.485 1.00 1.64 H new ATOM 0 HD13 LEU A 7 -7.644 13.057 -2.893 1.00 1.64 H new ATOM 0 HD21 LEU A 7 -5.646 10.781 -3.419 1.00 1.63 H new ATOM 0 HD22 LEU A 7 -6.605 11.026 -1.940 1.00 1.63 H new ATOM 0 HD23 LEU A 7 -6.691 9.476 -2.809 1.00 1.63 H new ATOM 111 N SER A 8 -8.948 7.862 -3.450 1.00 0.78 N ATOM 112 CA SER A 8 -8.115 6.697 -3.643 1.00 0.89 C ATOM 113 C SER A 8 -8.638 5.741 -4.715 1.00 0.87 C ATOM 114 O SER A 8 -7.834 5.076 -5.345 1.00 0.89 O ATOM 115 CB SER A 8 -7.905 6.018 -2.293 1.00 0.98 C ATOM 116 OG SER A 8 -7.683 7.005 -1.300 1.00 1.10 O ATOM 0 H SER A 8 -9.189 8.020 -2.472 1.00 0.78 H new ATOM 0 HA SER A 8 -7.151 7.023 -4.034 1.00 0.89 H new ATOM 0 HB2 SER A 8 -8.777 5.417 -2.036 1.00 0.98 H new ATOM 0 HB3 SER A 8 -7.054 5.339 -2.343 1.00 0.98 H new ATOM 0 HG SER A 8 -7.549 6.571 -0.432 1.00 1.10 H new ATOM 122 N ALA A 9 -9.953 5.666 -4.947 1.00 0.83 N ATOM 123 CA ALA A 9 -10.524 4.920 -6.070 1.00 0.83 C ATOM 124 C ALA A 9 -9.861 5.254 -7.417 1.00 0.81 C ATOM 125 O ALA A 9 -9.534 4.362 -8.200 1.00 0.82 O ATOM 126 CB ALA A 9 -12.025 5.195 -6.151 1.00 0.86 C ATOM 0 H ALA A 9 -10.651 6.122 -4.360 1.00 0.83 H new ATOM 0 HA ALA A 9 -10.336 3.863 -5.881 1.00 0.83 H new ATOM 0 HB1 ALA A 9 -12.452 4.640 -6.987 1.00 0.86 H new ATOM 0 HB2 ALA A 9 -12.503 4.879 -5.224 1.00 0.86 H new ATOM 0 HB3 ALA A 9 -12.192 6.262 -6.300 1.00 0.86 H new ATOM 132 N ASP A 10 -9.673 6.541 -7.703 1.00 0.80 N ATOM 133 CA ASP A 10 -9.053 6.974 -8.949 1.00 0.80 C ATOM 134 C ASP A 10 -7.587 6.516 -8.961 1.00 0.81 C ATOM 135 O ASP A 10 -7.072 5.956 -9.931 1.00 0.85 O ATOM 136 CB ASP A 10 -9.195 8.501 -9.047 1.00 0.85 C ATOM 137 CG ASP A 10 -8.912 9.057 -10.438 1.00 0.86 C ATOM 138 OD1 ASP A 10 -8.418 8.293 -11.292 1.00 1.77 O ATOM 139 OD2 ASP A 10 -9.225 10.253 -10.631 1.00 1.87 O ATOM 0 H ASP A 10 -9.944 7.304 -7.083 1.00 0.80 H new ATOM 0 HA ASP A 10 -9.538 6.531 -9.819 1.00 0.80 H new ATOM 0 HB2 ASP A 10 -10.206 8.782 -8.752 1.00 0.85 H new ATOM 0 HB3 ASP A 10 -8.514 8.966 -8.334 1.00 0.85 H new ATOM 144 N ASP A 11 -6.923 6.692 -7.817 1.00 0.81 N ATOM 145 CA ASP A 11 -5.511 6.406 -7.679 1.00 0.83 C ATOM 146 C ASP A 11 -5.270 4.911 -7.876 1.00 0.83 C ATOM 147 O ASP A 11 -4.427 4.507 -8.671 1.00 0.82 O ATOM 148 CB ASP A 11 -5.005 6.877 -6.314 1.00 0.86 C ATOM 149 CG ASP A 11 -5.145 8.374 -6.089 1.00 1.28 C ATOM 150 OD1 ASP A 11 -4.264 9.120 -6.568 1.00 2.28 O ATOM 151 OD2 ASP A 11 -6.111 8.747 -5.391 1.00 2.10 O ATOM 0 H ASP A 11 -7.359 7.038 -6.963 1.00 0.81 H new ATOM 0 HA ASP A 11 -4.954 6.948 -8.443 1.00 0.83 H new ATOM 0 HB2 ASP A 11 -5.552 6.349 -5.533 1.00 0.86 H new ATOM 0 HB3 ASP A 11 -3.956 6.600 -6.211 1.00 0.86 H new ATOM 156 N ILE A 12 -6.026 4.062 -7.178 1.00 0.89 N ATOM 157 CA ILE A 12 -5.933 2.629 -7.343 1.00 0.92 C ATOM 158 C ILE A 12 -6.258 2.212 -8.777 1.00 0.96 C ATOM 159 O ILE A 12 -5.537 1.384 -9.328 1.00 0.96 O ATOM 160 CB ILE A 12 -6.746 1.870 -6.291 1.00 0.98 C ATOM 161 CG1 ILE A 12 -8.258 2.024 -6.474 1.00 0.98 C ATOM 162 CG2 ILE A 12 -6.240 2.161 -4.871 1.00 0.97 C ATOM 163 CD1 ILE A 12 -9.098 1.443 -5.340 1.00 1.21 C ATOM 0 H ILE A 12 -6.715 4.357 -6.487 1.00 0.89 H new ATOM 0 HA ILE A 12 -4.896 2.343 -7.167 1.00 0.92 H new ATOM 0 HB ILE A 12 -6.574 0.806 -6.451 1.00 0.98 H new ATOM 0 HG12 ILE A 12 -8.492 3.084 -6.576 1.00 0.98 H new ATOM 0 HG13 ILE A 12 -8.549 1.542 -7.407 1.00 0.98 H new ATOM 0 HG21 ILE A 12 -6.840 1.606 -4.150 1.00 0.97 H new ATOM 0 HG22 ILE A 12 -5.197 1.856 -4.787 1.00 0.97 H new ATOM 0 HG23 ILE A 12 -6.323 3.228 -4.667 1.00 0.97 H new ATOM 0 HD11 ILE A 12 -10.155 1.597 -5.555 1.00 1.21 H new ATOM 0 HD12 ILE A 12 -8.898 0.375 -5.249 1.00 1.21 H new ATOM 0 HD13 ILE A 12 -8.841 1.941 -4.405 1.00 1.21 H new ATOM 175 N ALA A 13 -7.274 2.809 -9.412 1.00 1.00 N ATOM 176 CA ALA A 13 -7.556 2.547 -10.819 1.00 1.06 C ATOM 177 C ALA A 13 -6.317 2.803 -11.685 1.00 1.04 C ATOM 178 O ALA A 13 -6.002 2.005 -12.570 1.00 1.07 O ATOM 179 CB ALA A 13 -8.766 3.360 -11.288 1.00 1.10 C ATOM 0 H ALA A 13 -7.910 3.474 -8.971 1.00 1.00 H new ATOM 0 HA ALA A 13 -7.810 1.493 -10.931 1.00 1.06 H new ATOM 0 HB1 ALA A 13 -8.960 3.150 -12.340 1.00 1.10 H new ATOM 0 HB2 ALA A 13 -9.640 3.086 -10.697 1.00 1.10 H new ATOM 0 HB3 ALA A 13 -8.561 4.423 -11.162 1.00 1.10 H new ATOM 185 N ALA A 14 -5.579 3.888 -11.424 1.00 1.00 N ATOM 186 CA ALA A 14 -4.291 4.094 -12.080 1.00 1.03 C ATOM 187 C ALA A 14 -3.299 2.987 -11.706 1.00 1.06 C ATOM 188 O ALA A 14 -2.722 2.347 -12.584 1.00 1.09 O ATOM 189 CB ALA A 14 -3.713 5.471 -11.749 1.00 0.97 C ATOM 0 H ALA A 14 -5.849 4.625 -10.773 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.460 4.050 -13.156 1.00 1.03 H new ATOM 0 HB1 ALA A 14 -2.754 5.594 -12.252 1.00 0.97 H new ATOM 0 HB2 ALA A 14 -4.402 6.245 -12.087 1.00 0.97 H new ATOM 0 HB3 ALA A 14 -3.571 5.557 -10.672 1.00 0.97 H new ATOM 195 N ALA A 15 -3.086 2.764 -10.405 1.00 1.05 N ATOM 196 CA ALA A 15 -2.105 1.832 -9.870 1.00 1.05 C ATOM 197 C ALA A 15 -2.254 0.448 -10.495 1.00 1.12 C ATOM 198 O ALA A 15 -1.279 -0.176 -10.906 1.00 1.15 O ATOM 199 CB ALA A 15 -2.230 1.757 -8.345 1.00 1.01 C ATOM 0 H ALA A 15 -3.612 3.246 -9.677 1.00 1.05 H new ATOM 0 HA ALA A 15 -1.111 2.199 -10.124 1.00 1.05 H new ATOM 0 HB1 ALA A 15 -1.492 1.057 -7.953 1.00 1.01 H new ATOM 0 HB2 ALA A 15 -2.057 2.744 -7.917 1.00 1.01 H new ATOM 0 HB3 ALA A 15 -3.230 1.416 -8.078 1.00 1.01 H new ATOM 205 N LEU A 16 -3.499 -0.004 -10.593 1.00 1.14 N ATOM 206 CA LEU A 16 -3.899 -1.235 -11.249 1.00 1.13 C ATOM 207 C LEU A 16 -3.245 -1.327 -12.633 1.00 1.13 C ATOM 208 O LEU A 16 -2.656 -2.349 -12.981 1.00 1.14 O ATOM 209 CB LEU A 16 -5.439 -1.275 -11.283 1.00 1.09 C ATOM 210 CG LEU A 16 -6.085 -2.174 -12.348 1.00 1.20 C ATOM 211 CD1 LEU A 16 -5.747 -3.656 -12.157 1.00 1.93 C ATOM 212 CD2 LEU A 16 -7.606 -1.989 -12.279 1.00 2.59 C ATOM 0 H LEU A 16 -4.290 0.504 -10.198 1.00 1.14 H new ATOM 0 HA LEU A 16 -3.556 -2.114 -10.704 1.00 1.13 H new ATOM 0 HB2 LEU A 16 -5.792 -1.600 -10.304 1.00 1.09 H new ATOM 0 HB3 LEU A 16 -5.802 -0.258 -11.431 1.00 1.09 H new ATOM 0 HG LEU A 16 -5.690 -1.879 -13.320 1.00 1.20 H new ATOM 0 HD11 LEU A 16 -6.230 -4.243 -12.938 1.00 1.93 H new ATOM 0 HD12 LEU A 16 -4.667 -3.793 -12.216 1.00 1.93 H new ATOM 0 HD13 LEU A 16 -6.102 -3.987 -11.181 1.00 1.93 H new ATOM 0 HD21 LEU A 16 -8.084 -2.620 -13.029 1.00 2.59 H new ATOM 0 HD22 LEU A 16 -7.962 -2.270 -11.288 1.00 2.59 H new ATOM 0 HD23 LEU A 16 -7.855 -0.945 -12.471 1.00 2.59 H new ATOM 224 N GLN A 17 -3.329 -0.251 -13.420 1.00 1.12 N ATOM 225 CA GLN A 17 -2.771 -0.214 -14.766 1.00 1.11 C ATOM 226 C GLN A 17 -1.275 0.097 -14.794 1.00 1.09 C ATOM 227 O GLN A 17 -0.599 -0.286 -15.748 1.00 0.87 O ATOM 228 CB GLN A 17 -3.533 0.791 -15.634 1.00 1.10 C ATOM 229 CG GLN A 17 -4.704 0.099 -16.334 1.00 1.90 C ATOM 230 CD GLN A 17 -5.413 1.064 -17.273 1.00 2.13 C ATOM 231 OE1 GLN A 17 -5.051 1.181 -18.438 1.00 2.32 O ATOM 232 NE2 GLN A 17 -6.424 1.767 -16.775 1.00 3.17 N ATOM 0 H GLN A 17 -3.786 0.616 -13.138 1.00 1.12 H new ATOM 0 HA GLN A 17 -2.889 -1.218 -15.173 1.00 1.11 H new ATOM 0 HB2 GLN A 17 -3.901 1.611 -15.017 1.00 1.10 H new ATOM 0 HB3 GLN A 17 -2.862 1.226 -16.375 1.00 1.10 H new ATOM 0 HG2 GLN A 17 -4.342 -0.762 -16.895 1.00 1.90 H new ATOM 0 HG3 GLN A 17 -5.408 -0.277 -15.591 1.00 1.90 H new ATOM 0 HE21 GLN A 17 -6.699 1.645 -15.800 1.00 3.17 H new ATOM 0 HE22 GLN A 17 -6.925 2.429 -17.367 1.00 3.17 H new ATOM 241 N GLU A 18 -0.729 0.823 -13.821 1.00 1.35 N ATOM 242 CA GLU A 18 0.709 1.051 -13.828 1.00 1.45 C ATOM 243 C GLU A 18 1.436 -0.257 -13.461 1.00 1.51 C ATOM 244 O GLU A 18 2.411 -0.629 -14.113 1.00 1.59 O ATOM 245 CB GLU A 18 1.059 2.340 -13.070 1.00 1.47 C ATOM 246 CG GLU A 18 1.211 2.230 -11.554 1.00 1.79 C ATOM 247 CD GLU A 18 2.659 2.076 -11.110 1.00 2.51 C ATOM 248 OE1 GLU A 18 3.464 2.959 -11.471 1.00 2.68 O ATOM 249 OE2 GLU A 18 2.928 1.082 -10.406 1.00 3.69 O ATOM 0 H GLU A 18 -1.239 1.248 -13.047 1.00 1.35 H new ATOM 0 HA GLU A 18 1.097 1.275 -14.821 1.00 1.45 H new ATOM 0 HB2 GLU A 18 1.992 2.730 -13.477 1.00 1.47 H new ATOM 0 HB3 GLU A 18 0.285 3.078 -13.281 1.00 1.47 H new ATOM 0 HG2 GLU A 18 0.786 3.118 -11.087 1.00 1.79 H new ATOM 0 HG3 GLU A 18 0.635 1.376 -11.198 1.00 1.79 H new ATOM 256 N CYS A 19 0.872 -1.035 -12.528 1.00 1.50 N ATOM 257 CA CYS A 19 1.348 -2.366 -12.137 1.00 1.60 C ATOM 258 C CYS A 19 0.664 -3.492 -12.935 1.00 1.31 C ATOM 259 O CYS A 19 0.401 -4.571 -12.392 1.00 1.53 O ATOM 260 CB CYS A 19 1.120 -2.565 -10.628 1.00 2.01 C ATOM 261 SG CYS A 19 2.351 -1.685 -9.644 1.00 2.50 S ATOM 0 H CYS A 19 0.044 -0.744 -12.008 1.00 1.50 H new ATOM 0 HA CYS A 19 2.413 -2.421 -12.364 1.00 1.60 H new ATOM 0 HB2 CYS A 19 0.123 -2.214 -10.361 1.00 2.01 H new ATOM 0 HB3 CYS A 19 1.158 -3.628 -10.392 1.00 2.01 H new ATOM 0 HG CYS A 19 2.328 -0.422 -9.950 1.00 2.50 H new ATOM 267 N ARG A 20 0.403 -3.305 -14.239 1.00 0.99 N ATOM 268 CA ARG A 20 -0.094 -4.421 -15.056 1.00 0.89 C ATOM 269 C ARG A 20 1.034 -5.414 -15.314 1.00 0.75 C ATOM 270 O ARG A 20 0.823 -6.626 -15.328 1.00 1.04 O ATOM 271 CB ARG A 20 -0.784 -4.009 -16.372 1.00 0.89 C ATOM 272 CG ARG A 20 0.121 -3.667 -17.571 1.00 2.37 C ATOM 273 CD ARG A 20 0.530 -2.208 -17.472 1.00 3.68 C ATOM 274 NE ARG A 20 1.406 -1.769 -18.555 1.00 5.39 N ATOM 275 CZ ARG A 20 1.393 -0.505 -19.001 1.00 6.81 C ATOM 276 NH1 ARG A 20 0.740 0.432 -18.292 1.00 7.08 N ATOM 277 NH2 ARG A 20 2.003 -0.194 -20.149 1.00 8.26 N ATOM 0 H ARG A 20 0.523 -2.422 -14.736 1.00 0.99 H new ATOM 0 HA ARG A 20 -0.884 -4.891 -14.471 1.00 0.89 H new ATOM 0 HB2 ARG A 20 -1.448 -4.820 -16.672 1.00 0.89 H new ATOM 0 HB3 ARG A 20 -1.412 -3.142 -16.166 1.00 0.89 H new ATOM 0 HG2 ARG A 20 1.003 -4.307 -17.573 1.00 2.37 H new ATOM 0 HG3 ARG A 20 -0.407 -3.849 -18.507 1.00 2.37 H new ATOM 0 HD2 ARG A 20 -0.367 -1.588 -17.468 1.00 3.68 H new ATOM 0 HD3 ARG A 20 1.035 -2.045 -16.520 1.00 3.68 H new ATOM 0 HE ARG A 20 2.043 -2.441 -18.983 1.00 5.39 H new ATOM 0 HH11 ARG A 20 0.263 0.177 -17.427 1.00 7.08 H new ATOM 0 HH12 ARG A 20 0.721 1.398 -18.619 1.00 7.08 H new ATOM 0 HH21 ARG A 20 2.479 -0.919 -20.686 1.00 8.26 H new ATOM 0 HH22 ARG A 20 1.993 0.768 -20.488 1.00 8.26 H new ATOM 291 N ASP A 21 2.237 -4.885 -15.512 1.00 0.65 N ATOM 292 CA ASP A 21 3.416 -5.654 -15.848 1.00 0.75 C ATOM 293 C ASP A 21 4.039 -6.204 -14.551 1.00 0.73 C ATOM 294 O ASP A 21 3.978 -5.529 -13.523 1.00 0.59 O ATOM 295 CB ASP A 21 4.342 -4.729 -16.653 1.00 0.86 C ATOM 296 CG ASP A 21 3.875 -4.580 -18.101 1.00 1.04 C ATOM 297 OD1 ASP A 21 3.939 -5.601 -18.819 1.00 1.87 O ATOM 298 OD2 ASP A 21 3.433 -3.464 -18.463 1.00 2.03 O ATOM 0 H ASP