USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 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 61 THR OG1 : rot 78:sc= -0.0998 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -3.4! C(o=-3.5!,f=-3.3!) USER MOD Set 2.1: A 71 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Set 2.2: A 75 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Set 2.3: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.509 USER MOD Set 3.2: A 9 THR OG1 : rot 94:sc= 0.55 USER MOD Set 4.1: A 1 MET N :NH3+ -116:sc= 0.185 (180deg=0) USER MOD Set 4.2: A 12 SER OG : rot 180:sc= 0.181 USER MOD Single : A 1 MET CE :methyl 139:sc= -3.5! (180deg=-4.03!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 54:sc= 0.222 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 0.361 (180deg=0.244) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc=-0.00199 (180deg=-0.659) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 0.737 (180deg=-1.36!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.731 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.504 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 57 SER OG : rot 106:sc= 0.713 USER MOD Single : A 62 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.12) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.094) USER MOD Single : A 82 SER OG : rot 67:sc= 0.699 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.274 -11.396 -7.782 1.00 0.84 N ATOM 2 CA MET A 1 -15.617 -11.035 -9.074 1.00 0.74 C ATOM 3 C MET A 1 -16.473 -10.002 -9.821 1.00 0.74 C ATOM 4 O MET A 1 -17.569 -10.298 -10.270 1.00 1.06 O ATOM 5 CB MET A 1 -15.451 -12.294 -9.938 1.00 0.96 C ATOM 6 CG MET A 1 -14.273 -12.112 -10.899 1.00 1.17 C ATOM 7 SD MET A 1 -12.725 -12.511 -10.046 1.00 1.04 S ATOM 8 CE MET A 1 -12.195 -10.812 -9.727 1.00 1.64 C ATOM 0 H1 MET A 1 -15.670 -11.098 -6.990 1.00 0.84 H new ATOM 0 H2 MET A 1 -17.194 -10.916 -7.715 1.00 0.84 H new ATOM 0 H3 MET A 1 -16.416 -12.425 -7.741 1.00 0.84 H new ATOM 0 HA MET A 1 -14.636 -10.606 -8.871 1.00 0.74 H new ATOM 0 HB2 MET A 1 -15.282 -13.163 -9.302 1.00 0.96 H new ATOM 0 HB3 MET A 1 -16.365 -12.483 -10.501 1.00 0.96 H new ATOM 0 HG2 MET A 1 -14.397 -12.757 -11.769 1.00 1.17 H new ATOM 0 HG3 MET A 1 -14.244 -11.086 -11.265 1.00 1.17 H new ATOM 0 HE1 MET A 1 -11.776 -10.744 -8.723 1.00 1.64 H new ATOM 0 HE2 MET A 1 -11.438 -10.524 -10.456 1.00 1.64 H new ATOM 0 HE3 MET A 1 -13.051 -10.142 -9.809 1.00 1.64 H new ATOM 20 N SER A 2 -15.977 -8.793 -9.950 1.00 0.57 N ATOM 21 CA SER A 2 -16.744 -7.723 -10.662 1.00 0.57 C ATOM 22 C SER A 2 -15.864 -7.102 -11.755 1.00 0.60 C ATOM 23 O SER A 2 -16.233 -7.077 -12.914 1.00 0.72 O ATOM 24 CB SER A 2 -17.166 -6.644 -9.662 1.00 0.63 C ATOM 25 OG SER A 2 -18.563 -6.408 -9.784 1.00 0.72 O ATOM 0 H SER A 2 -15.068 -8.501 -9.590 1.00 0.57 H new ATOM 0 HA SER A 2 -17.633 -8.156 -11.120 1.00 0.57 H new ATOM 0 HB2 SER A 2 -16.927 -6.960 -8.647 1.00 0.63 H new ATOM 0 HB3 SER A 2 -16.613 -5.723 -9.848 1.00 0.63 H new ATOM 0 HG SER A 2 -18.835 -5.718 -9.143 1.00 0.72 H new ATOM 31 N GLY A 3 -14.702 -6.606 -11.391 1.00 0.58 N ATOM 32 CA GLY A 3 -13.789 -5.991 -12.402 1.00 0.65 C ATOM 33 C GLY A 3 -12.733 -7.016 -12.828 1.00 0.66 C ATOM 34 O GLY A 3 -11.566 -6.878 -12.514 1.00 0.74 O ATOM 0 H GLY A 3 -14.349 -6.602 -10.434 1.00 0.58 H new ATOM 0 HA2 GLY A 3 -14.360 -5.660 -13.269 1.00 0.65 H new ATOM 0 HA3 GLY A 3 -13.306 -5.109 -11.982 1.00 0.65 H new ATOM 38 N GLY A 4 -13.138 -8.044 -13.541 1.00 0.67 N ATOM 39 CA GLY A 4 -12.162 -9.085 -13.991 1.00 0.74 C ATOM 40 C GLY A 4 -12.848 -10.076 -14.939 1.00 0.77 C ATOM 41 O GLY A 4 -12.660 -10.023 -16.141 1.00 0.95 O ATOM 0 H GLY A 4 -14.103 -8.205 -13.829 1.00 0.67 H new ATOM 0 HA2 GLY A 4 -11.320 -8.611 -14.495 1.00 0.74 H new ATOM 0 HA3 GLY A 4 -11.760 -9.615 -13.128 1.00 0.74 H new ATOM 45 N THR A 5 -13.636 -10.983 -14.403 1.00 0.84 N ATOM 46 CA THR A 5 -14.335 -11.989 -15.265 1.00 0.98 C ATOM 47 C THR A 5 -15.825 -11.632 -15.373 1.00 0.92 C ATOM 48 O THR A 5 -16.316 -11.330 -16.446 1.00 1.01 O ATOM 49 CB THR A 5 -14.181 -13.393 -14.654 1.00 1.18 C ATOM 50 OG1 THR A 5 -12.804 -13.655 -14.397 1.00 1.33 O ATOM 51 CG2 THR A 5 -14.727 -14.446 -15.625 1.00 1.39 C ATOM 0 H THR A 5 -13.824 -11.068 -13.404 1.00 0.84 H new ATOM 0 HA THR A 5 -13.890 -11.980 -16.260 1.00 0.98 H new ATOM 0 HB THR A 5 -14.741 -13.439 -13.720 1.00 1.18 H new ATOM 0 HG1 THR A 5 -12.708 -14.549 -14.006 1.00 1.33 H new ATOM 0 HG21 THR A 5 -14.615 -15.438 -15.187 1.00 1.39 H new ATOM 0 HG22 THR A 5 -15.782 -14.251 -15.817 1.00 1.39 H new ATOM 0 HG23 THR A 5 -14.173 -14.399 -16.562 1.00 1.39 H new ATOM 59 N ALA A 6 -16.545 -11.671 -14.272 1.00 0.89 N ATOM 60 CA ALA A 6 -18.004 -11.340 -14.306 1.00 0.94 C ATOM 61 C ALA A 6 -18.198 -9.830 -14.123 1.00 0.85 C ATOM 62 O ALA A 6 -17.960 -9.288 -13.058 1.00 0.90 O ATOM 63 CB ALA A 6 -18.728 -12.095 -13.185 1.00 1.06 C ATOM 0 H ALA A 6 -16.181 -11.919 -13.352 1.00 0.89 H new ATOM 0 HA ALA A 6 -18.419 -11.639 -15.269 1.00 0.94 H new ATOM 0 HB1 ALA A 6 -19.791 -11.853 -13.211 1.00 1.06 H new ATOM 0 HB2 ALA A 6 -18.597 -13.168 -13.325 1.00 1.06 H new ATOM 0 HB3 ALA A 6 -18.312 -11.801 -12.221 1.00 1.06 H new ATOM 69 N ALA A 7 -18.635 -9.152 -15.160 1.00 0.93 N ATOM 70 CA ALA A 7 -18.855 -7.675 -15.070 1.00 0.98 C ATOM 71 C ALA A 7 -20.208 -7.395 -14.405 1.00 0.92 C ATOM 72 O ALA A 7 -20.309 -6.558 -13.524 1.00 0.93 O ATOM 73 CB ALA A 7 -18.843 -7.069 -16.477 1.00 1.22 C ATOM 0 H ALA A 7 -18.849 -9.563 -16.069 1.00 0.93 H new ATOM 0 HA ALA A 7 -18.059 -7.228 -14.474 1.00 0.98 H new ATOM 0 HB1 ALA A 7 -19.003 -5.993 -16.411 1.00 1.22 H new ATOM 0 HB2 ALA A 7 -17.880 -7.264 -16.949 1.00 1.22 H new ATOM 0 HB3 ALA A 7 -19.637 -7.518 -17.073 1.00 1.22 H new ATOM 79 N THR A 8 -21.245 -8.088 -14.821 1.00 0.98 N ATOM 80 CA THR A 8 -22.598 -7.869 -14.218 1.00 1.00 C ATOM 81 C THR A 8 -22.694 -8.628 -12.887 1.00 0.86 C ATOM 82 O THR A 8 -23.003 -9.808 -12.850 1.00 0.98 O ATOM 83 CB THR A 8 -23.687 -8.367 -15.186 1.00 1.26 C ATOM 84 OG1 THR A 8 -23.332 -9.647 -15.696 1.00 1.33 O ATOM 85 CG2 THR A 8 -23.838 -7.380 -16.347 1.00 1.48 C ATOM 0 H THR A 8 -21.210 -8.797 -15.554 1.00 0.98 H new ATOM 0 HA THR A 8 -22.746 -6.804 -14.036 1.00 1.00 H new ATOM 0 HB THR A 8 -24.632 -8.442 -14.649 1.00 1.26 H new ATOM 0 HG1 THR A 8 -23.149 -10.257 -14.951 1.00 1.33 H new ATOM 0 HG21 THR A 8 -24.610 -7.736 -17.029 1.00 1.48 H new ATOM 0 HG22 THR A 8 -24.121 -6.402 -15.958 1.00 1.48 H new ATOM 0 HG23 THR A 8 -22.891 -7.298 -16.881 1.00 1.48 H new ATOM 93 N THR A 9 -22.426 -7.954 -11.793 1.00 0.72 N ATOM 94 CA THR A 9 -22.495 -8.614 -10.449 1.00 0.66 C ATOM 95 C THR A 9 -22.875 -7.573 -9.391 1.00 0.72 C ATOM 96 O THR A 9 -22.297 -6.501 -9.323 1.00 1.00 O ATOM 97 CB THR A 9 -21.138 -9.243 -10.081 1.00 0.61 C ATOM 98 OG1 THR A 9 -20.099 -8.682 -10.877 1.00 0.94 O ATOM 99 CG2 THR A 9 -21.198 -10.754 -10.309 1.00 0.93 C ATOM 0 H THR A 9 -22.161 -6.969 -11.773 1.00 0.72 H new ATOM 0 HA THR A 9 -23.247 -9.402 -10.485 1.00 0.66 H new ATOM 0 HB THR A 9 -20.927 -9.037 -9.032 1.00 0.61 H new ATOM 0 HG1 THR A 9 -19.690 -7.930 -10.399 1.00 0.94 H new ATOM 0 HG21 THR A 9 -20.238 -11.200 -10.049 1.00 0.93 H new ATOM 0 HG22 THR A 9 -21.980 -11.186 -9.684 1.00 0.93 H new ATOM 0 HG23 THR A 9 -21.419 -10.955 -11.357 1.00 0.93 H new ATOM 107 N ALA A 10 -23.847 -7.886 -8.565 1.00 0.78 N ATOM 108 CA ALA A 10 -24.284 -6.929 -7.505 1.00 0.89 C ATOM 109 C ALA A 10 -23.475 -7.175 -6.224 1.00 0.74 C ATOM 110 O ALA A 10 -23.647 -8.178 -5.553 1.00 0.92 O ATOM 111 CB ALA A 10 -25.778 -7.129 -7.224 1.00 1.19 C ATOM 0 H ALA A 10 -24.357 -8.769 -8.582 1.00 0.78 H new ATOM 0 HA ALA A 10 -24.114 -5.907 -7.843 1.00 0.89 H new ATOM 0 HB1 ALA A 10 -26.099 -6.431 -6.450 1.00 1.19 H new ATOM 0 HB2 ALA A 10 -26.347 -6.947 -8.136 1.00 1.19 H new ATOM 0 HB3 ALA A 10 -25.951 -8.151 -6.886 1.00 1.19 H new ATOM 117 N GLY A 11 -22.592 -6.261 -5.886 1.00 0.70 N ATOM 118 CA GLY A 11 -21.761 -6.422 -4.653 1.00 0.79 C ATOM 119 C GLY A 11 -20.667 -7.468 -4.896 1.00 0.69 C ATOM 120 O GLY A 11 -20.718 -8.561 -4.361 1.00 0.98 O ATOM 0 H GLY A 11 -22.413 -5.408 -6.416 1.00 0.70 H new ATOM 0 HA2 GLY A 11 -21.310 -5.468 -4.380 1.00 0.79 H new ATOM 0 HA3 GLY A 11 -22.390 -6.728 -3.817 1.00 0.79 H new ATOM 124 N SER A 12 -19.680 -7.137 -5.696 1.00 0.54 N ATOM 125 CA SER A 12 -18.574 -8.106 -5.978 1.00 0.53 C ATOM 126 C SER A 12 -17.225 -7.374 -5.942 1.00 0.49 C ATOM 127 O SER A 12 -17.112 -6.235 -6.364 1.00 0.60 O ATOM 128 CB SER A 12 -18.787 -8.740 -7.356 1.00 0.59 C ATOM 129 OG SER A 12 -19.133 -10.109 -7.192 1.00 0.95 O ATOM 0 H SER A 12 -19.593 -6.236 -6.166 1.00 0.54 H new ATOM 0 HA SER A 12 -18.575 -8.889 -5.220 1.00 0.53 H new ATOM 0 HB2 SER A 12 -19.577 -8.215 -7.893 1.00 0.59 H new ATOM 0 HB3 SER A 12 -17.881 -8.651 -7.955 1.00 0.59 H new ATOM 0 HG SER A 12 -19.272 -10.519 -8.071 1.00 0.95 H new ATOM 135 N LYS A 13 -16.205 -8.025 -5.433 1.00 0.45 N ATOM 136 CA LYS A 13 -14.853 -7.384 -5.348 1.00 0.45 C ATOM 137 C LYS A 13 -13.832 -8.192 -6.165 1.00 0.44 C ATOM 138 O LYS A 13 -14.114 -9.283 -6.630 1.00 0.47 O ATOM 139 CB LYS A 13 -14.405 -7.343 -3.881 1.00 0.49 C ATOM 140 CG LYS A 13 -15.183 -6.260 -3.126 1.00 0.56 C ATOM 141 CD LYS A 13 -16.073 -6.902 -2.055 1.00 0.68 C ATOM 142 CE LYS A 13 -17.222 -5.949 -1.708 1.00 1.14 C ATOM 143 NZ LYS A 13 -17.406 -5.897 -0.230 1.00 2.02 N ATOM 0 H LYS A 13 -16.251 -8.977 -5.071 1.00 0.45 H new ATOM 0 HA LYS A 13 -14.912 -6.372 -5.750 1.00 0.45 H new ATOM 0 HB2 LYS A 13 -14.571 -8.314 -3.414 1.00 0.49 H new ATOM 0 HB3 LYS A 13 -13.335 -7.141 -3.824 1.00 0.49 H new ATOM 0 HG2 LYS A 13 -14.489 -5.560 -2.661 1.00 0.56 H new ATOM 0 HG3 LYS A 13 -15.795 -5.688 -3.823 1.00 0.56 H new ATOM 0 HD2 LYS A 13 -16.470 -7.850 -2.417 1.00 0.68 H new ATOM 0 HD3 LYS A 13 -15.486 -7.122 -1.163 1.00 0.68 H new ATOM 0 HE2 LYS A 13 -17.008 -4.952 -2.092 1.00 1.14 H new ATOM 0 HE3 LYS A 13 -18.142 -6.284 -2.187 1.00 1.14 H new ATOM 0 HZ1 LYS A 13 -18.186 -5.249 0.000 1.00 2.02 H new ATOM 0 HZ2 LYS A 13 -17.629 -6.848 0.126 1.00 2.02 H new ATOM 0 HZ3 LYS A 13 -16.531 -5.557 0.217 1.00 2.02 H new ATOM 157 N VAL A 14 -12.642 -7.661 -6.327 1.00 0.43 N ATOM 158 CA VAL A 14 -11.579 -8.384 -7.097 1.00 0.44 C ATOM 159 C VAL A 14 -10.565 -8.987 -6.113 1.00 0.46 C ATOM 160 O VAL A 14 -10.086 -8.320 -5.212 1.00 0.51 O ATOM 161 CB VAL A 14 -10.870 -7.415 -8.061 1.00 0.45 C ATOM 162 CG1 VAL A 14 -11.816 -7.060 -9.212 1.00 0.49 C ATOM 163 CG2 VAL A 14 -10.470 -6.130 -7.326 1.00 0.53 C ATOM 0 H VAL A 14 -12.361 -6.753 -5.957 1.00 0.43 H new ATOM 0 HA VAL A 14 -12.035 -9.182 -7.683 1.00 0.44 H new ATOM 0 HB VAL A 14 -9.973 -7.898 -8.449 1.00 0.45 H new ATOM 0 HG11 VAL A 14 -11.316 -6.374 -9.896 1.00 0.49 H new ATOM 0 HG12 VAL A 14 -12.094 -7.968 -9.748 1.00 0.49 H new ATOM 0 HG13 VAL A 14 -12.712 -6.585 -8.813 1.00 0.49 H new ATOM 0 HG21 VAL A 14 -9.970 -5.455 -8.020 1.00 0.53 H new ATOM 0 HG22 VAL A 14 -11.362 -5.646 -6.928 1.00 0.53 H new ATOM 0 HG23 VAL A 14 -9.794 -6.375 -6.507 1.00 0.53 H new ATOM 173 N THR A 15 -10.247 -10.251 -6.277 1.00 0.47 N ATOM 174 CA THR A 15 -9.275 -10.920 -5.352 1.00 0.51 C ATOM 175 C THR A 15 -7.883 -10.948 -5.990 1.00 0.45 C ATOM 176 O THR A 15 -7.745 -11.033 -7.197 1.00 0.51 O ATOM 177 CB THR A 15 -9.735 -12.358 -5.073 1.00 0.63 C ATOM 178 OG1 THR A 15 -9.974 -13.032 -6.304 1.00 0.70 O ATOM 179 CG2 THR A 15 -11.021 -12.339 -4.243 1.00 0.73 C ATOM 0 H THR A 15 -10.620 -10.849 -7.014 1.00 0.47 H new ATOM 0 HA THR A 15 -9.232 -10.362 -4.417 1.00 0.51 H new ATOM 0 HB THR A 15 -8.956 -12.881 -4.519 1.00 0.63 H new ATOM 0 HG1 THR A 15 -10.266 -13.950 -6.123 1.00 0.70 H new ATOM 0 HG21 THR A 15 -11.343 -13.362 -4.048 1.00 0.73 H new ATOM 0 HG22 THR A 15 -10.836 -11.830 -3.297 1.00 0.73 H new ATOM 0 HG23 THR A 15 -11.801 -11.812 -4.792 1.00 0.73 H new ATOM 187 N PHE A 16 -6.849 -10.879 -5.184 1.00 0.47 N ATOM 188 CA PHE A 16 -5.460 -10.903 -5.739 1.00 0.44 C ATOM 189 C PHE A 16 -4.612 -11.931 -4.981 1.00 0.46 C ATOM 190 O PHE A 16 -4.697 -12.058 -3.773 1.00 0.60 O ATOM 191 CB PHE A 16 -4.823 -9.517 -5.600 1.00 0.45 C ATOM 192 CG PHE A 16 -5.625 -8.503 -6.388 1.00 0.48 C ATOM 193 CD1 PHE A 16 -5.579 -8.508 -7.789 1.00 0.54 C ATOM 194 CD2 PHE A 16 -6.414 -7.559 -5.718 1.00 0.57 C ATOM 195 CE1 PHE A 16 -6.323 -7.571 -8.518 1.00 0.64 C ATOM 196 CE2 PHE A 16 -7.156 -6.624 -6.448 1.00 0.66 C ATOM 197 CZ PHE A 16 -7.110 -6.629 -7.846 1.00 0.67 C ATOM 0 H PHE A 16 -6.908 -10.807 -4.168 1.00 0.47 H new ATOM 0 HA PHE A 16 -5.505 -11.179 -6.793 1.00 0.44 H new ATOM 0 HB2 PHE A 16 -4.785 -9.228 -4.550 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -3.795 -9.541 -5.961 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -4.970 -9.234 -8.307 1.00 0.54 H new ATOM 0 HD2 PHE A 16 -6.450 -7.553 -4.639 1.00 0.57 H new ATOM 0 HE1 PHE A 16 -6.289 -7.576 -9.597 1.00 0.64 H new ATOM 0 HE2 PHE A 16 -7.765 -5.897 -5.931 1.00 0.66 H new ATOM 0 HZ PHE A 16 -7.682 -5.905 -8.407 1.00 0.67 H new ATOM 207 N LYS A 17 -3.791 -12.659 -5.693 1.00 0.44 N ATOM 208 CA LYS A 17 -2.914 -13.684 -5.048 1.00 0.47 C ATOM 209 C LYS A 17 -1.448 -13.236 -5.175 1.00 0.43 C ATOM 210 O LYS A 17 -0.856 -13.312 -6.238 1.00 0.52 O ATOM 211 CB LYS A 17 -3.114 -15.039 -5.749 1.00 0.60 C ATOM 212 CG LYS A 17 -2.886 -16.181 -4.753 1.00 0.87 C ATOM 213 CD LYS A 17 -2.506 -17.460 -5.509 1.00 1.47 C ATOM 214 CE LYS A 17 -1.017 -17.765 -5.290 1.00 1.70 C ATOM 215 NZ LYS A 17 -0.570 -18.826 -6.243 1.00 2.40 N ATOM 0 H LYS A 17 -3.689 -12.587 -6.705 1.00 0.44 H new ATOM 0 HA LYS A 17 -3.171 -13.788 -3.994 1.00 0.47 H new ATOM 0 HB2 LYS A 17 -4.121 -15.100 -6.161 1.00 0.60 H new ATOM 0 HB3 LYS A 17 -2.421 -15.131 -6.586 1.00 0.60 H new ATOM 0 HG2 LYS A 17 -2.095 -15.913 -4.053 1.00 0.87 H new ATOM 0 HG3 LYS A 17 -3.789 -16.349 -4.165 1.00 0.87 H new ATOM 0 HD2 LYS A 17 -3.114 -18.295 -5.160 1.00 1.47 H new ATOM 0 HD3 LYS A 17 -2.710 -17.340 -6.573 1.00 1.47 H new ATOM 0 HE2 LYS A 17 -0.426 -16.861 -5.436 1.00 1.70 H new ATOM 0 HE3 LYS A 17 -0.851 -18.092 -4.264 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 0.330 -19.231 -5.914 1.00 2.40 H new ATOM 0 HZ2 LYS A 17 -1.290 -19.575 -6.291 1.00 2.40 H new ATOM 0 HZ3 LYS A 17 -0.438 -18.411 -7.187 1.00 2.40 H new ATOM 229 N ILE A 18 -0.867 -12.754 -4.100 1.00 0.39 N ATOM 230 CA ILE A 18 0.553 -12.285 -4.153 1.00 0.40 C ATOM 231 C ILE A 18 1.452 -13.239 -3.355 1.00 0.35 C ATOM 232 O ILE A 18 1.194 -13.529 -2.198 1.00 0.39 O ATOM 233 CB ILE A 18 0.658 -10.870 -3.562 1.00 0.45 C ATOM 234 CG1 ILE A 18 -0.338 -9.937 -4.268 1.00 0.53 C ATOM 235 CG2 ILE A 18 2.079 -10.332 -3.760 1.00 0.55 C ATOM 236 CD1 ILE A 18 -1.523 -9.649 -3.341 1.00 0.61 C ATOM 0 H ILE A 18 -1.317 -12.666 -3.189 1.00 0.39 H new ATOM 0 HA ILE A 18 0.879 -12.269 -5.193 1.00 0.40 H new ATOM 0 HB ILE A 18 0.427 -10.911 -2.497 1.00 0.45 H new ATOM 0 HG12 ILE A 18 0.155 -9.005 -4.544 1.00 0.53 H new ATOM 0 HG13 ILE A 18 -0.690 -10.397 -5.191 1.00 0.53 H new ATOM 0 HG21 ILE A 18 2.150 -9.329 -3.340 1.00 0.55 H new ATOM 0 HG22 ILE A 18 2.790 -10.987 -3.256 1.00 0.55 H new ATOM 0 HG23 ILE A 18 2.310 -10.297 -4.825 1.00 0.55 H new ATOM 0 HD11 ILE A 18 -2.227 -8.987 -3.845 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -2.022 -10.584 -3.087 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -1.164 -9.171 -2.430 1.00 0.61 H new ATOM 248 N THR A 19 2.511 -13.719 -3.968 1.00 0.41 N ATOM 249 CA THR A 19 3.450 -14.649 -3.263 1.00 0.44 C ATOM 250 C THR A 19 4.838 -14.004 -3.202 1.00 0.41 C ATOM 251 O THR A 19 5.326 -13.474 -4.186 1.00 0.46 O ATOM 252 CB THR A 19 3.540 -15.978 -4.028 1.00 0.58 C ATOM 253 OG1 THR A 19 2.239 -16.408 -4.405 1.00 0.70 O ATOM 254 CG2 THR A 19 4.192 -17.042 -3.141 1.00 0.73 C ATOM 0 H THR A 19 2.765 -13.504 -4.932 1.00 0.41 H new ATOM 0 HA THR A 19 3.083 -14.841 -2.255 1.00 0.44 H new ATOM 0 HB THR A 19 4.144 -15.832 -4.923 1.00 0.58 H new ATOM 0 HG1 THR A 19 2.303 -17.255 -4.894 1.00 0.70 H new ATOM 0 HG21 THR A 19 4.254 -17.983 -3.687 1.00 0.73 H new ATOM 0 HG22 THR A 19 5.195 -16.718 -2.861 1.00 0.73 H new ATOM 0 HG23 THR A 19 3.592 -17.183 -2.242 1.00 0.73 H new ATOM 262 N LEU A 20 5.478 -14.043 -2.057 1.00 0.50 N ATOM 263 CA LEU A 20 6.835 -13.429 -1.929 1.00 0.55 C ATOM 264 C LEU A 20 7.866 -14.311 -2.643 1.00 0.55 C ATOM 265 O LEU A 20 8.116 -15.437 -2.246 1.00 0.67 O ATOM 266 CB LEU A 20 7.205 -13.296 -0.448 1.00 0.68 C ATOM 267 CG LEU A 20 8.245 -12.185 -0.274 1.00 0.68 C ATOM 268 CD1 LEU A 20 7.551 -10.820 -0.327 1.00 1.07 C ATOM 269 CD2 LEU A 20 8.939 -12.345 1.080 1.00 1.12 C ATOM 0 H LEU A 20 5.117 -14.474 -1.206 1.00 0.50 H new ATOM 0 HA LEU A 20 6.828 -12.439 -2.386 1.00 0.55 H new ATOM 0 HB2 LEU A 20 6.316 -13.070 0.140 1.00 0.68 H new ATOM 0 HB3 LEU A 20 7.602 -14.241 -0.076 1.00 0.68 H new ATOM 0 HG LEU A 20 8.982 -12.251 -1.074 1.00 0.68 H new ATOM 0 HD11 LEU A 20 8.292 -10.030 -0.203 1.00 1.07 H new ATOM 0 HD12 LEU A 20 7.053 -10.702 -1.289 1.00 1.07 H new ATOM 0 HD13 LEU A 20 6.814 -10.755 0.474 1.00 1.07 H new ATOM 0 HD21 LEU A 20 9.679 -11.555 1.205 1.00 1.12 H new ATOM 0 HD22 LEU A 20 8.199 -12.279 1.878 1.00 1.12 H new ATOM 0 HD23 LEU A 20 9.433 -13.316 1.123 1.00 1.12 H new ATOM 281 N THR A 21 8.466 -13.800 -3.695 1.00 0.57 N ATOM 282 CA THR A 21 9.488 -14.596 -4.450 1.00 0.64 C ATOM 283 C THR A 21 10.853 -14.501 -3.744 1.00 0.72 C ATOM 284 O THR A 21 11.690 -15.373 -3.891 1.00 0.80 O ATOM 285 CB THR A 21 9.598 -14.062 -5.888 1.00 0.72 C ATOM 286 OG1 THR A 21 10.481 -14.889 -6.636 1.00 0.84 O ATOM 287 CG2 THR A 21 10.128 -12.623 -5.884 1.00 0.79 C ATOM 0 H THR A 21 8.291 -12.865 -4.063 1.00 0.57 H new ATOM 0 HA THR A 21 9.181 -15.641 -4.480 1.00 0.64 H new ATOM 0 HB THR A 21 8.608 -14.073 -6.344 1.00 0.72 H new ATOM 0 HG1 THR A 21 10.550 -14.549 -7.553 1.00 0.84 H new ATOM 0 HG21 THR A 21 10.200 -12.259 -6.909 1.00 0.79 H new ATOM 0 HG22 THR A 21 9.447 -11.986 -5.320 1.00 0.79 H new ATOM 0 HG23 THR A 21 11.114 -12.600 -5.420 1.00 0.79 H new ATOM 295 N SER A 22 11.077 -13.454 -2.979 1.00 0.75 N ATOM 296 CA SER A 22 12.378 -13.303 -2.261 1.00 0.86 C ATOM 297 C SER A 22 12.470 -14.343 -1.137 1.00 0.78 C ATOM 298 O SER A 22 13.462 -15.040 -1.010 1.00 0.88 O ATOM 299 CB SER A 22 12.469 -11.894 -1.671 1.00 1.01 C ATOM 300 OG SER A 22 13.828 -11.476 -1.659 1.00 1.43 O ATOM 0 H SER A 22 10.410 -12.698 -2.824 1.00 0.75 H new ATOM 0 HA SER A 22 13.201 -13.458 -2.959 1.00 0.86 H new ATOM 0 HB2 SER A 22 11.869 -11.201 -2.261 1.00 1.01 H new ATOM 0 HB3 SER A 22 12.065 -11.884 -0.659 1.00 1.01 H new ATOM 0 HG SER A 22 13.911 -10.648 -1.142 1.00 1.43 H new ATOM 306 N ASP A 23 11.443 -14.453 -0.323 1.00 0.70 N ATOM 307 CA ASP A 23 11.461 -15.446 0.795 1.00 0.67 C ATOM 308 C ASP A 23 10.580 -16.652 0.429 1.00 0.53 C ATOM 309 O ASP A 23 9.393 -16.499 0.198 1.00 0.51 O ATOM 310 CB ASP A 23 10.923 -14.787 2.072 1.00 0.78 C ATOM 311 CG ASP A 23 11.338 -15.609 3.297 1.00 0.84 C ATOM 312 OD1 ASP A 23 12.476 -15.478 3.719 1.00 1.10 O ATOM 313 OD2 ASP A 23 10.510 -16.354 3.792 1.00 0.92 O ATOM 0 H ASP A 23 10.592 -13.894 -0.388 1.00 0.70 H new ATOM 0 HA ASP A 23 12.484 -15.784 0.963 1.00 0.67 H new ATOM 0 HB2 ASP A 23 11.308 -13.771 2.157 1.00 0.78 H new ATOM 0 HB3 ASP A 23 9.837 -14.713 2.024 1.00 0.78 H new ATOM 318 N PRO A 24 11.192 -17.816 0.389 1.00 0.60 N ATOM 319 CA PRO A 24 10.493 -19.075 0.057 1.00 0.61 C ATOM 320 C PRO A 24 9.664 -19.576 1.252 1.00 0.55 C ATOM 321 O PRO A 24 8.637 -20.206 1.076 1.00 0.62 O ATOM 322 CB PRO A 24 11.633 -20.043 -0.273 1.00 0.81 C ATOM 323 CG PRO A 24 12.899 -19.482 0.415 1.00 0.89 C ATOM 324 CD PRO A 24 12.634 -17.987 0.673 1.00 0.80 C ATOM 0 HA PRO A 24 9.784 -18.964 -0.764 1.00 0.61 H new ATOM 0 HB2 PRO A 24 11.407 -21.046 0.089 1.00 0.81 H new ATOM 0 HB3 PRO A 24 11.778 -20.118 -1.351 1.00 0.81 H new ATOM 0 HG2 PRO A 24 13.097 -20.007 1.349 1.00 0.89 H new ATOM 0 HG3 PRO A 24 13.776 -19.616 -0.218 1.00 0.89 H new ATOM 0 HD2 PRO A 24 12.872 -17.713 1.701 