USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 439 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 9 SER OG : rot -94:sc= 0.395 USER MOD Set 1.2: A 11 HIS : no HD1:sc= 0.317 K(o=0.71,f=-0.004) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00937 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 0.195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=-0.00922 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.1) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 27 TYR OH : rot -119:sc= 1.86 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.499 K(o=-0.5,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -179:sc= -1.45 (180deg=-1.45) USER MOD Single : A 43 MET CE :methyl 168:sc= -1.3 (180deg=-2.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 50 ASN : amide:sc= -3.65! C(o=-3.6!,f=-6.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 63 THR OG1 : rot 47:sc= 0.441 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.084 2.045 1.115 1.00 0.00 N ATOM 2 CA GLY A 1 14.563 2.085 -0.239 1.00 0.00 C ATOM 3 C GLY A 1 14.352 3.501 -0.737 1.00 0.00 C ATOM 4 O GLY A 1 13.223 3.992 -0.772 1.00 0.00 O ATOM 0 H1 GLY A 1 15.211 1.056 1.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.000 2.536 1.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.415 2.514 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.253 1.568 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.617 1.545 -0.277 1.00 0.00 H new ATOM 8 N SER A 2 15.440 4.161 -1.122 1.00 0.00 N ATOM 9 CA SER A 2 15.369 5.531 -1.615 1.00 0.00 C ATOM 10 C SER A 2 14.760 5.574 -3.013 1.00 0.00 C ATOM 11 O SER A 2 14.584 4.541 -3.658 1.00 0.00 O ATOM 12 CB SER A 2 16.762 6.162 -1.632 1.00 0.00 C ATOM 13 OG SER A 2 16.683 7.569 -1.783 1.00 0.00 O ATOM 0 H SER A 2 16.381 3.769 -1.102 1.00 0.00 H new ATOM 0 HA SER A 2 14.729 6.101 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.285 5.921 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.347 5.738 -2.448 1.00 0.00 H new ATOM 0 HG SER A 2 17.586 7.949 -1.789 1.00 0.00 H new ATOM 19 N SER A 3 14.441 6.779 -3.476 1.00 0.00 N ATOM 20 CA SER A 3 13.849 6.958 -4.796 1.00 0.00 C ATOM 21 C SER A 3 14.778 7.759 -5.704 1.00 0.00 C ATOM 22 O SER A 3 15.669 8.464 -5.233 1.00 0.00 O ATOM 23 CB SER A 3 12.497 7.665 -4.680 1.00 0.00 C ATOM 24 OG SER A 3 12.641 8.949 -4.098 1.00 0.00 O ATOM 0 H SER A 3 14.583 7.645 -2.956 1.00 0.00 H new ATOM 0 HA SER A 3 13.699 5.972 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.046 7.759 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.819 7.062 -4.076 1.00 0.00 H new ATOM 0 HG SER A 3 11.763 9.381 -4.037 1.00 0.00 H new ATOM 30 N GLY A 4 14.562 7.643 -7.011 1.00 0.00 N ATOM 31 CA GLY A 4 15.387 8.361 -7.965 1.00 0.00 C ATOM 32 C GLY A 4 14.586 9.335 -8.807 1.00 0.00 C ATOM 33 O GLY A 4 14.135 10.368 -8.312 1.00 0.00 O ATOM 0 H GLY A 4 13.831 7.065 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.167 8.904 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.887 7.646 -8.619 1.00 0.00 H new ATOM 37 N SER A 5 14.411 9.008 -10.083 1.00 0.00 N ATOM 38 CA SER A 5 13.665 9.864 -10.996 1.00 0.00 C ATOM 39 C SER A 5 12.197 9.945 -10.588 1.00 0.00 C ATOM 40 O SER A 5 11.507 8.928 -10.509 1.00 0.00 O ATOM 41 CB SER A 5 13.780 9.341 -12.429 1.00 0.00 C ATOM 42 OG SER A 5 13.378 7.984 -12.510 1.00 0.00 O ATOM 0 H SER A 5 14.776 8.156 -10.508 1.00 0.00 H new ATOM 0 HA SER A 5 14.093 10.865 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.162 9.947 -13.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.809 9.440 -12.774 1.00 0.00 H new ATOM 0 HG SER A 5 12.616 7.832 -11.913 1.00 0.00 H new ATOM 48 N SER A 6 11.726 11.161 -10.331 1.00 0.00 N ATOM 49 CA SER A 6 10.342 11.375 -9.927 1.00 0.00 C ATOM 50 C SER A 6 9.840 12.734 -10.406 1.00 0.00 C ATOM 51 O SER A 6 10.615 13.560 -10.887 1.00 0.00 O ATOM 52 CB SER A 6 10.211 11.277 -8.406 1.00 0.00 C ATOM 53 OG SER A 6 10.522 9.972 -7.950 1.00 0.00 O ATOM 0 H SER A 6 12.283 12.013 -10.395 1.00 0.00 H new ATOM 0 HA SER A 6 9.731 10.599 -10.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.877 11.999 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.195 11.537 -8.108 1.00 0.00 H new ATOM 0 HG SER A 6 10.432 9.936 -6.975 1.00 0.00 H new ATOM 59 N GLY A 7 8.537 12.959 -10.269 1.00 0.00 N ATOM 60 CA GLY A 7 7.953 14.219 -10.692 1.00 0.00 C ATOM 61 C GLY A 7 6.977 14.776 -9.674 1.00 0.00 C ATOM 62 O GLY A 7 6.995 14.385 -8.508 1.00 0.00 O ATOM 0 H GLY A 7 7.875 12.292 -9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.748 14.945 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.440 14.077 -11.643 1.00 0.00 H new ATOM 66 N GLY A 8 6.122 15.693 -10.117 1.00 0.00 N ATOM 67 CA GLY A 8 5.148 16.291 -9.223 1.00 0.00 C ATOM 68 C GLY A 8 4.124 17.132 -9.961 1.00 0.00 C ATOM 69 O GLY A 8 4.048 17.094 -11.189 1.00 0.00 O ATOM 0 H GLY A 8 6.087 16.032 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.636 15.504 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.664 16.912 -8.491 1.00 0.00 H new ATOM 73 N SER A 9 3.334 17.892 -9.210 1.00 0.00 N ATOM 74 CA SER A 9 2.306 18.742 -9.800 1.00 0.00 C ATOM 75 C SER A 9 1.632 19.599 -8.733 1.00 0.00 C ATOM 76 O SER A 9 1.274 19.110 -7.662 1.00 0.00 O ATOM 77 CB SER A 9 1.260 17.888 -10.520 1.00 0.00 C ATOM 78 OG SER A 9 0.606 18.631 -11.535 1.00 0.00 O ATOM 0 H SER A 9 3.386 17.937 -8.192 1.00 0.00 H new ATOM 0 HA SER A 9 2.786 19.402 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.739 17.012 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.526 17.524 -9.801 1.00 0.00 H new ATOM 0 HG SER A 9 -0.222 19.014 -11.178 1.00 0.00 H new ATOM 84 N GLY A 10 1.461 20.883 -9.035 1.00 0.00 N ATOM 85 CA GLY A 10 0.831 21.789 -8.093 1.00 0.00 C ATOM 86 C GLY A 10 -0.470 21.240 -7.542 1.00 0.00 C ATOM 87 O GLY A 10 -0.467 20.409 -6.634 1.00 0.00 O ATOM 0 H GLY A 10 1.748 21.311 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.517 21.986 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.640 22.743 -8.584 1.00 0.00 H new ATOM 91 N HIS A 11 -1.587 21.708 -8.091 1.00 0.00 N ATOM 92 CA HIS A 11 -2.902 21.259 -7.648 1.00 0.00 C ATOM 93 C HIS A 11 -2.920 21.033 -6.140 1.00 0.00 C ATOM 94 O HIS A 11 -3.483 20.051 -5.655 1.00 0.00 O ATOM 95 CB HIS A 11 -3.296 19.971 -8.373 1.00 0.00 C ATOM 96 CG HIS A 11 -3.304 20.102 -9.865 1.00 0.00 C ATOM 97 ND1 HIS A 11 -2.196 19.856 -10.648 1.00 0.00 N ATOM 98 CD2 HIS A 11 -4.294 20.455 -10.718 1.00 0.00 C ATOM 99 CE1 HIS A 11 -2.504 20.053 -11.918 1.00 0.00 C ATOM 100 NE2 HIS A 11 -3.772 20.417 -11.987 1.00 0.00 N ATOM 0 H HIS A 11 -1.607 22.397 -8.843 1.00 0.00 H new ATOM 0 HA HIS A 11 -3.624 22.039 -7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.604 19.178 -8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -4.287 19.664 -8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -5.307 20.718 -10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.833 19.936 -12.756 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.281 20.634 -12.844 1.00 0.00 H new ATOM 