A 21 2.417 -3.884 -15.440 1.00 0.65 H new ATOM 0 HA ASP A 21 3.200 -6.526 -16.466 1.00 0.75 H new ATOM 0 HB2 ASP A 21 4.377 -3.748 -16.179 1.00 0.86 H new ATOM 0 HB3 ASP A 21 5.357 -5.127 -16.637 1.00 0.86 H new ATOM 303 N PRO A 22 4.569 -7.439 -14.548 1.00 0.97 N ATOM 304 CA PRO A 22 5.120 -8.076 -13.356 1.00 1.08 C ATOM 305 C PRO A 22 6.415 -7.412 -12.900 1.00 1.08 C ATOM 306 O PRO A 22 7.141 -6.846 -13.714 1.00 1.39 O ATOM 307 CB PRO A 22 5.342 -9.543 -13.738 1.00 1.29 C ATOM 308 CG PRO A 22 5.603 -9.461 -15.242 1.00 1.37 C ATOM 309 CD PRO A 22 4.678 -8.329 -15.693 1.00 1.18 C ATOM 0 HA PRO A 22 4.440 -7.981 -12.510 1.00 1.08 H new ATOM 0 HB2 PRO A 22 6.187 -9.978 -13.203 1.00 1.29 H new ATOM 0 HB3 PRO A 22 4.471 -10.157 -13.511 1.00 1.29 H new ATOM 0 HG2 PRO A 22 6.648 -9.238 -15.458 1.00 1.37 H new ATOM 0 HG3 PRO A 22 5.367 -10.399 -15.744 1.00 1.37 H new ATOM 0 HD2 PRO A 22 5.088 -7.808 -16.558 1.00 1.18 H new ATOM 0 HD3 PRO A 22 3.701 -8.713 -15.986 1.00 1.18 H new ATOM 317 N ASP A 23 6.670 -7.468 -11.587 1.00 0.94 N ATOM 318 CA ASP A 23 7.850 -6.935 -10.923 1.00 0.93 C ATOM 319 C ASP A 23 8.072 -5.432 -11.204 1.00 0.85 C ATOM 320 O ASP A 23 9.174 -4.925 -11.009 1.00 1.08 O ATOM 321 CB ASP A 23 9.097 -7.776 -11.269 1.00 1.10 C ATOM 322 CG ASP A 23 8.957 -9.270 -10.980 1.00 1.32 C ATOM 323 OD1 ASP A 23 8.407 -9.975 -11.855 1.00 2.19 O ATOM 324 OD2 ASP A 23 9.431 -9.702 -9.904 1.00 2.29 O ATOM 0 H ASP A 23 6.023 -7.909 -10.933 1.00 0.94 H new ATOM 0 HA ASP A 23 7.675 -7.012 -9.850 1.00 0.93 H new ATOM 0 HB2 ASP A 23 9.326 -7.644 -12.326 1.00 1.10 H new ATOM 0 HB3 ASP A 23 9.947 -7.389 -10.708 1.00 1.10 H new ATOM 329 N THR A 24 7.036 -4.703 -11.645 1.00 0.69 N ATOM 330 CA THR A 24 7.124 -3.306 -12.073 1.00 0.58 C ATOM 331 C THR A 24 6.845 -2.358 -10.912 1.00 0.62 C ATOM 332 O THR A 24 7.289 -1.212 -10.922 1.00 0.95 O ATOM 333 CB THR A 24 6.145 -3.081 -13.236 1.00 0.56 C ATOM 334 OG1 THR A 24 6.596 -3.853 -14.326 1.00 0.76 O ATOM 335 CG2 THR A 24 6.034 -1.624 -13.698 1.00 0.85 C ATOM 0 H THR A 24 6.091 -5.082 -11.714 1.00 0.69 H new ATOM 0 HA THR A 24 8.137 -3.092 -12.415 1.00 0.58 H new ATOM 0 HB THR A 24 5.155 -3.368 -12.880 1.00 0.56 H new ATOM 0 HG1 THR A 24 6.603 -4.800 -14.075 1.00 0.76 H new ATOM 0 HG21 THR A 24 5.323 -1.556 -14.521 1.00 0.85 H new ATOM 0 HG22 THR A 24 5.690 -1.005 -12.869 1.00 0.85 H new ATOM 0 HG23 THR A 24 7.010 -1.273 -14.033 1.00 0.85 H new ATOM 343 N PHE A 25 6.087 -2.834 -9.922 1.00 0.45 N ATOM 344 CA PHE A 25 5.759 -2.083 -8.725 1.00 0.61 C ATOM 345 C PHE A 25 7.032 -1.483 -8.127 1.00 0.67 C ATOM 346 O PHE A 25 7.949 -2.221 -7.777 1.00 1.20 O ATOM 347 CB PHE A 25 5.082 -3.042 -7.737 1.00 0.97 C ATOM 348 CG PHE A 25 4.398 -2.404 -6.543 1.00 1.59 C ATOM 349 CD1 PHE A 25 5.146 -1.687 -5.590 1.00 2.77 C ATOM 350 CD2 PHE A 25 3.023 -2.619 -6.325 1.00 2.06 C ATOM 351 CE1 PHE A 25 4.509 -1.105 -4.487 1.00 3.46 C ATOM 352 CE2 PHE A 25 2.401 -2.105 -5.176 1.00 2.77 C ATOM 353 CZ PHE A 25 3.142 -1.334 -4.269 1.00 3.21 C ATOM 0 H PHE A 25 5.680 -3.769 -9.937 1.00 0.45 H new ATOM 0 HA PHE A 25 5.082 -1.260 -8.955 1.00 0.61 H new ATOM 0 HB2 PHE A 25 4.342 -3.629 -8.282 1.00 0.97 H new ATOM 0 HB3 PHE A 25 5.834 -3.740 -7.368 1.00 0.97 H new ATOM 0 HD1 PHE A 25 6.215 -1.585 -5.710 1.00 2.77 H new ATOM 0 HD2 PHE A 25 2.445 -3.181 -7.044 1.00 2.06 H new ATOM 0 HE1 PHE A 25 5.069 -0.481 -3.806 1.00 3.46 H new ATOM 0 HE2 PHE A 25 1.355 -2.303 -4.991 1.00 2.77 H new ATOM 0 HZ PHE A 25 2.659 -0.915 -3.399 1.00 3.21 H new ATOM 363 N GLU A 26 7.064 -0.159 -7.966 1.00 0.57 N ATOM 364 CA GLU A 26 8.085 0.554 -7.203 1.00 0.56 C ATOM 365 C GLU A 26 7.427 1.212 -5.981 1.00 0.61 C ATOM 366 O GLU A 26 6.247 1.553 -6.041 1.00 0.59 O ATOM 367 CB GLU A 26 8.755 1.625 -8.079 1.00 0.53 C ATOM 368 CG GLU A 26 10.251 1.403 -8.343 1.00 0.83 C ATOM 369 CD GLU A 26 10.983 2.736 -8.248 1.00 1.57 C ATOM 370 OE1 GLU A 26 10.733 3.580 -9.136 1.00 2.00 O ATOM 371 OE2 GLU A 26 11.701 2.919 -7.242 1.00 2.73 O ATOM 0 H GLU A 26 6.363 0.460 -8.373 1.00 0.57 H new ATOM 0 HA GLU A 26 8.850 -0.150 -6.875 1.00 0.56 H new ATOM 0 HB2 GLU A 26 8.235 1.668 -9.036 1.00 0.53 H new ATOM 0 HB3 GLU A 26 8.626 2.596 -7.602 1.00 0.53 H new ATOM 0 HG2 GLU A 26 10.659 0.699 -7.618 1.00 0.83 H new ATOM 0 HG3 GLU A 26 10.397 0.965 -9.330 1.00 0.83 H new ATOM 378 N PRO A 27 8.170 1.426 -4.884 1.00 0.71 N ATOM 379 CA PRO A 27 7.632 1.962 -3.644 1.00 0.77 C ATOM 380 C PRO A 27 7.166 3.409 -3.813 1.00 0.62 C ATOM 381 O PRO A 27 5.968 3.666 -3.802 1.00 0.54 O ATOM 382 CB PRO A 27 8.749 1.800 -2.609 1.00 0.95 C ATOM 383 CG PRO A 27 10.033 1.774 -3.448 1.00 1.03 C ATOM 384 CD PRO A 27 9.583 1.117 -4.747 1.00 0.84 C ATOM 0 HA PRO A 27 6.737 1.431 -3.320 1.00 0.77 H new ATOM 0 HB2 PRO A 27 8.755 2.624 -1.896 1.00 0.95 H new ATOM 0 HB3 PRO A 27 8.630 0.882 -2.034 1.00 0.95 H new ATOM 0 HG2 PRO A 27 10.424 2.777 -3.618 1.00 1.03 H new ATOM 0 HG3 PRO A 27 10.822 1.203 -2.960 1.00 1.03 H new ATOM 0 HD2 PRO A 27 10.150 1.501 -5.595 1.00 0.84 H new ATOM 0 HD3 PRO A 27 9.746 0.040 -4.716 1.00 0.84 H new ATOM 392 N GLN A 28 8.093 4.362 -3.975 1.00 0.65 N ATOM 393 CA GLN A 28 7.776 5.779 -4.129 1.00 0.59 C ATOM 394 C GLN A 28 6.781 5.984 -5.273 1.00 0.48 C ATOM 395 O GLN A 28 5.789 6.698 -5.116 1.00 0.53 O ATOM 396 CB GLN A 28 9.062 6.582 -4.355 1.00 0.74 C ATOM 397 CG GLN A 28 9.903 6.646 -3.072 1.00 0.79 C ATOM 398 CD GLN A 28 11.198 7.421 -3.291 1.00 1.06 C ATOM 399 OE1 GLN A 28 11.350 8.540 -2.816 1.00 2.57 O ATOM 400 NE2 GLN A 28 12.146 6.837 -4.015 1.00 1.54 N ATOM 0 H GLN A 28 9.093 4.164 -4.002 1.00 0.65 H new ATOM 0 HA GLN A 28 7.306 6.141 -3.214 1.00 0.59 H new ATOM 0 HB2 GLN A 28 9.645 6.124 -5.154 1.00 0.74 H new ATOM 0 HB3 GLN A 28 8.812 7.592 -4.681 1.00 0.74 H new ATOM 0 HG2 GLN A 28 9.324 7.120 -2.279 1.00 0.79 H new ATOM 0 HG3 GLN A 28 10.135 5.635 -2.737 1.00 0.79 H new ATOM 0 HE21 GLN A 28 11.993 5.904 -4.399 1.00 1.54 H new ATOM 0 HE22 GLN A 28 13.027 7.321 -4.187 1.00 1.54 H new ATOM 409 N LYS A 29 7.047 5.319 -6.405 1.00 0.46 N ATOM 410 CA LYS A 29 6.140 5.263 -7.538 1.00 0.38 C ATOM 411 C LYS A 29 4.727 4.970 -7.035 1.00 0.40 C ATOM 412 O LYS A 29 3.838 5.809 -7.162 1.00 0.44 O ATOM 413 CB LYS A 29 6.612 4.186 -8.531 1.00 0.41 C ATOM 414 CG LYS A 29 5.791 4.163 -9.826 1.00 0.53 C ATOM 415 CD LYS A 29 6.285 5.240 -10.799 1.00 1.17 C ATOM 416 CE LYS A 29 5.133 5.685 -11.708 1.00 2.01 C ATOM 417 NZ LYS A 29 5.578 6.660 -12.720 1.00 2.90 N ATOM 0 H LYS A 29 7.913 4.800 -6.552 1.00 0.46 H new ATOM 0 HA LYS A 29 6.133 6.220 -8.059 1.00 0.38 H new ATOM 0 HB2 LYS A 29 7.660 4.359 -8.775 1.00 0.41 H new ATOM 0 HB3 LYS A 29 6.553 3.208 -8.053 1.00 0.41 H new ATOM 0 HG2 LYS A 29 5.867 3.181 -10.293 1.00 0.53 H new ATOM 0 HG3 LYS A 29 4.738 4.327 -9.598 1.00 0.53 H new ATOM 0 HD2 LYS A 29 6.674 6.094 -10.244 1.00 1.17 H new ATOM 0 HD3 LYS A 29 7.106 4.851 -11.401 1.00 1.17 H new ATOM 0 HE2 LYS A 29 4.706 4.814 -12.206 1.00 2.01 H new ATOM 0 HE3 LYS A 29 4.342 6.126 -11.102 1.00 2.01 H new ATOM 0 HZ1 LYS A 29 4.771 6.936 -13.315 1.00 2.90 H new ATOM 0 HZ2 LYS A 29 5.963 7.502 -12.246 1.00 2.90 H new ATOM 0 HZ3 LYS A 29 6.315 6.231 -13.315 1.00 2.90 H new ATOM 431 N PHE A 30 4.530 3.787 -6.450 1.00 0.48 N ATOM 432 CA PHE A 30 3.225 3.347 -6.007 1.00 0.58 C ATOM 433 C PHE A 30 2.632 4.306 -4.978 1.00 0.62 C ATOM 434 O PHE A 30 1.458 4.641 -5.061 1.00 0.74 O ATOM 435 CB PHE A 30 3.303 1.927 -5.451 1.00 0.66 C ATOM 436 CG PHE A 30 1.949 1.425 -5.010 1.00 0.79 C ATOM 437 CD1 PHE A 30 1.092 0.823 -5.948 1.00 1.54 C ATOM 438 CD2 PHE A 30 1.524 1.615 -3.681 1.00 2.17 C ATOM 439 CE1 PHE A 30 -0.188 0.409 -5.556 1.00 1.66 C ATOM 440 CE2 PHE A 30 0.237 1.210 -3.294 1.00 2.26 C ATOM 441 CZ PHE A 30 -0.629 0.643 -4.244 1.00 1.18 C ATOM 0 H PHE A 30 5.276 3.114 -6.274 1.00 0.48 H new ATOM 0 HA PHE A 30 2.559 3.344 -6.870 1.00 0.58 H new ATOM 0 HB2 PHE A 30 3.708 1.260 -6.212 1.00 0.66 H new ATOM 0 HB3 PHE A 30 3.992 1.904 -4.607 1.00 0.66 H new ATOM 0 HD1 PHE A 30 1.419 0.680 -6.967 1.00 1.54 H new ATOM 0 HD2 PHE A 30 2.187 2.071 -2.961 1.00 2.17 H new ATOM 0 HE1 PHE A 30 -0.835 -0.090 -6.263 1.00 1.66 H new ATOM 0 HE2 PHE A 30 -0.086 1.334 -2.271 1.00 2.26 H new ATOM 0 HZ PHE A 30 -1.640 0.386 -3.963 1.00 1.18 H new ATOM 451 N PHE A 31 3.415 4.758 -4.000 1.00 0.58 N ATOM 452 CA PHE A 31 2.928 5.652 -2.963 1.00 0.61 C ATOM 453 C PHE A 31 2.338 6.927 -3.569 1.00 0.62 C ATOM 454 O PHE A 31 1.315 7.408 -3.082 1.00 0.77 O ATOM 455 CB PHE A 31 4.030 5.961 -1.940 1.00 0.80 C ATOM 456 CG PHE A 31 4.479 4.797 -1.070 1.00 1.89 C ATOM 457 CD1 PHE A 31 3.529 4.062 -0.333 1.00 3.30 C ATOM 458 CD2 PHE A 31 5.850 4.599 -0.814 1.00 3.09 C ATOM 459 CE1 PHE A 31 3.945 3.185 0.681 1.00 4.73 C ATOM 460 CE2 PHE A 31 6.266 3.661 0.144 1.00 4.48 C ATOM 461 CZ PHE A 31 5.313 2.994 0.930 1.00 5.02 C ATOM 0 H PHE A 31 4.401 4.513 -3.908 1.00 0.58 H new ATOM 0 HA PHE A 31 2.124 5.146 -2.429 1.00 0.61 H new ATOM 0 HB2 PHE A 31 4.898 6.344 -2.476 1.00 0.80 H new ATOM 0 HB3 PHE A 31 3.679 6.761 -1.288 1.00 0.80 H new ATOM 0 HD1 PHE A 31 2.477 4.174 -0.549 1.00 3.30 H new ATOM 0 HD2 PHE A 31 6.586 5.172 -1.358 1.00 3.09 H new ATOM 0 HE1 PHE A 31 3.211 2.656 1.271 1.00 4.73 H new ATOM 0 HE2 PHE A 31 7.317 3.453 0.276 1.00 4.48 H new ATOM 0 HZ PHE A 31 5.632 2.335 1.724 1.00 5.02 H new ATOM 471 N GLN A 32 2.944 7.473 -4.628 1.00 0.54 N ATOM 472 CA GLN A 32 2.309 8.563 -5.360 1.00 0.69 C ATOM 473 C GLN A 32 1.109 8.049 -6.157 1.00 0.85 C ATOM 474 O GLN A 32 0.021 8.607 -6.044 1.00 1.07 O ATOM 475 CB GLN A 32 3.310 9.310 -6.256 1.00 0.76 C ATOM 476 CG GLN A 32 3.782 10.603 -5.577 1.00 1.39 C ATOM 477 CD GLN A 32 4.579 11.479 -6.535 1.00 1.47 C ATOM 478 OE1 GLN A 32 4.090 12.499 -7.009 1.00 2.70 O ATOM 479 NE2 GLN A 32 5.811 11.087 -6.839 1.00 1.71 N ATOM 0 H GLN A 32 3.853 7.183 -4.988 1.00 0.54 H new ATOM 0 HA GLN A 32 1.943 9.286 -4.631 1.00 0.69 H new ATOM 0 HB2 GLN A 32 4.167 8.670 -6.466 1.00 0.76 H new ATOM 0 HB3 GLN A 32 2.845 9.544 -7.213 1.00 0.76 H new ATOM 0 HG2 GLN A 32 2.919 11.157 -5.208 1.00 1.39 H new ATOM 0 HG3 GLN A 32 4.396 10.357 -4.711 1.00 1.39 H new ATOM 0 HE21 GLN A 32 6.191 10.234 -6.429 1.00 1.71 H new ATOM 0 HE22 GLN A 32 6.378 11.639 -7.483 1.00 1.71 H new ATOM 488 N THR A 33 1.291 6.996 -6.957 1.00 0.79 N ATOM 489 CA THR A 33 0.294 6.506 -7.891 1.00 0.95 C ATOM 490 C THR A 33 -1.006 6.118 -7.183 1.00 1.08 C ATOM 491 O THR A 33 -2.074 6.204 -7.776 1.00 1.30 O ATOM 492 CB THR A 33 0.894 5.347 -8.718 1.00 0.93 C ATOM 493 OG1 THR A 33 0.752 5.653 -10.083 1.00 1.01 O ATOM 494 CG2 THR A 33 0.275 3.979 -8.429 1.00 1.02 C ATOM 0 H THR A 33 