1.00 0.80 H new ATOM 0 HD3 PRO A 24 13.244 -17.357 0.025 1.00 0.80 H new ATOM 332 N LYS A 25 10.102 -19.296 2.462 1.00 0.58 N ATOM 333 CA LYS A 25 9.342 -19.745 3.672 1.00 0.65 C ATOM 334 C LYS A 25 7.956 -19.077 3.684 1.00 0.62 C ATOM 335 O LYS A 25 6.954 -19.722 3.938 1.00 0.73 O ATOM 336 CB LYS A 25 10.118 -19.354 4.939 1.00 0.83 C ATOM 337 CG LYS A 25 10.990 -20.529 5.403 1.00 1.04 C ATOM 338 CD LYS A 25 12.422 -20.037 5.663 1.00 1.11 C ATOM 339 CE LYS A 25 13.430 -21.027 5.067 1.00 1.52 C ATOM 340 NZ LYS A 25 14.139 -20.391 3.920 1.00 1.95 N ATOM 0 H LYS A 25 10.956 -18.774 2.660 1.00 0.58 H new ATOM 0 HA LYS A 25 9.220 -20.828 3.645 1.00 0.65 H new ATOM 0 HB2 LYS A 25 10.743 -18.483 4.739 1.00 0.83 H new ATOM 0 HB3 LYS A 25 9.422 -19.072 5.729 1.00 0.83 H new ATOM 0 HG2 LYS A 25 10.575 -20.967 6.311 1.00 1.04 H new ATOM 0 HG3 LYS A 25 10.996 -21.312 4.645 1.00 1.04 H new ATOM 0 HD2 LYS A 25 12.563 -19.051 5.221 1.00 1.11 H new ATOM 0 HD3 LYS A 25 12.591 -19.933 6.735 1.00 1.11 H new ATOM 0 HE2 LYS A 25 14.149 -21.332 5.828 1.00 1.52 H new ATOM 0 HE3 LYS A 25 12.916 -21.929 4.735 1.00 1.52 H new ATOM 0 HZ1 LYS A 25 14.423 -21.123 3.238 1.00 1.95 H new ATOM 0 HZ2 LYS A 25 13.505 -19.711 3.454 1.00 1.95 H new ATOM 0 HZ3 LYS A 25 14.985 -19.895 4.267 1.00 1.95 H new ATOM 354 N LEU A 26 7.894 -17.791 3.404 1.00 0.61 N ATOM 355 CA LEU A 26 6.578 -17.071 3.390 1.00 0.65 C ATOM 356 C LEU A 26 5.727 -17.572 2.209 1.00 0.61 C ATOM 357 O LEU A 26 6.150 -17.491 1.070 1.00 0.62 O ATOM 358 CB LEU A 26 6.822 -15.564 3.240 1.00 0.71 C ATOM 359 CG LEU A 26 7.012 -14.934 4.622 1.00 0.84 C ATOM 360 CD1 LEU A 26 8.077 -13.838 4.544 1.00 1.25 C ATOM 361 CD2 LEU A 26 5.689 -14.323 5.091 1.00 1.14 C ATOM 0 H LEU A 26 8.703 -17.209 3.184 1.00 0.61 H new ATOM 0 HA LEU A 26 6.050 -17.264 4.324 1.00 0.65 H new ATOM 0 HB2 LEU A 26 7.704 -15.388 2.625 1.00 0.71 H new ATOM 0 HB3 LEU A 26 5.979 -15.098 2.730 1.00 0.71 H new ATOM 0 HG LEU A 26 7.331 -15.701 5.328 1.00 0.84 H new ATOM 0 HD11 LEU A 26 8.211 -13.390 5.529 1.00 1.25 H new ATOM 0 HD12 LEU A 26 9.020 -14.270 4.210 1.00 1.25 H new ATOM 0 HD13 LEU A 26 7.759 -13.071 3.837 1.00 1.25 H new ATOM 0 HD21 LEU A 26 5.824 -13.874 6.075 1.00 1.14 H new ATOM 0 HD22 LEU A 26 5.371 -13.557 4.384 1.00 1.14 H new ATOM 0 HD23 LEU A 26 4.929 -15.102 5.149 1.00 1.14 H new ATOM 373 N PRO A 27 4.550 -18.082 2.521 1.00 0.71 N ATOM 374 CA PRO A 27 3.613 -18.614 1.507 1.00 0.80 C ATOM 375 C PRO A 27 2.851 -17.479 0.803 1.00 0.76 C ATOM 376 O PRO A 27 2.969 -16.319 1.160 1.00 0.82 O ATOM 377 CB PRO A 27 2.650 -19.477 2.328 1.00 1.01 C ATOM 378 CG PRO A 27 2.720 -18.950 3.780 1.00 1.04 C ATOM 379 CD PRO A 27 4.047 -18.178 3.909 1.00 0.86 C ATOM 0 HA PRO A 27 4.121 -19.167 0.717 1.00 0.80 H new ATOM 0 HB2 PRO A 27 1.635 -19.405 1.937 1.00 1.01 H new ATOM 0 HB3 PRO A 27 2.935 -20.528 2.282 1.00 1.01 H new ATOM 0 HG2 PRO A 27 1.872 -18.300 3.997 1.00 1.04 H new ATOM 0 HG3 PRO A 27 2.681 -19.774 4.493 1.00 1.04 H new ATOM 0 HD2 PRO A 27 3.892 -17.191 4.345 1.00 0.86 H new ATOM 0 HD3 PRO A 27 4.752 -18.704 4.552 1.00 0.86 H new ATOM 387 N PHE A 28 2.064 -17.817 -0.192 1.00 0.76 N ATOM 388 CA PHE A 28 1.275 -16.778 -0.929 1.00 0.75 C ATOM 389 C PHE A 28 0.132 -16.264 -0.039 1.00 0.70 C ATOM 390 O PHE A 28 -0.249 -16.902 0.928 1.00 0.78 O ATOM 391 CB PHE A 28 0.698 -17.387 -2.219 1.00 0.86 C ATOM 392 CG PHE A 28 -0.361 -18.418 -1.891 1.00 0.93 C ATOM 393 CD1 PHE A 28 -1.691 -18.021 -1.702 1.00 1.05 C ATOM 394 CD2 PHE A 28 -0.012 -19.770 -1.781 1.00 1.11 C ATOM 395 CE1 PHE A 28 -2.669 -18.974 -1.402 1.00 1.26 C ATOM 396 CE2 PHE A 28 -0.991 -20.723 -1.481 1.00 1.31 C ATOM 397 CZ PHE A 28 -2.320 -20.325 -1.292 1.00 1.35 C ATOM 0 H PHE A 28 1.934 -18.772 -0.526 1.00 0.76 H new ATOM 0 HA PHE A 28 1.929 -15.944 -1.186 1.00 0.75 H new ATOM 0 HB2 PHE A 28 0.268 -16.600 -2.839 1.00 0.86 H new ATOM 0 HB3 PHE A 28 1.497 -17.849 -2.799 1.00 0.86 H new ATOM 0 HD1 PHE A 28 -1.961 -16.979 -1.788 1.00 1.05 H new ATOM 0 HD2 PHE A 28 1.013 -20.077 -1.928 1.00 1.11 H new ATOM 0 HE1 PHE A 28 -3.694 -18.668 -1.255 1.00 1.26 H new ATOM 0 HE2 PHE A 28 -0.722 -21.765 -1.395 1.00 1.31 H new ATOM 0 HZ PHE A 28 -3.076 -21.061 -1.061 1.00 1.35 H new ATOM 407 N LYS A 29 -0.418 -15.117 -0.365 1.00 0.67 N ATOM 408 CA LYS A 29 -1.542 -14.554 0.450 1.00 0.69 C ATOM 409 C LYS A 29 -2.614 -13.979 -0.483 1.00 0.65 C ATOM 410 O LYS A 29 -2.311 -13.418 -1.522 1.00 0.67 O ATOM 411 CB LYS A 29 -1.007 -13.453 1.371 1.00 0.74 C ATOM 412 CG LYS A 29 -0.566 -14.071 2.701 1.00 0.90 C ATOM 413 CD LYS A 29 -0.279 -12.961 3.719 1.00 0.98 C ATOM 414 CE LYS A 29 1.184 -12.522 3.611 1.00 1.12 C ATOM 415 NZ LYS A 29 1.277 -11.317 2.742 1.00 2.24 N ATOM 0 H LYS A 29 -0.136 -14.546 -1.162 1.00 0.67 H new ATOM 0 HA LYS A 29 -1.983 -15.345 1.057 1.00 0.69 H new ATOM 0 HB2 LYS A 29 -0.167 -12.944 0.898 1.00 0.74 H new ATOM 0 HB3 LYS A 29 -1.778 -12.702 1.544 1.00 0.74 H new ATOM 0 HG2 LYS A 29 -1.344 -14.733 3.081 1.00 0.90 H new ATOM 0 HG3 LYS A 29 0.326 -14.680 2.552 1.00 0.90 H new ATOM 0 HD2 LYS A 29 -0.937 -12.111 3.539 1.00 0.98 H new ATOM 0 HD3 LYS A 29 -0.487 -13.318 4.728 1.00 0.98 H new ATOM 0 HE2 LYS A 29 1.583 -12.301 4.601 1.00 1.12 H new ATOM 0 HE3 LYS A 29 1.788 -13.330 3.197 1.00 1.12 H new ATOM 0 HZ1 LYS A 29 1.897 -11.520 1.932 1.00 2.24 H new ATOM 0 HZ2 LYS A 29 0.329 -11.064 2.397 1.00 2.24 H new ATOM 0 HZ3 LYS A 29 1.670 -10.524 3.289 1.00 2.24 H new ATOM 429 N VAL A 30 -3.868 -14.121 -0.118 1.00 0.68 N ATOM 430 CA VAL A 30 -4.976 -13.598 -0.977 1.00 0.67 C ATOM 431 C VAL A 30 -5.491 -12.266 -0.416 1.00 0.60 C ATOM 432 O VAL A 30 -5.819 -12.157 0.753 1.00 0.70 O ATOM 433 CB VAL A 30 -6.124 -14.616 -1.013 1.00 0.78 C ATOM 434 CG1 VAL A 30 -7.208 -14.143 -1.986 1.00 0.83 C ATOM 435 CG2 VAL A 30 -5.590 -15.976 -1.473 1.00 0.91 C ATOM 0 H VAL A 30 -4.171 -14.579 0.742 1.00 0.68 H new ATOM 0 HA VAL A 30 -4.598 -13.439 -1.987 1.00 0.67 H new ATOM 0 HB VAL A 30 -6.550 -14.708 -0.014 1.00 0.78 H new ATOM 0 HG11 VAL A 30 -8.020 -14.870 -2.007 1.00 0.83 H new ATOM 0 HG12 VAL A 30 -7.594 -13.177 -1.660 1.00 0.83 H new ATOM 0 HG13 VAL A 30 -6.783 -14.045 -2.985 1.00 0.83 H new ATOM 0 HG21 VAL A 30 -6.406 -16.698 -1.498 1.00 0.91 H new ATOM 0 HG22 VAL A 30 -5.160 -15.880 -2.470 1.00 0.91 H new ATOM 0 HG23 VAL A 30 -4.823 -16.320 -0.779 1.00 0.91 H new ATOM 445 N LEU A 31 -5.568 -11.258 -1.252 1.00 0.57 N ATOM 446 CA LEU A 31 -6.066 -9.924 -0.804 1.00 0.52 C ATOM 447 C LEU A 31 -7.416 -9.643 -1.477 1.00 0.51 C ATOM 448 O LEU A 31 -7.497 -9.483 -2.683 1.00 0.57 O ATOM 449 CB LEU A 31 -5.053 -8.844 -1.203 1.00 0.53 C ATOM 450 CG LEU A 31 -4.690 -7.997 0.020 1.00 0.60 C ATOM 451 CD1 LEU A 31 -3.195 -8.138 0.315 1.00 0.91 C ATOM 452 CD2 LEU A 31 -5.017 -6.529 -0.266 1.00 0.75 C ATOM 0 H LEU A 31 -5.303 -11.306 -2.236 1.00 0.57 H new ATOM 0 HA LEU A 31 -6.190 -9.917 0.279 1.00 0.52 H new ATOM 0 HB2 LEU A 31 -4.157 -9.308 -1.615 1.00 0.53 H new ATOM 0 HB3 LEU A 31 -5.472 -8.210 -1.985 1.00 0.53 H new ATOM 0 HG LEU A 31 -5.263 -8.338 0.882 1.00 0.60 H new ATOM 0 HD11 LEU A 31 -2.937 -7.535 1.186 1.00 0.91 H new ATOM 0 HD12 LEU A 31 -2.961 -9.183 0.516 1.00 0.91 H new ATOM 0 HD13 LEU A 31 -2.620 -7.796 -0.546 1.00 0.91 H new ATOM 0 HD21 LEU A 31 -4.760 -5.923 0.603 1.00 0.75 H new ATOM 0 HD22 LEU A 31 -4.443 -6.190 -1.128 1.00 0.75 H new ATOM 0 HD23 LEU A 31 -6.082 -6.428 -0.477 1.00 0.75 H new ATOM 464 N SER A 32 -8.478 -9.591 -0.706 1.00 0.52 N ATOM 465 CA SER A 32 -9.830 -9.329 -1.293 1.00 0.54 C ATOM 466 C SER A 32 -10.194 -7.850 -1.112 1.00 0.49 C ATOM 467 O SER A 32 -10.441 -7.391 -0.009 1.00 0.52 O ATOM 468 CB SER A 32 -10.874 -10.203 -0.590 1.00 0.64 C ATOM 469 OG SER A 32 -10.735 -11.547 -1.032 1.00 1.00 O ATOM 0 H SER A 32 -8.465 -9.719 0.306 1.00 0.52 H new ATOM 0 HA SER A 32 -9.813 -9.569 -2.356 1.00 0.54 H new ATOM 0 HB2 SER A 32 -10.743 -10.148 0.491 1.00 0.64 H new ATOM 0 HB3 SER A 32 -11.878 -9.838 -0.809 1.00 0.64 H new ATOM 0 HG SER A 32 -11.400 -12.109 -0.583 1.00 1.00 H new ATOM 475 N VAL A 33 -10.232 -7.105 -2.192 1.00 0.45 N ATOM 476 CA VAL A 33 -10.585 -5.650 -2.107 1.00 0.43 C ATOM 477 C VAL A 33 -11.477 -5.268 -3.298 1.00 0.41 C ATOM 478 O VAL A 33 -11.446 -5.919 -4.327 1.00 0.43 O ATOM 479 CB VAL A 33 -9.310 -4.791 -2.127 1.00 0.45 C ATOM 480 CG1 VAL A 33 -8.499 -5.036 -0.852 1.00 0.56 C ATOM 481 CG2 VAL A 33 -8.456 -5.145 -3.352 1.00 0.52 C ATOM 0 H VAL A 33 -10.033 -7.443 -3.133 1.00 0.45 H new ATOM 0 HA VAL A 33 -11.119 -5.470 -1.174 1.00 0.43 H new ATOM 0 HB VAL A 33 -9.594 -3.740 -2.180 1.00 0.45 H new ATOM 0 HG11 VAL A 33 -7.597 -4.425 -0.872 1.00 0.56 H new ATOM 0 HG12 VAL A 33 -9.099 -4.769 0.018 1.00 0.56 H new ATOM 0 HG13 VAL A 33 -8.223 -6.089 -0.793 1.00 0.56 H new ATOM 0 HG21 VAL A 33 -7.555 -4.531 -3.357 1.00 0.52 H new ATOM 0 HG22 VAL A 33 -8.177 -6.198 -3.309 1.00 0.52 H new ATOM 0 HG23 VAL A 33 -9.028 -4.958 -4.261 1.00 0.52 H new ATOM 491 N PRO A 34 -12.243 -4.213 -3.124 1.00 0.40 N ATOM 492 CA PRO A 34 -13.155 -3.709 -4.172 1.00 0.41 C ATOM 493 C PRO A 34 -12.371 -2.974 -5.268 1.00 0.39 C ATOM 494 O PRO A 34 -11.235 -2.576 -5.073 1.00 0.38 O ATOM 495 CB PRO A 34 -14.081 -2.752 -3.415 1.00 0.44 C ATOM 496 CG PRO A 34 -13.322 -2.332 -2.136 1.00 0.45 C ATOM 497 CD PRO A 34 -12.267 -3.424 -1.873 1.00 0.42 C ATOM 0 HA PRO A 34 -13.700 -4.503 -4.682 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -14.324 -1.882 -4.026 1.00 0.44 H new ATOM 0 HB3 PRO A 34 -15.023 -3.240 -3.165 1.00 0.44 H new ATOM 0 HG2 PRO A 34 -12.848 -1.359 -2.268 1.00 0.45 H new ATOM 0 HG3 PRO A 34 -14.005 -2.242 -1.292 1.00 0.45 H new ATOM 0 HD2 PRO A 34 -11.291 -2.991 -1.656 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -12.538 -4.042 -1.017 1.00 0.42 H new ATOM 505 N GLU A 35 -12.978 -2.792 -6.418 1.00 0.41 N ATOM 506 CA GLU A 35 -12.290 -2.085 -7.544 1.00 0.41 C ATOM 507 C GLU A 35 -11.918 -0.658 -7.116 1.00 0.40 C ATOM 508 O GLU A 35 -10.921 -0.116 -7.558 1.00 0.43 O ATOM 