109 N PHE A 12 -2.299 21.948 -5.402 1.00 0.00 N ATOM 110 CA PHE A 12 -2.242 21.847 -3.948 1.00 0.00 C ATOM 111 C PHE A 12 -3.642 21.713 -3.357 1.00 0.00 C ATOM 112 O PHE A 12 -4.535 22.503 -3.662 1.00 0.00 O ATOM 113 CB PHE A 12 -1.543 23.074 -3.358 1.00 0.00 C ATOM 114 CG PHE A 12 -2.106 24.378 -3.847 1.00 0.00 C ATOM 115 CD1 PHE A 12 -3.255 24.906 -3.281 1.00 0.00 C ATOM 116 CD2 PHE A 12 -1.486 25.075 -4.871 1.00 0.00 C ATOM 117 CE1 PHE A 12 -3.775 26.106 -3.730 1.00 0.00 C ATOM 118 CE2 PHE A 12 -2.001 26.275 -5.323 1.00 0.00 C ATOM 119 CZ PHE A 12 -3.147 26.791 -4.751 1.00 0.00 C ATOM 0 H PHE A 12 -1.829 22.767 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.672 20.954 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.620 23.039 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.482 23.031 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.750 24.375 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.589 24.676 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.672 26.507 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.508 26.808 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.551 27.729 -5.102 1.00 0.00 H new ATOM 129 N ARG A 13 -3.826 20.705 -2.510 1.00 0.00 N ATOM 130 CA ARG A 13 -5.117 20.465 -1.877 1.00 0.00 C ATOM 131 C ARG A 13 -4.958 19.601 -0.629 1.00 0.00 C ATOM 132 O ARG A 13 -4.077 18.742 -0.564 1.00 0.00 O ATOM 133 CB ARG A 13 -6.073 19.788 -2.860 1.00 0.00 C ATOM 134 CG ARG A 13 -6.885 20.767 -3.692 1.00 0.00 C ATOM 135 CD ARG A 13 -7.963 20.056 -4.495 1.00 0.00 C ATOM 136 NE ARG A 13 -8.575 20.935 -5.489 1.00 0.00 N ATOM 137 CZ ARG A 13 -9.425 21.909 -5.185 1.00 0.00 C ATOM 138 NH1 ARG A 13 -9.763 22.128 -3.921 1.00 0.00 N ATOM 139 NH2 ARG A 13 -9.939 22.666 -6.145 1.00 0.00 N ATOM 0 H ARG A 13 -3.097 20.042 -2.247 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.533 21.428 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.499 19.146 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.755 19.143 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.346 21.507 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.223 21.308 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.530 19.189 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.732 19.683 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.336 20.793 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.370 21.548 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.416 22.877 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.682 22.500 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.592 23.414 -5.910 1.00 0.00 H new ATOM 153 N CYS A 14 -5.815 19.834 0.359 1.00 0.00 N ATOM 154 CA CYS A 14 -5.769 19.078 1.605 1.00 0.00 C ATOM 155 C CYS A 14 -6.955 18.124 1.707 1.00 0.00 C ATOM 156 O CYS A 14 -8.108 18.535 1.576 1.00 0.00 O ATOM 157 CB CYS A 14 -5.761 20.030 2.803 1.00 0.00 C ATOM 158 SG CYS A 14 -4.210 20.935 3.015 1.00 0.00 S ATOM 0 H CYS A 14 -6.550 20.540 0.321 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.851 18.490 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.575 20.746 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.963 19.459 3.709 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.301 21.715 4.051 1.00 0.00 H new ATOM 164 N ASP A 15 -6.663 16.849 1.938 1.00 0.00 N ATOM 165 CA ASP A 15 -7.705 15.836 2.056 1.00 0.00 C ATOM 166 C ASP A 15 -7.858 15.380 3.504 1.00 0.00 C ATOM 167 O ASP A 15 -7.095 14.543 3.985 1.00 0.00 O ATOM 168 CB ASP A 15 -7.384 14.637 1.162 1.00 0.00 C ATOM 169 CG ASP A 15 -7.921 14.805 -0.246 1.00 0.00 C ATOM 170 OD1 ASP A 15 -7.421 15.690 -0.970 1.00 0.00 O ATOM 171 OD2 ASP A 15 -8.843 14.051 -0.624 1.00 0.00 O ATOM 0 H ASP A 15 -5.714 16.492 2.047 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.647 16.279 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.304 14.496 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.807 13.735 1.604 1.00 0.00 H new ATOM 176 N SER A 16 -8.849 15.937 4.193 1.00 0.00 N ATOM 177 CA SER A 16 -9.099 15.591 5.587 1.00 0.00 C ATOM 178 C SER A 16 -9.616 14.161 5.708 1.00 0.00 C ATOM 179 O SER A 16 -9.188 13.406 6.580 1.00 0.00 O ATOM 180 CB SER A 16 -10.108 16.563 6.202 1.00 0.00 C ATOM 181 OG SER A 16 -11.345 16.519 5.513 1.00 0.00 O ATOM 0 H SER A 16 -9.492 16.630 3.808 1.00 0.00 H new ATOM 0 HA SER A 16 -8.156 15.665 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.264 16.314 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.707 17.576 6.171 1.00 0.00 H new ATOM 0 HG SER A 16 -11.972 17.148 5.927 1.00 0.00 H new ATOM 187 N SER A 17 -10.540 13.795 4.825 1.00 0.00 N ATOM 188 CA SER A 17 -11.119 12.457 4.833 1.00 0.00 C ATOM 189 C SER A 17 -10.040 11.397 4.636 1.00 0.00 C ATOM 190 O SER A 17 -9.388 11.346 3.593 1.00 0.00 O ATOM 191 CB SER A 17 -12.181 12.331 3.739 1.00 0.00 C ATOM 192 OG SER A 17 -13.149 11.353 4.078 1.00 0.00 O ATOM 0 H SER A 17 -10.904 14.407 4.095 1.00 0.00 H new ATOM 0 HA SER A 17 -11.588 12.297 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 17 -12.669 13.294 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.705 12.065 2.795 1.00 0.00 H new ATOM 0 HG SER A 17 -13.817 11.293 3.364 1.00 0.00 H new ATOM 198 N ARG A 18 -9.858 10.552 5.646 1.00 0.00 N ATOM 199 CA ARG A 18 -8.858 9.493 5.585 1.00 0.00 C ATOM 200 C ARG A 18 -9.521 8.127 5.433 1.00 0.00 C ATOM 201 O ARG A 18 -9.619 7.364 6.393 1.00 0.00 O ATOM 202 CB ARG A 18 -7.987 9.512 6.843 1.00 0.00 C ATOM 203 CG ARG A 18 -7.242 10.821 7.048 1.00 0.00 C ATOM 204 CD ARG A 18 -6.256 10.726 8.202 1.00 0.00 C ATOM 205 NE ARG A 18 -5.380 11.892 8.271 1.00 0.00 N ATOM 206 CZ ARG A 18 -5.793 13.100 8.640 1.00 0.00 C ATOM 207 NH1 ARG A 18 -7.062 13.299 8.970 1.00 0.00 N ATOM 208 NH2 ARG A 18 -4.936 14.112 8.678 1.00 0.00 N ATOM 0 H ARG A 18 -10.390 10.580 6.516 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.229 9.671 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.616 9.321 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.265 8.698 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.710 11.085 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.956 11.621 7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.804 10.628 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.652 9.825 8.090 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.398 11.773 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.724 12.524 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.376 14.227 9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.959 13.963 8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.254 15.039 8.961 1.00 0.00 H new ATOM 222 N TRP A 19 -9.974 7.827 4.221 1.00 0.00 N ATOM 223 CA TRP A 19 -10.628 6.554 3.944 1.00 0.00 C ATOM 224 C TRP A 19 -10.458 6.162 2.480 1.00 0.00 C ATOM 225 O TRP A 19 -10.230 7.014 1.621 1.00 0.00 O ATOM 226 CB TRP A 19 -12.115 6.633 4.294 1.00 0.00 C ATOM 227 CG TRP A 19 -12.370 7.071 5.704 1.00 0.00 C ATOM 228 CD1 TRP A 19 -12.177 8.319 6.223 1.00 0.00 C ATOM 229 CD2 TRP A 19 -12.863 6.261 6.777 1.00 0.00 C ATOM 230 NE1 TRP A 19 -12.521 8.334 7.553 1.00 0.00 N ATOM 231 CE2 TRP A 19 -12.946 7.084 7.917 1.00 0.00 C ATOM 232 CE3 TRP A 19 -13.246 4.921 6.884 1.00 0.00 C ATOM 233 CZ2 TRP A 19 -13.393 6.609 9.147 1.00 0.00 C ATOM 234 CZ3 TRP A 19 -13.689 4.451 8.106 1.00 0.00 C ATOM 235 CH2 TRP A 19 -13.761 5.293 9.224 1.00 0.00 C ATOM 0 H TRP A 19 -9.900 8.448 3.415 1.00 0.00 H new ATOM 0 HA TRP A 19 -10.157 5.790 4.563 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -12.605 7.327 3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -12.571 5.655 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -11.808 9.170 5.669 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -12.468 9.145 8.170 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -13.197 4.265 6.