2.155 6.454 -6.968 1.00 0.79 H new ATOM 0 HA THR A 33 0.022 7.307 -8.578 1.00 0.95 H new ATOM 0 HB THR A 33 1.942 5.261 -8.429 1.00 0.93 H new ATOM 0 HG1 THR A 33 1.486 5.245 -10.588 1.00 1.01 H new ATOM 0 HG21 THR A 33 0.754 3.224 -9.052 1.00 1.02 H new ATOM 0 HG22 THR A 33 0.421 3.728 -7.378 1.00 1.02 H new ATOM 0 HG23 THR A 33 -0.792 4.008 -8.650 1.00 1.02 H new ATOM 502 N SER A 34 -0.883 5.655 -5.937 1.00 1.00 N ATOM 503 CA SER A 34 -1.952 5.167 -5.090 1.00 1.23 C ATOM 504 C SER A 34 -2.527 6.308 -4.239 1.00 1.43 C ATOM 505 O SER A 34 -3.403 6.097 -3.404 1.00 1.86 O ATOM 506 CB SER A 34 -1.396 4.022 -4.233 1.00 1.24 C ATOM 507 OG SER A 34 -2.429 3.285 -3.610 1.00 1.88 O ATOM 0 H SER A 34 0.024 5.612 -5.473 1.00 1.00 H new ATOM 0 HA SER A 34 -2.778 4.787 -5.691 1.00 1.23 H new ATOM 0 HB2 SER A 34 -0.800 3.356 -4.858 1.00 1.24 H new ATOM 0 HB3 SER A 34 -0.729 4.428 -3.472 1.00 1.24 H new ATOM 0 HG SER A 34 -2.195 2.333 -3.606 1.00 1.88 H new ATOM 513 N GLY A 35 -2.024 7.534 -4.404 1.00 1.20 N ATOM 514 CA GLY A 35 -2.615 8.721 -3.810 1.00 1.34 C ATOM 515 C GLY A 35 -2.011 8.978 -2.440 1.00 1.00 C ATOM 516 O GLY A 35 -1.788 10.126 -2.070 1.00 0.88 O ATOM 0 H GLY A 35 -1.189 7.725 -4.958 1.00 1.20 H new ATOM 0 HA2 GLY A 35 -2.447 9.582 -4.457 1.00 1.34 H new ATOM 0 HA3 GLY A 35 -3.694 8.594 -3.722 1.00 1.34 H new ATOM 520 N LEU A 36 -1.726 7.905 -1.697 1.00 1.13 N ATOM 521 CA LEU A 36 -1.131 7.904 -0.370 1.00 0.94 C ATOM 522 C LEU A 36 -0.119 9.034 -0.114 1.00 0.76 C ATOM 523 O LEU A 36 -0.247 9.742 0.876 1.00 0.57 O ATOM 524 CB LEU A 36 -0.530 6.520 -0.076 1.00 0.97 C ATOM 525 CG LEU A 36 -1.554 5.559 0.555 1.00 1.63 C ATOM 526 CD1 LEU A 36 -2.355 4.775 -0.485 1.00 1.52 C ATOM 527 CD2 LEU A 36 -0.852 4.568 1.483 1.00 3.05 C ATOM 0 H LEU A 36 -1.918 6.961 -2.031 1.00 1.13 H new ATOM 0 HA LEU A 36 -1.939 8.113 0.331 1.00 0.94 H new ATOM 0 HB2 LEU A 36 -0.151 6.087 -1.002 1.00 0.97 H new ATOM 0 HB3 LEU A 36 0.322 6.632 0.595 1.00 0.97 H new ATOM 0 HG LEU A 36 -2.251 6.182 1.115 1.00 1.63 H new ATOM 0 HD11 LEU A 36 -3.060 4.115 0.021 1.00 1.52 H new ATOM 0 HD12 LEU A 36 -2.902 5.470 -1.123 1.00 1.52 H new ATOM 0 HD13 LEU A 36 -1.675 4.181 -1.095 1.00 1.52 H new ATOM 0 HD21 LEU A 36 -1.589 3.895 1.922 1.00 3.05 H new ATOM 0 HD22 LEU A 36 -0.125 3.989 0.914 1.00 3.05 H new ATOM 0 HD23 LEU A 36 -0.340 5.112 2.277 1.00 3.05 H new ATOM 539 N SER A 37 0.892 9.217 -0.966 1.00 0.94 N ATOM 540 CA SER A 37 1.923 10.227 -0.720 1.00 1.05 C ATOM 541 C SER A 37 1.364 11.647 -0.865 1.00 0.99 C ATOM 542 O SER A 37 1.861 12.588 -0.253 1.00 1.04 O ATOM 543 CB SER A 37 3.120 9.981 -1.646 1.00 1.46 C ATOM 544 OG SER A 37 4.242 10.747 -1.268 1.00 2.47 O ATOM 0 H SER A 37 1.018 8.683 -1.826 1.00 0.94 H new ATOM 0 HA SER A 37 2.266 10.137 0.311 1.00 1.05 H new ATOM 0 HB2 SER A 37 3.380 8.923 -1.630 1.00 1.46 H new ATOM 0 HB3 SER A 37 2.842 10.225 -2.671 1.00 1.46 H new ATOM 0 HG SER A 37 4.534 10.479 -0.372 1.00 2.47 H new ATOM 550 N LYS A 38 0.320 11.809 -1.683 1.00 0.98 N ATOM 551 CA LYS A 38 -0.364 13.075 -1.865 1.00 1.06 C ATOM 552 C LYS A 38 -1.323 13.296 -0.693 1.00 0.91 C ATOM 553 O LYS A 38 -1.486 14.417 -0.214 1.00 1.03 O ATOM 554 CB LYS A 38 -1.102 13.060 -3.218 1.00 1.22 C ATOM 555 CG LYS A 38 -0.896 14.347 -4.027 1.00 1.48 C ATOM 556 CD LYS A 38 -1.578 15.559 -3.373 1.00 2.09 C ATOM 557 CE LYS A 38 -1.216 16.881 -4.064 1.00 2.49 C ATOM 558 NZ LYS A 38 -1.593 16.901 -5.492 1.00 3.25 N ATOM 0 H LYS A 38 -0.072 11.050 -2.240 1.00 0.98 H new ATOM 0 HA LYS A 38 0.346 13.902 -1.880 1.00 1.06 H new ATOM 0 HB2 LYS A 38 -0.756 12.209 -3.805 1.00 1.22 H new ATOM 0 HB3 LYS A 38 -2.168 12.914 -3.043 1.00 1.22 H new ATOM 0 HG2 LYS A 38 0.171 14.544 -4.128 1.00 1.48 H new ATOM 0 HG3 LYS A 38 -1.291 14.209 -5.033 1.00 1.48 H new ATOM 0 HD2 LYS A 38 -2.659 15.422 -3.401 1.00 2.09 H new ATOM 0 HD3 LYS A 38 -1.290 15.611 -2.323 1.00 2.09 H new ATOM 0 HE2 LYS A 38 -1.714 17.703 -3.550 1.00 2.49 H new ATOM 0 HE3 LYS A 38 -0.143 17.051 -3.973 1.00 2.49 H new ATOM 0 HZ1 LYS A 38 -1.388 17.839 -5.892 1.00 3.25 H new ATOM 0 HZ2 LYS A 38 -1.048 16.179 -6.005 1.00 3.25 H new ATOM 0 HZ3 LYS A 38 -2.609 16.699 -5.586 1.00 3.25 H new ATOM 572 N MET A 39 -1.984 12.222 -0.253 1.00 0.68 N ATOM 573 CA MET A 39 -2.874 12.243 0.888 1.00 0.63 C ATOM 574 C MET A 39 -2.135 12.725 2.140 1.00 0.78 C ATOM 575 O MET A 39 -0.972 12.395 2.363 1.00 1.77 O ATOM 576 CB MET A 39 -3.459 10.843 1.129 1.00 0.47 C ATOM 577 CG MET A 39 -4.805 10.609 0.442 1.00 0.57 C ATOM 578 SD MET A 39 -5.556 9.020 0.891 1.00 1.98 S ATOM 579 CE MET A 39 -7.303 9.381 0.616 1.00 2.71 C ATOM 0 H MET A 39 -1.908 11.305 -0.693 1.00 0.68 H new ATOM 0 HA MET A 39 -3.688 12.937 0.677 1.00 0.63 H new ATOM 0 HB2 MET A 39 -2.747 10.097 0.776 1.00 0.47 H new ATOM 0 HB3 MET A 39 -3.578 10.689 2.202 1.00 0.47 H new ATOM 0 HG2 MET A 39 -5.488 11.416 0.707 1.00 0.57 H new ATOM 0 HG3 MET A 39 -4.668 10.649 -0.639 1.00 0.57 H new ATOM 0 HE1 MET A 39 -7.912 8.594 1.061 1.00 2.71 H new ATOM 0 HE2 MET A 39 -7.554 10.337 1.075 1.00 2.71 H new ATOM 0 HE3 MET A 39 -7.500 9.430 -0.455 1.00 2.71 H new ATOM 589 N SER A 40 -2.826 13.487 2.989 1.00 0.56 N ATOM 590 CA SER A 40 -2.297 13.882 4.276 1.00 0.54 C ATOM 591 C SER A 40 -2.042 12.643 5.136 1.00 0.48 C ATOM 592 O SER A 40 -2.789 11.666 5.056 1.00 0.46 O ATOM 593 CB SER A 40 -3.310 14.807 4.956 1.00 0.75 C ATOM 594 OG SER A 40 -3.808 15.736 4.011 1.00 1.96 O ATOM 0 H SER A 40 -3.763 13.841 2.796 1.00 0.56 H new ATOM 0 HA SER A 40 -1.351 14.408 4.148 1.00 0.54 H new ATOM 0 HB2 SER A 40 -4.129 14.222 5.374 1.00 0.75 H new ATOM 0 HB3 SER A 40 -2.838 15.333 5.786 1.00 0.75 H new ATOM 0 HG SER A 40 -4.458 16.327 4.445 1.00 1.96 H new ATOM 600 N ALA A 41 -1.036 12.728 6.012 1.00 0.53 N ATOM 601 CA ALA A 41 -0.741 11.743 7.048 1.00 0.53 C ATOM 602 C ALA A 41 -2.016 11.168 7.669 1.00 0.55 C ATOM 603 O ALA A 41 -2.124 9.962 7.869 1.00 0.61 O ATOM 604 CB ALA A 41 0.109 12.413 8.129 1.00 0.57 C ATOM 0 H ALA A 41 -0.384 13.513 6.016 1.00 0.53 H new ATOM 0 HA ALA A 41 -0.201 10.912 6.594 1.00 0.53 H new ATOM 0 HB1 ALA A 41 0.339 11.690 8.912 1.00 0.57 H new ATOM 0 HB2 ALA A 41 1.037 12.778 7.688 1.00 0.57 H new ATOM 0 HB3 ALA A 41 -0.442 13.250 8.558 1.00 0.57 H new ATOM 610 N ASN A 42 -2.985 12.041 7.955 1.00 0.56 N ATOM 611 CA ASN A 42 -4.283 11.674 8.511 1.00 0.62 C ATOM 612 C ASN A 42 -4.937 10.598 7.648 1.00 0.57 C ATOM 613 O ASN A 42 -5.173 9.482 8.101 1.00 0.67 O ATOM 614 CB ASN A 42 -5.189 12.915 8.600 1.00 0.69 C ATOM 615 CG ASN A 42 -4.475 14.099 9.240 1.00 0.95 C ATOM 616 OD1 ASN A 42 -3.597 14.688 8.615 1.00 2.42 O ATOM 617 ND2 ASN A 42 -4.818 14.446 10.477 1.00 1.98 N ATOM 0 H ASN A 42 -2.883 13.044 7.802 1.00 0.56 H new ATOM 0 HA ASN A 42 -4.139 11.275 9.515 1.00 0.62 H new ATOM 0 HB2 ASN A 42 -5.524 13.191 7.600 1.00 0.69 H new ATOM 0 HB3 ASN A 42 -6.080 12.673 9.179 1.00 0.69 H new ATOM 0 HD21 ASN A 42 -4.347 15.225 10.937 1.00 1.98 H new ATOM 0 HD22 ASN A 42 -5.552 13.933 10.965 1.00 1.98 H new ATOM 624 N GLN A 43 -5.189 10.930 6.380 1.00 0.47 N ATOM 625 CA GLN A 43 -5.838 10.035 5.441 1.00 0.45 C ATOM 626 C GLN A 43 -4.997 8.769 5.262 1.00 0.45 C ATOM 627 O GLN A 43 -5.558 7.680 5.197 1.00 0.53 O ATOM 628 CB GLN A 43 -6.090 10.749 4.108 1.00 0.43 C ATOM 629 CG GLN A 43 -7.005 11.977 4.231 1.00 0.96 C ATOM 630 CD GLN A 43 -8.392 11.632 4.763 1.00 1.59 C ATOM 631 OE1 GLN A 43 -8.746 12.011 5.873 1.00 3.14 O ATOM 632 NE2 GLN A 43 -9.195 10.917 3.978 1.00 1.34 N ATOM 0 H GLN A 43 -4.944 11.836 5.981 1.00 0.47 H new ATOM 0 HA GLN A 43 -6.809 9.737 5.837 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -5.134 11.059 3.685 1.00 0.43 H new ATOM 0 HB3 GLN A 43 -6.535 10.044 3.406 1.00 0.43 H new ATOM 0 HG2 GLN A 43 -6.539 12.707 4.893 1.00 0.96 H new ATOM 0 HG3 GLN A 43 -7.103 12.450 3.254 1.00 0.96 H new ATOM 0 HE21 GLN A 43 -8.873 10.615 3.058 1.00 1.34 H new ATOM 0 HE22 GLN A 43 -10.132 10.671 4.296 1.00 1.34 H new ATOM 641 N VAL A 44 -3.662 8.881 5.217 1.00 0.42 N ATOM 642 CA VAL A 44 -2.800 7.714 5.099 1.00 0.44 C ATOM 643 C VAL A 44 -3.007 6.790 6.304 1.00 0.47 C ATOM 644 O VAL A 44 -3.109 5.574 6.156 1.00 0.51 O ATOM 645 CB VAL A 44 -1.344 8.189 4.975 1.00 0.47 C ATOM 646 CG1 VAL A 44 -0.340 7.034 5.066 1.00 0.52 C ATOM 647 CG2 VAL A 44 -1.155 8.928 3.646 1.00 0.53 C ATOM 0 H VAL A 44 -3.164 9.770 5.261 1.00 0.42 H new ATOM 0 HA VAL A 44 -3.050 7.138 4.208 1.00 0.44 H new ATOM 0 HB VAL A 44 -1.149 8.858 5.813 1.00 0.47 H new ATOM 0 HG11 VAL A 44 0.673 7.425 4.973 1.00 0.52 H new ATOM 0 HG12 VAL A 44 -0.448 6.533 6.028 1.00 0.52 H new ATOM 0 HG13 VAL A 44 -0.530 6.322 4.262 1.00 0.52 H new ATOM 0 HG21 VAL A 44 -0.122 9.264 3.560 1.00 0.53 H new ATOM 0 HG22 VAL A 44 -1.388 8.256 2.820 1.00 0.53 H new ATOM 0 HG23 VAL A 44 -1.821 9.790 3.611 1.00 0.53 H new ATOM 657 N LYS A 45 -3.061 7.354 7.509 1.00 0.49 N ATOM 658 CA LYS A 45 -3.212 6.580 8.727 1.00 0.58 C ATOM 659 C LYS A 45 -4.608 5.950 8.799 1.00 0.55 C ATOM 660 O LYS A 45 -4.741 4.791 9.194 1.00 0.61 O ATOM 661 CB LYS A 45 -2.865 7.473 9.922 1.00 0.72 C ATOM 662 CG LYS A 45 -2.595 6.672 11.202 1.00 0.91 C ATOM 663 CD LYS A 45 -1.718 7.526 12.126 1.00 1.78 C ATOM 664 CE LYS A 45 -1.364 6.803 13.431 1.00 2.08 C ATOM 665 NZ LYS A 45 -0.327 7.536 14.191 1.00 2.97 N ATOM 0 H LYS A 45 -3.001 8.361 7.662 1.00 0.49 H new ATOM 0 HA LYS A 45 -2.520 5.738 8.742 1.00 0.58 H new ATOM 0 HB2 LYS A 45 -1.986 8.071 9.680 1.00 0.72 H new ATOM 0 HB3 LYS A 45 -3.685 8.169 10.100 1.00 0.72 H new ATOM 0 HG2 LYS A 45 -3.533 6.418 11.696 1.00 0.91 H new ATOM 0 HG3 LYS A 45 -2.095 5.733 10.964 1.00 0.91 H new ATOM 0 HD2 LYS A 45 -0.800 7.796 11.603 1.00 1.78 H new ATOM 0 HD3 LYS A 45 -2.238 8.455 12.359 1.00 1.78 H new ATOM 0 HE2 LYS A 45 -2.259 6.696 14.044 1.00 2.08 H new ATOM 0 HE3 LYS A 45 -1.010 5.797 13.207 1.00 2.08 H new ATOM 0 HZ1 LYS A 45 -0.110 7.021 15.068 1.00 2.97 H new ATOM 0 HZ2 LYS A 45 0.535 7.616 13.614 1.00 2.97 H new ATOM 0 HZ3 LYS A 45 -0.676 8.487 14.426 1.00 2.97 H new ATOM 679 N ASP A 46 -5.641 6.687 8.384 1.00 0.52 N ATOM 680 CA ASP A 46 -6.992 6.155 8.267 1.00 0.54 C ATOM 681 C ASP A 46 -7.015 4.985 7.285 1.00 0.49 C ATOM 682 O ASP A 46 -7.409 3.879 7.658 1.00 0.55 O ATOM 683 CB ASP A 46 -7.979 7.252 7.842 1.00 0.55 C ATOM 684 CG ASP A 46 -8.530 8.028 9.032 1.00 1.63 C ATOM 685 OD1 ASP A 46 -7.717 8.412 9.900 1.00 3.22 O ATOM 686 OD2 ASP A 46 -9.766 8.203 9.058 1.00 2.13 O ATOM 0 H ASP A 46 -5.560 7.669 8.121 1.00 0.52 H new ATOM 0 HA ASP A 46 -7.306 5.790 9.245 1.00 0.54 H new ATOM 0 HB2 ASP A 46 -7.481 7.942 7.161 1.00 0.55 H new ATOM 0 HB3 ASP A 46 -8.805 6.801 