509 CB GLU A 35 -13.218 -2.030 -8.762 1.00 0.46 C ATOM 510 CG GLU A 35 -13.327 -3.424 -9.393 1.00 0.53 C ATOM 511 CD GLU A 35 -14.628 -4.099 -8.945 1.00 0.61 C ATOM 512 OE1 GLU A 35 -15.681 -3.679 -9.401 1.00 0.77 O ATOM 513 OE2 GLU A 35 -14.550 -5.028 -8.155 1.00 0.78 O ATOM 0 H GLU A 35 -13.926 -3.105 -6.625 1.00 0.41 H new ATOM 0 HA GLU A 35 -11.382 -2.629 -7.804 1.00 0.41 H new ATOM 0 HB2 GLU A 35 -14.205 -1.677 -8.463 1.00 0.46 H new ATOM 0 HB3 GLU A 35 -12.833 -1.319 -9.493 1.00 0.46 H new ATOM 0 HG2 GLU A 35 -13.304 -3.344 -10.480 1.00 0.53 H new ATOM 0 HG3 GLU A 35 -12.472 -4.033 -9.101 1.00 0.53 H new ATOM 520 N SER A 36 -12.709 -0.053 -6.253 1.00 0.41 N ATOM 521 CA SER A 36 -12.407 1.336 -5.782 1.00 0.43 C ATOM 522 C SER A 36 -11.030 1.365 -5.102 1.00 0.40 C ATOM 523 O SER A 36 -10.275 2.306 -5.265 1.00 0.45 O ATOM 524 CB SER A 36 -13.477 1.785 -4.783 1.00 0.49 C ATOM 525 OG SER A 36 -14.251 2.829 -5.358 1.00 1.02 O ATOM 0 H SER A 36 -13.553 -0.466 -5.856 1.00 0.41 H new ATOM 0 HA SER A 36 -12.403 2.011 -6.638 1.00 0.43 H new ATOM 0 HB2 SER A 36 -14.119 0.945 -4.519 1.00 0.49 H new ATOM 0 HB3 SER A 36 -13.008 2.130 -3.862 1.00 0.49 H new ATOM 0 HG SER A 36 -14.938 3.116 -4.720 1.00 1.02 H new ATOM 531 N THR A 37 -10.699 0.337 -4.349 1.00 0.38 N ATOM 532 CA THR A 37 -9.370 0.293 -3.660 1.00 0.39 C ATOM 533 C THR A 37 -8.255 0.231 -4.719 1.00 0.34 C ATOM 534 O THR A 37 -8.256 -0.650 -5.561 1.00 0.37 O ATOM 535 CB THR A 37 -9.299 -0.951 -2.759 1.00 0.43 C ATOM 536 OG1 THR A 37 -10.317 -0.876 -1.767 1.00 0.54 O ATOM 537 CG2 THR A 37 -7.927 -1.026 -2.078 1.00 0.60 C ATOM 0 H THR A 37 -11.296 -0.474 -4.184 1.00 0.38 H new ATOM 0 HA THR A 37 -9.243 1.186 -3.048 1.00 0.39 H new ATOM 0 HB THR A 37 -9.445 -1.843 -3.368 1.00 0.43 H new ATOM 0 HG1 THR A 37 -10.019 -1.340 -0.957 1.00 0.54 H new ATOM 0 HG21 THR A 37 -7.885 -1.910 -1.441 1.00 0.60 H new ATOM 0 HG22 THR A 37 -7.147 -1.088 -2.837 1.00 0.60 H new ATOM 0 HG23 THR A 37 -7.773 -0.134 -1.471 1.00 0.60 H new ATOM 545 N PRO A 38 -7.342 1.175 -4.648 1.00 0.34 N ATOM 546 CA PRO A 38 -6.210 1.265 -5.593 1.00 0.35 C ATOM 547 C PRO A 38 -5.115 0.246 -5.243 1.00 0.34 C ATOM 548 O PRO A 38 -5.085 -0.304 -4.152 1.00 0.38 O ATOM 549 CB PRO A 38 -5.699 2.697 -5.405 1.00 0.41 C ATOM 550 CG PRO A 38 -6.171 3.149 -4.004 1.00 0.43 C ATOM 551 CD PRO A 38 -7.354 2.240 -3.621 1.00 0.39 C ATOM 0 HA PRO A 38 -6.501 1.047 -6.621 1.00 0.35 H new ATOM 0 HB2 PRO A 38 -4.612 2.734 -5.479 1.00 0.41 H new ATOM 0 HB3 PRO A 38 -6.094 3.355 -6.179 1.00 0.41 H new ATOM 0 HG2 PRO A 38 -5.364 3.061 -3.277 1.00 0.43 H new ATOM 0 HG3 PRO A 38 -6.475 4.196 -4.017 1.00 0.43 H new ATOM 0 HD2 PRO A 38 -7.232 1.828 -2.619 1.00 0.39 H new ATOM 0 HD3 PRO A 38 -8.296 2.789 -3.627 1.00 0.39 H new ATOM 559 N PHE A 39 -4.210 0.000 -6.164 1.00 0.32 N ATOM 560 CA PHE A 39 -3.105 -0.972 -5.901 1.00 0.32 C ATOM 561 C PHE A 39 -2.199 -0.442 -4.780 1.00 0.36 C ATOM 562 O PHE A 39 -1.474 -1.197 -4.162 1.00 0.41 O ATOM 563 CB PHE A 39 -2.282 -1.189 -7.175 1.00 0.31 C ATOM 564 CG PHE A 39 -1.678 -2.576 -7.155 1.00 0.33 C ATOM 565 CD1 PHE A 39 -2.510 -3.704 -7.131 1.00 0.40 C ATOM 566 CD2 PHE A 39 -0.286 -2.736 -7.155 1.00 0.44 C ATOM 567 CE1 PHE A 39 -1.951 -4.986 -7.111 1.00 0.46 C ATOM 568 CE2 PHE A 39 0.272 -4.019 -7.135 1.00 0.51 C ATOM 569 CZ PHE A 39 -0.562 -5.144 -7.111 1.00 0.48 C ATOM 0 H PHE A 39 -4.192 0.433 -7.087 1.00 0.32 H new ATOM 0 HA PHE A 39 -3.537 -1.924 -5.592 1.00 0.32 H new ATOM 0 HB2 PHE A 39 -2.915 -1.069 -8.054 1.00 0.31 H new ATOM 0 HB3 PHE A 39 -1.494 -0.439 -7.244 1.00 0.31 H new ATOM 0 HD1 PHE A 39 -3.583 -3.583 -7.128 1.00 0.40 H new ATOM 0 HD2 PHE A 39 0.357 -1.868 -7.170 1.00 0.44 H new ATOM 0 HE1 PHE A 39 -2.593 -5.854 -7.096 1.00 0.46 H new ATOM 0 HE2 PHE A 39 1.345 -4.142 -7.138 1.00 0.51 H new ATOM 0 HZ PHE A 39 -0.132 -6.134 -7.092 1.00 0.48 H new ATOM 579 N THR A 40 -2.246 0.846 -4.498 1.00 0.38 N ATOM 580 CA THR A 40 -1.405 1.414 -3.397 1.00 0.43 C ATOM 581 C THR A 40 -1.770 0.708 -2.089 1.00 0.43 C ATOM 582 O THR A 40 -0.908 0.268 -1.351 1.00 0.49 O ATOM 583 CB THR A 40 -1.660 2.925 -3.241 1.00 0.49 C ATOM 584 OG1 THR A 40 -2.944 3.262 -3.755 1.00 0.81 O ATOM 585 CG2 THR A 40 -0.586 3.712 -3.991 1.00 0.79 C ATOM 0 H THR A 40 -2.832 1.524 -4.986 1.00 0.38 H new ATOM 0 HA THR A 40 -0.353 1.261 -3.637 1.00 0.43 H new ATOM 0 HB THR A 40 -1.623 3.180 -2.182 1.00 0.49 H new ATOM 0 HG1 THR A 40 -3.096 4.224 -3.649 1.00 0.81 H new ATOM 0 HG21 THR A 40 -0.771 4.780 -3.877 1.00 0.79 H new ATOM 0 HG22 THR A 40 0.395 3.469 -3.583 1.00 0.79 H new ATOM 0 HG23 THR A 40 -0.614 3.450 -5.049 1.00 0.79 H new ATOM 593 N ALA A 41 -3.050 0.593 -1.807 1.00 0.42 N ATOM 594 CA ALA A 41 -3.501 -0.091 -0.557 1.00 0.46 C ATOM 595 C ALA A 41 -3.308 -1.608 -0.698 1.00 0.44 C ATOM 596 O ALA A 41 -2.925 -2.274 0.246 1.00 0.50 O ATOM 597 CB ALA A 41 -4.981 0.217 -0.312 1.00 0.51 C ATOM 0 H ALA A 41 -3.803 0.948 -2.396 1.00 0.42 H new ATOM 0 HA ALA A 41 -2.910 0.270 0.285 1.00 0.46 H new ATOM 0 HB1 ALA A 41 -5.310 -0.282 0.600 1.00 0.51 H new ATOM 0 HB2 ALA A 41 -5.116 1.293 -0.206 1.00 0.51 H new ATOM 0 HB3 ALA A 41 -5.572 -0.141 -1.155 1.00 0.51 H new ATOM 603 N VAL A 42 -3.563 -2.156 -1.870 1.00 0.39 N ATOM 604 CA VAL A 42 -3.387 -3.634 -2.075 1.00 0.39 C ATOM 605 C VAL A 42 -1.921 -4.010 -1.813 1.00 0.40 C ATOM 606 O VAL A 42 -1.631 -4.901 -1.036 1.00 0.46 O ATOM 607 CB VAL A 42 -3.763 -4.008 -3.517 1.00 0.39 C ATOM 608 CG1 VAL A 42 -3.566 -5.513 -3.728 1.00 0.44 C ATOM 609 CG2 VAL A 42 -5.229 -3.649 -3.779 1.00 0.43 C ATOM 0 H VAL A 42 -3.885 -1.643 -2.691 1.00 0.39 H new ATOM 0 HA VAL A 42 -4.034 -4.175 -1.385 1.00 0.39 H new ATOM 0 HB VAL A 42 -3.124 -3.456 -4.206 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -3.834 -5.775 -4.752 1.00 0.44 H new ATOM 0 HG12 VAL A 42 -2.523 -5.772 -3.548 1.00 0.44 H new ATOM 0 HG13 VAL A 42 -4.201 -6.064 -3.035 1.00 0.44 H new ATOM 0 HG21 VAL A 42 -5.492 -3.916 -4.803 1.00 0.43 H new ATOM 0 HG22 VAL A 42 -5.867 -4.197 -3.086 1.00 0.43 H new ATOM 0 HG23 VAL A 42 -5.373 -2.578 -3.635 1.00 0.43 H new ATOM 619 N LEU A 43 -1.001 -3.326 -2.457 1.00 0.40 N ATOM 620 CA LEU A 43 0.453 -3.616 -2.258 1.00 0.43 C ATOM 621 C LEU A 43 0.850 -3.298 -0.808 1.00 0.47 C ATOM 622 O LEU A 43 1.682 -3.972 -0.228 1.00 0.51 O ATOM 623 CB LEU A 43 1.278 -2.748 -3.217 1.00 0.45 C ATOM 624 CG LEU A 43 2.712 -3.283 -3.292 1.00 0.53 C ATOM 625 CD1 LEU A 43 3.191 -3.266 -4.746 1.00 0.54 C ATOM 626 CD2 LEU A 43 3.632 -2.401 -2.444 1.00 0.70 C ATOM 0 H LEU A 43 -1.200 -2.574 -3.117 1.00 0.40 H new ATOM 0 HA LEU A 43 0.645 -4.670 -2.460 1.00 0.43 H new ATOM 0 HB2 LEU A 43 0.825 -2.753 -4.208 1.00 0.45 H new ATOM 0 HB3 LEU A 43 1.283 -1.713 -2.874 1.00 0.45 H new ATOM 0 HG LEU A 43 2.736 -4.305 -2.913 1.00 0.53 H new ATOM 0 HD11 LEU A 43 4.211 -3.647 -4.798 1.00 0.54 H new ATOM 0 HD12 LEU A 43 2.538 -3.894 -5.352 1.00 0.54 H new ATOM 0 HD13 LEU A 43 3.165 -2.245 -5.126 1.00 0.54 H new ATOM 0 HD21 LEU A 43 4.652 -2.782 -2.498 1.00 0.70 H new ATOM 0 HD22 LEU A 43 3.606 -1.379 -2.822 1.00 0.70 H new ATOM 0 HD23 LEU A 43 3.294 -2.413 -1.408 1.00 0.70 H new ATOM 638 N LYS A 44 0.255 -2.277 -0.222 1.00 0.50 N ATOM 639 CA LYS A 44 0.584 -1.907 1.194 1.00 0.57 C ATOM 640 C LYS A 44 0.157 -3.040 2.131 1.00 0.56 C ATOM 641 O LYS A 44 0.902 -3.447 3.002 1.00 0.61 O ATOM 642 CB LYS A 44 -0.166 -0.621 1.581 1.00 0.63 C ATOM 643 CG LYS A 44 0.703 0.228 2.518 1.00 0.77 C ATOM 644 CD LYS A 44 -0.135 0.738 3.695 1.00 1.20 C ATOM 645 CE LYS A 44 -0.073 -0.271 4.846 1.00 1.90 C ATOM 646 NZ LYS A 44 -0.604 0.356 6.090 1.00 2.86 N ATOM 0 H LYS A 44 -0.446 -1.685 -0.668 1.00 0.50 H new ATOM 0 HA LYS A 44 1.658 -1.743 1.282 1.00 0.57 H new ATOM 0 HB2 LYS A 44 -0.415 -0.051 0.686 1.00 0.63 H new ATOM 0 HB3 LYS A 44 -1.107 -0.872 2.071 1.00 0.63 H new ATOM 0 HG2 LYS A 44 1.540 -0.365 2.887 1.00 0.77 H new ATOM 0 HG3 LYS A 44 1.126 1.070 1.971 1.00 0.77 H new ATOM 0 HD2 LYS A 44 0.238 1.707 4.027 1.00 1.20 H new ATOM 0 HD3 LYS A 44 -1.169 0.885 3.382 1.00 1.20 H new ATOM 0 HE2 LYS A 44 -0.655 -1.158 4.597 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.955 -0.598 5.002 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 -0.561 -0.330 6.870 1.00 2.86 H new ATOM 0 HZ2 LYS A 44 -0.031 1.190 6.330 1.00 2.86 H new ATOM 0 HZ3 LYS A 44 -1.591 0.646 5.938 1.00 2.86 H new ATOM 660 N PHE A 45 -1.042 -3.547 1.955 1.00 0.55 N ATOM 661 CA PHE A 45 -1.542 -4.652 2.828 1.00 0.57 C ATOM 662 C PHE A 45 -0.743 -5.938 2.568 1.00 0.52 C ATOM 663 O PHE A 45 -0.381 -6.640 3.494 1.00 0.58 O ATOM 664 CB PHE A 45 -3.026 -4.898 2.534 1.00 0.62 C ATOM 665 CG PHE A 45 -3.723 -5.341 3.799 1.00 0.80 C ATOM 666 CD1 PHE A 45 -3.741 -4.502 4.921 1.00 1.05 C ATOM 667 CD2 PHE A 45 -4.351 -6.591 3.849 1.00 0.93 C ATOM 668 CE1 PHE A 45 -4.383 -4.915 6.092 1.00 1.29 C ATOM 669 CE2 PHE A 45 -4.994 -7.002 5.022 1.00 1.17 C ATOM 670 CZ PHE A 45 -5.012 -6.165 6.143 1.00 1.31 C ATOM 0 H PHE A 45 -1.698 -3.238 1.238 1.00 0.55 H new ATOM 0 HA PHE A 45 -1.417 -4.367 3.872 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -3.488 -3.988 2.151 1.00 0.62 H new ATOM 0 HB3 PHE A 45 -3.133 -5.659 1.761 1.00 0.62 H new ATOM 0 HD1 PHE A 45 -3.259 -3.536 4.881 1.00 1.05 H new ATOM 0 HD2 PHE A 45 -4.339 -7.237 2.984 1.00 0.93 H new ATOM 0 HE1 PHE A 45 -4.394 -4.270 6.958 1.00 1.29 H new ATOM 0 HE2 PHE A 45 -5.477 -7.967 5.062 1.00 1.17 H new ATOM 0 HZ PHE A 45 -5.511 -6.483 7.047 1.00 1.31 H new ATOM 680 N ALA A 46 -0.468 -6.250 1.321 1.00 0.48 N ATOM 681 CA ALA A 46 0.307 -7.491 1.001 1.00 0.47 C ATOM 682 C ALA A 46 1.706 -7.405 1.628 1.00 0.45 C ATOM 683 O ALA A 46 2.166 -8.340 2.257 1.00 0.49 O ATOM 684 CB ALA A 46 0.433 -7.641 -0.517 1.00 0.50 C ATOM 0 H ALA A 46 -0.748 -5.697 0.511 1.00 0.48 H new ATOM 0 HA ALA A 46 -0.217 -8.356 1.408 1.00 0.47 H new ATOM 0 HB1 ALA A 46 0.997 -8.545 -0.748 1.00 0.50 H new ATOM 0 HB2 ALA A 46 -0.561 -7.711 -0.959 1.00 0.50 H new ATOM 0 HB3 ALA A 46 