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -13.447 7.256 10.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -13.985 3.417 8.201 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -14.114 4.896 10.164 1.00 0.00 H new ATOM 246 N CYS A 20 -10.570 4.867 2.201 1.00 0.00 N ATOM 247 CA CYS A 20 -10.429 4.362 0.841 1.00 0.00 C ATOM 248 C CYS A 20 -11.794 4.066 0.226 1.00 0.00 C ATOM 249 O CYS A 20 -12.694 3.563 0.899 1.00 0.00 O ATOM 250 CB CYS A 20 -9.568 3.098 0.831 1.00 0.00 C ATOM 251 SG CYS A 20 -7.845 3.367 1.357 1.00 0.00 S ATOM 0 H CYS A 20 -10.758 4.148 2.900 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.940 5.131 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.024 2.355 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.568 2.679 -0.175 1.00 0.00 H new ATOM 256 N HIS A 21 -11.940 4.383 -1.057 1.00 0.00 N ATOM 257 CA HIS A 21 -13.195 4.150 -1.763 1.00 0.00 C ATOM 258 C HIS A 21 -13.002 3.146 -2.896 1.00 0.00 C ATOM 259 O HIS A 21 -13.381 3.405 -4.039 1.00 0.00 O ATOM 260 CB HIS A 21 -13.743 5.465 -2.319 1.00 0.00 C ATOM 261 CG HIS A 21 -15.163 5.372 -2.786 1.00 0.00 C ATOM 262 ND1 HIS A 21 -16.158 4.763 -2.052 1.00 0.00 N ATOM 263 CD2 HIS A 21 -15.753 5.817 -3.920 1.00 0.00 C ATOM 264 CE1 HIS A 21 -17.299 4.835 -2.715 1.00 0.00 C ATOM 265 NE2 HIS A 21 -17.080 5.471 -3.852 1.00 0.00 N ATOM 0 H HIS A 21 -11.206 4.801 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.912 3.737 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.672 6.233 -1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.116 5.788 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.270 6.346 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -18.248 4.441 -2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.782 5.672 -4.564 1.00 0.00 H new ATOM 274 N ASP A 22 -12.411 2.002 -2.571 1.00 0.00 N ATOM 275 CA ASP A 22 -12.169 0.959 -3.562 1.00 0.00 C ATOM 276 C ASP A 22 -13.447 0.181 -3.856 1.00 0.00 C ATOM 277 O ASP A 22 -13.925 0.160 -4.989 1.00 0.00 O ATOM 278 CB ASP A 22 -11.078 0.005 -3.072 1.00 0.00 C ATOM 279 CG ASP A 22 -11.331 -0.489 -1.661 1.00 0.00 C ATOM 280 OD1 ASP A 22 -11.020 0.256 -0.708 1.00 0.00 O ATOM 281 OD2 ASP A 22 -11.840 -1.619 -1.510 1.00 0.00 O ATOM 0 H ASP A 22 -12.091 1.773 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.837 1.437 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.016 -0.849 -3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.113 0.511 -3.109 1.00 0.00 H new ATOM 286 N ASN A 23 -13.996 -0.458 -2.827 1.00 0.00 N ATOM 287 CA ASN A 23 -15.218 -1.239 -2.976 1.00 0.00 C ATOM 288 C ASN A 23 -16.262 -0.817 -1.947 1.00 0.00 C ATOM 289 O ASN A 23 -16.835 -1.653 -1.250 1.00 0.00 O ATOM 290 CB ASN A 23 -14.916 -2.731 -2.830 1.00 0.00 C ATOM 291 CG ASN A 23 -13.522 -3.089 -3.310 1.00 0.00 C ATOM 292 OD1 ASN A 23 -12.758 -3.741 -2.599 1.00 0.00 O ATOM 293 ND2 ASN A 23 -13.186 -2.661 -4.521 1.00 0.00 N ATOM 0 H ASN A 23 -13.613 -0.450 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.619 -1.053 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.022 -3.020 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.650 -3.305 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.261 -2.870 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.853 -2.123 -5.075 1.00 0.00 H new ATOM 300 N GLY A 24 -16.504 0.488 -1.858 1.00 0.00 N ATOM 301 CA GLY A 24 -17.479 0.999 -0.912 1.00 0.00 C ATOM 302 C GLY A 24 -17.223 0.516 0.502 1.00 0.00 C ATOM 303 O GLY A 24 -18.154 0.374 1.295 1.00 0.00 O ATOM 0 H GLY A 24 -16.042 1.200 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.461 2.089 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.478 0.692 -1.222 1.00 0.00 H new ATOM 307 N VAL A 25 -15.958 0.260 0.818 1.00 0.00 N ATOM 308 CA VAL A 25 -15.582 -0.211 2.146 1.00 0.00 C ATOM 309 C VAL A 25 -14.971 0.913 2.975 1.00 0.00 C ATOM 310 O VAL A 25 -14.374 1.843 2.434 1.00 0.00 O ATOM 311 CB VAL A 25 -14.580 -1.378 2.064 1.00 0.00 C ATOM 312 CG1 VAL A 25 -14.349 -1.981 3.442 1.00 0.00 C ATOM 313 CG2 VAL A 25 -15.071 -2.435 1.087 1.00 0.00 C ATOM 0 H VAL A 25 -15.176 0.371 0.173 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.495 -0.559 2.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.629 -0.992 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.638 -2.804 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.950 -1.218 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.293 -2.353 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.350 -3.252 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.035 -2.819 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.180 -1.993 0.097 1.00 0.00 H new ATOM 323 N ASN A 26 -15.123 0.819 4.292 1.00 0.00 N ATOM 324 CA ASN A 26 -14.586 1.829 5.197 1.00 0.00 C ATOM 325 C ASN A 26 -13.345 1.309 5.917 1.00 0.00 C ATOM 326 O ASN A 26 -13.397 0.974 7.101 1.00 0.00 O ATOM 327 CB ASN A 26 -15.646 2.244 6.219 1.00 0.00 C ATOM 328 CG ASN A 26 -17.030 2.344 5.607 1.00 0.00 C ATOM 329 OD1 ASN A 26 -17.761 1.356 5.533 1.00 0.00 O ATOM 330 ND2 ASN A 26 -17.396 3.542 5.165 1.00 0.00 N ATOM 0 H ASN A 26 -15.613 0.054 4.756 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.303 2.699 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.664 1.521 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.373 3.206 6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.316 3.671 4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.757 4.333 5.247 1.00 0.00 H new ATOM 337 N TYR A 27 -12.232 1.245 5.195 1.00 0.00 N ATOM 338 CA TYR A 27 -10.979 0.764 5.764 1.00 0.00 C ATOM 339 C TYR A 27 -10.333 1.833 6.641 1.00 0.00 C ATOM 340 O TYR A 27 -10.891 2.913 6.837 1.00 0.00 O ATOM 341 CB TYR A 27 -10.014 0.352 4.651 1.00 0.00 C ATOM 342 CG TYR A 27 -10.539 -0.766 3.778 1.00 0.00 C ATOM 343 CD1 TYR A 27 -11.051 -1.930 4.339 1.00 0.00 C ATOM 344 CD2 TYR A 27 -10.524 -0.657 2.393 1.00 0.00 C ATOM 345 CE1 TYR A 27 -11.531 -2.954 3.545 1.00 0.00 C ATOM 346 CE2 TYR A 27 -11.004 -1.676 1.592 1.00 0.00 C ATOM 347 CZ TYR A 27 -11.505 -2.822 2.172 1.00 0.00 C ATOM 348 OH TYR A 27 -11.984 -3.839 1.378 1.00 0.00 O ATOM 0 H TYR A 27 -12.172 1.520 4.215 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.201 -0.105 6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.801 