7.291 1.00 0.55 H new ATOM 691 N VAL A 47 -6.598 5.204 6.030 1.00 0.41 N ATOM 692 CA VAL A 47 -6.608 4.138 5.031 1.00 0.43 C ATOM 693 C VAL A 47 -5.805 2.943 5.548 1.00 0.49 C ATOM 694 O VAL A 47 -6.290 1.816 5.483 1.00 0.52 O ATOM 695 CB VAL A 47 -6.187 4.601 3.617 1.00 0.43 C ATOM 696 CG1 VAL A 47 -7.004 5.802 3.118 1.00 0.46 C ATOM 697 CG2 VAL A 47 -4.697 4.856 3.436 1.00 0.52 C ATOM 0 H VAL A 47 -6.254 6.102 5.689 1.00 0.41 H new ATOM 0 HA VAL A 47 -7.641 3.819 4.893 1.00 0.43 H new ATOM 0 HB VAL A 47 -6.419 3.738 2.992 1.00 0.43 H new ATOM 0 HG11 VAL A 47 -6.665 6.083 2.121 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -8.060 5.533 3.080 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -6.868 6.643 3.798 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -4.504 5.176 2.412 1.00 0.52 H new ATOM 0 HG22 VAL A 47 -4.375 5.635 4.126 1.00 0.52 H new ATOM 0 HG23 VAL A 47 -4.144 3.939 3.640 1.00 0.52 H new ATOM 707 N PHE A 48 -4.620 3.194 6.124 1.00 0.54 N ATOM 708 CA PHE A 48 -3.842 2.173 6.810 1.00 0.60 C ATOM 709 C PHE A 48 -4.756 1.376 7.740 1.00 0.58 C ATOM 710 O PHE A 48 -4.988 0.200 7.485 1.00 0.77 O ATOM 711 CB PHE A 48 -2.635 2.782 7.538 1.00 0.71 C ATOM 712 CG PHE A 48 -1.645 1.763 8.061 1.00 1.64 C ATOM 713 CD1 PHE A 48 -1.809 1.196 9.338 1.00 2.68 C ATOM 714 CD2 PHE A 48 -0.558 1.372 7.260 1.00 2.90 C ATOM 715 CE1 PHE A 48 -0.858 0.285 9.824 1.00 3.81 C ATOM 716 CE2 PHE A 48 0.422 0.505 7.771 1.00 3.95 C ATOM 717 CZ PHE A 48 0.283 -0.025 9.063 1.00 4.15 C ATOM 0 H PHE A 48 -4.181 4.115 6.123 1.00 0.54 H new ATOM 0 HA PHE A 48 -3.426 1.482 6.077 1.00 0.60 H new ATOM 0 HB2 PHE A 48 -2.118 3.458 6.857 1.00 0.71 H new ATOM 0 HB3 PHE A 48 -2.994 3.384 8.373 1.00 0.71 H new ATOM 0 HD1 PHE A 48 -2.664 1.461 9.943 1.00 2.68 H new ATOM 0 HD2 PHE A 48 -0.476 1.740 6.248 1.00 2.90 H new ATOM 0 HE1 PHE A 48 -1.004 -0.180 10.788 1.00 3.81 H new ATOM 0 HE2 PHE A 48 1.281 0.247 7.170 1.00 3.95 H new ATOM 0 HZ PHE A 48 1.049 -0.668 9.471 1.00 4.15 H new ATOM 727 N ARG A 49 -5.328 2.018 8.764 1.00 0.61 N ATOM 728 CA ARG A 49 -6.197 1.359 9.734 1.00 0.65 C ATOM 729 C ARG A 49 -7.376 0.609 9.106 1.00 0.51 C ATOM 730 O ARG A 49 -7.757 -0.444 9.610 1.00 0.59 O ATOM 731 CB ARG A 49 -6.700 2.364 10.777 1.00 0.97 C ATOM 732 CG ARG A 49 -5.636 2.600 11.855 1.00 1.39 C ATOM 733 CD ARG A 49 -6.198 3.491 12.969 1.00 1.74 C ATOM 734 NE ARG A 49 -5.439 3.309 14.216 1.00 2.97 N ATOM 735 CZ ARG A 49 -5.807 3.801 15.409 1.00 3.28 C ATOM 736 NH1 ARG A 49 -6.835 4.655 15.485 1.00 2.79 N ATOM 737 NH2 ARG A 49 -5.151 3.433 16.516 1.00 4.56 N ATOM 0 H ARG A 49 -5.198 3.014 8.941 1.00 0.61 H new ATOM 0 HA ARG A 49 -5.581 0.601 10.218 1.00 0.65 H new ATOM 0 HB2 ARG A 49 -6.948 3.307 10.291 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -7.615 1.992 11.237 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -5.312 1.646 12.271 1.00 1.39 H new ATOM 0 HG3 ARG A 49 -4.758 3.070 11.412 1.00 1.39 H new ATOM 0 HD2 ARG A 49 -6.156 4.536 12.661 1.00 1.74 H new ATOM 0 HD3 ARG A 49 -7.248 3.251 13.138 1.00 1.74 H new ATOM 0 HE ARG A 49 -4.573 2.772 14.171 1.00 2.97 H new ATOM 0 HH11 ARG A 49 -7.334 4.929 14.639 1.00 2.79 H new ATOM 0 HH12 ARG A 49 -7.119 5.032 16.389 1.00 2.79 H new ATOM 0 HH21 ARG A 49 -4.371 2.779 16.453 1.00 4.56 H new ATOM 0 HH22 ARG A 49 -5.431 3.807 17.423 1.00 4.56 H new ATOM 751 N PHE A 50 -7.983 1.126 8.036 1.00 0.50 N ATOM 752 CA PHE A 50 -9.050 0.384 7.372 1.00 0.74 C ATOM 753 C PHE A 50 -8.495 -0.915 6.782 1.00 0.79 C ATOM 754 O PHE A 50 -9.024 -2.001 7.019 1.00 1.09 O ATOM 755 CB PHE A 50 -9.735 1.237 6.293 1.00 0.88 C ATOM 756 CG PHE A 50 -10.815 2.162 6.824 1.00 2.11 C ATOM 757 CD1 PHE A 50 -12.046 1.622 7.244 1.00 2.75 C ATOM 758 CD2 PHE A 50 -10.606 3.552 6.895 1.00 3.65 C ATOM 759 CE1 PHE A 50 -13.056 2.465 7.741 1.00 3.88 C ATOM 760 CE2 PHE A 50 -11.607 4.393 7.411 1.00 4.97 C ATOM 761 CZ PHE A 50 -12.836 3.849 7.829 1.00 4.83 C ATOM 0 H PHE A 50 -7.761 2.031 7.621 1.00 0.50 H new ATOM 0 HA PHE A 50 -9.809 0.132 8.113 1.00 0.74 H new ATOM 0 HB2 PHE A 50 -8.979 1.834 5.784 1.00 0.88 H new ATOM 0 HB3 PHE A 50 -10.174 0.575 5.547 1.00 0.88 H new ATOM 0 HD1 PHE A 50 -12.215 0.557 7.184 1.00 2.75 H new ATOM 0 HD2 PHE A 50 -9.673 3.974 6.552 1.00 3.65 H new ATOM 0 HE1 PHE A 50 -14.001 2.048 8.055 1.00 3.88 H new ATOM 0 HE2 PHE A 50 -11.433 5.456 7.487 1.00 4.97 H new ATOM 0 HZ PHE A 50 -13.609 4.496 8.217 1.00 4.83 H new ATOM 771 N ILE A 51 -7.433 -0.810 5.983 1.00 0.85 N ATOM 772 CA ILE A 51 -6.925 -1.941 5.217 1.00 1.28 C ATOM 773 C ILE A 51 -6.140 -2.928 6.106 1.00 1.01 C ATOM 774 O ILE A 51 -6.007 -4.107 5.759 1.00 1.42 O ATOM 775 CB ILE A 51 -6.129 -1.415 4.011 1.00 1.93 C ATOM 776 CG1 ILE A 51 -6.909 -0.379 3.172 1.00 2.38 C ATOM 777 CG2 ILE A 51 -5.702 -2.575 3.105 1.00 2.52 C ATOM 778 CD1 ILE A 51 -8.193 -0.898 2.521 1.00 2.78 C ATOM 0 H ILE A 51 -6.907 0.054 5.851 1.00 0.85 H new ATOM 0 HA ILE A 51 -7.757 -2.528 4.827 1.00 1.28 H new ATOM 0 HB ILE A 51 -5.254 -0.912 4.423 1.00 1.93 H new ATOM 0 HG12 ILE A 51 -7.162 0.466 3.812 1.00 2.38 H new ATOM 0 HG13 ILE A 51 -6.252 -0.001 2.389 1.00 2.38 H new ATOM 0 HG21 ILE A 51 -5.140 -2.186 2.256 1.00 2.52 H new ATOM 0 HG22 ILE A 51 -5.076 -3.266 3.669 1.00 2.52 H new ATOM 0 HG23 ILE A 51 -6.587 -3.100 2.744 1.00 2.52 H new ATOM 0 HD11 ILE A 51 -8.665 -0.094 1.956 1.00 2.78 H new ATOM 0 HD12 ILE A 51 -7.953 -1.722 1.849 1.00 2.78 H new ATOM 0 HD13 ILE A 51 -8.877 -1.248 3.294 1.00 2.78 H new ATOM 790 N ASP A 52 -5.674 -2.443 7.265 1.00 1.07 N ATOM 791 CA ASP A 52 -5.009 -3.156 8.354 1.00 0.98 C ATOM 792 C ASP A 52 -5.747 -4.426 8.775 1.00 1.10 C ATOM 793 O ASP A 52 -5.115 -5.381 9.236 1.00 2.55 O ATOM 794 CB ASP A 52 -4.875 -2.173 9.525 1.00 1.39 C ATOM 795 CG ASP A 52 -4.064 -2.628 10.715 1.00 1.52 C ATOM 796 OD1 ASP A 52 -3.200 -3.514 10.557 1.00 1.58 O ATOM 797 OD2 ASP A 52 -4.290 -2.050 11.792 1.00 2.60 O ATOM 0 H ASP A 52 -5.763 -1.450 7.479 1.00 1.07 H new ATOM 0 HA ASP A 52 -4.031 -3.498 8.016 1.00 0.98 H new ATOM 0 HB2 ASP A 52 -4.431 -1.253 9.145 1.00 1.39 H new ATOM 0 HB3 ASP A 52 -5.877 -1.924 9.874 1.00 1.39 H new ATOM 802 N ASN A 53 -7.074 -4.433 8.594 1.00 0.81 N ATOM 803 CA ASN A 53 -7.939 -5.611 8.576 1.00 0.79 C ATOM 804 C ASN A 53 -8.263 -6.124 9.977 1.00 0.90 C ATOM 805 O ASN A 53 -9.430 -6.227 10.341 1.00 1.79 O ATOM 806 CB ASN A 53 -7.358 -6.712 7.676 1.00 1.18 C ATOM 807 CG ASN A 53 -8.366 -7.819 7.393 1.00 1.76 C ATOM 808 OD1 ASN A 53 -8.127 -8.981 7.701 1.00 3.55 O ATOM 809 ND2 ASN A 53 -9.480 -7.487 6.746 1.00 2.02 N ATOM 0 H ASN A 53 -7.597 -3.569 8.449 1.00 0.81 H new ATOM 0 HA ASN A 53 -8.891 -5.301 8.144 1.00 0.79 H new ATOM 0 HB2 ASN A 53 -7.030 -6.273 6.734 1.00 1.18 H new ATOM 0 HB3 ASN A 53 -6.476 -7.140 8.152 1.00 1.18 H new ATOM 0 HD21 ASN A 53 -10.158 -8.207 6.495 1.00 2.02 H new ATOM 0 HD22 ASN A 53 -9.656 -6.513 6.501 1.00 2.02 H new ATOM 816 N ASP A 54 -7.228 -6.423 10.761 1.00 0.69 N ATOM 817 CA ASP A 54 -7.338 -6.683 12.192 1.00 0.96 C ATOM 818 C ASP A 54 -7.687 -5.387 12.938 1.00 1.38 C ATOM 819 O ASP A 54 -8.467 -5.420 13.883 1.00 1.92 O ATOM 820 CB ASP A 54 -6.041 -7.328 12.720 1.00 1.30 C ATOM 821 CG ASP A 54 -4.780 -6.554 12.379 1.00 1.83 C ATOM 822 OD1 ASP A 54 -4.850 -5.397 11.925 1.00 3.02 O ATOM 823 OD2 ASP A 54 -3.652 -7.081 12.392 1.00 2.33 O ATOM 0 H ASP A 54 -6.273 -6.492 10.411 1.00 0.69 H new ATOM 0 HA ASP A 54 -8.147 -7.391 12.371 1.00 0.96 H new ATOM 0 HB2 ASP A 54 -6.112 -7.427 13.803 1.00 1.30 H new ATOM 0 HB3 ASP A 54 -5.957 -8.336 12.313 1.00 1.30 H new ATOM 828 N GLN A 55 -7.087 -4.274 12.503 1.00 1.28 N ATOM 829 CA GLN A 55 -7.078 -2.933 13.082 1.00 1.74 C ATOM 830 C GLN A 55 -5.993 -2.808 14.172 1.00 2.04 C ATOM 831 O GLN A 55 -6.089 -1.965 15.063 1.00 2.54 O ATOM 832 CB GLN A 55 -8.498 -2.436 13.436 1.00 1.90 C ATOM 833 CG GLN A 55 -8.940 -2.599 14.900 1.00 2.32 C ATOM 834 CD GLN A 55 -10.458 -2.522 15.056 1.00 2.61 C ATOM 835 OE1 GLN A 55 -11.209 -3.191 14.357 1.00 3.63 O ATOM 836 NE2 GLN A 55 -10.938 -1.696 15.982 1.00 2.97 N ATOM 0 H GLN A 55 -6.538 -4.297 11.644 1.00 1.28 H new ATOM 0 HA GLN A 55 -6.767 -2.211 12.327 1.00 1.74 H new ATOM 0 HB2 GLN A 55 -8.564 -1.380 13.176 1.00 1.90 H new ATOM 0 HB3 GLN A 55 -9.211 -2.965 12.804 1.00 1.90 H new ATOM 0 HG2 GLN A 55 -8.585 -3.557 15.280 1.00 2.32 H new ATOM 0 HG3 GLN A 55 -8.474 -1.823 15.507 1.00 2.32 H new ATOM 0 HE21 GLN A 55 -10.299 -1.146 16.556 1.00 2.97 H new ATOM 0 HE22 GLN A 55 -11.945 -1.613 16.118 1.00 2.97 H new ATOM 845 N SER A 56 -4.950 -3.647 14.111 1.00 1.85 N ATOM 846 CA SER A 56 -3.916 -3.727 15.141 1.00 2.10 C ATOM 847 C SER A 56 -2.899 -2.584 15.079 1.00 2.09 C ATOM 848 O SER A 56 -2.286 -2.258 16.094 1.00 2.38 O ATOM 849 CB SER A 56 -3.193 -5.074 15.039 1.00 2.02 C ATOM 850 OG SER A 56 -2.541 -5.207 13.788 1.00 1.62 O ATOM 0 H SER A 56 -4.803 -4.294 13.336 1.00 1.85 H new ATOM 0 HA SER A 56 -4.423 -3.635 16.101 1.00 2.10 H new ATOM 0 HB2 SER A 56 -2.464 -5.161 15.844 1.00 2.02 H new ATOM 0 HB3 SER A 56 -3.909 -5.886 15.168 1.00 2.02 H new ATOM 0 HG SER A 56 -2.736 -6.090 13.409 1.00 1.62 H new ATOM 856 N GLY A 57 -2.683 -2.007 13.897 1.00 1.89 N ATOM 857 CA GLY A 57 -1.659 -1.010 13.623 1.00 1.99 C ATOM 858 C GLY A 57 -0.406 -1.620 12.982 1.00 1.66 C ATOM 859 O GLY A 57 0.667 -1.020 13.070 1.00 1.66 O ATOM 0 H GLY A 57 -3.241 -2.233 13.074 1.00 1.89 H new ATOM 0 HA2 GLY A 57 -2.067 -0.246 12.961 1.00 1.99 H new ATOM 0 HA3 GLY A 57 -1.383 -0.512 14.552 1.00 1.99 H new ATOM 863 N TYR A 58 -0.533 -2.771 12.306 1.00 1.67 N ATOM 864 CA TYR A 58 0.588 -3.483 11.693 1.00 1.33 C ATOM 865 C TYR A 58 0.177 -4.119 10.370 1.00 1.14 C ATOM 866 O TYR A 58 -0.818 -4.848 10.330 1.00 1.19 O ATOM 867 CB TYR A 58 1.118 -4.566 12.637 1.00 1.50 C ATOM 868 CG TYR A 58 1.990 -4.032 13.750 1.00 1.63 C ATOM 869 CD1 TYR A 58 3.288 -3.576 13.453 1.00 2.06 C ATOM 870 CD2 TYR A 58 1.519 -3.998 15.074 1.00 2.87 C ATOM 871 CE1 TYR A 58 4.113 -3.083 14.476 1.00 2.14 C ATOM 872 CE2 TYR A 58 2.357 -3.532 16.102 1.00 3.04 C ATOM 873 CZ TYR A 58 3.650 -3.070 15.803 1.00 1.99 C ATOM 874 OH TYR A 58 4.458 -2.629 16.807 1.00 2.24 O ATOM 0 H TYR A 58 -1.431 -3.236 12.170 1.00 1.67 H new ATOM 0 HA TYR A 58 1.376 -2.755 11.501 1.00 1.33 H new ATOM 0 HB2 TYR A 58 0.274 -5.099 13.074 1.00 1.50 H new ATOM 0 HB3 TYR A 58 1.688 -5.292 12.058 1.00 1.50 H new ATOM 0 HD1 TYR A 58 3.650 -3.605 12.436 1.00 2.06 H new ATOM 0 HD2 TYR A 58 0.516 -4.329 15.301 1.00 2.87 H new ATOM 0 HE1 TYR A 58 5.101 -2.714 14.244 1.00 2.14 H new ATOM 0 HE2 TYR A 58 2.006 -3.529 17.124 1.00 3.04 H new ATOM 0 HH TYR A 58 3.980 -2.686 17.661 1.00 2.24 