0.952 -6.775 -0.926 1.00 0.50 H new ATOM 690 N ALA A 47 2.377 -6.287 1.463 1.00 0.46 N ATOM 691 CA ALA A 47 3.746 -6.123 2.049 1.00 0.49 C ATOM 692 C ALA A 47 3.660 -6.113 3.583 1.00 0.52 C ATOM 693 O ALA A 47 4.535 -6.618 4.260 1.00 0.57 O ATOM 694 CB ALA A 47 4.356 -4.804 1.565 1.00 0.55 C ATOM 0 H ALA A 47 2.032 -5.479 0.945 1.00 0.46 H new ATOM 0 HA ALA A 47 4.373 -6.955 1.729 1.00 0.49 H new ATOM 0 HB1 ALA A 47 5.352 -4.685 1.992 1.00 0.55 H new ATOM 0 HB2 ALA A 47 4.426 -4.813 0.477 1.00 0.55 H new ATOM 0 HB3 ALA A 47 3.725 -3.974 1.881 1.00 0.55 H new ATOM 700 N GLU A 48 2.606 -5.543 4.130 1.00 0.53 N ATOM 701 CA GLU A 48 2.445 -5.493 5.619 1.00 0.58 C ATOM 702 C GLU A 48 2.431 -6.917 6.189 1.00 0.59 C ATOM 703 O GLU A 48 3.111 -7.210 7.156 1.00 0.65 O ATOM 704 CB GLU A 48 1.128 -4.790 5.964 1.00 0.63 C ATOM 705 CG GLU A 48 1.035 -4.572 7.478 1.00 0.75 C ATOM 706 CD GLU A 48 -0.266 -5.187 8.007 1.00 1.01 C ATOM 707 OE1 GLU A 48 -1.290 -4.528 7.917 1.00 1.35 O ATOM 708 OE2 GLU A 48 -0.215 -6.305 8.493 1.00 1.16 O ATOM 0 H GLU A 48 1.848 -5.109 3.603 1.00 0.53 H new ATOM 0 HA GLU A 48 3.279 -4.942 6.054 1.00 0.58 H new ATOM 0 HB2 GLU A 48 1.070 -3.833 5.446 1.00 0.63 H new ATOM 0 HB3 GLU A 48 0.285 -5.390 5.622 1.00 0.63 H new ATOM 0 HG2 GLU A 48 1.892 -5.027 7.974 1.00 0.75 H new ATOM 0 HG3 GLU A 48 1.064 -3.506 7.705 1.00 0.75 H new ATOM 715 N GLU A 49 1.667 -7.802 5.593 1.00 0.59 N ATOM 716 CA GLU A 49 1.607 -9.211 6.091 1.00 0.63 C ATOM 717 C GLU A 49 2.889 -9.962 5.688 1.00 0.61 C ATOM 718 O GLU A 49 3.304 -10.886 6.363 1.00 0.68 O ATOM 719 CB GLU A 49 0.385 -9.913 5.491 1.00 0.69 C ATOM 720 CG GLU A 49 -0.861 -9.585 6.324 1.00 0.76 C ATOM 721 CD GLU A 49 -1.693 -8.512 5.613 1.00 0.78 C ATOM 722 OE1 GLU A 49 -2.364 -8.849 4.651 1.00 0.97 O ATOM 723 OE2 GLU A 49 -1.647 -7.370 6.043 1.00 0.76 O ATOM 0 H GLU A 49 1.081 -7.607 4.781 1.00 0.59 H new ATOM 0 HA GLU A 49 1.524 -9.207 7.178 1.00 0.63 H new ATOM 0 HB2 GLU A 49 0.239 -9.592 4.460 1.00 0.69 H new ATOM 0 HB3 GLU A 49 0.547 -10.991 5.470 1.00 0.69 H new ATOM 0 HG2 GLU A 49 -1.459 -10.484 6.470 1.00 0.76 H new ATOM 0 HG3 GLU A 49 -0.566 -9.234 7.313 1.00 0.76 H new ATOM 730 N PHE A 50 3.521 -9.564 4.601 1.00 0.55 N ATOM 731 CA PHE A 50 4.782 -10.246 4.159 1.00 0.56 C ATOM 732 C PHE A 50 5.982 -9.751 4.993 1.00 0.61 C ATOM 733 O PHE A 50 7.100 -10.191 4.789 1.00 0.68 O ATOM 734 CB PHE A 50 5.040 -9.939 2.677 1.00 0.52 C ATOM 735 CG PHE A 50 4.455 -11.030 1.804 1.00 0.48 C ATOM 736 CD1 PHE A 50 4.713 -12.379 2.086 1.00 0.56 C ATOM 737 CD2 PHE A 50 3.656 -10.689 0.705 1.00 0.50 C ATOM 738 CE1 PHE A 50 4.171 -13.381 1.273 1.00 0.60 C ATOM 739 CE2 PHE A 50 3.115 -11.692 -0.109 1.00 0.52 C ATOM 740 CZ PHE A 50 3.373 -13.038 0.177 1.00 0.55 C ATOM 0 H PHE A 50 3.215 -8.796 4.003 1.00 0.55 H new ATOM 0 HA PHE A 50 4.666 -11.320 4.302 1.00 0.56 H new ATOM 0 HB2 PHE A 50 4.597 -8.978 2.415 1.00 0.52 H new ATOM 0 HB3 PHE A 50 6.112 -9.856 2.497 1.00 0.52 H new ATOM 0 HD1 PHE A 50 5.330 -12.645 2.931 1.00 0.56 H new ATOM 0 HD2 PHE A 50 3.457 -9.651 0.485 1.00 0.50 H new ATOM 0 HE1 PHE A 50 4.369 -14.420 1.492 1.00 0.60 H new ATOM 0 HE2 PHE A 50 2.500 -11.428 -0.956 1.00 0.52 H new ATOM 0 HZ PHE A 50 2.955 -13.812 -0.449 1.00 0.55 H new ATOM 750 N LYS A 51 5.759 -8.840 5.925 1.00 0.63 N ATOM 751 CA LYS A 51 6.872 -8.305 6.777 1.00 0.71 C ATOM 752 C LYS A 51 7.893 -7.558 5.897 1.00 0.69 C ATOM 753 O LYS A 51 9.091 -7.614 6.124 1.00 0.78 O ATOM 754 CB LYS A 51 7.549 -9.460 7.537 1.00 0.80 C ATOM 755 CG LYS A 51 6.633 -9.922 8.676 1.00 0.96 C ATOM 756 CD LYS A 51 7.332 -11.013 9.497 1.00 1.35 C ATOM 757 CE LYS A 51 6.285 -11.956 10.104 1.00 2.10 C ATOM 758 NZ LYS A 51 6.072 -13.126 9.204 1.00 2.92 N ATOM 0 H LYS A 51 4.841 -8.444 6.129 1.00 0.63 H new ATOM 0 HA LYS A 51 6.465 -7.603 7.505 1.00 0.71 H new ATOM 0 HB2 LYS A 51 7.751 -10.289 6.858 1.00 0.80 H new ATOM 0 HB3 LYS A 51 8.509 -9.134 7.937 1.00 0.80 H new ATOM 0 HG2 LYS A 51 6.381 -9.077 9.317 1.00 0.96 H new ATOM 0 HG3 LYS A 51 5.697 -10.304 8.269 1.00 0.96 H new ATOM 0 HD2 LYS A 51 8.018 -11.575 8.863 1.00 1.35 H new ATOM 0 HD3 LYS A 51 7.929 -10.560 10.288 1.00 1.35 H new ATOM 0 HE2 LYS A 51 6.615 -12.297 11.085 1.00 2.10 H new ATOM 0 HE3 LYS A 51 5.345 -11.424 10.251 1.00 2.10 H new ATOM 0 HZ1 LYS A 51 5.362 -13.760 9.622 1.00 2.92 H new ATOM 0 HZ2 LYS A 51 5.738 -12.794 8.277 1.00 2.92 H new ATOM 0 HZ3 LYS A 51 6.968 -13.640 9.085 1.00 2.92 H new ATOM 772 N VAL A 52 7.411 -6.843 4.902 1.00 0.63 N ATOM 773 CA VAL A 52 8.316 -6.063 3.997 1.00 0.66 C ATOM 774 C VAL A 52 7.744 -4.648 3.814 1.00 0.66 C ATOM 775 O VAL A 52 6.551 -4.443 3.957 1.00 0.65 O ATOM 776 CB VAL A 52 8.432 -6.757 2.630 1.00 0.65 C ATOM 777 CG1 VAL A 52 9.223 -8.057 2.783 1.00 0.75 C ATOM 778 CG2 VAL A 52 7.037 -7.074 2.077 1.00 0.60 C ATOM 0 H VAL A 52 6.419 -6.768 4.678 1.00 0.63 H new ATOM 0 HA VAL A 52 9.309 -6.006 4.443 1.00 0.66 H new ATOM 0 HB VAL A 52 8.947 -6.091 1.938 1.00 0.65 H new ATOM 0 HG11 VAL A 52 9.305 -8.549 1.814 1.00 0.75 H new ATOM 0 HG12 VAL A 52 10.220 -7.834 3.162 1.00 0.75 H new ATOM 0 HG13 VAL A 52 8.708 -8.716 3.482 1.00 0.75 H new ATOM 0 HG21 VAL A 52 7.132 -7.565 1.109 1.00 0.60 H new ATOM 0 HG22 VAL A 52 6.513 -7.734 2.768 1.00 0.60 H new ATOM 0 HG23 VAL A 52 6.473 -6.149 1.960 1.00 0.60 H new ATOM 788 N PRO A 53 8.611 -3.711 3.506 1.00 0.73 N ATOM 789 CA PRO A 53 8.219 -2.303 3.305 1.00 0.76 C ATOM 790 C PRO A 53 7.521 -2.117 1.955 1.00 0.71 C ATOM 791 O PRO A 53 8.079 -2.395 0.910 1.00 0.74 O ATOM 792 CB PRO A 53 9.545 -1.545 3.358 1.00 0.88 C ATOM 793 CG PRO A 53 10.652 -2.577 3.033 1.00 0.90 C ATOM 794 CD PRO A 53 10.056 -3.966 3.324 1.00 0.81 C ATOM 0 HA PRO A 53 7.508 -1.949 4.051 1.00 0.76 H new ATOM 0 HB2 PRO A 53 9.554 -0.727 2.638 1.00 0.88 H new ATOM 0 HB3 PRO A 53 9.702 -1.105 4.343 1.00 0.88 H new ATOM 0 HG2 PRO A 53 10.961 -2.498 1.991 1.00 0.90 H new ATOM 0 HG3 PRO A 53 11.538 -2.400 3.643 1.00 0.90 H new ATOM 0 HD2 PRO A 53 10.238 -4.657 2.501 1.00 0.81 H new ATOM 0 HD3 PRO A 53 10.497 -4.410 4.216 1.00 0.81 H new ATOM 802 N ALA A 54 6.302 -1.642 1.985 1.00 0.71 N ATOM 803 CA ALA A 54 5.531 -1.421 0.721 1.00 0.70 C ATOM 804 C ALA A 54 6.100 -0.208 -0.027 1.00 0.75 C ATOM 805 O ALA A 54 6.113 -0.177 -1.245 1.00 0.78 O ATOM 806 CB ALA A 54 4.058 -1.169 1.058 1.00 0.75 C ATOM 0 H ALA A 54 5.802 -1.395 2.839 1.00 0.71 H new ATOM 0 HA ALA A 54 5.614 -2.305 0.089 1.00 0.70 H new ATOM 0 HB1 ALA A 54 3.497 -1.008 0.138 1.00 0.75 H new ATOM 0 HB2 ALA A 54 3.652 -2.033 1.584 1.00 0.75 H new ATOM 0 HB3 ALA A 54 3.976 -0.286 1.692 1.00 0.75 H new ATOM 812 N ALA A 55 6.572 0.784 0.697 1.00 0.81 N ATOM 813 CA ALA A 55 7.148 2.003 0.045 1.00 0.89 C ATOM 814 C ALA A 55 8.339 1.610 -0.842 1.00 0.88 C ATOM 815 O ALA A 55 8.556 2.192 -1.888 1.00 0.98 O ATOM 816 CB ALA A 55 7.618 2.982 1.124 1.00 0.96 C ATOM 0 H ALA A 55 6.582 0.799 1.717 1.00 0.81 H new ATOM 0 HA ALA A 55 6.383 2.475 -0.572 1.00 0.89 H new ATOM 0 HB1 ALA A 55 8.038 3.870 0.652 1.00 0.96 H new ATOM 0 HB2 ALA A 55 6.772 3.269 1.749 1.00 0.96 H new ATOM 0 HB3 ALA A 55 8.379 2.505 1.741 1.00 0.96 H new ATOM 822 N THR A 56 9.106 0.624 -0.434 1.00 0.82 N ATOM 823 CA THR A 56 10.279 0.185 -1.253 1.00 0.85 C ATOM 824 C THR A 56 10.027 -1.237 -1.782 1.00 0.79 C ATOM 825 O THR A 56 10.891 -2.097 -1.728 1.00 0.82 O ATOM 826 CB THR A 56 11.552 0.218 -0.391 1.00 0.92 C ATOM 827 OG1 THR A 56 11.316 -0.445 0.845 1.00 0.91 O ATOM 828 CG2 THR A 56 11.951 1.671 -0.126 1.00 1.05 C ATOM 0 H THR A 56 8.968 0.105 0.433 1.00 0.82 H new ATOM 0 HA THR A 56 10.412 0.860 -2.099 1.00 0.85 H new ATOM 0 HB THR A 56 12.358 -0.290 -0.921 1.00 0.92 H new ATOM 0 HG1 THR A 56 12.131 -0.422 1.389 1.00 0.91 H new ATOM 0 HG21 THR A 56 12.853 1.695 0.485 1.00 1.05 H new ATOM 0 HG22 THR A 56 12.141 2.175 -1.074 1.00 1.05 H new ATOM 0 HG23 THR A 56 11.143 2.180 0.400 1.00 1.05 H new ATOM 836 N SER A 57 8.843 -1.486 -2.298 1.00 0.74 N ATOM 837 CA SER A 57 8.517 -2.843 -2.838 1.00 0.69 C ATOM 838 C SER A 57 7.536 -2.724 -4.010 1.00 0.62 C ATOM 839 O SER A 57 6.766 -1.783 -4.100 1.00 0.74 O ATOM 840 CB SER A 57 7.881 -3.698 -1.739 1.00 0.74 C ATOM 841 OG SER A 57 8.904 -4.276 -0.938 1.00 0.79 O ATOM 0 H SER A 57 8.088 -0.804 -2.367 1.00 0.74 H new ATOM 0 HA SER A 57 9.438 -3.312 -3.184 1.00 0.69 H new ATOM 0 HB2 SER A 57 7.223 -3.086 -1.122 1.00 0.74 H new ATOM 0 HB3 SER A 57 7.265 -4.481 -2.182 1.00 0.74 H new ATOM 0 HG SER A 57 8.940 -3.818 -0.072 1.00 0.79 H new ATOM 847 N ALA A 58 7.560 -3.686 -4.901 1.00 0.55 N ATOM 848 CA ALA A 58 6.634 -3.669 -6.075 1.00 0.51 C ATOM 849 C ALA A 58 6.047 -5.073 -6.275 1.00 0.44 C ATOM 850 O ALA A 58 6.488 -6.031 -5.662 1.00 0.44 O ATOM 851 CB ALA A 58 7.406 -3.253 -7.331 1.00 0.57 C ATOM 0 H ALA A 58 8.188 -4.489 -4.864 1.00 0.55 H new ATOM 0 HA ALA A 58 5.828 -2.957 -5.895 1.00 0.51 H new ATOM 0 HB1 ALA A 58 6.730 -3.241 -8.186 1.00 0.57 H new ATOM 0 HB2 ALA A 58 7.826 -2.258 -7.187 1.00 0.57 H new ATOM 0 HB3 ALA A 58 8.211 -3.964 -7.515 1.00 0.57 H new ATOM 857 N ILE A 59 5.056 -5.203 -7.124 1.00 0.41 N ATOM 858 CA ILE A 59 4.442 -6.544 -7.360 1.00 0.36 C ATOM 859 C ILE A 59 4.434 -6.840 -8.863 1.00 0.35 C ATOM 860 O ILE A 59 3.881 -6.094 -9.643 1.00 0.36 O ATOM 861 CB ILE A 59 3.008 -6.554 -6.802 1.00 0.36 C ATOM 862 CG1 ILE A 59 3.061 -6.780 -5.286 1.00 0.41 C ATOM 863 CG2 ILE A 59 2.183 -7.676 -7.451 1.00 0.38 C ATOM 864 CD1 ILE A 59 1.696 -6.463 -4.668 1.00 0.47 C ATOM 0 H ILE A 59 4.648 -4.439 -7.662 1.00 0.41 H new ATOM 0 HA ILE A 59 5.022 -7.314 -6.852 1.00 0.36 H new ATOM 0 HB ILE A 59 2.536 -5.597 -7.025 1.00 0.36 H new ATOM 0 HG12 ILE A 59 3.337 -7.813 -5.072 1.00 0.41 H new ATOM 0 HG13 ILE A 59 3.828 -6.147 -4.841 1.00 0.41 H new ATOM 0 HG21 ILE A 59 1.172 -7.667 -7.043 1.00 0.38 H new ATOM 0 HG22 ILE A 59 2.141 -7.520 -8.529 1.00 0.38 H new ATOM 0 HG23 ILE A 59 2.650 -8.639 -7.242 1.00 0.38 H new ATOM 0 HD11 ILE A 59 1.738 -6.625 -3.591 1.00 0.47 H new ATOM 0 HD12 