1.220 4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.070 0.040 5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.074 -2.036 5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.131 0.239 1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.924 -3.853 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.987 -1.575 0.517 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.262 -4.176 0.807 1.00 0.00 H new ATOM 358 N LYS A 28 -9.153 1.524 7.167 1.00 0.00 N ATOM 359 CA LYS A 28 -8.428 2.456 8.022 1.00 0.00 C ATOM 360 C LYS A 28 -6.952 2.510 7.640 1.00 0.00 C ATOM 361 O LYS A 28 -6.382 1.517 7.187 1.00 0.00 O ATOM 362 CB LYS A 28 -8.570 2.049 9.491 1.00 0.00 C ATOM 363 CG LYS A 28 -9.933 2.368 10.080 1.00 0.00 C ATOM 364 CD LYS A 28 -9.973 2.091 11.574 1.00 0.00 C ATOM 365 CE LYS A 28 -10.981 2.986 12.280 1.00 0.00 C ATOM 366 NZ LYS A 28 -12.371 2.467 12.148 1.00 0.00 N ATOM 0 H LYS A 28 -8.678 0.634 7.016 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.858 3.448 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.385 0.979 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.803 2.556 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.174 3.415 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.696 1.773 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.231 1.046 11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.983 2.249 12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.721 3.064 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.928 3.992 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.028 3.104 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.629 2.417 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.428 1.517 12.568 1.00 0.00 H new ATOM 380 N ILE A 29 -6.340 3.674 7.825 1.00 0.00 N ATOM 381 CA ILE A 29 -4.930 3.856 7.502 1.00 0.00 C ATOM 382 C ILE A 29 -4.097 2.678 7.996 1.00 0.00 C ATOM 383 O ILE A 29 -3.923 2.488 9.199 1.00 0.00 O ATOM 384 CB ILE A 29 -4.375 5.155 8.114 1.00 0.00 C ATOM 385 CG1 ILE A 29 -5.164 6.363 7.604 1.00 0.00 C ATOM 386 CG2 ILE A 29 -2.897 5.305 7.787 1.00 0.00 C ATOM 387 CD1 ILE A 29 -4.974 6.629 6.127 1.00 0.00 C ATOM 0 H ILE A 29 -6.798 4.506 8.197 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.860 3.918 6.416 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.484 5.104 9.197 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.224 6.205 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.863 7.247 8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.519 6.228 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.346 4.457 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.765 5.337 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.562 7.499 5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.920 6.819 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.302 5.761 5.556 1.00 0.00 H new ATOM 399 N GLY A 30 -3.581 1.890 7.057 1.00 0.00 N ATOM 400 CA GLY A 30 -2.771 0.741 7.416 1.00 0.00 C ATOM 401 C GLY A 30 -3.471 -0.573 7.134 1.00 0.00 C ATOM 402 O GLY A 30 -2.838 -1.542 6.715 1.00 0.00 O ATOM 0 H GLY A 30 -3.710 2.027 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.832 0.775 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.519 0.795 8.475 1.00 0.00 H new ATOM 406 N GLU A 31 -4.779 -0.607 7.366 1.00 0.00 N ATOM 407 CA GLU A 31 -5.564 -1.814 7.136 1.00 0.00 C ATOM 408 C GLU A 31 -5.256 -2.411 5.766 1.00 0.00 C ATOM 409 O GLU A 31 -4.666 -1.754 4.908 1.00 0.00 O ATOM 410 CB GLU A 31 -7.059 -1.506 7.245 1.00 0.00 C ATOM 411 CG GLU A 31 -7.596 -1.591 8.664 1.00 0.00 C ATOM 412 CD GLU A 31 -6.729 -0.848 9.662 1.00 0.00 C ATOM 413 OE1 GLU A 31 -6.232 0.245 9.316 1.00 0.00 O ATOM 414 OE2 GLU A 31 -6.547 -1.357 10.787 1.00 0.00 O ATOM 0 H GLU A 31 -5.317 0.187 7.713 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.294 -2.543 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.245 -0.505 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.612 -2.202 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.606 -1.182 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.668 -2.638 8.959 1.00 0.00 H new ATOM 421 N LYS A 32 -5.658 -3.662 5.568 1.00 0.00 N ATOM 422 CA LYS A 32 -5.426 -4.349 4.303 1.00 0.00 C ATOM 423 C LYS A 32 -6.562 -5.321 3.996 1.00 0.00 C ATOM 424 O LYS A 32 -7.047 -6.023 4.883 1.00 0.00 O ATOM 425 CB LYS A 32 -4.094 -5.102 4.344 1.00 0.00 C ATOM 426 CG LYS A 32 -2.895 -4.203 4.593 1.00 0.00 C ATOM 427 CD LYS A 32 -1.741 -4.972 5.213 1.00 0.00 C ATOM 428 CE LYS A 32 -0.792 -4.047 5.958 1.00 0.00 C ATOM 429 NZ LYS A 32 0.310 -4.799 6.620 1.00 0.00 N ATOM 0 H LYS A 32 -6.146 -4.221 6.268 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.388 -3.599 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.138 -5.860 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.954 -5.627 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.572 -3.757 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.184 -3.384 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.130 -5.725 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.196 -5.503 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.370 -3.322 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.348 -3.483 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.935 -4.133 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.091 -5.473 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.857 -5.317 5.903 1.00 0.00 H new ATOM 443 N TRP A 33 -6.978 -5.356 2.735 1.00 0.00 N ATOM 444 CA TRP A 33 -8.056 -6.243 2.312 1.00 0.00 C ATOM 445 C TRP A 33 -7.658 -7.028 1.066 1.00 0.00 C ATOM 446 O TRP A 33 -6.595 -6.796 0.489 1.00 0.00 O ATOM 447 CB TRP A 33 -9.328 -5.439 2.038 1.00 0.00 C ATOM 448 CG TRP A 33 -9.144 -4.370 1.004 1.00 0.00 C ATOM 449 CD1 TRP A 33 -9.429 -4.460 -0.328 1.00 0.00 C ATOM 450 CD2 TRP A 33 -8.632 -3.050 1.219 1.00 0.00 C ATOM 451 NE1 TRP A 33 -9.125 -3.276 -0.955 1.00 0.00 N ATOM 452 CE2 TRP A 33 -8.635 -2.395 -0.028 1.00 0.00 C ATOM 453 CE3 TRP A 33 -8.173 -2.358 2.342 1.00 0.00 C ATOM 454 CZ2 TRP A 33 -8.196 -1.082 -0.180 1.00 0.00 C ATOM 455 CZ3 TRP A 33 -7.737 -1.055 2.190 1.00 0.00 C ATOM 456 CH2 TRP A 33 -7.752 -0.428 0.937 1.00 0.00 C ATOM 0 H TRP A 33 -6.586 -4.782 1.989 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.248 -6.950 3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -10.115 -6.118 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.667 -4.981 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -9.834 -5.334 -0.817 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -9.245 -3.084 -1.950 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.159 -2.833 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.206 -0.597 -1.