H new ATOM 884 N LEU A 59 0.963 -3.835 9.324 1.00 0.95 N ATOM 885 CA LEU A 59 0.803 -4.298 7.952 1.00 0.93 C ATOM 886 C LEU A 59 1.907 -5.306 7.647 1.00 0.99 C ATOM 887 O LEU A 59 2.836 -5.048 6.882 1.00 1.16 O ATOM 888 CB LEU A 59 0.831 -3.088 6.999 1.00 0.95 C ATOM 889 CG LEU A 59 -0.566 -2.541 6.666 1.00 1.13 C ATOM 890 CD1 LEU A 59 -1.201 -3.383 5.563 1.00 2.03 C ATOM 891 CD2 LEU A 59 -1.528 -2.507 7.854 1.00 1.80 C ATOM 0 H LEU A 59 1.781 -3.235 9.428 1.00 0.95 H new ATOM 0 HA LEU A 59 -0.156 -4.797 7.813 1.00 0.93 H new ATOM 0 HB2 LEU A 59 1.426 -2.294 7.450 1.00 0.95 H new ATOM 0 HB3 LEU A 59 1.331 -3.375 6.074 1.00 0.95 H new ATOM 0 HG LEU A 59 -0.407 -1.510 6.351 1.00 1.13 H new ATOM 0 HD11 LEU A 59 -2.191 -2.991 5.331 1.00 2.03 H new ATOM 0 HD12 LEU A 59 -0.577 -3.344 4.670 1.00 2.03 H new ATOM 0 HD13 LEU A 59 -1.289 -4.416 5.899 1.00 2.03 H new ATOM 0 HD21 LEU A 59 -2.490 -2.108 7.532 1.00 1.80 H new ATOM 0 HD22 LEU A 59 -1.665 -3.517 8.240 1.00 1.80 H new ATOM 0 HD23 LEU A 59 -1.116 -1.872 8.638 1.00 1.80 H new ATOM 903 N ASP A 60 1.796 -6.472 8.272 1.00 0.98 N ATOM 904 CA ASP A 60 2.635 -7.635 8.045 1.00 1.09 C ATOM 905 C ASP A 60 2.650 -8.024 6.558 1.00 1.14 C ATOM 906 O ASP A 60 1.716 -7.693 5.823 1.00 1.16 O ATOM 907 CB ASP A 60 2.080 -8.792 8.891 1.00 1.21 C ATOM 908 CG ASP A 60 1.844 -8.406 10.347 1.00 1.22 C ATOM 909 OD1 ASP A 60 1.016 -7.498 10.577 1.00 1.54 O ATOM 910 OD2 ASP A 60 2.516 -9.023 11.202 1.00 1.61 O ATOM 0 H ASP A 60 1.084 -6.637 8.984 1.00 0.98 H new ATOM 0 HA ASP A 60 3.662 -7.409 8.333 1.00 1.09 H new ATOM 0 HB2 ASP A 60 1.142 -9.136 8.455 1.00 1.21 H new ATOM 0 HB3 ASP A 60 2.776 -9.630 8.851 1.00 1.21 H new ATOM 915 N GLU A 61 3.681 -8.773 6.134 1.00 1.17 N ATOM 916 CA GLU A 61 3.847 -9.312 4.796 1.00 1.09 C ATOM 917 C GLU A 61 2.520 -9.745 4.184 1.00 1.10 C ATOM 918 O GLU A 61 2.152 -9.285 3.109 1.00 1.14 O ATOM 919 CB GLU A 61 4.819 -10.494 4.884 1.00 1.00 C ATOM 920 CG GLU A 61 5.368 -10.862 3.506 1.00 2.08 C ATOM 921 CD GLU A 61 4.708 -12.080 2.854 1.00 3.31 C ATOM 922 OE1 GLU A 61 3.492 -12.287 3.043 1.00 4.32 O ATOM 923 OE2 GLU A 61 5.390 -12.825 2.124 1.00 3.98 O ATOM 0 H GLU A 61 4.452 -9.025 6.753 1.00 1.17 H new ATOM 0 HA GLU A 61 4.245 -8.537 4.141 1.00 1.09 H new ATOM 0 HB2 GLU A 61 5.643 -10.242 5.551 1.00 1.00 H new ATOM 0 HB3 GLU A 61 4.310 -11.355 5.318 1.00 1.00 H new ATOM 0 HG2 GLU A 61 5.250 -10.005 2.843 1.00 2.08 H new ATOM 0 HG3 GLU A 61 6.438 -11.051 3.596 1.00 2.08 H new ATOM 930 N GLU A 62 1.800 -10.605 4.902 1.00 1.13 N ATOM 931 CA GLU A 62 0.588 -11.221 4.403 1.00 1.18 C ATOM 932 C GLU A 62 -0.481 -10.160 4.149 1.00 1.25 C ATOM 933 O GLU A 62 -1.125 -10.143 3.102 1.00 1.49 O ATOM 934 CB GLU A 62 0.126 -12.285 5.411 1.00 1.29 C ATOM 935 CG GLU A 62 -0.584 -13.443 4.713 1.00 1.64 C ATOM 936 CD GLU A 62 -1.149 -14.421 5.730 1.00 2.00 C ATOM 937 OE1 GLU A 62 -2.206 -14.083 6.302 1.00 3.21 O ATOM 938 OE2 GLU A 62 -0.504 -15.472 5.922 1.00 2.33 O ATOM 0 H GLU A 62 2.048 -10.890 5.849 1.00 1.13 H new ATOM 0 HA GLU A 62 0.775 -11.711 3.447 1.00 1.18 H new ATOM 0 HB2 GLU A 62 0.986 -12.663 5.963 1.00 1.29 H new ATOM 0 HB3 GLU A 62 -0.545 -11.831 6.140 1.00 1.29 H new ATOM 0 HG2 GLU A 62 -1.388 -13.058 4.086 1.00 1.64 H new ATOM 0 HG3 GLU A 62 0.114 -13.959 4.054 1.00 1.64 H new ATOM 945 N GLU A 63 -0.662 -9.237 5.093 1.00 1.08 N ATOM 946 CA GLU A 63 -1.631 -8.173 4.927 1.00 1.10 C ATOM 947 C GLU A 63 -1.259 -7.294 3.746 1.00 1.05 C ATOM 948 O GLU A 63 -2.138 -6.902 2.987 1.00 1.12 O ATOM 949 CB GLU A 63 -1.733 -7.335 6.188 1.00 1.12 C ATOM 950 CG GLU A 63 -2.196 -8.186 7.370 1.00 1.35 C ATOM 951 CD GLU A 63 -2.544 -7.287 8.527 1.00 1.30 C ATOM 952 OE1 GLU A 63 -2.473 -6.048 8.407 1.00 2.57 O ATOM 953 OE2 GLU A 63 -2.911 -7.756 9.620 1.00 1.75 O ATOM 0 H GLU A 63 -0.149 -9.211 5.974 1.00 1.08 H new ATOM 0 HA GLU A 63 -2.603 -8.628 4.734 1.00 1.10 H new ATOM 0 HB2 GLU A 63 -0.764 -6.889 6.413 1.00 1.12 H new ATOM 0 HB3 GLU A 63 -2.433 -6.514 6.029 1.00 1.12 H new ATOM 0 HG2 GLU A 63 -3.063 -8.783 7.085 1.00 1.35 H new ATOM 0 HG3 GLU A 63 -1.410 -8.883 7.660 1.00 1.35 H new ATOM 960 N LEU A 64 0.031 -7.000 3.573 1.00 1.02 N ATOM 961 CA LEU A 64 0.499 -6.329 2.371 1.00 1.10 C ATOM 962 C LEU A 64 0.113 -7.139 1.124 1.00 1.18 C ATOM 963 O LEU A 64 -0.501 -6.616 0.196 1.00 1.37 O ATOM 964 CB LEU A 64 2.004 -6.044 2.465 1.00 1.13 C ATOM 965 CG LEU A 64 2.255 -4.620 2.980 1.00 1.46 C ATOM 966 CD1 LEU A 64 3.701 -4.473 3.457 1.00 2.19 C ATOM 967 CD2 LEU A 64 2.006 -3.591 1.871 1.00 2.28 C ATOM 0 H LEU A 64 0.763 -7.217 4.250 1.00 1.02 H new ATOM 0 HA LEU A 64 0.007 -5.360 2.279 1.00 1.10 H new ATOM 0 HB2 LEU A 64 2.475 -6.766 3.132 1.00 1.13 H new ATOM 0 HB3 LEU A 64 2.465 -6.168 1.485 1.00 1.13 H new ATOM 0 HG LEU A 64 1.569 -4.442 3.808 1.00 1.46 H new ATOM 0 HD11 LEU A 64 3.863 -3.458 3.819 1.00 2.19 H new ATOM 0 HD12 LEU A 64 3.892 -5.181 4.264 1.00 2.19 H new ATOM 0 HD13 LEU A 64 4.380 -4.675 2.629 1.00 2.19 H new ATOM 0 HD21 LEU A 64 2.190 -2.588 2.257 1.00 2.28 H new ATOM 0 HD22 LEU A 64 2.678 -3.787 1.035 1.00 2.28 H new ATOM 0 HD23 LEU A 64 0.973 -3.665 1.531 1.00 2.28 H new ATOM 979 N LYS A 65 0.428 -8.433 1.132 1.00 1.36 N ATOM 980 CA LYS A 65 0.136 -9.394 0.074 1.00 1.53 C ATOM 981 C LYS A 65 -1.367 -9.540 -0.185 1.00 1.32 C ATOM 982 O LYS A 65 -1.759 -10.045 -1.235 1.00 1.62 O ATOM 983 CB LYS A 65 0.795 -10.729 0.438 1.00 1.98 C ATOM 984 CG LYS A 65 1.015 -11.656 -0.766 1.00 2.36 C ATOM 985 CD LYS A 65 2.073 -12.722 -0.441 1.00 3.12 C ATOM 986 CE LYS A 65 1.644 -13.695 0.670 1.00 3.29 C ATOM 987 NZ LYS A 65 2.810 -14.245 1.394 1.00 4.26 N ATOM 0 H LYS A 65 0.919 -8.860 1.918 1.00 1.36 H new ATOM 0 HA LYS A 65 0.551 -9.030 -0.866 1.00 1.53 H new ATOM 0 HB2 LYS A 65 1.755 -10.532 0.914 1.00 1.98 H new ATOM 0 HB3 LYS A 65 0.174 -11.242 1.172 1.00 1.98 H new ATOM 0 HG2 LYS A 65 0.076 -12.139 -1.037 1.00 2.36 H new ATOM 0 HG3 LYS A 65 1.333 -11.071 -1.629 1.00 2.36 H new ATOM 0 HD2 LYS A 65 2.294 -13.290 -1.345 1.00 3.12 H new ATOM 0 HD3 LYS A 65 2.997 -12.226 -0.142 1.00 3.12 H new ATOM 0 HE2 LYS A 65 0.989 -13.180 1.373 1.00 3.29 H new ATOM 0 HE3 LYS A 65 1.067 -14.511 0.236 1.00 3.29 H new ATOM 0 HZ1 LYS A 65 2.651 -15.253 1.593 1.00 4.26 H new ATOM 0 HZ2 LYS A 65 3.664 -14.138 0.810 1.00 4.26 H new ATOM 0 HZ3 LYS A 65 2.937 -13.731 2.289 1.00 4.26 H new ATOM 1001 N PHE A 66 -2.209 -9.075 0.742 1.00 0.98 N ATOM 1002 CA PHE A 66 -3.644 -8.954 0.549 1.00 0.97 C ATOM 1003 C PHE A 66 -4.124 -7.557 0.971 1.00 0.80 C ATOM 1004 O PHE A 66 -5.096 -7.450 1.720 1.00 1.24 O ATOM 1005 CB PHE A 66 -4.352 -10.081 1.320 1.00 1.44 C ATOM 1006 CG PHE A 66 -3.922 -11.485 0.922 1.00 2.93 C ATOM 1007 CD1 PHE A 66 -4.268 -12.005 -0.340 1.00 4.04 C ATOM 1008 CD2 PHE A 66 -3.150 -12.265 1.803 1.00 4.39 C ATOM 1009 CE1 PHE A 66 -3.838 -13.289 -0.719 1.00 5.62 C ATOM 1010 CE2 PHE A 66 -2.706 -13.543 1.418 1.00 5.93 C ATOM 1011 CZ PHE A 66 -3.052 -14.056 0.157 1.00 6.31 C ATOM 0 H PHE A 66 -1.899 -8.768 1.664 1.00 0.98 H new ATOM 0 HA PHE A 66 -3.894 -9.062 -0.506 1.00 0.97 H new ATOM 0 HB2 PHE A 66 -4.167 -9.947 2.386 1.00 1.44 H new ATOM 0 HB3 PHE A 66 -5.427 -9.988 1.169 1.00 1.44 H new ATOM 0 HD1 PHE A 66 -4.866 -11.415 -1.019 1.00 4.04 H new ATOM 0 HD2 PHE A 66 -2.897 -11.880 2.780 1.00 4.39 H new ATOM 0 HE1 PHE A 66 -4.112 -13.686 -1.685 1.00 5.62 H new ATOM 0 HE2 PHE A 66 -2.099 -14.130 2.092 1.00 5.93 H new ATOM 0 HZ PHE A 66 -2.714 -15.038 -0.139 1.00 6.31 H new ATOM 1021 N PHE A 67 -3.461 -6.491 0.499 1.00 0.63 N ATOM 1022 CA PHE A 67 -3.776 -5.102 0.841 1.00 0.77 C ATOM 1023 C PHE A 67 -4.868 -4.554 -0.076 1.00 0.87 C ATOM 1024 O PHE A 67 -6.032 -4.486 0.322 1.00 1.27 O ATOM 1025 CB PHE A 67 -2.504 -4.243 0.792 1.00 0.87 C ATOM 1026 CG PHE A 67 -2.669 -2.799 1.235 1.00 1.35 C ATOM 1027 CD1 PHE A 67 -2.572 -2.484 2.596 1.00 2.79 C ATOM 1028 CD2 PHE A 67 -2.862 -1.767 0.301 1.00 1.88 C ATOM 1029 CE1 PHE A 67 -2.695 -1.152 3.034 1.00 3.45 C ATOM 1030 CE2 PHE A 67 -3.023 -0.439 0.732 1.00 2.17 C ATOM 1031 CZ PHE A 67 -2.944 -0.130 2.101 1.00 2.68 C ATOM 0 H PHE A 67 -2.674 -6.576 -0.145 1.00 0.63 H new ATOM 0 HA PHE A 67 -4.163 -5.066 1.860 1.00 0.77 H new ATOM 0 HB2 PHE A 67 -1.746 -4.712 1.419 1.00 0.87 H new ATOM 0 HB3 PHE A 67 -2.122 -4.250 -0.229 1.00 0.87 H new ATOM 0 HD1 PHE A 67 -2.401 -3.270 3.316 1.00 2.79 H new ATOM 0 HD2 PHE A 67 -2.887 -1.996 -0.754 1.00 1.88 H new ATOM 0 HE1 PHE A 67 -2.598 -0.916 4.083 1.00 3.45 H new ATOM 0 HE2 PHE A 67 -3.207 0.344 0.011 1.00 2.17 H new ATOM 0 HZ PHE A 67 -3.074 0.889 2.435 1.00 2.68 H new ATOM 1041 N LEU A 68 -4.514 -4.202 -1.321 1.00 0.66 N ATOM 1042 CA LEU A 68 -5.446 -3.599 -2.272 1.00 0.71 C ATOM 1043 C LEU A 68 -6.640 -4.506 -2.606 1.00 0.67 C ATOM 1044 O LEU A 68 -7.591 -4.062 -3.248 1.00 0.76 O ATOM 1045 CB LEU A 68 -4.736 -3.192 -3.570 1.00 0.83 C ATOM 1046 CG LEU A 68 -3.618 -2.150 -3.461 1.00 1.10 C ATOM 1047 CD1 LEU A 68 -2.951 -1.990 -4.835 1.00 2.07 C ATOM 1048 CD2 LEU A 68 -4.113 -0.796 -2.937 1.00 2.52 C ATOM 0 H LEU A 68 -3.573 -4.329 -1.692 1.00 0.66 H new ATOM 0 HA LEU A 68 -5.835 -2.710 -1.775 1.00 0.71 H new ATOM 0 HB2 LEU A 68 -4.317 -4.091 -4.022 1.00 0.83 H new ATOM 0 HB3 LEU A 68 -5.488 -2.810 -4.260 1.00 0.83 H new ATOM 0 HG LEU A 68 -2.894 -2.509 -2.730 1.00 1.10 H new ATOM 0 HD11 LEU A 68 -2.153 -1.250 -4.768 1.00 2.07 H new ATOM 0 HD12 LEU A 68 -2.534 -2.946 -5.150 1.00 2.07 H new ATOM 0 HD13 LEU A 68 -3.692 -1.660 -5.563 1.00 2.07 H new ATOM 0 HD21 LEU A 68 -3.276 -0.099 -2.882 1.00 2.52 H new ATOM 0 HD22 LEU A 68 -4.871 -0.400 -3.612 1.00 2.52 H new ATOM 0 HD23 LEU A 68 -4.544 -0.925 -1.944 1.00 2.52 H new ATOM 1060 N GLN A 69 -6.620 -5.769 -2.172 1.00 0.64 N ATOM 1061 CA GLN A 69 -7.783 -6.637 -2.218 1.00 0.62 C ATOM 1062 C GLN A 69 -9.010 -5.914 -1.653 1.00 0.75 C ATOM 1063 O GLN A 69 -9.963 -5.660 -2.383 1.00 1.21 O ATOM 1064 CB GLN A 69 -7.495 -7.934 -1.452 1.00 0.55 C ATOM 1065 CG GLN A 69 -6.319 -8.718 -2.046 1.00 1.07 C ATOM 1066 CD GLN A 69 -6.565 -9.145 -3.490 1.00 0.98 C ATOM 1067 OE1 GLN A 69 -7.378 -10.022 -3.752 1.00 1.65 O ATOM 1068 NE2 GLN A 69 -5.876 -8.527 -4.446 1.00 1.33 N ATOM 0 H GLN A 69 -5.790 -6.213 -1.779 1.00 0.64 H new ATOM 0 HA GLN A 69 -8.000 -6.895 -3.255 1.00 0.62 H new ATOM 0 HB2 GLN A 69 -7.280 -7.697 -0.410 1.00 0.55 H new ATOM 0 HB3 GLN A 69 -8.386 -8.562 -1.459 1.00 0.55 H new ATOM 0 HG2 GLN A 69 -5.419 -8.105 -2.001 1.00 1.07 H new ATOM 0 HG3 GLN A 69 -6.133 -9.602 -1.437 1.00 1.07 H new ATOM 0 HE21 GLN A 69 -5.204 -7.799 -4.201 1.00 1.33 H new ATOM 0 HE22 GLN A 69 -6.020 -8.781 -5.423 1.00 1.33 H new ATOM 1077 N LYS