ILE A 59 1.438 -5.423 -4.869 1.00 0.47 H new ATOM 0 HD13 ILE A 59 0.939 -7.115 -5.104 1.00 0.47 H new ATOM 876 N ILE A 60 5.035 -7.934 -9.265 1.00 0.37 N ATOM 877 CA ILE A 60 5.059 -8.295 -10.717 1.00 0.39 C ATOM 878 C ILE A 60 3.955 -9.326 -11.005 1.00 0.37 C ATOM 879 O ILE A 60 3.290 -9.803 -10.105 1.00 0.40 O ATOM 880 CB ILE A 60 6.431 -8.881 -11.089 1.00 0.46 C ATOM 881 CG1 ILE A 60 6.711 -10.139 -10.256 1.00 0.48 C ATOM 882 CG2 ILE A 60 7.523 -7.840 -10.823 1.00 0.52 C ATOM 883 CD1 ILE A 60 7.104 -11.291 -11.183 1.00 0.70 C ATOM 0 H ILE A 60 5.511 -8.593 -8.649 1.00 0.37 H new ATOM 0 HA ILE A 60 4.884 -7.400 -11.314 1.00 0.39 H new ATOM 0 HB ILE A 60 6.428 -9.147 -12.146 1.00 0.46 H new ATOM 0 HG12 ILE A 60 7.511 -9.944 -9.542 1.00 0.48 H new ATOM 0 HG13 ILE A 60 5.827 -10.409 -9.678 1.00 0.48 H new ATOM 0 HG21 ILE A 60 8.495 -8.257 -11.087 1.00 0.52 H new ATOM 0 HG22 ILE A 60 7.333 -6.952 -11.425 1.00 0.52 H new ATOM 0 HG23 ILE A 60 7.519 -7.570 -9.767 1.00 0.52 H new ATOM 0 HD11 ILE A 60 7.303 -12.184 -10.590 1.00 0.70 H new ATOM 0 HD12 ILE A 60 6.290 -11.492 -11.879 1.00 0.70 H new ATOM 0 HD13 ILE A 60 8.000 -11.019 -11.741 1.00 0.70 H new ATOM 895 N THR A 61 3.756 -9.664 -12.256 1.00 0.41 N ATOM 896 CA THR A 61 2.696 -10.659 -12.614 1.00 0.43 C ATOM 897 C THR A 61 3.355 -11.982 -13.032 1.00 0.48 C ATOM 898 O THR A 61 4.511 -12.018 -13.417 1.00 0.53 O ATOM 899 CB THR A 61 1.841 -10.105 -13.764 1.00 0.47 C ATOM 900 OG1 THR A 61 1.343 -8.823 -13.402 1.00 0.48 O ATOM 901 CG2 THR A 61 0.661 -11.042 -14.042 1.00 0.56 C ATOM 0 H THR A 61 4.283 -9.293 -13.047 1.00 0.41 H new ATOM 0 HA THR A 61 2.055 -10.840 -11.751 1.00 0.43 H new ATOM 0 HB THR A 61 2.456 -10.028 -14.660 1.00 0.47 H new ATOM 0 HG1 THR A 61 2.052 -8.155 -13.507 1.00 0.48 H new ATOM 0 HG21 THR A 61 0.062 -10.640 -14.859 1.00 0.56 H new ATOM 0 HG22 THR A 61 1.036 -12.027 -14.318 1.00 0.56 H new ATOM 0 HG23 THR A 61 0.045 -11.126 -13.147 1.00 0.56 H new ATOM 909 N ASN A 62 2.622 -13.072 -12.945 1.00 0.50 N ATOM 910 CA ASN A 62 3.181 -14.412 -13.320 1.00 0.56 C ATOM 911 C ASN A 62 3.708 -14.407 -14.766 1.00 0.62 C ATOM 912 O ASN A 62 4.591 -15.176 -15.105 1.00 0.70 O ATOM 913 CB ASN A 62 2.084 -15.473 -13.182 1.00 0.60 C ATOM 914 CG ASN A 62 2.301 -16.265 -11.889 1.00 0.81 C ATOM 915 OD1 ASN A 62 2.641 -17.431 -11.926 1.00 1.18 O ATOM 916 ND2 ASN A 62 2.120 -15.675 -10.738 1.00 1.08 N ATOM 0 H ASN A 62 1.653 -13.088 -12.627 1.00 0.50 H new ATOM 0 HA ASN A 62 4.012 -14.640 -12.652 1.00 0.56 H new ATOM 0 HB2 ASN A 62 1.103 -14.998 -13.170 1.00 0.60 H new ATOM 0 HB3 ASN A 62 2.103 -16.145 -14.040 1.00 0.60 H new ATOM 0 HD21 ASN A 62 2.264 -16.193 -9.871 1.00 1.08 H new ATOM 0 HD22 ASN A 62 1.835 -14.696 -10.706 1.00 1.08 H new ATOM 923 N ASP A 63 3.183 -13.552 -15.618 1.00 0.63 N ATOM 924 CA ASP A 63 3.662 -13.506 -17.036 1.00 0.72 C ATOM 925 C ASP A 63 4.982 -12.727 -17.107 1.00 0.73 C ATOM 926 O ASP A 63 5.922 -13.153 -17.753 1.00 0.90 O ATOM 927 CB ASP A 63 2.613 -12.814 -17.914 1.00 0.76 C ATOM 928 CG ASP A 63 1.343 -13.671 -17.974 1.00 0.91 C ATOM 929 OD1 ASP A 63 1.268 -14.526 -18.842 1.00 1.14 O ATOM 930 OD2 ASP A 63 0.468 -13.458 -17.150 1.00 1.08 O ATOM 0 H ASP A 63 2.445 -12.886 -15.390 1.00 0.63 H new ATOM 0 HA ASP A 63 3.820 -14.523 -17.395 1.00 0.72 H new ATOM 0 HB2 ASP A 63 2.380 -11.829 -17.510 1.00 0.76 H new ATOM 0 HB3 ASP A 63 3.008 -12.662 -18.918 1.00 0.76 H new ATOM 935 N GLY A 64 5.057 -11.595 -16.442 1.00 0.66 N ATOM 936 CA GLY A 64 6.314 -10.785 -16.461 1.00 0.70 C ATOM 937 C GLY A 64 5.973 -9.299 -16.595 1.00 0.66 C ATOM 938 O GLY A 64 6.447 -8.626 -17.493 1.00 0.77 O ATOM 0 H GLY A 64 4.298 -11.199 -15.887 1.00 0.66 H new ATOM 0 HA2 GLY A 64 6.881 -10.956 -15.546 1.00 0.70 H new ATOM 0 HA3 GLY A 64 6.947 -11.098 -17.291 1.00 0.70 H new ATOM 942 N VAL A 65 5.158 -8.784 -15.704 1.00 0.57 N ATOM 943 CA VAL A 65 4.778 -7.338 -15.761 1.00 0.55 C ATOM 944 C VAL A 65 4.949 -6.720 -14.368 1.00 0.50 C ATOM 945 O VAL A 65 4.306 -7.127 -13.419 1.00 0.51 O ATOM 946 CB VAL A 65 3.318 -7.203 -16.214 1.00 0.53 C ATOM 947 CG1 VAL A 65 2.966 -5.722 -16.379 1.00 0.62 C ATOM 948 CG2 VAL A 65 3.124 -7.921 -17.554 1.00 0.72 C ATOM 0 H VAL A 65 4.738 -9.308 -14.936 1.00 0.57 H new ATOM 0 HA VAL A 65 5.419 -6.818 -16.473 1.00 0.55 H new ATOM 0 HB VAL A 65 2.668 -7.652 -15.463 1.00 0.53 H new ATOM 0 HG11 VAL A 65 1.929 -5.628 -16.701 1.00 0.62 H new ATOM 0 HG12 VAL A 65 3.098 -5.208 -15.427 1.00 0.62 H new ATOM 0 HG13 VAL A 65 3.620 -5.274 -17.127 1.00 0.62 H new ATOM 0 HG21 VAL A 65 2.086 -7.823 -17.872 1.00 0.72 H new ATOM 0 HG22 VAL A 65 3.777 -7.475 -18.304 1.00 0.72 H new ATOM 0 HG23 VAL A 65 3.370 -8.977 -17.440 1.00 0.72 H new ATOM 958 N GLY A 66 5.820 -5.744 -14.246 1.00 0.54 N ATOM 959 CA GLY A 66 6.058 -5.089 -12.924 1.00 0.52 C ATOM 960 C GLY A 66 4.868 -4.199 -12.565 1.00 0.47 C ATOM 961 O GLY A 66 4.857 -3.015 -12.852 1.00 0.50 O ATOM 0 H GLY A 66 6.379 -5.372 -15.014 1.00 0.54 H new ATOM 0 HA2 GLY A 66 6.203 -5.846 -12.154 1.00 0.52 H new ATOM 0 HA3 GLY A 66 6.970 -4.494 -12.962 1.00 0.52 H new ATOM 965 N VAL A 67 3.871 -4.766 -11.933 1.00 0.41 N ATOM 966 CA VAL A 67 2.665 -3.972 -11.535 1.00 0.37 C ATOM 967 C VAL A 67 3.052 -2.975 -10.435 1.00 0.37 C ATOM 968 O VAL A 67 3.665 -3.332 -9.439 1.00 0.44 O ATOM 969 CB VAL A 67 1.567 -4.910 -11.014 1.00 0.34 C ATOM 970 CG1 VAL A 67 0.262 -4.127 -10.847 1.00 0.39 C ATOM 971 CG2 VAL A 67 1.347 -6.053 -12.011 1.00 0.42 C ATOM 0 H VAL A 67 3.839 -5.752 -11.673 1.00 0.41 H new ATOM 0 HA VAL A 67 2.289 -3.432 -12.404 1.00 0.37 H new ATOM 0 HB VAL A 67 1.874 -5.321 -10.052 1.00 0.34 H new ATOM 0 HG11 VAL A 67 -0.517 -4.793 -10.477 1.00 0.39 H new ATOM 0 HG12 VAL A 67 0.413 -3.315 -10.135 1.00 0.39 H new ATOM 0 HG13 VAL A 67 -0.040 -3.714 -11.809 1.00 0.39 H new ATOM 0 HG21 VAL A 67 0.567 -6.716 -11.638 1.00 0.42 H new ATOM 0 HG22 VAL A 67 1.044 -5.642 -12.974 1.00 0.42 H new ATOM 0 HG23 VAL A 67 2.274 -6.614 -12.131 1.00 0.42 H new ATOM 981 N ASN A 68 2.695 -1.726 -10.616 1.00 0.39 N ATOM 982 CA ASN A 68 3.030 -0.682 -9.601 1.00 0.43 C ATOM 983 C ASN A 68 1.777 -0.324 -8.786 1.00 0.37 C ATOM 984 O ASN A 68 0.665 -0.567 -9.222 1.00 0.33 O ATOM 985 CB ASN A 68 3.545 0.570 -10.320 1.00 0.55 C ATOM 986 CG ASN A 68 5.041 0.417 -10.608 1.00 0.67 C ATOM 987 OD1 ASN A 68 5.444 -0.458 -11.350 1.00 0.86 O ATOM 988 ND2 ASN A 68 5.889 1.237 -10.050 1.00 0.90 N ATOM 0 H ASN A 68 2.183 -1.385 -11.429 1.00 0.39 H new ATOM 0 HA ASN A 68 3.797 -1.065 -8.927 1.00 0.43 H new ATOM 0 HB2 ASN A 68 2.998 0.718 -11.251 1.00 0.55 H new ATOM 0 HB3 ASN A 68 3.371 1.453 -9.705 1.00 0.55 H new ATOM 0 HD21 ASN A 68 6.887 1.143 -10.237 1.00 0.90 H new ATOM 0 HD22 ASN A 68 5.553 1.972 -9.427 1.00 0.90 H new ATOM 995 N PRO A 69 2.002 0.253 -7.625 1.00 0.42 N ATOM 996 CA PRO A 69 0.919 0.674 -6.714 1.00 0.47 C ATOM 997 C PRO A 69 0.303 1.992 -7.210 1.00 0.51 C ATOM 998 O PRO A 69 0.412 3.025 -6.575 1.00 0.62 O ATOM 999 CB PRO A 69 1.635 0.852 -5.368 1.00 0.59 C ATOM 1000 CG PRO A 69 3.129 1.084 -5.695 1.00 0.59 C ATOM 1001 CD PRO A 69 3.359 0.539 -7.116 1.00 0.51 C ATOM 0 HA PRO A 69 0.095 -0.036 -6.649 1.00 0.47 H new ATOM 0 HB2 PRO A 69 1.222 1.697 -4.817 1.00 0.59 H new ATOM 0 HB3 PRO A 69 1.507 -0.030 -4.741 1.00 0.59 H new ATOM 0 HG2 PRO A 69 3.377 2.144 -5.642 1.00 0.59 H new ATOM 0 HG3 PRO A 69 3.767 0.571 -4.975 1.00 0.59 H new ATOM 0 HD2 PRO A 69 3.873 1.268 -7.743 1.00 0.51 H new ATOM 0 HD3 PRO A 69 3.975 -0.360 -7.102 1.00 0.51 H new ATOM 1009 N ALA A 70 -0.335 1.954 -8.356 1.00 0.48 N ATOM 1010 CA ALA A 70 -0.960 3.189 -8.926 1.00 0.56 C ATOM 1011 C ALA A 70 -2.322 2.847 -9.548 1.00 0.50 C ATOM 1012 O ALA A 70 -3.309 3.514 -9.291 1.00 0.64 O ATOM 1013 CB ALA A 70 -0.040 3.774 -10.002 1.00 0.63 C ATOM 0 H ALA A 70 -0.450 1.115 -8.924 1.00 0.48 H new ATOM 0 HA ALA A 70 -1.104 3.919 -8.129 1.00 0.56 H new ATOM 0 HB1 ALA A 70 -0.493 4.674 -10.418 1.00 0.63 H new ATOM 0 HB2 ALA A 70 0.924 4.025 -9.559 1.00 0.63 H new ATOM 0 HB3 ALA A 70 0.105 3.040 -10.795 1.00 0.63 H new ATOM 1019 N GLN A 71 -2.379 1.816 -10.364 1.00 0.34 N ATOM 1020 CA GLN A 71 -3.673 1.422 -11.012 1.00 0.32 C ATOM 1021 C GLN A 71 -4.675 0.947 -9.946 1.00 0.29 C ATOM 1022 O GLN A 71 -4.282 0.521 -8.877 1.00 0.34 O ATOM 1023 CB GLN A 71 -3.419 0.284 -12.007 1.00 0.37 C ATOM 1024 CG GLN A 71 -2.824 0.848 -13.300 1.00 0.60 C ATOM 1025 CD GLN A 71 -2.019 -0.244 -14.011 1.00 0.88 C ATOM 1026 OE1 GLN A 71 -2.513 -0.888 -14.915 1.00 1.17 O ATOM 1027 NE2 GLN A 71 -0.790 -0.483 -13.636 1.00 1.28 N ATOM 0 H GLN A 71 -1.581 1.230 -10.609 1.00 0.34 H new ATOM 0 HA GLN A 71 -4.086 2.286 -11.533 1.00 0.32 H new ATOM 0 HB2 GLN A 71 -2.738 -0.447 -11.571 1.00 0.37 H new ATOM 0 HB3 GLN A 71 -4.351 -0.238 -12.222 1.00 0.37 H new ATOM 0 HG2 GLN A 71 -3.620 1.210 -13.951 1.00 0.60 H new ATOM 0 HG3 GLN A 71 -2.182 1.700 -13.076 1.00 0.60 H new ATOM 0 HE21 GLN A 71 -0.374 0.057 -12.877 1.00 1.28 H new ATOM 0 HE22 GLN A 71 -0.247 -1.210 -14.102 1.00 1.28 H new ATOM 1036 N PRO A 72 -5.947 1.030 -10.279 1.00 0.29 N ATOM 1037 CA PRO A 72 -7.039 0.610 -9.377 1.00 0.32 C ATOM 1038 C PRO A 72 -7.169 -0.920 -9.364 1.00 0.31 C ATOM 1039 O PRO A 72 -6.800 -1.588 -10.312 1.00 0.35 O ATOM 1040 CB PRO A 72 -8.282 1.263 -9.990 1.00 0.38 C ATOM 1041 CG PRO A 72 -7.946 1.531 -11.475 1.00 0.39 C ATOM 1042 CD PRO A 72 -6.411 1.548 -11.585 1.00 0.34 C ATOM 0 HA PRO A 72 -6.877 0.906 -8.340 1.00 0.32 H new ATOM 0 HB2 PRO A 72 -9.149 0.609 -9.900 1.00 0.38 H new ATOM 0 HB3 PRO A 72 -8.528 2.191 -9.474 1.00 0.38 H new ATOM 0 HG2 PRO A 72 -8.371 0.757 -12.114 1.00 0.39 H new ATOM 0 HG3 PRO A 72 -8.368 2.481 -11.802 1.00 0.39 H new ATOM 0 HD2 PRO A 72 -6.064 0.923 -12.407 1.00 0.34 H new ATOM 0 HD3 PRO A 72 -6.036 2.555 -11.770 1.00 0.34 H new ATOM 1050 N ALA A 73 -7.692 -1.472 -8.292 1.00 0.33 N ATOM 1051 CA ALA A 73 -7.853 -2.960 -8.195 1.00 0.34 C ATOM 1052 C ALA A 73 -8.623 -3.495 -9.413 1.00 0.33 C ATOM 1053 O ALA A 73 -8.285 -4.532 -9.956 1.00 0.36 O ATOM 1054 CB ALA A 73 -8.619 -3.307 -6.915 1.00 0.38 C ATOM 0 H ALA A 73 -8.016 -0.952 -7.476 1.00 0.33 H new ATOM 0 HA ALA A 73 -6.866 -3.421 -8.171 1.00 0.34 H new ATOM 0 HB1 ALA A 73 -8.737 -4.388 -6.843 1.00 0.38 H new ATOM 0 HB2 ALA A 73 -8.065 -2.944 -6.050 1.00 0.38 H new ATOM 0 HB3 ALA A 73 -9.602 -2.836 -6.940 1.00 0.38 H new ATOM 1060 N GLY A 74 -9.647 -2.795 -9.847 1.00 0.36 N ATOM 1061 CA GLY A 74 -10.440 -3.255 -11.031 1.00 0.39 C ATOM 1062 C GLY A 74 -9.521 -3.403 -12.252 1.00 0.38 C ATOM 1063 O GLY A 74 -9.544 -4.414 -12.930 1.00 0.41 O ATOM 0 H GLY A 74 -9.967 -1.921 -9.429 1.00 0.36 H new ATOM 0 HA2 GLY A 74 -10.921 -4.208 -10.809 1.00 0.39 H new ATOM 0 HA3 GLY A 74 -11.234 -2.540 -11.247 1.00 0.39 H new ATOM 1067 N ASN A 75 -8.715 -2.403 -12.531 1.00 0.38 N ATOM 1068 CA ASN A 75 -7.788 -2.473 -13.706 1.00 0.40 C ATOM 1069 C ASN A 75 -6.679 -3.504 -13.445 1.00 0.40 C ATOM 1070 O ASN A 75 -6.228 -4.173 -14.354 1.00 0.44 O ATOM 1071 CB ASN A 75 -7.156 -1.096 -13.942 1.00 0.45 C ATOM 1072 CG ASN A 75 -6.692 -0.984 -15.397 1.00 0.62 C ATOM 1073 OD1 ASN A 75 -7.445 -0.565 -16.255 1.00 0.95 O ATOM 1074 ND2 ASN A 75 -5.478 -1.344 -15.714 1.00 0.85 N ATOM 0 H ASN A 75 -8.660 -1.539 -11.992 1.00 0.38 H new ATOM 0 HA ASN A 75 -8.355 -2.774 -14.587 1.00 0.40 H new ATOM 0 HB2 ASN A 75 -7.878 -0.311 -13.719 1.00 0.45 H new ATOM 0 HB3 ASN A 75 -6.311 -0.953 -13.269 1.00 0.45 H new ATOM 0 HD21 ASN A 75 -5.161 -1.274 -16.681 1.00 0.85 H new ATOM 0 HD22 ASN A 75 -4.846 -1.695 -14.995 1.00 0.85 H new ATOM 1081 N ILE A 76 -6.238 -3.631 -12.212 1.00 0.39 N ATOM 1082 CA ILE A 76 -5.157 -4.615 -11.883 1.00 0.41 C ATOM 1083 C ILE A 76 -5.625 -6.035 -12.241 1.00 0.39 C ATOM 1084 O ILE A 76 -4.875 -6.814 -12.798 1.00 0.44 O ATOM 1085 CB ILE A 76 -4.827 -4.532 -10.383 1.00 0.46 C ATOM 1086 CG1 ILE A 76 -4.183 -3.171 -10.073 1.00 0.50 C ATOM 1087 CG2 ILE A 76 -3.862 -5.661 -9.991 1.00 0.50 C ATOM 1088 CD1 ILE A 76 -2.783 -3.090 -10.691 1.00 0.48 C ATOM 0 H ILE A 76 -6.583 -3.092 -11.418 1.00 0.39 H new ATOM 0 HA ILE A 76 -4.262 -4.380 -12.460 1.00 0.41 H new ATOM 0 HB ILE A 76 -5.748 -4.639 -9.810 1.00 0.46 H new ATOM 0 HG12 ILE A 76 -4.808 -2.368 -10.465 1.00 0.50 H new ATOM 0 HG13 ILE A 76 -4.120 -3.028 -8.994 1.00 0.50 H new ATOM 0 HG21 ILE A 76 -3.635 -5.593 -8.927 1.00 0.50 H new ATOM 0 HG22 ILE A 76 -4.325 -6.625 -10.202 1.00 0.50 H new ATOM 0 HG23 ILE A 76 -2.940 -5.568 -10.565 1.00 0.50 H new ATOM 0 HD11 ILE A 76 -2.340 -2.121 -10.463 1.00 0.48 H new ATOM 0 HD12 ILE A 76 -2.157 -3.881 -10.279 1.00 0.48 H new ATOM 0 HD13 ILE A 76 -2.855 -3.211 -11.772 1.00 0.48 H new ATOM 1100 N PHE A 77 -6.857 -6.371 -11.931 1.00 0.38 N ATOM 1101 CA PHE A 77 -7.375 -7.737 -12.257 1.00 0.40 C ATOM 1102 C PHE A 77 -7.693 -7.828 -13.757 1.00 0.38 C ATOM 1103 O PHE A 77 -7.405 -8.824 -14.396 1.00 0.43 O ATOM 1104 CB PHE A 77 -8.642 -8.018 -11.442 1.00 0.42 C ATOM 1105 CG PHE A 77 -8.853 -9.512 -11.330 1.00 0.44 C ATOM 1106 CD1 PHE A 77 -9.377 -10.229 -12.412 1.00 0.49 C ATOM 1107 CD2 PHE A 77 -8.519 -10.181 -10.145 1.00 0.53 C ATOM 1108 CE1 PHE A 77 -9.571 -11.612 -12.311 1.00 0.53 C ATOM 1109 CE2 PHE A 77 -8.712 -11.564 -10.044 1.00 0.58 C ATOM 1110 CZ PHE A 77 -9.236 -12.279 -11.127 1.00 0.55 C ATOM 0 H PHE A 77 -7.525 -5.756 -11.466 1.00 0.38 H new ATOM 0 HA PHE A 77 -6.615 -8.477 -12.006 1.00 0.40 H new ATOM 0 HB2 PHE A 77 -8.553 -7.578 -10.449 1.00 0.42 H new ATOM 0 HB3 PHE A 77 -9.504 -7.554 -11.920 1.00 0.42 H new ATOM 0 HD1 PHE A 77 -9.632 -9.714 -13.327 1.00 0.49 H new ATOM 0 HD2 PHE A 77 -8.113 -9.630 -9.310 1.00 0.53 H new ATOM 0 HE1 PHE A 77 -9.979 -12.163 -13.146 1.00 0.53 H new ATOM 0 HE2 PHE A 77 -8.456 -12.079 -9.130 1.00 0.58 H new ATOM 0 HZ PHE A 77 -9.382 -13.346 -11.049 1.00 0.55 H new ATOM 1120 N LEU A 78 -8.284 -6.798 -14.322 1.00 0.38 N ATOM 1121 CA LEU A 78 -8.623 -6.818 -15.783 1.00 0.40 C ATOM 1122 C LEU A 78 -7.338 -6.929 -16.620 1.00 0.42 C ATOM 1123 O LEU A 78 -7.321 -7.576 -17.653 1.00 0.51 O ATOM 1124 CB LEU A 78 -9.355 -5.523 -16.161 1.00 0.40 C ATOM 1125 CG LEU A 78 -10.791 -5.558 -15.624 1.00 0.42 C ATOM 1126 CD1 LEU A 78 -11.362 -4.137 -15.604 1.00 0.54 C ATOM 1127 CD2 LEU A 78 -11.657 -6.439 -16.527 1.00 0.48 C ATOM 0 H LEU A 78 -8.546 -5.943 -13.832 1.00 0.38 H new ATOM 0 HA LEU A 78 -9.263 -7.677 -15.984 1.00 0.40 H new ATOM 0 HB2 LEU A 78 -8.825 -4.663 -15.751 1.00 0.40 H new ATOM 0 HB3 LEU A 78 -9.366 -5.404 -17.244 1.00 0.40 H new ATOM 0 HG LEU A 78 -10.788 -5.967 -14.613 1.00 0.42 H new ATOM 0 HD11 LEU A 78 -12.383 -4.160 -15.222 1.00 0.54 H new ATOM 0 HD12 LEU A 78 -10.748 -3.507 -14.960 1.00 0.54 H new ATOM 0 HD13 LEU A 78 -11.362 -3.731 -16.615 1.00 0.54 H new ATOM 0 HD21 LEU A 78 -12.677 -6.462 -16.143 1.00 0.48 H new ATOM 0 HD22 LEU A 78 -11.659 -6.032 -17.538 1.00 0.48 H new ATOM 0 HD23 LEU A 78 -11.253 -7.451 -16.544 1.00 0.48 H new ATOM 1139 N LYS A 79 -6.272 -6.292 -16.188 1.00 0.43 N ATOM 1140 CA LYS A 79 -4.987 -6.336 -16.956 1.00 0.47 C ATOM 1141 C LYS A 79 -4.145 -7.551 -16.535 1.00 0.49 C ATOM 1142 O LYS A 79 -3.730 -8.339 -17.366 1.00 0.59 O ATOM 1143 CB LYS A 79 -4.192 -5.050 -16.687 1.00 0.53 C ATOM 1144 CG LYS A 79 -3.252 -4.778 -17.863 1.00 0.60 C ATOM 1145 CD LYS A 79 -2.695 -3.353 -17.773 1.00 1.02 C ATOM 1146 CE LYS A 79 -1.287 -3.325 -18.375 1.00 1.15 C ATOM 1147 NZ LYS A 79 -0.511 -2.186 -17.805 1.00 1.72 N ATOM 0 H LYS A 79 -6.239 -5.741 -15.331 1.00 0.43 H new ATOM 0 HA LYS A 79 -5.216 -6.420 -18.018 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -4.873 -4.210 -16.550 1.00 0.53 H new ATOM 0 HB3 LYS A 79 -3.619 -5.150 -15.765 1.00 0.53 H new ATOM 0 HG2 LYS A 79 -2.433 -5.498 -17.858 1.00 0.60 H new ATOM 0 HG3 LYS A 79 -3.787 -4.909 -18.804 1.00 0.60 H new ATOM 0 HD2 LYS A 79 -3.346 -2.661 -18.307 1.00 1.02 H new ATOM 0 HD3 LYS A 79 -2.666 -3.026 -16.734 1.00 1.02 H new ATOM 0 HE2 LYS A 79 -0.775 -4.265 -18.167 1.00 1.15 H new ATOM 0 HE3 LYS A 79 -1.348 -3.228 -19.459 1.00 1.15 H new ATOM 0 HZ1 LYS A 79 0.443 -2.174 -18.219 1.00 1.72 H new ATOM 0 HZ2 LYS A 79 -0.995 -1.292 -18.025 1.00 1.72 H new ATOM 0 HZ3 LYS A 79 -0.440 -2.296 -16.773 1.00 1.72 H new ATOM 1161 N HIS A 80 -3.877 -7.693 -15.258 1.00 0.47 N ATOM 1162 CA HIS A 80 -3.040 -8.842 -14.779 1.00 0.54 C ATOM 1163 C HIS A 80 -3.941 -10.007 -14.352 1.00 0.55 C ATOM 1164 O HIS A 80 -3.883 -11.081 -14.923 1.00 0.68 O ATOM 1165 CB HIS A 80 -2.178 -8.389 -13.591 1.00 0.55 C ATOM 1166 CG HIS A 80 -1.570 -7.043 -13.888 1.00 0.55 C ATOM 1167 ND1 HIS A 80 -0.623 -6.862 -14.883 1.00 0.61 N ATOM 1168 CD2 HIS A 80 -1.777 -5.802 -13.338 1.00 0.57 C ATOM 1169 CE1 HIS A 80 -0.299 -5.556 -14.902 1.00 0.63 C ATOM 1170 NE2 HIS A 80 -0.974 -4.865 -13.981 1.00 0.60 N ATOM 0 H HIS A 80 -4.202 -7.062 -14.525 1.00 0.47 H new ATOM 0 HA HIS A 80 -2.393 -9.175 -15.590 1.00 0.54 H new ATOM 0 HB2 HIS A 80 -2.787 -8.333 -12.688 1.00 0.55 H new ATOM 0 HB3 HIS A 80 -1.392 -9.120 -13.400 1.00 0.55 H new ATOM 0 HD2 HIS A 80 -2.459 -5.586 -12.529 1.00 0.57 H new ATOM 0 HE1 HIS A 80 0.420 -5.120 -15.580 1.00 0.63 H new ATOM 0 HE2 HIS A 80 -0.914 -3.865 -13.790 1.00 0.60 H new ATOM 1178 N GLY A 81 -4.769 -9.803 -13.352 1.00 0.50 N ATOM 1179 CA GLY A 81 -5.674 -10.896 -12.878 1.00 0.53 C ATOM 1180 C GLY A 81 -5.454 -11.130 -11.381 1.00 0.53 C ATOM 1181 O GLY A 81 -5.488 -10.205 -10.591 1.00 0.68 O ATOM 0 H GLY A 81 -4.855 -8.923 -12.844 1.00 0.50 H new ATOM 0 HA2 GLY A 81 -6.714 -10.628 -13.066 1.00 0.53 H new ATOM 0 HA3 GLY A 81 -5.476 -11.813 -13.433 1.00 0.53 H new ATOM 1185 N SER A 82 -5.233 -12.365 -10.990 1.00 0.47 N ATOM 1186 CA SER A 82 -5.016 -12.675 -9.542 1.00 0.53 C ATOM 1187 C SER A 82 -3.589 -13.204 -9.313 1.00 0.63 C ATOM 1188 O SER A 82 -2.998 -12.965 -8.277 1.00 1.26 O ATOM 1189 CB SER A 82 -6.031 -13.730 -9.092 1.00 0.52 C ATOM 1190 OG SER A 82 -6.336 -13.535 -7.717 1.00 0.64 O ATOM 0 H SER A 82 -5.194 -13.171 -11.614 1.00 0.47 H new ATOM 0 HA SER A 82 -5.148 -11.762 -8.961 1.00 0.53 H new ATOM 0 HB2 SER A 82 -6.939 -13.656 -9.691 1.00 0.52 H new ATOM 0 HB3 SER A 82 -5.626 -14.730 -9.248 1.00 0.52 H new ATOM 0 HG SER A 82 -6.819 -12.690 -7.606 1.00 0.64 H new ATOM 1196 N GLU A 83 -3.034 -13.928 -10.264 1.00 0.57 N ATOM 1197 CA GLU A 83 -1.651 -14.480 -10.087 1.00 0.65 C ATOM 1198 C GLU A 83 -0.612 -13.349 -10.145 1.00 0.56 C ATOM 1199 O GLU A 83 -0.332 -12.803 -11.199 1.00 0.73 O ATOM 1200 CB GLU A 83 -1.365 -15.504 -11.193 1.00 0.92 C ATOM 1201 CG GLU A 83 -1.747 -16.904 -10.703 1.00 1.21 C ATOM 1202 CD GLU A 83 -0.566 -17.531 -9.953 1.00 1.37 C ATOM 1203 OE1 GLU A 83 -0.333 -17.144 -8.819 1.00 1.61 O ATOM 1204 OE2 GLU A 83 0.086 -18.390 -10.526 1.00 1.57 O ATOM 0 H GLU A 83 -3.480 -14.158 -11.152 1.00 0.57 H new ATOM 0 HA GLU A 83 -1.585 -14.965 -9.113 1.00 0.65 H new ATOM 0 HB2 GLU A 83 -1.931 -15.254 -12.090 1.00 0.92 H new ATOM 0 HB3 GLU A 83 -0.310 -15.477 -11.464 1.00 0.92 H new ATOM 0 HG2 GLU A 83 -2.616 -16.846 -10.048 1.00 1.21 H new ATOM 0 HG3 GLU A 83 -2.027 -17.532 -11.549 1.00 1.21 H new ATOM 1211 N LEU A 84 -0.041 -13.002 -9.011 1.00 0.40 N ATOM 1212 CA LEU A 84 0.986 -11.911 -8.970 1.00 0.42 C ATOM 1213 C LEU A 84 2.135 -12.303 -8.022 1.00 0.33 C ATOM 1214 O LEU A 84 2.027 -13.242 -7.251 1.00 0.38 O ATOM 1215 CB LEU A 84 0.332 -10.616 -8.474 1.00 0.50 C ATOM 1216 CG LEU A 84 -0.518 -10.010 -9.596 1.00 0.63 C ATOM 1217 CD1 LEU A 84 -1.880 -9.589 -9.039 1.00 0.95 C ATOM 1218 CD2 LEU A 84 0.194 -8.788 -10.179 1.00 0.56 C ATOM 0 H LEU A 84 -0.245 -13.431 -8.109 1.00 0.40 H new ATOM 0 HA LEU A 84 1.388 -11.760 -9.972 1.00 0.42 H new ATOM 0 HB2 LEU A 84 -0.290 -10.821 -7.602 1.00 0.50 H new ATOM 0 HB3 LEU A 84 1.098 -9.907 -8.160 1.00 0.50 H new ATOM 0 HG LEU A 84 -0.661 -10.754 -10.380 1.00 0.63 H new ATOM 0 HD11 LEU A 84 -2.483 -9.158 -9.839 1.00 0.95 H new ATOM 0 HD12 LEU A 84 -2.390 -10.460 -8.629 1.00 0.95 H new ATOM 0 HD13 LEU A 84 -1.738 -8.848 -8.252 1.00 0.95 H new ATOM 0 HD21 LEU A 84 -0.413 -8.359 -10.977 