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.379 -0.511 3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -7.406 0.592 0.851 1.00 0.00 H new ATOM 467 N ASP A 34 -8.516 -7.956 0.657 1.00 0.00 N ATOM 468 CA ASP A 34 -8.253 -8.773 -0.521 1.00 0.00 C ATOM 469 C ASP A 34 -9.094 -8.306 -1.705 1.00 0.00 C ATOM 470 O ASP A 34 -10.260 -7.942 -1.546 1.00 0.00 O ATOM 471 CB ASP A 34 -8.544 -10.245 -0.222 1.00 0.00 C ATOM 472 CG ASP A 34 -8.021 -10.675 1.134 1.00 0.00 C ATOM 473 OD1 ASP A 34 -8.745 -10.492 2.135 1.00 0.00 O ATOM 474 OD2 ASP A 34 -6.887 -11.194 1.194 1.00 0.00 O ATOM 0 H ASP A 34 -9.399 -8.161 1.124 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.200 -8.664 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.620 -10.415 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.093 -10.866 -0.996 1.00 0.00 H new ATOM 479 N ARG A 35 -8.495 -8.317 -2.891 1.00 0.00 N ATOM 480 CA ARG A 35 -9.188 -7.892 -4.102 1.00 0.00 C ATOM 481 C ARG A 35 -8.770 -8.746 -5.295 1.00 0.00 C ATOM 482 O ARG A 35 -7.886 -9.595 -5.184 1.00 0.00 O ATOM 483 CB ARG A 35 -8.898 -6.418 -4.390 1.00 0.00 C ATOM 484 CG ARG A 35 -7.497 -6.165 -4.923 1.00 0.00 C ATOM 485 CD ARG A 35 -7.460 -4.954 -5.841 1.00 0.00 C ATOM 486 NE ARG A 35 -6.103 -4.640 -6.278 1.00 0.00 N ATOM 487 CZ ARG A 35 -5.827 -3.826 -7.292 1.00 0.00 C ATOM 488 NH1 ARG A 35 -6.810 -3.247 -7.968 1.00 0.00 N ATOM 489 NH2 ARG A 35 -4.566 -3.589 -7.630 1.00 0.00 N ATOM 0 H ARG A 35 -7.531 -8.616 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.259 -8.020 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.625 -6.048 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.038 -5.843 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.812 -6.012 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.148 -7.044 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.087 -5.141 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.882 -4.093 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.324 -5.069 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.781 -3.426 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.596 -2.623 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.807 -4.032 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.355 -2.964 -8.408 1.00 0.00 H new ATOM 503 N GLN A 36 -9.413 -8.515 -6.435 1.00 0.00 N ATOM 504 CA GLN A 36 -9.109 -9.265 -7.649 1.00 0.00 C ATOM 505 C GLN A 36 -7.924 -8.650 -8.386 1.00 0.00 C ATOM 506 O GLN A 36 -7.698 -7.442 -8.320 1.00 0.00 O ATOM 507 CB GLN A 36 -10.331 -9.305 -8.568 1.00 0.00 C ATOM 508 CG GLN A 36 -10.282 -10.424 -9.596 1.00 0.00 C ATOM 509 CD GLN A 36 -11.660 -10.841 -10.071 1.00 0.00 C ATOM 510 OE1 GLN A 36 -12.448 -10.013 -10.530 1.00 0.00 O ATOM 511 NE2 GLN A 36 -11.960 -12.130 -9.962 1.00 0.00 N ATOM 0 H GLN A 36 -10.147 -7.815 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.846 -10.283 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.229 -9.420 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.417 -8.350 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.689 -10.100 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.774 -11.287 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.277 -12.782 -9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.873 -12.468 -10.264 1.00 0.00 H new ATOM 520 N GLY A 37 -7.169 -9.490 -9.088 1.00 0.00 N ATOM 521 CA GLY A 37 -6.016 -9.010 -9.827 1.00 0.00 C ATOM 522 C GLY A 37 -6.282 -8.912 -11.316 1.00 0.00 C ATOM 523 O GLY A 37 -7.431 -8.798 -11.741 1.00 0.00 O ATOM 0 H GLY A 37 -7.335 -10.494 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.727 -8.030 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.173 -9.680 -9.655 1.00 0.00 H new ATOM 527 N GLU A 38 -5.216 -8.954 -12.109 1.00 0.00 N ATOM 528 CA GLU A 38 -5.340 -8.866 -13.560 1.00 0.00 C ATOM 529 C GLU A 38 -5.796 -10.198 -14.148 1.00 0.00 C ATOM 530 O GLU A 38 -6.691 -10.242 -14.991 1.00 0.00 O ATOM 531 CB GLU A 38 -4.007 -8.450 -14.184 1.00 0.00 C ATOM 532 CG GLU A 38 -2.864 -9.401 -13.869 1.00 0.00 C ATOM 533 CD GLU A 38 -1.508 -8.725 -13.932 1.00 0.00 C ATOM 534 OE1 GLU A 38 -1.436 -7.511 -13.647 1.00 0.00 O ATOM 535 OE2 GLU A 38 -0.520 -9.410 -14.268 1.00 0.00 O ATOM 0 H GLU A 38 -4.258 -9.048 -11.772 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.091 -8.110 -13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.126 -8.385 -15.265 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.746 -7.452 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.010 -9.822 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.884 -10.233 -14.573 1.00 0.00 H new ATOM 542 N ASN A 39 -5.173 -11.282 -13.697 1.00 0.00 N ATOM 543 CA ASN A 39 -5.513 -12.616 -14.180 1.00 0.00 C ATOM 544 C ASN A 39 -6.216 -13.424 -13.094 1.00 0.00 C ATOM 545 O ASN A 39 -5.941 -14.609 -12.910 1.00 0.00 O ATOM 546 CB ASN A 39 -4.253 -13.350 -14.643 1.00 0.00 C ATOM 547 CG ASN A 39 -3.522 -12.607 -15.744 1.00 0.00 C ATOM 548 OD1 ASN A 39 -2.334 -12.309 -15.624 1.00 0.00 O ATOM 549 ND2 ASN A 39 -4.232 -12.303 -16.824 1.00 0.00 N ATOM 0 H ASN A 39 -4.430 -11.263 -12.998 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.193 -12.507 -15.025 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.583 -13.487 -13.794 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.525 -14.344 -14.998 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.795 -11.802 -17.598 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.215 -12.570 -16.880 1.00 0.00 H new ATOM 556 N GLY A 40 -7.128 -12.774 -12.376 1.00 0.00 N ATOM 557 CA GLY A 40 -7.857 -13.447 -11.317 1.00 0.00 C ATOM 558 C GLY A 40 -7.103 -13.444 -10.002 1.00 0.00 C ATOM 559 O GLY A 40 -7.693 -13.232 -8.943 1.00 0.00 O ATOM 0 H GLY A 40 -7.375 -11.793 -12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.823 -12.961 -11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.057 -14.476 -11.615 1.00 0.00 H new ATOM 563 N GLN A 41 -5.798 -13.682 -10.069 1.00 0.00 N ATOM 564 CA GLN A 41 -4.964 -13.708 -8.873 1.00 0.00 C ATOM 565 C GLN A 41 -5.397 -12.631 -7.884 1.00 0.00 C ATOM 566 O GLN A 41 -5.590 -11.474 -8.256 1.00 0.00 O ATOM 567 CB GLN A 41 -3.493 -13.513 -9.246 1.00 0.00 C ATOM 568 CG GLN A 41 -3.224 -12.221 -10.001 1.00 0.00 C ATOM 569 CD GLN A 41 -1.755 -12.031 -10.327 1.00 0.00 C ATOM 570 OE1 GLN A 41 -1.346 -12.135 -11.483 1.00 0.00 O ATOM 571 NE2 GLN A 41 -0.954 -11.751 -9.306 1.00 0.00 N ATOM 0 H GLN A 41 -5.295 -13.860 -10.938 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.085 -14.682 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.891 -13.525 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.166 -14.355 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.801 -12.218 -10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.572 -11.377 -9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.337 -11.674 -8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.044 -11.613 -9.464 1.00 0.00 H new ATOM 580 N MET A 42 -5.549 -13.020 -6.622 1.00 0.00 N ATOM 581 CA MET A 42 -5.959 -12.087 -5.579 1.00 0.00 C ATOM 582 C MET A 42 -4.845 -11.090 -5.274 1.00 0.00 C ATOM 583 O MET A 42 -3.678 -11.338 -5.573 1.00 0.00 O ATOM 584 CB MET A 42 -6.342 -12.846 -4.308 1.00 0.00 C ATOM 585 CG MET A 42 -5.150 -13.414 -3.556 1.00 0.00 C ATOM 586 SD MET A 42 -4.443 -12.240 -2.385 1.00 0.00 S ATOM 587 CE MET A 42 -5.498 -12.503 -0.962 1.00 0.00 C ATOM 0 H MET A 42 -5.394 -13.974 -6.297 1.00 0.00 H new ATOM 0 HA MET A 42 -6.828 -11.536 -5.940 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.892 -12.177 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.017 -13.661 -4.571 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.457 -14.313 -3.022 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.384 -13.714 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.196 -11.833 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.534 -12.300 -1.234 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.407 -13.536 -0.628 1.00 0.00 H new ATOM 597 N MET A 43 -5.215 -9.962 -4.676 1.00 0.00 N ATOM 598 CA MET A 43 -4.246 -8.928 -4.330 1.00 0.00 C ATOM 599 C MET A 43 -4.589 -8.289 -2.988 1.00 0.00 C ATOM 600 O MET A 43 -5.725 -8.376 -2.520 1.00 0.00 O ATOM 601 CB MET A 43 -4.200 -7.857 -5.421 1.00 0.00 C ATOM 602 CG MET A 43 -4.049 -8.423 -6.823 1.00 0.00 C ATOM 603 SD MET A 43 -3.711 -7.150 -8.054 1.00 0.00 S ATOM 604 CE MET A 43 -2.460 -6.186 -7.210 1.00 0.00 C ATOM 0 H MET A 43 -6.178 -9.741 -4.421 1.00 0.00 H new ATOM 0 HA MET A 43 -3.265 -9.396 -4.249 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.113 -7.263 -5.374 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.369 -7.181 -5.220 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.240 -9.154 -6.830 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.961 -8.954 -7.096 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.997 -5.495 -7.914 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.921 -5.623 -6.398 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.700 -6.853 -6.803 1.00 0.00 H new ATOM 614 N SER A 44 -3.601 -7.648 -2.373 1.00 0.00 N ATOM 615 CA SER A 44 -3.798 -6.998 -1.082 1.00 0.00 C ATOM 616 C SER A 44 -3.523 -5.501 -1.180 1.00 0.00 C ATOM 617 O SER A 44 -2.426 -5.082 -1.550 1.00 0.00 O ATOM 618 CB SER A 44 -2.886 -7.627 -0.027 1.00 0.00 C ATOM 619 OG SER A 44 -3.117 -7.059 1.251 1.00 0.00 O ATOM 0 H SER A 44 -2.656 -7.565 -2.747 1.00 0.00 H new ATOM 0 HA SER A 44 -4.837 -7.140 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.059 -8.702 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.843 -7.482 -0.310 1.00 0.00 H new ATOM 0 HG SER A 44 -2.523 -7.479 1.908 1.00 0.00 H new ATOM 625 N CYS A 45 -4.529 -4.698 -0.847 1.00 0.00 N ATOM 626 CA CYS A 45 -4.399 -3.247 -0.898 1.00 0.00 C ATOM 627 C CYS A 45 -4.231 -2.667 0.504 1.00 0.00 C ATOM 628 O CYS A 45 -4.927 -3.063 1.440 1.00 0.00 O ATOM 629 CB CYS A 45 -5.622 -2.628 -1.575 1.00 0.00 C ATOM 630 SG CYS A 45 -5.865 -3.159 -3.301 1.00 0.00 S ATOM 0 H CYS A 45 -5.443 -5.029 -0.539 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.510 -3.007 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.511 -2.884 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.527 -1.542 -1.550 1.00 0.00 H new ATOM 635 N THR A 46 -3.303 -1.725 0.642 1.00 0.00 N ATOM 636 CA THR A 46 -3.043 -1.091 1.928 1.00 0.00 C ATOM 637 C THR A 46 -3.461 0.375 1.912 1.00 0.00 C ATOM 638 O THR A 46 -2.907 1.181 1.164 1.00 0.00 O ATOM 639 CB THR A 46 -1.554 -1.184 2.310 1.00 0.00 C ATOM 640 OG1 THR A 46 -1.115 -2.546 2.241 1.00 0.00 O ATOM 641 CG2 THR A 46 -1.319 -0.640 3.710 1.00 0.00 C ATOM 0 H THR A 46 -2.719 -1.384 -0.122 1.00 0.00 H new ATOM 0 HA THR A 46 -3.635 -1.627 2.670 1.00 0.00 H new ATOM 0 HB THR A 46 -0.982 -0.582 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.167 -2.597 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.260 -0.716 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.627 0.405 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.902 -1.218 4.427 1.00 0.00 H new ATOM 649 N CYS A 47 -4.440 0.715 2.743 1.00 0.00 N ATOM 650 CA CYS A 47 -4.933 2.085 2.826 1.00 0.00 C ATOM 651 C CYS A 47 -3.830 3.033 3.288 1.00 0.00 C ATOM 652 O CYS A 47 -3.674 3.286 4.483 1.00 0.00 O ATOM 653 CB CYS A 47 -6.123 2.164 3.783 1.00 0.00 C ATOM 654 SG CYS A 47 -7.323 3.472 3.372 1.00 0.00 S ATOM 0 H CYS A 47 -4.908 0.060 3.369 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.256 2.389 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.637 1.203 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.752 2.331 4.794 1.00 0.00 H new ATOM 659 N LEU A 48 -3.067 3.554 2.333 1.00 0.00 N ATOM 660 CA LEU A 48 -1.978 4.474 2.642 1.00 0.00 C ATOM 661 C LEU A 48 -2.502 5.720 3.349 1.00 0.00 C ATOM 662 O LEU A 48 -2.144 5.993 4.494 1.00 0.00 O ATOM 663 CB LEU A 48 -1.242 4.872 1.361 1.00 0.00 C ATOM 664 CG LEU A 48 -0.701 3.721 0.512 1.00 0.00 C ATOM 665 CD1 LEU A 48 -0.435 4.186 -0.911 1.00 0.00 C ATOM 666 CD2 LEU A 48 0.566 3.150 1.134 1.00 0.00 C ATOM 0 H LEU A 48 -3.182 3.355 1.339 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.283 3.965 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.920 5.464 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.409 5.520 1.631 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.454 2.933 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.051 3.353 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.363 4.547 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.299 4.992 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.937 2.332 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.324 3.931 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.345 2.778 2.134 1.00 0.00 H new ATOM 678 N GLY A 49 -3.353 6.472 2.658 1.00 0.00 N ATOM 679 CA GLY A 49 -3.914 7.679 3.237 1.00 0.00 C ATOM 680 C GLY A 49 -3.693 8.898 2.364 1.00 0.00 C ATOM 681 O GLY A 49 -4.585 9.732 2.213 1.00 0.00 O ATOM 0 H GLY A 49 -3.664 6.267 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.983 7.539 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.466 7.851 4.216 1.00 0.00 H new ATOM 685 N ASN A 50 -2.500 9.003 1.787 1.00 0.00 N ATOM 686 CA ASN A 50 -2.164 10.130 0.925 1.00 0.00 C ATOM 687 C ASN A 50 -3.272 10.387 -0.092 1.00 0.00 C ATOM 688 O ASN A 50 -3.933 9.457 -0.553 1.00 0.00 O ATOM 689 CB ASN A 50 -0.841 9.869 0.202 1.00 0.00 C ATOM 690 CG ASN A 50 -1.033 9.106 -1.095 1.00 0.00 C ATOM 691 OD1 ASN A 50 -1.660 9.599 -2.032 1.00 0.00 O ATOM 692 ND2 ASN A 50 -0.492 7.894 -1.153 1.00 0.00 N ATOM 0 H ASN A 50 -1.750 8.321 1.901 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.059 11.016 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.351 10.820 -0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.177 9.306 0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.588 7.332 -1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.020 7.525 -0.352 1.00 0.00 H new ATOM 699 N GLY A 51 -3.467 11.655 -0.439 1.00 0.00 N ATOM 700 CA GLY A 51 -4.494 12.011 -1.400 1.00 0.00 C ATOM 701 C GLY A 51 -5.894 11.796 -0.860 1.00 0.00 C ATOM 702 O GLY A 51 -6.133 11.938 0.340 1.00 0.00 O ATOM 0 H GLY A 51 -2.932 12.442 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.374 13.056 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.362 11.418 -2.305 1.00 0.00 H new ATOM 706 N LYS A 52 -6.822 11.452 -1.746 1.00 0.00 N ATOM 707 CA LYS