A 70 -8.990 -5.518 -0.378 1.00 1.00 N ATOM 1078 CA LYS A 70 -10.150 -4.875 0.242 1.00 1.20 C ATOM 1079 C LYS A 70 -10.156 -3.371 -0.073 1.00 0.84 C ATOM 1080 O LYS A 70 -10.286 -2.539 0.821 1.00 1.55 O ATOM 1081 CB LYS A 70 -10.190 -5.215 1.741 1.00 2.24 C ATOM 1082 CG LYS A 70 -9.108 -4.494 2.556 1.00 1.13 C ATOM 1083 CD LYS A 70 -8.463 -5.370 3.637 1.00 1.08 C ATOM 1084 CE LYS A 70 -7.490 -6.381 3.023 1.00 2.35 C ATOM 1085 NZ LYS A 70 -6.364 -6.701 3.924 1.00 3.83 N ATOM 0 H LYS A 70 -8.188 -5.631 0.242 1.00 1.00 H new ATOM 0 HA LYS A 70 -11.078 -5.262 -0.179 1.00 1.20 H new ATOM 0 HB2 LYS A 70 -11.170 -4.953 2.140 1.00 2.24 H new ATOM 0 HB3 LYS A 70 -10.072 -6.291 1.866 1.00 2.24 H new ATOM 0 HG2 LYS A 70 -8.332 -4.139 1.878 1.00 1.13 H new ATOM 0 HG3 LYS A 70 -9.547 -3.615 3.028 1.00 1.13 H new ATOM 0 HD2 LYS A 70 -7.934 -4.740 4.352 1.00 1.08 H new ATOM 0 HD3 LYS A 70 -9.239 -5.898 4.191 1.00 1.08 H new ATOM 0 HE2 LYS A 70 -8.028 -7.297 2.780 1.00 2.35 H new ATOM 0 HE3 LYS A 70 -7.100 -5.982 2.086 1.00 2.35 H new ATOM 0 HZ1 LYS A 70 -5.544 -7.004 3.361 1.00 3.83 H new ATOM 0 HZ2 LYS A 70 -6.111 -5.857 4.477 1.00 3.83 H new ATOM 0 HZ3 LYS A 70 -6.643 -7.467 4.570 1.00 3.83 H new ATOM 1099 N PHE A 71 -9.962 -3.025 -1.349 1.00 1.07 N ATOM 1100 CA PHE A 71 -9.681 -1.666 -1.795 1.00 0.91 C ATOM 1101 C PHE A 71 -10.175 -1.520 -3.239 1.00 0.97 C ATOM 1102 O PHE A 71 -11.023 -0.678 -3.511 1.00 1.45 O ATOM 1103 CB PHE A 71 -8.170 -1.397 -1.644 1.00 1.55 C ATOM 1104 CG PHE A 71 -7.741 0.006 -1.267 1.00 1.42 C ATOM 1105 CD1 PHE A 71 -8.285 1.112 -1.938 1.00 2.27 C ATOM 1106 CD2 PHE A 71 -6.667 0.197 -0.374 1.00 2.58 C ATOM 1107 CE1 PHE A 71 -7.739 2.392 -1.750 1.00 3.11 C ATOM 1108 CE2 PHE A 71 -6.172 1.490 -0.127 1.00 2.92 C ATOM 1109 CZ PHE A 71 -6.696 2.588 -0.828 1.00 2.89 C ATOM 0 H PHE A 71 -9.998 -3.699 -2.113 1.00 1.07 H new ATOM 0 HA PHE A 71 -10.202 -0.923 -1.192 1.00 0.91 H new ATOM 0 HB2 PHE A 71 -7.781 -2.081 -0.890 1.00 1.55 H new ATOM 0 HB3 PHE A 71 -7.687 -1.654 -2.587 1.00 1.55 H new ATOM 0 HD1 PHE A 71 -9.127 0.978 -2.601 1.00 2.27 H new ATOM 0 HD2 PHE A 71 -6.223 -0.653 0.122 1.00 2.58 H new ATOM 0 HE1 PHE A 71 -8.122 3.229 -2.316 1.00 3.11 H new ATOM 0 HE2 PHE A 71 -5.389 1.638 0.602 1.00 2.92 H new ATOM 0 HZ PHE A 71 -6.300 3.578 -0.660 1.00 2.89 H new ATOM 1119 N GLU A 72 -9.652 -2.364 -4.137 1.00 0.89 N ATOM 1120 CA GLU A 72 -10.039 -2.477 -5.545 1.00 1.35 C ATOM 1121 C GLU A 72 -10.807 -3.789 -5.773 1.00 1.75 C ATOM 1122 O GLU A 72 -11.755 -3.840 -6.555 1.00 3.39 O ATOM 1123 CB GLU A 72 -8.761 -2.423 -6.400 1.00 1.23 C ATOM 1124 CG GLU A 72 -8.993 -2.430 -7.920 1.00 1.40 C ATOM 1125 CD GLU A 72 -9.466 -1.084 -8.456 1.00 2.59 C ATOM 1126 OE1 GLU A 72 -10.627 -0.726 -8.168 1.00 3.27 O ATOM 1127 OE2 GLU A 72 -8.649 -0.437 -9.145 1.00 3.76 O ATOM 0 H GLU A 72 -8.911 -3.018 -3.887 1.00 0.89 H new ATOM 0 HA GLU A 72 -10.698 -1.657 -5.830 1.00 1.35 H new ATOM 0 HB2 GLU A 72 -8.204 -1.524 -6.137 1.00 1.23 H new ATOM 0 HB3 GLU A 72 -8.132 -3.275 -6.140 1.00 1.23 H new ATOM 0 HG2 GLU A 72 -8.067 -2.710 -8.422 1.00 1.40 H new ATOM 0 HG3 GLU A 72 -9.732 -3.193 -8.166 1.00 1.40 H new ATOM 1134 N SER A 73 -10.398 -4.867 -5.088 1.00 1.47 N ATOM 1135 CA SER A 73 -10.901 -6.220 -5.276 1.00 1.46 C ATOM 1136 C SER A 73 -10.238 -6.823 -6.517 1.00 1.61 C ATOM 1137 O SER A 73 -10.494 -6.407 -7.643 1.00 3.24 O ATOM 1138 CB SER A 73 -12.442 -6.293 -5.239 1.00 1.96 C ATOM 1139 OG SER A 73 -13.017 -6.223 -6.525 1.00 2.41 O ATOM 0 H SER A 73 -9.682 -4.810 -4.364 1.00 1.47 H new ATOM 0 HA SER A 73 -10.618 -6.848 -4.431 1.00 1.46 H new ATOM 0 HB2 SER A 73 -12.747 -7.222 -4.758 1.00 1.96 H new ATOM 0 HB3 SER A 73 -12.827 -5.477 -4.628 1.00 1.96 H new ATOM 0 HG SER A 73 -12.780 -5.369 -6.943 1.00 2.41 H new ATOM 1145 N GLY A 74 -9.324 -7.770 -6.300 1.00 1.24 N ATOM 1146 CA GLY A 74 -8.559 -8.367 -7.385 1.00 1.23 C ATOM 1147 C GLY A 74 -7.522 -7.377 -7.910 1.00 1.07 C ATOM 1148 O GLY A 74 -7.397 -7.171 -9.115 1.00 1.40 O ATOM 0 H GLY A 74 -9.098 -8.139 -5.376 1.00 1.24 H new ATOM 0 HA2 GLY A 74 -8.063 -9.272 -7.034 1.00 1.23 H new ATOM 0 HA3 GLY A 74 -9.230 -8.664 -8.192 1.00 1.23 H new ATOM 1152 N ALA A 75 -6.770 -6.779 -6.982 1.00 0.79 N ATOM 1153 CA ALA A 75 -5.646 -5.910 -7.290 1.00 0.80 C ATOM 1154 C ALA A 75 -4.419 -6.756 -7.650 1.00 0.94 C ATOM 1155 O ALA A 75 -4.577 -7.834 -8.217 1.00 1.45 O ATOM 1156 CB ALA A 75 -5.402 -5.018 -6.082 1.00 0.68 C ATOM 0 H ALA A 75 -6.933 -6.891 -5.981 1.00 0.79 H new ATOM 0 HA ALA A 75 -5.856 -5.279 -8.154 1.00 0.80 H new ATOM 0 HB1 ALA A 75 -4.562 -4.353 -6.284 1.00 0.68 H new ATOM 0 HB2 ALA A 75 -6.294 -4.425 -5.882 1.00 0.68 H new ATOM 0 HB3 ALA A 75 -5.175 -5.636 -5.213 1.00 0.68 H new ATOM 1162 N ARG A 76 -3.199 -6.302 -7.324 1.00 0.80 N ATOM 1163 CA ARG A 76 -1.976 -6.946 -7.790 1.00 0.93 C ATOM 1164 C ARG A 76 -1.297 -7.807 -6.718 1.00 0.86 C ATOM 1165 O ARG A 76 -0.659 -8.807 -7.049 1.00 1.21 O ATOM 1166 CB ARG A 76 -1.024 -5.886 -8.353 1.00 1.12 C ATOM 1167 CG ARG A 76 0.214 -6.515 -8.995 1.00 0.97 C ATOM 1168 CD ARG A 76 -0.163 -7.604 -10.002 1.00 0.85 C ATOM 1169 NE ARG A 76 1.031 -8.093 -10.671 1.00 1.69 N ATOM 1170 CZ ARG A 76 1.264 -8.081 -11.980 1.00 2.34 C ATOM 1171 NH1 ARG A 76 0.612 -7.230 -12.768 1.00 2.77 N ATOM 1172 NH2 ARG A 76 2.171 -8.928 -12.457 1.00 3.53 N ATOM 0 H ARG A 76 -3.040 -5.485 -6.735 1.00 0.80 H new ATOM 0 HA ARG A 76 -2.251 -7.642 -8.582 1.00 0.93 H new ATOM 0 HB2 ARG A 76 -1.550 -5.282 -9.093 1.00 1.12 H new ATOM 0 HB3 ARG A 76 -0.716 -5.213 -7.553 1.00 1.12 H new ATOM 0 HG2 ARG A 76 0.797 -5.742 -9.496 1.00 0.97 H new ATOM 0 HG3 ARG A 76 0.850 -6.941 -8.219 1.00 0.97 H new ATOM 0 HD2 ARG A 76 -0.667 -8.425 -9.492 1.00 0.85 H new ATOM 0 HD3 ARG A 76 -0.864 -7.206 -10.735 1.00 0.85 H new ATOM 0 HE ARG A 76 1.763 -8.484 -10.078 1.00 1.69 H new ATOM 0 HH11 ARG A 76 -0.069 -6.584 -12.368 1.00 2.77 H new ATOM 0 HH12 ARG A 76 0.793 -7.223 -13.772 1.00 2.77 H new ATOM 0 HH21 ARG A 76 2.662 -9.559 -11.824 1.00 3.53 H new ATOM 0 HH22 ARG A 76 2.376 -8.947 -13.456 1.00 3.53 H new ATOM 1186 N GLU A 77 -1.447 -7.411 -5.453 1.00 1.06 N ATOM 1187 CA GLU A 77 -0.858 -7.952 -4.228 1.00 1.06 C ATOM 1188 C GLU A 77 -0.574 -9.458 -4.230 1.00 0.89 C ATOM 1189 O GLU A 77 0.374 -9.913 -3.596 1.00 0.88 O ATOM 1190 CB GLU A 77 -1.769 -7.623 -3.037 1.00 1.25 C ATOM 1191 CG GLU A 77 -2.615 -6.352 -3.143 1.00 1.59 C ATOM 1192 CD GLU A 77 -1.800 -5.115 -3.468 1.00 2.70 C ATOM 1193 OE1 GLU A 77 -1.635 -4.881 -4.686 1.00 3.75 O ATOM 1194 OE2 GLU A 77 -1.436 -4.416 -2.503 1.00 3.50 O ATOM 0 H GLU A 77 -2.050 -6.617 -5.239 1.00 1.06 H new ATOM 0 HA GLU A 77 0.118 -7.472 -4.152 1.00 1.06 H new ATOM 0 HB2 GLU A 77 -2.442 -8.466 -2.881 1.00 1.25 H new ATOM 0 HB3 GLU A 77 -1.147 -7.543 -2.146 1.00 1.25 H new ATOM 0 HG2 GLU A 77 -3.373 -6.492 -3.913 1.00 1.59 H new ATOM 0 HG3 GLU A 77 -3.142 -6.195 -2.202 1.00 1.59 H new ATOM 1201 N LEU A 78 -1.415 -10.231 -4.922 1.00 0.85 N ATOM 1202 CA LEU A 78 -1.214 -11.645 -5.183 1.00 0.85 C ATOM 1203 C LEU A 78 0.259 -11.938 -5.502 1.00 0.69 C ATOM 1204 O LEU A 78 0.813 -12.896 -4.967 1.00 0.72 O ATOM 1205 CB LEU A 78 -2.097 -12.153 -6.339 1.00 1.02 C ATOM 1206 CG LEU A 78 -3.591 -11.768 -6.378 1.00 1.26 C ATOM 1207 CD1 LEU A 78 -4.271 -11.696 -5.006 1.00 1.36 C ATOM 1208 CD2 LEU A 78 -3.850 -10.485 -7.176 1.00 1.34 C ATOM 0 H LEU A 78 -2.280 -9.871 -5.326 1.00 0.85 H new ATOM 0 HA LEU A 78 -1.503 -12.174 -4.275 1.00 0.85 H new ATOM 0 HB2 LEU A 78 -1.646 -11.809 -7.270 1.00 1.02 H new ATOM 0 HB3 LEU A 78 -2.040 -13.241 -6.340 1.00 1.02 H new ATOM 0 HG LEU A 78 -4.058 -12.601 -6.903 1.00 1.26 H new ATOM 0 HD11 LEU A 78 -5.318 -11.419 -5.133 1.00 1.36 H new ATOM 0 HD12 LEU A 78 -4.210 -12.669 -4.518 1.00 1.36 H new ATOM 0 HD13 LEU A 78 -3.770 -10.949 -4.390 1.00 1.36 H new ATOM 0 HD21 LEU A 78 -4.917 -10.262 -7.170 1.00 1.34 H new ATOM 0 HD22 LEU A 78 -3.304 -9.658 -6.722 1.00 1.34 H new ATOM 0 HD23 LEU A 78 -3.514 -10.622 -8.204 1.00 1.34 H new ATOM 1220 N THR A 79 0.900 -11.136 -6.368 1.00 0.61 N ATOM 1221 CA THR A 79 2.319 -11.342 -6.622 1.00 0.48 C ATOM 1222 C THR A 79 3.156 -10.904 -5.425 1.00 0.44 C ATOM 1223 O THR A 79 3.148 -9.739 -5.017 1.00 0.44 O ATOM 1224 CB THR A 79 2.871 -10.596 -7.834 1.00 0.56 C ATOM 1225 OG1 THR A 79 2.100 -10.657 -8.995 1.00 0.85 O ATOM 1226 CG2 THR A 79 4.235 -11.196 -8.195 1.00 0.83 C ATOM 0 H THR A 79 0.470 -10.368 -6.883 1.00 0.61 H new ATOM 0 HA THR A 79 2.394 -12.412 -6.815 1.00 0.48 H new ATOM 0 HB THR A 79 2.899 -9.551 -7.524 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.513 -10.104 -9.691 1.00 0.85 H new ATOM 0 HG21 THR A 79 4.645 -10.674 -9.060 1.00 0.83 H new ATOM 0 HG22 THR A 79 4.915 -11.088 -7.350 1.00 0.83 H new ATOM 0 HG23 THR A 79 4.116 -12.253 -8.432 1.00 0.83 H new ATOM 1234 N GLU A 80 3.985 -11.825 -4.950 1.00 0.48 N ATOM 1235 CA GLU A 80 4.881 -11.554 -3.845 1.00 0.50 C ATOM 1236 C GLU A 80 5.992 -10.578 -4.242 1.00 0.46 C ATOM 1237 O GLU A 80 6.301 -9.701 -3.445 1.00 0.51 O ATOM 1238 CB GLU A 80 5.352 -12.845 -3.174 1.00 0.58 C ATOM 1239 CG GLU A 80 6.066 -13.839 -4.096 1.00 1.58 C ATOM 1240 CD GLU A 80 6.425 -15.100 -3.317 1.00 1.73 C ATOM 1241 OE1 GLU A 80 5.482 -15.704 -2.763 1.00 2.37 O ATOM 1242 OE2 GLU A 80 7.632 -15.418 -3.274 1.00 2.90 O ATOM 0 H GLU A 80 4.051 -12.773 -5.320 1.00 0.48 H new ATOM 0 HA GLU A 80 4.328 -11.029 -3.067 1.00 0.50 H new ATOM 0 HB2 GLU A 80 6.024 -12.586 -2.356 1.00 0.58 H new ATOM 0 HB3 GLU A 80 4.488 -13.341 -2.731 1.00 0.58 H new ATOM 0 HG2 GLU A 80 5.424 -14.092 -4.940 1.00 1.58 H new ATOM 0 HG3 GLU A 80 6.968 -13.385 -4.507 1.00 1.58 H new ATOM 1249 N SER A 81 6.550 -10.663 -5.460 1.00 0.46 N ATOM 1250 CA SER A 81 7.433 -9.623 -5.998 1.00 0.54 C ATOM 1251 C SER A 81 6.822 -8.230 -5.828 1.00 0.53 C ATOM 1252 O SER A 81 7.327 -7.453 -5.022 1.00 0.53 O ATOM 1253 CB SER A 81 7.786 -9.850 -7.473 1.00 0.62 C ATOM 1254 OG SER A 81 8.741 -10.874 -7.650 1.00 1.15 O ATOM 0 H SER A 81 6.402 -11.449 -6.093 1.00 0.46 H new ATOM 0 HA SER A 81 8.355 -9.686 -5.420 1.00 0.54 H new ATOM 0 HB2 SER A 81 6.881 -10.103 -8.025 1.00 0.62 H new ATOM 0 HB3 SER A 81 8.170 -8.923 -7.898 1.00 0.62 H new ATOM 0 HG SER A 81 9.161 -10.781 -8.531 1.00 1.15 H new ATOM 1260 N GLU A 82 5.749 -7.912 -6.567 1.00 0.63 N ATOM 1261 CA GLU A 82 5.120 -6.603 -6.555 1.00 0.66 C ATOM 1262 C GLU A 82 4.875 -6.138 -5.116 1.00 0.67 C ATOM 1263 O GLU A 82 5.199 -5.003 -4.769 1.00 0.80 O ATOM 1264 CB GLU A 82 3.815 -6.602 -7.381 1.00 0.64 C ATOM 1265 CG GLU A 82 3.990 -6.697 -8.916 1.00 1.05 C ATOM 1266 CD GLU A 82 4.323 -8.086 -9.450 1.00 1.90 C ATOM 1267 