1.00 0.56 H new ATOM 0 HD22 LEU A 84 0.341 -8.045 -9.396 1.00 0.56 H new ATOM 0 HD23 LEU A 84 1.162 -9.088 -10.581 1.00 0.56 H new ATOM 1230 N ARG A 85 3.235 -11.586 -8.083 1.00 0.43 N ATOM 1231 CA ARG A 85 4.409 -11.897 -7.204 1.00 0.40 C ATOM 1232 C ARG A 85 4.874 -10.617 -6.493 1.00 0.39 C ATOM 1233 O ARG A 85 4.755 -9.531 -7.023 1.00 0.46 O ATOM 1234 CB ARG A 85 5.556 -12.435 -8.071 1.00 0.45 C ATOM 1235 CG ARG A 85 5.963 -13.833 -7.598 1.00 0.51 C ATOM 1236 CD ARG A 85 5.224 -14.895 -8.417 1.00 0.69 C ATOM 1237 NE ARG A 85 4.780 -15.994 -7.510 1.00 1.00 N ATOM 1238 CZ ARG A 85 4.645 -17.216 -7.960 1.00 1.52 C ATOM 1239 NH1 ARG A 85 5.702 -17.972 -8.129 1.00 2.00 N ATOM 1240 NH2 ARG A 85 3.452 -17.685 -8.231 1.00 2.22 N ATOM 0 H ARG A 85 3.370 -10.792 -8.710 1.00 0.43 H new ATOM 0 HA ARG A 85 4.121 -12.641 -6.462 1.00 0.40 H new ATOM 0 HB2 ARG A 85 5.246 -12.472 -9.115 1.00 0.45 H new ATOM 0 HB3 ARG A 85 6.411 -11.761 -8.016 1.00 0.45 H new ATOM 0 HG2 ARG A 85 7.040 -13.963 -7.704 1.00 0.51 H new ATOM 0 HG3 ARG A 85 5.731 -13.950 -6.540 1.00 0.51 H new ATOM 0 HD2 ARG A 85 4.364 -14.451 -8.918 1.00 0.69 H new ATOM 0 HD3 ARG A 85 5.877 -15.291 -9.195 1.00 0.69 H new ATOM 0 HE ARG A 85 4.580 -15.791 -6.531 1.00 1.00 H new ATOM 0 HH11 ARG A 85 6.629 -17.608 -7.910 1.00 2.00 H new ATOM 0 HH12 ARG A 85 5.597 -18.924 -8.480 1.00 2.00 H new ATOM 0 HH21 ARG A 85 2.629 -17.098 -8.091 1.00 2.22 H new ATOM 0 HH22 ARG A 85 3.346 -18.637 -8.582 1.00 2.22 H new ATOM 1254 N LEU A 86 5.411 -10.740 -5.300 1.00 0.39 N ATOM 1255 CA LEU A 86 5.893 -9.530 -4.561 1.00 0.42 C ATOM 1256 C LEU A 86 7.426 -9.487 -4.607 1.00 0.42 C ATOM 1257 O LEU A 86 8.095 -10.406 -4.165 1.00 0.50 O ATOM 1258 CB LEU A 86 5.416 -9.584 -3.107 1.00 0.46 C ATOM 1259 CG LEU A 86 5.245 -8.156 -2.577 1.00 0.55 C ATOM 1260 CD1 LEU A 86 3.992 -8.077 -1.705 1.00 0.62 C ATOM 1261 CD2 LEU A 86 6.472 -7.772 -1.748 1.00 0.81 C ATOM 0 H LEU A 86 5.535 -11.625 -4.808 1.00 0.39 H new ATOM 0 HA LEU A 86 5.490 -8.632 -5.030 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.471 -10.124 -3.042 1.00 0.46 H new ATOM 0 HB3 LEU A 86 6.137 -10.127 -2.496 1.00 0.46 H new ATOM 0 HG LEU A 86 5.142 -7.468 -3.416 1.00 0.55 H new ATOM 0 HD11 LEU A 86 3.873 -7.061 -1.330 1.00 0.62 H new ATOM 0 HD12 LEU A 86 3.119 -8.349 -2.298 1.00 0.62 H new ATOM 0 HD13 LEU A 86 4.089 -8.765 -0.865 1.00 0.62 H new ATOM 0 HD21 LEU A 86 6.353 -6.757 -1.370 1.00 0.81 H new ATOM 0 HD22 LEU A 86 6.575 -8.461 -0.910 1.00 0.81 H new ATOM 0 HD23 LEU A 86 7.364 -7.824 -2.373 1.00 0.81 H new ATOM 1273 N ILE A 87 7.986 -8.426 -5.149 1.00 0.45 N ATOM 1274 CA ILE A 87 9.479 -8.314 -5.244 1.00 0.50 C ATOM 1275 C ILE A 87 9.978 -7.077 -4.478 1.00 0.52 C ATOM 1276 O ILE A 87 9.285 -6.078 -4.398 1.00 0.57 O ATOM 1277 CB ILE A 87 9.895 -8.196 -6.719 1.00 0.52 C ATOM 1278 CG1 ILE A 87 9.133 -7.042 -7.392 1.00 0.54 C ATOM 1279 CG2 ILE A 87 9.580 -9.503 -7.449 1.00 0.58 C ATOM 1280 CD1 ILE A 87 10.047 -6.340 -8.398 1.00 0.75 C ATOM 0 H ILE A 87 7.471 -7.632 -5.530 1.00 0.45 H new ATOM 0 HA ILE A 87 9.922 -9.207 -4.803 1.00 0.50 H new ATOM 0 HB ILE A 87 10.966 -7.997 -6.768 1.00 0.52 H new ATOM 0 HG12 ILE A 87 8.246 -7.424 -7.897 1.00 0.54 H new ATOM 0 HG13 ILE A 87 8.790 -6.332 -6.640 1.00 0.54 H new ATOM 0 HG21 ILE A 87 9.876 -9.416 -8.494 1.00 0.58 H new ATOM 0 HG22 ILE A 87 10.129 -10.321 -6.983 1.00 0.58 H new ATOM 0 HG23 ILE A 87 8.510 -9.704 -7.390 1.00 0.58 H new ATOM 0 HD11 ILE A 87 9.505 -5.523 -8.874 1.00 0.75 H new ATOM 0 HD12 ILE A 87 10.921 -5.943 -7.881 1.00 0.75 H new ATOM 0 HD13 ILE A 87 10.368 -7.053 -9.157 1.00 0.75 H new ATOM 1292 N PRO A 88 11.181 -7.182 -3.949 1.00 0.57 N ATOM 1293 CA PRO A 88 11.824 -6.086 -3.197 1.00 0.63 C ATOM 1294 C PRO A 88 12.403 -5.044 -4.171 1.00 0.71 C ATOM 1295 O PRO A 88 13.576 -5.071 -4.506 1.00 1.06 O ATOM 1296 CB PRO A 88 12.935 -6.792 -2.409 1.00 0.78 C ATOM 1297 CG PRO A 88 13.240 -8.106 -3.169 1.00 0.84 C ATOM 1298 CD PRO A 88 12.010 -8.406 -4.048 1.00 0.68 C ATOM 0 HA PRO A 88 11.137 -5.543 -2.548 1.00 0.63 H new ATOM 0 HB2 PRO A 88 13.824 -6.165 -2.344 1.00 0.78 H new ATOM 0 HB3 PRO A 88 12.616 -6.999 -1.388 1.00 0.78 H new ATOM 0 HG2 PRO A 88 14.136 -8.000 -3.781 1.00 0.84 H new ATOM 0 HG3 PRO A 88 13.425 -8.923 -2.471 1.00 0.84 H new ATOM 0 HD2 PRO A 88 12.298 -8.609 -5.079 1.00 0.68 H new ATOM 0 HD3 PRO A 88 11.470 -9.282 -3.690 1.00 0.68 H new ATOM 1306 N ARG A 89 11.578 -4.131 -4.630 1.00 0.95 N ATOM 1307 CA ARG A 89 12.051 -3.080 -5.581 1.00 1.05 C ATOM 1308 C ARG A 89 12.483 -1.842 -4.780 1.00 0.88 C ATOM 1309 O ARG A 89 11.658 -1.094 -4.285 1.00 1.18 O ATOM 1310 CB ARG A 89 10.904 -2.719 -6.539 1.00 1.47 C ATOM 1311 CG ARG A 89 11.450 -1.972 -7.760 1.00 1.71 C ATOM 1312 CD ARG A 89 10.336 -1.126 -8.391 1.00 2.20 C ATOM 1313 NE ARG A 89 10.113 0.105 -7.575 1.00 2.34 N ATOM 1314 CZ ARG A 89 8.908 0.598 -7.446 1.00 2.61 C ATOM 1315 NH1 ARG A 89 8.128 0.172 -6.484 1.00 3.12 N ATOM 1316 NH2 ARG A 89 8.486 1.521 -8.273 1.00 2.86 N ATOM 0 H ARG A 89 10.590 -4.071 -4.383 1.00 0.95 H new ATOM 0 HA ARG A 89 12.898 -3.446 -6.161 1.00 1.05 H new ATOM 0 HB2 ARG A 89 10.388 -3.625 -6.858 1.00 1.47 H new ATOM 0 HB3 ARG A 89 10.170 -2.100 -6.023 1.00 1.47 H new ATOM 0 HG2 ARG A 89 12.282 -1.333 -7.465 1.00 1.71 H new ATOM 0 HG3 ARG A 89 11.837 -2.683 -8.490 1.00 1.71 H new ATOM 0 HD2 ARG A 89 10.607 -0.853 -9.411 1.00 2.20 H new ATOM 0 HD3 ARG A 89 9.415 -1.706 -8.450 1.00 2.20 H new ATOM 0 HE ARG A 89 10.902 0.562 -7.117 1.00 2.34 H new ATOM 0 HH11 ARG A 89 8.460 -0.543 -5.837 1.00 3.12 H new ATOM 0 HH12 ARG A 89 7.188 0.555 -6.382 1.00 3.12 H new ATOM 0 HH21 ARG A 89 9.097 1.856 -9.018 1.00 2.86 H new ATOM 0 HH22 ARG A 89 7.546 1.905 -8.172 1.00 2.86 H new ATOM 1330 N ASP A 90 13.773 -1.630 -4.642 1.00 0.86 N ATOM 1331 CA ASP A 90 14.270 -0.450 -3.867 1.00 0.83 C ATOM 1332 C ASP A 90 14.413 0.754 -4.804 1.00 0.80 C ATOM 1333 O ASP A 90 15.256 0.769 -5.685 1.00 0.96 O ATOM 1334 CB ASP A 90 15.632 -0.784 -3.242 1.00 1.02 C ATOM 1335 CG ASP A 90 15.434 -1.231 -1.789 1.00 1.49 C ATOM 1336 OD1 ASP A 90 15.254 -2.420 -1.575 1.00 1.77 O ATOM 1337 OD2 ASP A 90 15.466 -0.379 -0.914 1.00 1.94 O ATOM 0 H ASP A 90 14.502 -2.226 -5.034 1.00 0.86 H new ATOM 0 HA ASP A 90 13.560 -0.209 -3.076 1.00 0.83 H new ATOM 0 HB2 ASP A 90 16.122 -1.573 -3.813 1.00 1.02 H new ATOM 0 HB3 ASP A 90 16.285 0.088 -3.279 1.00 1.02 H new ATOM 1342 N ARG A 91 13.592 1.761 -4.617 1.00 0.98 N ATOM 1343 CA ARG A 91 13.666 2.975 -5.490 1.00 1.11 C ATOM 1344 C ARG A 91 13.748 4.239 -4.622 1.00 1.56 C ATOM 1345 O ARG A 91 13.232 4.277 -3.517 1.00 1.98 O ATOM 1346 CB ARG A 91 12.424 3.047 -6.387 1.00 1.39 C ATOM 1347 CG ARG A 91 11.151 3.003 -5.532 1.00 1.90 C ATOM 1348 CD ARG A 91 10.019 3.727 -6.265 1.00 2.30 C ATOM 1349 NE ARG A 91 9.124 4.399 -5.274 1.00 2.20 N ATOM 1350 CZ ARG A 91 7.914 3.939 -5.061 1.00 2.54 C ATOM 1351 NH1 ARG A 91 7.134 3.634 -6.070 1.00 3.24 N ATOM 1352 NH2 ARG A 91 7.479 3.791 -3.832 1.00 2.66 N ATOM 0 H ARG A 91 12.872 1.794 -3.895 1.00 0.98 H new ATOM 0 HA ARG A 91 14.558 2.909 -6.114 1.00 1.11 H new ATOM 0 HB2 ARG A 91 12.444 3.964 -6.976 1.00 1.39 H new ATOM 0 HB3 ARG A 91 12.427 2.216 -7.092 1.00 1.39 H new ATOM 0 HG2 ARG A 91 10.868 1.969 -5.335 1.00 1.90 H new ATOM 0 HG3 ARG A 91 11.333 3.474 -4.566 1.00 1.90 H new ATOM 0 HD2 ARG A 91 10.432 4.464 -6.954 1.00 2.30 H new ATOM 0 HD3 ARG A 91 9.447 3.017 -6.862 1.00 2.30 H new ATOM 0 HE ARG A 91 9.455 5.217 -4.762 1.00 2.20 H new ATOM 0 HH11 ARG A 91 7.467 3.754 -7.027 1.00 3.24 H new ATOM 0 HH12 ARG A 91 6.194 3.277 -5.898 1.00 3.24 H new ATOM 0 HH21 ARG A 91 8.081 4.033 -3.045 1.00 2.66 H new ATOM 0 HH22 ARG A 91 6.539 3.434 -3.663 1.00 2.66 H new ATOM 1366 N VAL A 92 14.394 5.271 -5.125 1.00 1.67 N ATOM 1367 CA VAL A 92 14.532 6.552 -4.359 1.00 2.18 C ATOM 1368 C VAL A 92 15.213 6.276 -3.009 1.00 2.56 C ATOM 1369 O VAL A 92 14.556 6.006 -2.017 1.00 2.81 O ATOM 1370 CB VAL A 92 13.144 7.179 -4.135 1.00 2.49 C ATOM 1371 CG1 VAL A 92 13.280 8.467 -3.319 1.00 3.02 C ATOM 1372 CG2 VAL A 92 12.511 7.513 -5.488 1.00 2.37 C ATOM 0 H VAL A 92 14.835 5.277 -6.045 1.00 1.67 H new ATOM 0 HA VAL A 92 15.145 7.250 -4.930 1.00 2.18 H new ATOM 0 HB VAL A 92 12.517 6.470 -3.595 1.00 2.49 H new ATOM 0 HG11 VAL A 92 12.294 8.905 -3.164 1.00 3.02 H new ATOM 0 HG12 VAL A 92 13.732 8.240 -2.353 1.00 3.02 H new ATOM 0 HG13 VAL A 92 13.911 9.174 -3.858 1.00 3.02 H new ATOM 0 HG21 VAL A 92 11.528 7.957 -5.330 1.00 2.37 H new ATOM 0 HG22 VAL A 92 13.146 8.219 -6.023 1.00 2.37 H new ATOM 0 HG23 VAL A 92 12.407 6.601 -6.076 1.00 2.37 H new ATOM 1382 N GLY A 93 16.528 6.339 -2.972 1.00 2.81 N ATOM 1383 CA GLY A 93 17.269 6.084 -1.695 1.00 3.35 C ATOM 1384 C GLY A 93 16.759 7.038 -0.613 1.00 3.97 C ATOM 1385 O GLY A 93 17.134 8.196 -0.575 1.00 4.38 O ATOM 0 H GLY A 93 17.118 6.557 -3.775 1.00 2.81 H new ATOM 0 HA2 GLY A 93 17.128 5.050 -1.380 1.00 3.35 H new ATOM 0 HA3 GLY A 93 18.339 6.228 -1.847 1.00 3.35 H new ATOM 1389 N HIS A 94 15.892 6.552 0.254 1.00 4.16 N ATOM 1390 CA HIS A 94 15.312 7.400 1.344 1.00 4.86 C ATOM 1391 C HIS A 94 14.246 8.340 0.754 1.00 5.11 C ATOM 1392 O HIS A 94 13.102 8.224 1.160 1.00 5.44 O ATOM 1393 CB HIS A 94 16.413 8.221 2.032 1.00 5.30 C ATOM 1394 CG HIS A 94 15.961 8.598 3.415 1.00 5.95 C ATOM 1395 ND1 HIS A 94 16.221 7.801 4.519 1.00 6.12 N ATOM 1396 CD2 HIS A 94 15.260 9.680 3.887 1.00 6.57 C ATOM 1397 CE1 HIS A 94 15.683 8.412 5.592 1.00 6.75 C ATOM 1398 NE2 HIS A 94 15.087 9.561 5.263 1.00 7.05 N ATOM 1399 OXT HIS A 94 14.585 9.154 -0.094 1.00 5.07 O ATOM 0 H HIS A 94 15.560 5.588 0.248 1.00 4.16 H new ATOM 0 HA HIS A 94 14.851 6.750 2.088 1.00 4.86 H new ATOM 0 HB2 HIS A 94 17.335 7.643 2.084 1.00 5.30 H new ATOM 0 HB3 HIS A 94 16.631 9.117 1.451 1.00 5.30 H new ATOM 0 HD2 HIS A 94 14.898 10.499 3.283 1.00 6.57 H new ATOM 0 HE1 HIS A 94 15.728 8.020 6.597 1.00 6.75 H new ATOM 0 HE2 HIS A 94 14.608 10.211 5.886 1.00 7.05 H new TER 1407 HIS A 94