A 52 -8.206 11.216 -1.352 1.00 0.00 C ATOM 708 C LYS A 52 -8.421 9.756 -0.966 1.00 0.00 C ATOM 709 O LYS A 52 -9.439 9.157 -1.307 1.00 0.00 O ATOM 710 CB LYS A 52 -9.154 11.597 -2.492 1.00 0.00 C ATOM 711 CG LYS A 52 -9.067 10.670 -3.692 1.00 0.00 C ATOM 712 CD LYS A 52 -10.395 10.580 -4.425 1.00 0.00 C ATOM 713 CE LYS A 52 -10.221 10.011 -5.825 1.00 0.00 C ATOM 714 NZ LYS A 52 -11.501 10.010 -6.585 1.00 0.00 N ATOM 0 H LYS A 52 -6.641 11.330 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.421 11.839 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.178 11.597 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.932 12.615 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.297 11.029 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.764 9.676 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.083 9.952 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.846 11.571 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.478 10.597 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.837 8.993 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.341 9.615 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.203 9.430 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.855 10.984 -6.671 1.00 0.00 H new ATOM 728 N GLY A 53 -7.454 9.190 -0.250 1.00 0.00 N ATOM 729 CA GLY A 53 -7.557 7.805 0.173 1.00 0.00 C ATOM 730 C GLY A 53 -6.767 6.867 -0.717 1.00 0.00 C ATOM 731 O GLY A 53 -7.210 5.757 -1.008 1.00 0.00 O ATOM 0 H GLY A 53 -6.601 9.666 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.200 7.714 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.605 7.505 0.172 1.00 0.00 H new ATOM 735 N GLU A 54 -5.593 7.315 -1.152 1.00 0.00 N ATOM 736 CA GLU A 54 -4.740 6.507 -2.016 1.00 0.00 C ATOM 737 C GLU A 54 -4.332 5.212 -1.321 1.00 0.00 C ATOM 738 O GLU A 54 -4.057 5.198 -0.121 1.00 0.00 O ATOM 739 CB GLU A 54 -3.493 7.296 -2.421 1.00 0.00 C ATOM 740 CG GLU A 54 -2.650 6.602 -3.478 1.00 0.00 C ATOM 741 CD GLU A 54 -3.286 6.649 -4.854 1.00 0.00 C ATOM 742 OE1 GLU A 54 -4.510 6.880 -4.934 1.00 0.00 O ATOM 743 OE2 GLU A 54 -2.559 6.453 -5.850 1.00 0.00 O ATOM 0 H GLU A 54 -5.211 8.232 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.309 6.255 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.797 8.273 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.880 7.470 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.667 7.072 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.495 5.563 -3.189 1.00 0.00 H new ATOM 750 N PHE A 55 -4.295 4.124 -2.084 1.00 0.00 N ATOM 751 CA PHE A 55 -3.922 2.823 -1.542 1.00 0.00 C ATOM 752 C PHE A 55 -2.883 2.142 -2.428 1.00 0.00 C ATOM 753 O PHE A 55 -2.784 2.428 -3.621 1.00 0.00 O ATOM 754 CB PHE A 55 -5.157 1.930 -1.406 1.00 0.00 C ATOM 755 CG PHE A 55 -6.114 2.051 -2.558 1.00 0.00 C ATOM 756 CD1 PHE A 55 -5.960 1.266 -3.690 1.00 0.00 C ATOM 757 CD2 PHE A 55 -7.167 2.950 -2.509 1.00 0.00 C ATOM 758 CE1 PHE A 55 -6.838 1.377 -4.751 1.00 0.00 C ATOM 759 CE2 PHE A 55 -8.049 3.065 -3.567 1.00 0.00 C ATOM 760 CZ PHE A 55 -7.884 2.276 -4.689 1.00 0.00 C ATOM 0 H PHE A 55 -4.519 4.118 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.486 2.980 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.837 0.892 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.678 2.183 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.145 0.560 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.300 3.568 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.706 0.761 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.865 3.770 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.572 2.362 -5.517 1.00 0.00 H new ATOM 770 N LYS A 56 -2.109 1.239 -1.835 1.00 0.00 N ATOM 771 CA LYS A 56 -1.077 0.515 -2.569 1.00 0.00 C ATOM 772 C LYS A 56 -1.373 -0.981 -2.591 1.00 0.00 C ATOM 773 O LYS A 56 -1.317 -1.651 -1.560 1.00 0.00 O ATOM 774 CB LYS A 56 0.295 0.765 -1.939 1.00 0.00 C ATOM 775 CG LYS A 56 1.455 0.501 -2.884 1.00 0.00 C ATOM 776 CD LYS A 56 2.787 0.529 -2.153 1.00 0.00 C ATOM 777 CE LYS A 56 3.168 1.943 -1.743 1.00 0.00 C ATOM 778 NZ LYS A 56 3.706 2.727 -2.890 1.00 0.00 N ATOM 0 H LYS A 56 -2.177 0.991 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.071 0.881 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.345 1.798 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.403 0.131 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.322 -0.469 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.458 1.250 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.731 -0.105 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.564 0.113 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.294 2.451 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.914 1.903 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.954 3.685 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.555 2.257 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.985 2.788 -3.637 1.00 0.00 H new ATOM 792 N CYS A 57 -1.688 -1.499 -3.774 1.00 0.00 N ATOM 793 CA CYS A 57 -1.992 -2.916 -3.931 1.00 0.00 C ATOM 794 C CYS A 57 -0.817 -3.658 -4.562 1.00 0.00 C ATOM 795 O CYS A 57 -0.204 -3.175 -5.514 1.00 0.00 O ATOM 796 CB CYS A 57 -3.244 -3.098 -4.791 1.00 0.00 C ATOM 797 SG CYS A 57 -4.620 -1.990 -4.344 1.00 0.00 S ATOM 0 H CYS A 57 -1.739 -0.958 -4.637 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.174 -3.334 -2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.982 -2.931 -5.836 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.582 -4.131 -4.708 1.00 0.00 H new ATOM 802 N ASP A 58 -0.509 -4.833 -4.025 1.00 0.00 N ATOM 803 CA ASP A 58 0.591 -5.643 -4.535 1.00 0.00 C ATOM 804 C ASP A 58 0.275 -7.130 -4.410 1.00 0.00 C ATOM 805 O ASP A 58 -0.385 -7.572 -3.469 1.00 0.00 O ATOM 806 CB ASP A 58 1.883 -5.318 -3.783 1.00 0.00 C ATOM 807 CG ASP A 58 1.903 -5.907 -2.386 1.00 0.00 C ATOM 808 OD1 ASP A 58 0.907 -5.732 -1.653 1.00 0.00 O ATOM 809 OD2 ASP A 58 2.915 -6.543 -2.025 1.00 0.00 O ATOM 0 H ASP A 58 -1.006 -5.246 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 58 0.725 -5.406 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.734 -5.699 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.001 -4.236 -3.720 1.00 0.00 H new ATOM 814 N PRO A 59 0.756 -7.921 -5.381 1.00 0.00 N ATOM 815 CA PRO A 59 0.537 -9.370 -5.402 1.00 0.00 C ATOM 816 C PRO A 59 1.307 -10.089 -4.300 1.00 0.00 C ATOM 817 O PRO A 59 2.516 -9.905 -4.151 1.00 0.00 O ATOM 818 CB PRO A 59 1.058 -9.788 -6.779 1.00 0.00 C ATOM 819 CG PRO A 59 2.055 -8.741 -7.140 1.00 0.00 C ATOM 820 CD PRO A 59 1.550 -7.461 -6.532 1.00 0.00 C ATOM 0 HA PRO A 59 -0.509 -9.626 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.516 -10.776 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.251 -9.835 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.043 -8.993 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.149 -8.648 -8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.369 -6.813 -6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.944 -6.893 -7.237 1.00 