OE1 GLU A 82 5.466 -8.509 -9.198 1.00 3.11 O ATOM 1268 OE2 GLU A 82 3.470 -8.716 -10.123 1.00 3.29 O ATOM 0 H GLU A 82 5.295 -8.574 -7.196 1.00 0.63 H new ATOM 0 HA GLU A 82 5.800 -5.893 -7.026 1.00 0.66 H new ATOM 0 HB2 GLU A 82 3.198 -7.438 -7.052 1.00 0.64 H new ATOM 0 HB3 GLU A 82 3.263 -5.690 -7.153 1.00 0.64 H new ATOM 0 HG2 GLU A 82 3.071 -6.354 -9.392 1.00 1.05 H new ATOM 0 HG3 GLU A 82 4.781 -6.011 -9.218 1.00 1.05 H new ATOM 1275 N THR A 83 4.349 -7.020 -4.258 1.00 0.59 N ATOM 1276 CA THR A 83 4.149 -6.668 -2.862 1.00 0.71 C ATOM 1277 C THR A 83 5.482 -6.313 -2.210 1.00 0.75 C ATOM 1278 O THR A 83 5.618 -5.296 -1.525 1.00 0.86 O ATOM 1279 CB THR A 83 3.431 -7.805 -2.110 1.00 0.73 C ATOM 1280 OG1 THR A 83 2.043 -7.621 -2.246 1.00 0.87 O ATOM 1281 CG2 THR A 83 3.749 -7.847 -0.610 1.00 1.05 C ATOM 0 H THR A 83 4.061 -7.966 -4.507 1.00 0.59 H new ATOM 0 HA THR A 83 3.507 -5.788 -2.809 1.00 0.71 H new ATOM 0 HB THR A 83 3.779 -8.741 -2.547 1.00 0.73 H new ATOM 0 HG1 THR A 83 1.650 -8.406 -2.682 1.00 0.87 H new ATOM 0 HG21 THR A 83 3.209 -8.672 -0.146 1.00 1.05 H new ATOM 0 HG22 THR A 83 4.820 -7.990 -0.469 1.00 1.05 H new ATOM 0 HG23 THR A 83 3.444 -6.908 -0.147 1.00 1.05 H new ATOM 1289 N LYS A 84 6.469 -7.185 -2.391 1.00 0.64 N ATOM 1290 CA LYS A 84 7.741 -7.064 -1.729 1.00 0.62 C ATOM 1291 C LYS A 84 8.469 -5.806 -2.187 1.00 0.62 C ATOM 1292 O LYS A 84 9.205 -5.228 -1.405 1.00 0.64 O ATOM 1293 CB LYS A 84 8.568 -8.348 -1.869 1.00 0.61 C ATOM 1294 CG LYS A 84 9.789 -8.254 -0.947 1.00 1.92 C ATOM 1295 CD LYS A 84 10.361 -9.627 -0.567 1.00 2.05 C ATOM 1296 CE LYS A 84 11.222 -10.254 -1.671 1.00 3.40 C ATOM 1297 NZ LYS A 84 12.521 -9.565 -1.819 1.00 4.73 N ATOM 0 H LYS A 84 6.398 -7.995 -3.006 1.00 0.64 H new ATOM 0 HA LYS A 84 7.574 -6.944 -0.659 1.00 0.62 H new ATOM 0 HB2 LYS A 84 7.964 -9.216 -1.607 1.00 0.61 H new ATOM 0 HB3 LYS A 84 8.886 -8.481 -2.903 1.00 0.61 H new ATOM 0 HG2 LYS A 84 10.565 -7.667 -1.439 1.00 1.92 H new ATOM 0 HG3 LYS A 84 9.511 -7.718 -0.039 1.00 1.92 H new ATOM 0 HD2 LYS A 84 10.961 -9.525 0.338 1.00 2.05 H new ATOM 0 HD3 LYS A 84 9.539 -10.302 -0.330 1.00 2.05 H new ATOM 0 HE2 LYS A 84 11.394 -11.306 -1.443 1.00 3.40 H new ATOM 0 HE3 LYS A 84 10.682 -10.217 -2.617 1.00 3.40 H new ATOM 0 HZ1 LYS A 84 13.124 -10.099 -2.477 1.00 4.73 H new ATOM 0 HZ2 LYS A 84 12.365 -8.607 -2.192 1.00 4.73 H new ATOM 0 HZ3 LYS A 84 12.989 -9.504 -0.892 1.00 4.73 H new ATOM 1311 N SER A 85 8.263 -5.342 -3.414 1.00 0.63 N ATOM 1312 CA SER A 85 8.740 -4.042 -3.851 1.00 0.64 C ATOM 1313 C SER A 85 8.217 -2.904 -2.958 1.00 0.68 C ATOM 1314 O SER A 85 8.934 -1.930 -2.737 1.00 0.92 O ATOM 1315 CB SER A 85 8.350 -3.838 -5.312 1.00 0.66 C ATOM 1316 OG SER A 85 8.701 -4.981 -6.069 1.00 1.34 O ATOM 0 H SER A 85 7.759 -5.861 -4.133 1.00 0.63 H new ATOM 0 HA SER A 85 9.826 -4.016 -3.762 1.00 0.64 H new ATOM 0 HB2 SER A 85 7.278 -3.655 -5.389 1.00 0.66 H new ATOM 0 HB3 SER A 85 8.853 -2.958 -5.712 1.00 0.66 H new ATOM 0 HG SER A 85 8.447 -4.844 -7.005 1.00 1.34 H new ATOM 1322 N LEU A 86 6.994 -3.019 -2.424 1.00 0.55 N ATOM 1323 CA LEU A 86 6.504 -2.102 -1.399 1.00 0.59 C ATOM 1324 C LEU A 86 7.246 -2.401 -0.094 1.00 0.61 C ATOM 1325 O LEU A 86 7.961 -1.540 0.430 1.00 0.72 O ATOM 1326 CB LEU A 86 4.974 -2.228 -1.236 1.00 0.62 C ATOM 1327 CG LEU A 86 4.307 -0.900 -0.836 1.00 1.20 C ATOM 1328 CD1 LEU A 86 2.794 -1.073 -0.654 1.00 1.79 C ATOM 1329 CD2 LEU A 86 4.888 -0.346 0.465 1.00 2.58 C ATOM 0 H LEU A 86 6.327 -3.743 -2.690 1.00 0.55 H new ATOM 0 HA LEU A 86 6.699 -1.070 -1.691 1.00 0.59 H new ATOM 0 HB2 LEU A 86 4.541 -2.580 -2.172 1.00 0.62 H new ATOM 0 HB3 LEU A 86 4.754 -2.982 -0.480 1.00 0.62 H new ATOM 0 HG LEU A 86 4.505 -0.199 -1.647 1.00 1.20 H new ATOM 0 HD11 LEU A 86 2.350 -0.118 -0.372 1.00 1.79 H new ATOM 0 HD12 LEU A 86 2.352 -1.416 -1.589 1.00 1.79 H new ATOM 0 HD13 LEU A 86 2.603 -1.807 0.129 1.00 1.79 H new ATOM 0 HD21 LEU A 86 4.392 0.592 0.715 1.00 2.58 H new ATOM 0 HD22 LEU A 86 4.731 -1.065 1.269 1.00 2.58 H new ATOM 0 HD23 LEU A 86 5.956 -0.169 0.340 1.00 2.58 H new ATOM 1341 N MET A 87 7.073 -3.630 0.415 1.00 0.53 N ATOM 1342 CA MET A 87 7.601 -4.043 1.713 1.00 0.48 C ATOM 1343 C MET A 87 9.060 -3.607 1.879 1.00 0.48 C ATOM 1344 O MET A 87 9.404 -2.931 2.836 1.00 0.61 O ATOM 1345 CB MET A 87 7.470 -5.563 1.884 1.00 0.49 C ATOM 1346 CG MET A 87 7.921 -6.049 3.273 1.00 0.76 C ATOM 1347 SD MET A 87 9.204 -7.329 3.249 1.00 2.05 S ATOM 1348 CE MET A 87 8.259 -8.708 2.573 1.00 2.86 C ATOM 0 H MET A 87 6.559 -4.366 -0.070 1.00 0.53 H new ATOM 0 HA MET A 87 7.014 -3.552 2.489 1.00 0.48 H new ATOM 0 HB2 MET A 87 6.432 -5.854 1.722 1.00 0.49 H new ATOM 0 HB3 MET A 87 8.064 -6.062 1.119 1.00 0.49 H new ATOM 0 HG2 MET A 87 8.291 -5.194 3.839 1.00 0.76 H new ATOM 0 HG3 MET A 87 7.053 -6.434 3.808 1.00 0.76 H new ATOM 0 HE1 MET A 87 8.857 -9.618 2.623 1.00 2.86 H new ATOM 0 HE2 MET A 87 7.346 -8.842 3.152 1.00 2.86 H new ATOM 0 HE3 MET A 87 8.002 -8.499 1.534 1.00 2.86 H new ATOM 1358 N ALA A 88 9.899 -3.980 0.916 1.00 0.45 N ATOM 1359 CA ALA A 88 11.324 -3.702 0.824 1.00 0.50 C ATOM 1360 C ALA A 88 11.686 -2.264 1.197 1.00 0.54 C ATOM 1361 O ALA A 88 12.742 -2.038 1.781 1.00 0.81 O ATOM 1362 CB ALA A 88 11.785 -4.014 -0.605 1.00 0.51 C ATOM 0 H ALA A 88 9.572 -4.527 0.120 1.00 0.45 H new ATOM 0 HA ALA A 88 11.837 -4.335 1.548 1.00 0.50 H new ATOM 0 HB1 ALA A 88 12.852 -3.812 -0.695 1.00 0.51 H new ATOM 0 HB2 ALA A 88 11.594 -5.064 -0.828 1.00 0.51 H new ATOM 0 HB3 ALA A 88 11.236 -3.388 -1.309 1.00 0.51 H new ATOM 1368 N ALA A 89 10.850 -1.292 0.820 1.00 0.41 N ATOM 1369 CA ALA A 89 11.136 0.120 1.040 1.00 0.48 C ATOM 1370 C ALA A 89 10.434 0.622 2.297 1.00 0.51 C ATOM 1371 O ALA A 89 11.016 1.349 3.096 1.00 0.62 O ATOM 1372 CB ALA A 89 10.674 0.908 -0.179 1.00 0.53 C ATOM 0 H ALA A 89 9.959 -1.466 0.355 1.00 0.41 H new ATOM 0 HA ALA A 89 12.208 0.257 1.182 1.00 0.48 H new ATOM 0 HB1 ALA A 89 10.882 1.967 -0.028 1.00 0.53 H new ATOM 0 HB2 ALA A 89 11.206 0.556 -1.063 1.00 0.53 H new ATOM 0 HB3 ALA A 89 9.603 0.765 -0.320 1.00 0.53 H new ATOM 1378 N ALA A 90 9.161 0.247 2.445 1.00 0.48 N ATOM 1379 CA ALA A 90 8.350 0.571 3.610 1.00 0.49 C ATOM 1380 C ALA A 90 9.043 0.129 4.897 1.00 0.46 C ATOM 1381 O ALA A 90 9.055 0.856 5.888 1.00 0.55 O ATOM 1382 CB ALA A 90 7.004 -0.127 3.442 1.00 0.49 C ATOM 0 H ALA A 90 8.661 -0.300 1.744 1.00 0.48 H new ATOM 0 HA ALA A 90 8.207 1.649 3.685 1.00 0.49 H new ATOM 0 HB1 ALA A 90 6.369 0.095 4.300 1.00 0.49 H new ATOM 0 HB2 ALA A 90 6.521 0.228 2.532 1.00 0.49 H new ATOM 0 HB3 ALA A 90 7.159 -1.204 3.374 1.00 0.49 H new ATOM 1388 N ASP A 91 9.614 -1.075 4.868 1.00 0.39 N ATOM 1389 CA ASP A 91 10.297 -1.691 5.984 1.00 0.41 C ATOM 1390 C ASP A 91 11.652 -1.009 6.195 1.00 0.56 C ATOM 1391 O ASP A 91 12.703 -1.549 5.854 1.00 1.18 O ATOM 1392 CB ASP A 91 10.432 -3.191 5.707 1.00 0.44 C ATOM 1393 CG ASP A 91 10.918 -3.929 6.929 1.00 0.74 C ATOM 1394 OD1 ASP A 91 10.162 -3.973 7.927 1.00 0.99 O ATOM 1395 OD2 ASP A 91 12.015 -4.513 6.870 1.00 1.04 O ATOM 0 H ASP A 91 9.608 -1.661 4.033 1.00 0.39 H new ATOM 0 HA ASP A 91 9.730 -1.568 6.907 1.00 0.41 H new ATOM 0 HB2 ASP A 91 9.469 -3.594 5.395 1.00 0.44 H new ATOM 0 HB3 ASP A 91 11.127 -3.350 4.882 1.00 0.44 H new ATOM 1400 N ASN A 92 11.629 0.218 6.716 1.00 0.81 N ATOM 1401 CA ASN A 92 12.796 1.088 6.851 1.00 0.93 C ATOM 1402 C ASN A 92 13.690 0.684 8.029 1.00 0.86 C ATOM 1403 O ASN A 92 14.064 1.521 8.850 1.00 1.04 O ATOM 1404 CB ASN A 92 12.352 2.560 6.934 1.00 1.20 C ATOM 1405 CG ASN A 92 11.490 2.884 8.156 1.00 1.48 C ATOM 1406 OD1 ASN A 92 10.991 2.000 8.843 1.00 2.76 O ATOM 1407 ND2 ASN A 92 11.276 4.169 8.425 1.00 2.09 N ATOM 0 H ASN A 92 10.772 0.646 7.066 1.00 0.81 H new ATOM 0 HA ASN A 92 13.411 0.969 5.959 1.00 0.93 H new ATOM 0 HB2 ASN A 92 13.238 3.195 6.949 1.00 1.20 H new ATOM 0 HB3 ASN A 92 11.794 2.812 6.032 1.00 1.20 H new ATOM 0 HD21 ASN A 92 10.688 4.434 9.215 1.00 2.09 H new ATOM 0 HD22 ASN A 92 11.700 4.890 7.841 1.00 2.09 H new ATOM 1414 N ASP A 93 14.065 -0.595 8.079 1.00 0.96 N ATOM 1415 CA ASP A 93 14.823 -1.230 9.149 1.00 0.87 C ATOM 1416 C ASP A 93 15.401 -2.560 8.658 1.00 0.65 C ATOM 1417 O ASP A 93 16.587 -2.815 8.854 1.00 0.84 O ATOM 1418 CB ASP A 93 13.981 -1.384 10.428 1.00 1.16 C ATOM 1419 CG ASP A 93 12.631 -2.058 10.240 1.00 1.41 C ATOM 1420 OD1 ASP A 93 12.281 -2.515 9.134 1.00 3.70 O ATOM 1421 OD2 ASP A 93 11.821 -2.112 11.186 1.00 0.89 O ATOM 0 H ASP A 93 13.833 -1.249 7.331 1.00 0.96 H new ATOM 0 HA ASP A 93 15.658 -0.585 9.420 1.00 0.87 H new ATOM 0 HB2 ASP A 93 14.556 -1.957 11.155 1.00 1.16 H new ATOM 0 HB3 ASP A 93 13.818 -0.395 10.857 1.00 1.16 H new ATOM 1426 N GLY A 94 14.593 -3.383 7.987 1.00 0.58 N ATOM 1427 CA GLY A 94 15.053 -4.614 7.354 1.00 0.66 C ATOM 1428 C GLY A 94 14.724 -5.814 8.236 1.00 0.60 C ATOM 1429 O GLY A 94 15.604 -6.604 8.577 1.00 0.72 O ATOM 0 H GLY A 94 13.595 -3.210 7.868 1.00 0.58 H new ATOM 0 HA2 GLY A 94 14.579 -4.729 6.379 1.00 0.66 H new ATOM 0 HA3 GLY A 94 16.128 -4.564 7.182 1.00 0.66 H new ATOM 1433 N ASP A 95 13.443 -5.940 8.582 1.00 0.54 N ATOM 1434 CA ASP A 95 12.855 -7.045 9.327 1.00 0.57 C ATOM 1435 C ASP A 95 11.701 -7.664 8.522 1.00 0.59 C ATOM 1436 O ASP A 95 11.643 -8.884 8.370 1.00 0.70 O ATOM 1437 CB ASP A 95 12.444 -6.581 10.738 1.00 0.54 C ATOM 1438 CG ASP A 95 10.986 -6.163 10.829 1.00 0.98 C ATOM 1439 OD1 ASP A 95 10.149 -7.081 10.943 1.00 2.35 O ATOM 1440 OD2 ASP A 95 10.709 -4.947 10.718 1.00 1.51 O ATOM 0 H ASP A 95 12.752 -5.232 8.334 1.00 0.54 H new ATOM 0 HA ASP A 95 13.593 -7.835 9.471 1.00 0.57 H new ATOM 0 HB2 ASP A 95 12.629 -7.388 11.447 1.00 0.54 H new ATOM 0 HB3 ASP A 95 13.075 -5.744 11.036 1.00 0.54 H new ATOM 1445 N GLY A 96 10.807 -6.830 7.979 1.00 0.55 N ATOM 1446 CA GLY A 96 9.677 -7.226 7.155 1.00 0.55 C ATOM 1447 C GLY A 96 8.358 -6.716 7.737 1.00 0.52 C ATOM 1448 O GLY A 96 7.447 -6.365 6.989 1.00 0.66 O ATOM 0 H GLY A 96 10.860 -5.820 8.112 1.00 0.55 H new ATOM 0 HA2 GLY A 96 9.806 -6.836 6.145 1.00 0.55 H new ATOM 0 HA3 GLY A 96 9.646 -8.313 7.075 1.00 0.55 H new ATOM 1452 N LYS A 97 8.229 -6.702 9.067 1.00 0.45 N ATOM 1453 CA LYS A 97 7.047 -6.201 9.750 1.00 0.48 C ATOM 1454 C LYS A 97 7.020 -4.678 9.619 1.00 0.46 C ATOM 1455 O LYS A 97 8.018 -4.010 9.898 1.00 0.60 O ATOM 1456 CB LYS A 97 7.072 -6.625 11.226 1.00 0.52 C ATOM 1457 CG LYS A 97 7.087 -8.153 11.394 1.00 1.76 C ATOM 1458 CD LYS A 97 5.658 -8.699 11.501 1.00 3.04 C ATOM 1459 CE LYS A 97 5.634 -10.228 11.365 1.00 4.51 C ATOM 1460 NZ LYS A 97 4.314 -10.779 11.733 1.00 6.11 N ATOM 0 H LYS A 97 8.953 -7.043 9.700 1.00 0.45 H new ATOM 0 HA LYS A 97 6.146 -6.618 9.300 1.00 0.48 H new ATOM 0 HB2 LYS A 97 7.952 -6.200 11.709 1.00 0.52 H new ATOM 0 HB3 LYS A 97 6.200 -6.214 11.735 1.00 0.52 H new ATOM 0 HG2 LYS A 97 7.595 -8.612 10.546 1.00 1.76 H new ATOM 0 HG3 LYS A 97 7.652 -8.420 12.287 1.00 1.76 H new ATOM 0 HD2 LYS A 97 5.227 -8.410 12.459 1.00 3.04 H new ATOM 0 HD3 LYS A 97 5.037 -8.253 10.724 1.00 3.04 H new ATOM 0 HE2 LYS A 97 5.874 -10.508 10.339 1.00 4.51 H new ATOM 0 HE3 LYS A 97 6.403 -10.664 12.003 1.00 4.51 H new ATOM 0 HZ1 LYS A 97 4.241 -11.760 11.397 1.00 6.11 H new ATOM 0 HZ2 LYS A 97 4.205 -10.759 12.767 1.00 6.11 H new ATOM 0 HZ3 LYS A 97 3.564 -10.207 11.295 1.00 6.11 H new ATOM 1474 N ILE A 98 5.887 -4.132 9.173 1.00 0.39 N ATOM 1475 CA ILE A 98 5.724 -2.720 8.867 1.00 0.36 C ATOM 1476 C ILE A 98 4.631 -2.149 9.766 1.00 0.42 C ATOM 1477 O ILE A 98 3.470 -2.557 9.686 1.00 0.73 O ATOM 1478 CB ILE A 98 5.422 -2.581 7.367 1.00 0.39 C ATOM 1479 CG1 ILE A 98 6.736 -2.779 6.594 1.00 0.40 C ATOM 1480 CG2 ILE A 98 4.808 -1.224 6.996 1.00 0.49 C ATOM 1481 CD1 ILE A 98 6.483 -3.246 5.165 1.00 0.53 C ATOM 0 H ILE A 98 5.040 -4.678 9.013 1.00 0.39 H new ATOM 0 HA ILE A 98 6.630 -2.147 9.067 1.00 0.36 H new ATOM 0 HB ILE A 98 4.682 -3.337 7.104 1.00 0.39 H new ATOM 0 HG12 ILE A 98 7.294 -1.843 6.578 1.00 0.40 H new ATOM 0 HG13 ILE A 98 7.356 -3.511 7.112 1.00 0.40 H new ATOM 0 HG21 ILE A 98 4.619 -1.191 5.923 1.00 0.49 H new ATOM 0 HG22 ILE A 98 3.869 -1.090 7.534 1.00 0.49 H new ATOM 0 HG23 ILE A 98 5.499 -0.426 7.267 1.00 0.49 H new ATOM 0 HD11 ILE A 98 7.435 -3.375 4.650 1.00 0.53 H new ATOM 0 HD12 ILE A 98 5.948 -4.196 5.182 1.00 0.53 H new ATOM 0 HD13 ILE A 98 5.884 -2.502 4.640 1.00 0.53 H new ATOM 1493 N GLY A 99 5.009 -1.207 10.630 1.00 0.45 N ATOM 1494 CA GLY A 99 4.069 -0.477 11.465 1.00 0.48 C ATOM 1495 C GLY A 99 3.418 0.663 10.683 1.00 0.41 C ATOM 1496 O GLY A 99 3.886 1.047 9.608 1.00 0.37 O ATOM 0 H GLY A 99 5.981 -0.931 10.767 1.00 0.45 H new ATOM 0 HA2 GLY A 99 3.300 -1.156 11.834 1.00 0.48 H new ATOM 0 HA3 GLY A 99 4.586 -0.077 12.337 1.00 0.48 H new ATOM 1500 N ALA A 100 2.354 1.243 11.250 1.00 0.48 N ATOM 1501 CA ALA A 100 1.738 2.437 10.687 1.00 0.49 C ATOM 1502 C ALA A 100 2.770 3.549 10.599 1.00 0.44 C ATOM 1503 O ALA A 100 2.781 4.291 9.626 1.00 0.45 O ATOM 1504 CB ALA A 100 0.533 2.882 11.516 1.00 0.60 C ATOM 0 H ALA A 100 1.905 0.900 12.099 1.00 0.48 H new ATOM 0 HA ALA A 100 1.377 2.203 9.685 1.00 0.49 H new ATOM 0 HB1 ALA A 100 0.095 3.775 11.071 1.00 0.60 H new ATOM 0 HB2 ALA A 100 -0.210 2.085 11.535 1.00 0.60 H new ATOM 0 HB3 ALA A 100 0.854 3.104 12.534 1.00 0.60 H new ATOM 1510 N GLU A 101 3.641 3.630 11.606 1.00 0.48 N ATOM 1511 CA GLU A 101 4.754 4.555 11.643 1.00 0.53 C ATOM 1512 C GLU A 101 5.636 4.345 10.404 1.00 0.45 C ATOM 1513 O GLU A 101 5.615 5.181 9.504 1.00 0.47 O ATOM 1514 CB GLU A 101 5.479 4.384 12.986 1.00 0.69 C ATOM 1515 CG GLU A 101 4.543 4.817 14.135 1.00 1.78 C ATOM 1516 CD GLU A 101 4.915 4.231 15.491 1.00 2.10 C ATOM 1517 OE1 GLU A 101 6.051 3.732 15.623 1.00 2.64 O ATOM 1518 OE2 GLU A 101 4.025 4.278 16.368 1.00 2.94 O ATOM 0 H GLU A 101 3.583 3.037 12.434 1.00 0.48 H new ATOM 0 HA GLU A 101 4.429 5.594 11.594 1.00 0.53 H new ATOM 0 HB2 GLU A 101 5.779 3.345 13.119 1.00 0.69 H new ATOM 0 HB3 GLU A 101 6.389 4.983 12.999 1.00 0.69 H new ATOM 0 HG2 GLU A 101 4.551 5.905 14.206 1.00 1.78 H new ATOM 0 HG3 GLU A 101 3.523 4.521 13.890 1.00 1.78 H new ATOM 1525 N GLU A 102 6.307 3.186 10.302 1.00 0.43 N ATOM 1526 CA GLU A 102 7.112 2.801 9.139 1.00 0.41 C ATOM 1527 C GLU A 102 6.426 3.207 7.822 1.00 0.42 C ATOM 1528 O GLU A 102 7.030 3.842 6.955 1.00 0.51 O ATOM 1529 CB GLU A 102 7.404 1.284 9.145 1.00 0.37 C ATOM 1530 CG GLU A 102 8.138 0.761 10.395 1.00 0.62 C ATOM 1531 CD GLU A 102 8.724 -0.640 10.201 1.00 0.55 C ATOM 1532 OE1 GLU A 102 9.268 -0.975 9.131 1.00 1.17 O ATOM 1533 OE2 GLU A 102 8.679 -1.491 11.109 1.00 1.38 O ATOM 0 H GLU A 102 6.303 2.481 11.039 1.00 0.43 H new ATOM 0 HA GLU A 102 8.059 3.336 9.207 1.00 0.41 H new ATOM 0 HB2 GLU A 102 6.460 0.748 9.047 1.00 0.37 H new ATOM 0 HB3 GLU A 102 8.000 1.042 8.265 1.00 0.37 H new ATOM 0 HG2 GLU A 102 8.940 1.452 10.654 1.00 0.62 H new ATOM 0 HG3 GLU A 102 7.446 0.746 11.237 1.00 0.62 H new ATOM 1540 N PHE A 103 5.145 2.849 7.681 1.00 0.39 N ATOM 1541 CA PHE A 103 4.410 3.106 6.451 1.00 0.48 C ATOM 1542 C PHE A 103 4.198 4.605 6.211 1.00 0.49 C ATOM 1543 O PHE A 103 4.563 5.119 5.157 1.00 0.60 O ATOM 1544 CB PHE A 103 3.089 2.337 6.472 1.00 0.56 C ATOM 1545 CG PHE A 103 2.532 2.026 5.097 1.00 1.05 C ATOM 1546 CD1 PHE A 103 3.109 0.990 4.341 1.00 2.54 C ATOM 1547 CD2 PHE A 103 1.369 2.661 4.627 1.00 1.97 C ATOM 1548 CE1 PHE A 103 2.457 0.498 3.199 1.00 2.91 C ATOM 1549 CE2 PHE A 103 0.701 2.151 3.500 1.00 2.34 C ATOM 1550 CZ PHE A 103 1.236 1.061 2.792 1.00 2.20 C ATOM 0 H PHE A 103 4.602 2.381 8.406 1.00 0.39 H new ATOM 0 HA PHE A 103 5.005 2.749 5.611 1.00 0.48 H new ATOM 0 HB2 PHE A 103 3.234 1.402 7.014 1.00 0.56 H new ATOM 0 HB3 PHE A 103 2.352 2.917 7.028 1.00 0.56 H new ATOM 0 HD1 PHE A 103 4.058 0.571 4.640 1.00 2.54 H new ATOM 0 HD2 PHE A 103 0.990 3.538 5.130 1.00 1.97 H new ATOM 0 HE1 PHE A 103 2.894 -0.312 2.634 1.00 2.91 H new ATOM 0 HE2 PHE A 103 -0.227 2.599 3.177 1.00 2.34 H new ATOM 0 HZ PHE A 103 0.711 0.658 1.939 1.00 2.20 H new ATOM 1560 N GLN A 104 3.600 5.309 7.178 1.00 0.42 N ATOM 1561 CA GLN A 104 3.349 6.745 7.112 1.00 0.43 C ATOM 1562 C GLN A 104 4.655 7.471 6.805 1.00 0.46 C ATOM 1563 O GLN A 104 4.646 8.333 5.940 1.00 0.57 O ATOM 1564 CB GLN A 104 2.720 7.241 8.421 1.00 0.50 C ATOM 1565 CG GLN A 104 2.013 8.583 8.201 1.00 0.67 C ATOM 1566 CD GLN A 104 1.775 9.319 9.514 1.00 1.20 C ATOM 1567 OE1 GLN A 104 1.052 8.850 10.388 1.00 2.08 O ATOM 1568 NE2 GLN A 104 2.370 10.497 9.657 1.00 1.87 N ATOM 0 H GLN A 104 3.272 4.884 8.045 1.00 0.42 H new ATOM 0 HA GLN A 104 2.639 6.957 6.312 1.00 0.43 H new ATOM 0 HB2 GLN A 104 2.007 6.504 8.791 1.00 0.50 H new ATOM 0 HB3 GLN A 104 3.491 7.350 9.184 1.00 0.50 H new ATOM 0 HG2 GLN A 104 2.614 9.206 7.539 1.00 0.67 H new ATOM 0 HG3 GLN A 104 1.059 8.414 7.701 1.00 0.67 H new ATOM 0 HE21 GLN A 104 2.965 10.861 8.913 1.00 1.87 H new ATOM 0 HE22 GLN A 104 2.232 11.038 10.511 1.00 1.87 H new ATOM 1577 N GLU A 105 5.768 7.116 7.454 1.00 0.45 N ATOM 1578 CA GLU A 105 7.078 7.664 7.127 1.00 0.51 C ATOM 1579 C GLU A 105 7.347 7.545 5.625 1.00 0.52 C ATOM 1580 O GLU A 105 7.524 8.554 4.940 1.00 0.57 O ATOM 1581 CB GLU A 105 8.180 6.952 7.932 1.00 0.53 C ATOM 1582 CG GLU A 105 8.512 7.669 9.250 1.00 0.78 C ATOM 1583 CD GLU A 105 7.370 7.657 10.259 1.00 2.70 C ATOM 1584 OE1 GLU A 105 6.477 8.520 10.122 1.00 3.77 O ATOM 1585 OE2 GLU A 105 7.434 6.803 11.171 1.00 3.98 O ATOM 0 H GLU A 105 5.781 6.441 8.219 1.00 0.45 H new ATOM 0 HA GLU A 105 7.086 8.720 7.397 1.00 0.51 H new ATOM 0 HB2 GLU A 105 7.864 5.932 8.148 1.00 0.53 H new ATOM 0 HB3 GLU A 105 9.082 6.884 7.323 1.00 0.53 H new ATOM 0 HG2 GLU A 105 9.387 7.198 9.699 1.00 0.78 H new ATOM 0 HG3 GLU A 105 8.782 8.702 9.033 1.00 0.78 H new ATOM 1592 N MET A 106 7.398 6.313 5.108 1.00 0.54 N ATOM 1593 CA MET A 106 7.784 6.104 3.718 1.00 0.68 C ATOM 1594 C MET A 106 6.820 6.828 2.767 1.00 0.70 C ATOM 1595 O MET A 106 7.249 7.478 1.817 1.00 0.79 O ATOM 1596 CB MET A 106 7.911 4.607 3.400 1.00 0.83 C ATOM 1597 CG MET A 106 9.225 4.237 2.688 1.00 1.49 C ATOM 1598 SD MET A 106 9.643 5.033 1.108 1.00 2.59 S ATOM 1599 CE MET A 106 10.799 6.327 1.623 1.00 3.17 C ATOM 0 H MET A 106 7.180 5.461 5.625 1.00 0.54 H new ATOM 0 HA MET A 106 8.770 6.542 3.563 1.00 0.68 H new ATOM 0 HB2 MET A 106 7.838 4.040 4.328 1.00 0.83 H new ATOM 0 HB3 MET A 106 7.071 4.304 2.775 1.00 0.83 H new ATOM 0 HG2 MET A 106 10.041 4.440 3.382 1.00 1.49 H new ATOM 0 HG3 MET A 106 9.212 3.160 2.518 1.00 1.49 H new ATOM 0 HE1 MET A 106 10.410 7.301 1.327 1.00 3.17 H new ATOM 0 HE2 MET A 106 10.919 6.298 2.706 1.00 3.17 H new ATOM 0 HE3 MET A 106 11.765 6.162 1.147 1.00 3.17 H new ATOM 1609 N VAL A 107 5.519 6.748 3.049 1.00 0.69 N ATOM 1610 CA VAL A 107 4.477 7.439 2.301 1.00 0.75 C ATOM 1611 C VAL A 107 4.694 8.957 2.316 1.00 0.93 C ATOM 1612 O VAL A 107 4.576 9.613 1.282 1.00 1.28 O ATOM 1613 CB VAL A 107 3.107 7.090 2.914 1.00 0.75 C ATOM 1614 CG1 VAL A 107 2.007 7.963 2.312 1.00 0.83 C ATOM 1615 CG2 VAL A 107 2.727 5.626 2.673 1.00 0.69 C ATOM 0 H VAL A 107 5.156 6.188 3.821 1.00 0.69 H new ATOM 0 HA VAL A 107 4.514 7.113 1.262 1.00 0.75 H new ATOM 0 HB VAL A 107 3.196 7.268 3.986 1.00 0.75 H new ATOM 0 HG11 VAL A 107 1.048 7.700 2.759 1.00 0.83 H new ATOM 0 HG12 VAL A 107 2.225 9.012 2.512 1.00 0.83 H new ATOM 0 HG13 VAL A 107 1.962 7.801 1.235 1.00 0.83 H new ATOM 0 HG21 VAL A 107 1.755 5.424 3.122 1.00 0.69 H new ATOM 0 HG22 VAL A 107 2.679 5.434 1.601 1.00 0.69 H new ATOM 0 HG23 VAL A 107 3.477 4.976 3.124 1.00 0.69 H new ATOM 1625 N HIS A 108 4.934 9.506 3.509 1.00 0.79 N ATOM 1626 CA HIS A 108 4.980 10.933 3.787 1.00 0.85 C ATOM 1627 C HIS A 108 6.256 11.561 3.209 1.00 1.07 C ATOM 1628 O HIS A 108 6.349 12.785 3.120 1.00 1.24 O ATOM 1629 CB HIS A 108 4.894 11.158 5.305 1.00 0.97 C ATOM 1630 CG HIS A 108 4.947 12.599 5.745 1.00 1.27 C ATOM 1631 ND1 HIS A 108 6.028 13.220 6.327 1.00 2.44 N ATOM 1632 CD2 HIS A 108 3.924 13.508 5.693 1.00 2.16 C ATOM 1633 CE1 HIS A 108 5.659 14.479 6.620 1.00 2.17 C ATOM 1634 NE2 HIS A 108 4.382 14.699 6.263 1.00 1.96 N ATOM 0 H HIS A 108 5.108 8.939 4.339 1.00 0.79 H new ATOM 0 HA HIS A 108 4.131 11.419 3.307 1.00 0.85 H new ATOM 0 HB2 HIS A 108 3.966 10.718 5.669 1.00 0.97 H new ATOM 0 HB3 HIS A 108 5.712 10.619 5.783 1.00 0.97 H new ATOM 0 HD2 HIS A 108 2.939 13.335 5.284 1.00 2.16 H new ATOM 0 HE1 HIS A 108 6.302 15.215 7.080 1.00 2.17 H new ATOM 0 HE2 HIS A 108 3.853 15.563 6.384 1.00 1.96 H new ATOM 1642 N SER A 109 7.251 10.721 2.910 1.00 1.21 N ATOM 1643 CA SER A 109 8.533 11.120 2.359 1.00 1.47 C ATOM 1644 C SER A 109 8.420 11.825 1.001 1.00 1.93 C ATOM 1645 O SER A 109 9.505 12.239 0.527 1.00 2.58 O ATOM 1646 CB SER A 109 9.417 9.878 2.201 1.00 1.54 C ATOM 1647 OG SER A 109 10.720 10.273 1.815 1.00 1.93 O ATOM 1648 OXT SER A 109 7.311 11.869 0.427 1.00 2.26 O ATOM 0 H SER A 109 7.176 9.714 3.052 1.00 1.21 H new ATOM 0 HA SER A 109 8.968 11.836 3.056 1.00 1.47 H new ATOM 0 HB2 SER A 109 9.456 9.324 3.139 1.00 1.54 H new ATOM 0 HB3 SER A 109 8.992 9.208 1.453 1.00 1.54 H new ATOM 0 HG SER A 109 10.666 11.074 1.253 1.00 1.93 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 10.119 -2.955 9.916 1.00 0.57 CA HETATM 1656 CA CA A 111 -3.001 -5.706 10.588 1.00 1.58 CA