0.00 H new ATOM 828 N HIS A 60 0.601 -10.910 -3.529 1.00 0.00 N ATOM 829 CA HIS A 60 1.219 -11.658 -2.440 1.00 0.00 C ATOM 830 C HIS A 60 2.603 -12.160 -2.843 1.00 0.00 C ATOM 831 O HIS A 60 2.812 -12.583 -3.979 1.00 0.00 O ATOM 832 CB HIS A 60 0.334 -12.837 -2.036 1.00 0.00 C ATOM 833 CG HIS A 60 -0.671 -12.497 -0.979 1.00 0.00 C ATOM 834 ND1 HIS A 60 -1.234 -13.439 -0.144 1.00 0.00 N ATOM 835 CD2 HIS A 60 -1.214 -11.309 -0.623 1.00 0.00 C ATOM 836 CE1 HIS A 60 -2.080 -12.846 0.679 1.00 0.00 C ATOM 837 NE2 HIS A 60 -2.086 -11.553 0.409 1.00 0.00 N ATOM 0 H HIS A 60 -0.400 -11.074 -3.638 1.00 0.00 H new ATOM 0 HA HIS A 60 1.329 -10.987 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.189 -13.207 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.966 -13.649 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.001 -10.348 -1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.667 -13.335 1.443 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.647 -10.850 0.889 1.00 0.00 H new ATOM 846 N GLU A 61 3.543 -12.108 -1.904 1.00 0.00 N ATOM 847 CA GLU A 61 4.906 -12.556 -2.164 1.00 0.00 C ATOM 848 C GLU A 61 5.042 -14.056 -1.918 1.00 0.00 C ATOM 849 O GLU A 61 5.494 -14.483 -0.857 1.00 0.00 O ATOM 850 CB GLU A 61 5.894 -11.792 -1.280 1.00 0.00 C ATOM 851 CG GLU A 61 6.134 -10.361 -1.731 1.00 0.00 C ATOM 852 CD GLU A 61 6.528 -10.269 -3.193 1.00 0.00 C ATOM 853 OE1 GLU A 61 7.588 -10.818 -3.558 1.00 0.00 O ATOM 854 OE2 GLU A 61 5.775 -9.646 -3.971 1.00 0.00 O ATOM 0 H GLU A 61 3.386 -11.761 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 61 5.134 -12.355 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.521 -11.783 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.845 -12.325 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.230 -9.775 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.919 -9.918 -1.118 1.00 0.00 H new ATOM 861 N ALA A 62 4.646 -14.850 -2.908 1.00 0.00 N ATOM 862 CA ALA A 62 4.724 -16.301 -2.801 1.00 0.00 C ATOM 863 C ALA A 62 6.138 -16.797 -3.085 1.00 0.00 C ATOM 864 O ALA A 62 6.512 -17.900 -2.687 1.00 0.00 O ATOM 865 CB ALA A 62 3.732 -16.955 -3.752 1.00 0.00 C ATOM 0 H ALA A 62 4.268 -14.512 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 62 4.468 -16.579 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.801 -18.039 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.721 -16.634 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.962 -16.661 -4.776 1.00 0.00 H new ATOM 871 N THR A 63 6.920 -15.975 -3.778 1.00 0.00 N ATOM 872 CA THR A 63 8.292 -16.331 -4.117 1.00 0.00 C ATOM 873 C THR A 63 9.281 -15.331 -3.529 1.00 0.00 C ATOM 874 O THR A 63 9.506 -14.260 -4.094 1.00 0.00 O ATOM 875 CB THR A 63 8.494 -16.399 -5.643 1.00 0.00 C ATOM 876 OG1 THR A 63 8.019 -15.194 -6.254 1.00 0.00 O ATOM 877 CG2 THR A 63 7.763 -17.595 -6.232 1.00 0.00 C ATOM 0 H THR A 63 6.626 -15.058 -4.115 1.00 0.00 H new ATOM 0 HA THR A 63 8.478 -17.316 -3.689 1.00 0.00 H new ATOM 0 HB THR A 63 9.560 -16.511 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.358 -14.420 -5.758 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.920 -17.622 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.147 -18.512 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.697 -17.509 -6.023 1.00 0.00 H new ATOM 885 N CYS A 64 9.870 -15.686 -2.392 1.00 0.00 N ATOM 886 CA CYS A 64 10.835 -14.819 -1.727 1.00 0.00 C ATOM 887 C CYS A 64 12.068 -14.607 -2.600 1.00 0.00 C ATOM 888 O CYS A 64 12.973 -15.442 -2.627 1.00 0.00 O ATOM 889 CB CYS A 64 11.246 -15.415 -0.380 1.00 0.00 C ATOM 890 SG CYS A 64 11.955 -14.217 0.773 1.00 0.00 S ATOM 0 H CYS A 64 9.696 -16.569 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 64 10.360 -13.852 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.373 -15.875 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.972 -16.210 -0.553 1.00 0.00 H new ATOM 0 HG CYS A 64 12.269 -14.816 1.883 1.00 0.00 H new ATOM 896 N TYR A 65 12.096 -13.488 -3.314 1.00 0.00 N ATOM 897 CA TYR A 65 13.215 -13.169 -4.192 1.00 0.00 C ATOM 898 C TYR A 65 14.140 -12.142 -3.545 1.00 0.00 C ATOM 899 O TYR A 65 13.735 -11.407 -2.644 1.00 0.00 O ATOM 900 CB TYR A 65 12.705 -12.638 -5.533 1.00 0.00 C ATOM 901 CG TYR A 65 13.808 -12.232 -6.484 1.00 0.00 C ATOM 902 CD1 TYR A 65 14.832 -13.114 -6.808 1.00 0.00 C ATOM 903 CD2 TYR A 65 13.826 -10.968 -7.059 1.00 0.00 C ATOM 904 CE1 TYR A 65 15.842 -12.747 -7.676 1.00 0.00 C ATOM 905 CE2 TYR A 65 14.832 -10.593 -7.929 1.00 0.00 C ATOM 906 CZ TYR A 65 15.838 -11.486 -8.234 1.00 0.00 C ATOM 907 OH TYR A 65 16.842 -11.118 -9.100 1.00 0.00 O ATOM 0 H TYR A 65 11.356 -12.786 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 65 13.781 -14.085 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 65 12.092 -13.404 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 65 12.059 -11.779 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 65 14.838 -14.103 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 65 13.040 -10.266 -6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 65 16.631 -13.444 -7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 65 14.831 -9.606 -8.368 1.00 0.00 H new ATOM 0 HH TYR A 65 16.691 -10.199 -9.405 1.00 0.00 H new ATOM 917 N ASP A 66 15.383 -12.098 -4.011 1.00 0.00 N ATOM 918 CA ASP A 66 16.366 -11.161 -3.480 1.00 0.00 C ATOM 919 C ASP A 66 16.544 -9.971 -4.418 1.00 0.00 C ATOM 920 O ASP A 66 17.065 -10.112 -5.524 1.00 0.00 O ATOM 921 CB ASP A 66 17.708 -11.863 -3.267 1.00 0.00 C ATOM 922 CG ASP A 66 18.501 -12.000 -4.552 1.00 0.00 C ATOM 923 OD1 ASP A 66 18.267 -12.978 -5.292 1.00 0.00 O ATOM 924 OD2 ASP A 66 19.356 -11.129 -4.818 1.00 0.00 O ATOM 0 H ASP A 66 15.734 -12.700 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 66 16.001 -10.794 -2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.296 -11.304 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.534 -12.852 -2.844 1.00 0.00 H new ATOM 929 N ASP A 67 16.107 -8.800 -3.968 1.00 0.00 N ATOM 930 CA ASP A 67 16.218 -7.584 -4.766 1.00 0.00 C ATOM 931 C ASP A 67 17.255 -6.637 -4.172 1.00 0.00 C ATOM 932 O ASP A 67 17.586 -6.724 -2.990 1.00 0.00 O ATOM 933 CB ASP A 67 14.861 -6.884 -4.858 1.00 0.00 C ATOM 934 CG ASP A 67 14.897 -5.669 -5.763 1.00 0.00 C ATOM 935 OD1 ASP A 67 15.264 -5.822 -6.947 1.00 0.00 O ATOM 936 OD2 ASP A 67 14.560 -4.564 -5.289 1.00 0.00 O ATOM 0 H ASP A 67 15.673 -8.667 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 67 16.542 -7.864 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.117 -7.588 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.543 -6.581 -3.860 1.00 0.00 H new ATOM 941 N GLY A 68 17.765 -5.731 -5.001 1.00 0.00 N ATOM 942 CA GLY A 68 18.760 -4.780 -4.540 1.00 0.00 C ATOM 943 C GLY A 68 18.290 -3.344 -4.660 1.00 0.00 C ATOM 944 O GLY A 68 18.392 -2.569 -3.710 1.00 0.00 O ATOM 0 H GLY A 68 17.507 -5.639 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.006 -4.992 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.676 -4.909 -5.117 1.00 0.00 H new TER 948 GLY A 68