USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.2 K(o=1.2,f=-0.0041) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=0.0078) USER MOD Set 2.2: A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0187 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 1.08 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc=-0.00986 (180deg=-0.185) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 2:sc= 0.39 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.389) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.294 (180deg=-1) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= -0.516 (180deg=-2.19!) USER MOD Single : A 35 ASN : amide:sc= -4.27 K(o=-4.3,f=-5.5!) USER MOD Single : A 36 ASN : amide:sc=-0.00385 X(o=-0.0038,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.892 (180deg=-1.39) USER MOD Single : A 39 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0.0791 (180deg=0.0747) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0406) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.912 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0536 USER MOD Single : A 56 HIS : no HE2:sc= -7.94! C(o=-7.9!,f=-13!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 80 GLN : amide:sc= -2.43 K(o=-2.4,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 34:sc= 0.779 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 79.752 18.061 -11.701 1.00 0.00 N ATOM 2 CA GLY A 1 78.532 18.816 -11.919 1.00 0.00 C ATOM 3 C GLY A 1 77.800 19.121 -10.628 1.00 0.00 C ATOM 4 O GLY A 1 77.860 18.346 -9.674 1.00 0.00 O ATOM 0 H1 GLY A 1 79.777 17.247 -12.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 80.575 18.671 -11.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 79.780 17.723 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 1 78.773 19.750 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 77.874 18.254 -12.582 1.00 0.00 H new ATOM 8 N SER A 2 77.108 20.256 -10.595 1.00 0.00 N ATOM 9 CA SER A 2 76.365 20.665 -9.409 1.00 0.00 C ATOM 10 C SER A 2 74.872 20.759 -9.708 1.00 0.00 C ATOM 11 O SER A 2 74.469 21.229 -10.772 1.00 0.00 O ATOM 12 CB SER A 2 76.880 22.012 -8.898 1.00 0.00 C ATOM 13 OG SER A 2 76.038 22.528 -7.882 1.00 0.00 O ATOM 0 H SER A 2 77.047 20.909 -11.377 1.00 0.00 H new ATOM 0 HA SER A 2 76.516 19.910 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 77.892 21.895 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 76.935 22.721 -9.724 1.00 0.00 H new ATOM 0 HG SER A 2 76.390 23.388 -7.571 1.00 0.00 H new ATOM 19 N SER A 3 74.056 20.307 -8.762 1.00 0.00 N ATOM 20 CA SER A 3 72.607 20.335 -8.924 1.00 0.00 C ATOM 21 C SER A 3 72.130 21.736 -9.297 1.00 0.00 C ATOM 22 O SER A 3 71.382 21.913 -10.257 1.00 0.00 O ATOM 23 CB SER A 3 71.919 19.876 -7.637 1.00 0.00 C ATOM 24 OG SER A 3 70.522 20.102 -7.697 1.00 0.00 O ATOM 0 H SER A 3 74.373 19.917 -7.875 1.00 0.00 H new ATOM 0 HA SER A 3 72.343 19.652 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 72.112 18.815 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 72.341 20.410 -6.785 1.00 0.00 H new ATOM 0 HG SER A 3 70.105 19.799 -6.863 1.00 0.00 H new ATOM 30 N GLY A 4 72.569 22.728 -8.529 1.00 0.00 N ATOM 31 CA GLY A 4 72.177 24.100 -8.794 1.00 0.00 C ATOM 32 C GLY A 4 71.245 24.652 -7.733 1.00 0.00 C ATOM 33 O GLY A 4 71.654 24.879 -6.595 1.00 0.00 O ATOM 0 H GLY A 4 73.189 22.606 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 73.068 24.725 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 4 71.688 24.153 -9.767 1.00 0.00 H new ATOM 37 N SER A 5 69.988 24.869 -8.108 1.00 0.00 N ATOM 38 CA SER A 5 68.996 25.403 -7.182 1.00 0.00 C ATOM 39 C SER A 5 67.586 25.229 -7.737 1.00 0.00 C ATOM 40 O SER A 5 67.320 25.544 -8.898 1.00 0.00 O ATOM 41 CB SER A 5 69.269 26.883 -6.906 1.00 0.00 C ATOM 42 OG SER A 5 70.165 27.043 -5.820 1.00 0.00 O ATOM 0 H SER A 5 69.633 24.683 -9.046 1.00 0.00 H new ATOM 0 HA SER A 5 69.071 24.847 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 69.686 27.351 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 5 68.332 27.394 -6.686 1.00 0.00 H new ATOM 0 HG SER A 5 70.851 26.345 -5.857 1.00 0.00 H new ATOM 48 N SER A 6 66.685 24.726 -6.900 1.00 0.00 N ATOM 49 CA SER A 6 65.302 24.506 -7.307 1.00 0.00 C ATOM 50 C SER A 6 64.454 24.046 -6.125 1.00 0.00 C ATOM 51 O SER A 6 64.882 23.214 -5.326 1.00 0.00 O ATOM 52 CB SER A 6 65.237 23.468 -8.429 1.00 0.00 C ATOM 53 OG SER A 6 65.709 22.207 -7.986 1.00 0.00 O ATOM 0 H SER A 6 66.888 24.463 -5.936 1.00 0.00 H new ATOM 0 HA SER A 6 64.903 25.452 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 64.210 23.372 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 65.834 23.806 -9.276 1.00 0.00 H new ATOM 0 HG SER A 6 65.655 21.561 -8.721 1.00 0.00 H new ATOM 59 N GLY A 7 63.248 24.595 -6.020 1.00 0.00 N ATOM 60 CA GLY A 7 62.358 24.230 -4.933 1.00 0.00 C ATOM 61 C GLY A 7 61.111 23.519 -5.419 1.00 0.00 C ATOM 62 O GLY A 7 60.940 23.298 -6.619 1.00 0.00 O ATOM 0 H GLY A 7 62.871 25.286 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 62.890 23.586 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 62.071 25.128 -4.386 1.00 0.00 H new ATOM 66 N LEU A 8 60.237 23.158 -4.486 1.00 0.00 N ATOM 67 CA LEU A 8 58.998 22.465 -4.825 1.00 0.00 C ATOM 68 C LEU A 8 57.805 23.112 -4.131 1.00 0.00 C ATOM 69 O LEU A 8 57.964 24.043 -3.341 1.00 0.00 O ATOM 70 CB LEU A 8 59.092 20.989 -4.432 1.00 0.00 C ATOM 71 CG LEU A 8 60.041 20.131 -5.270 1.00 0.00 C ATOM 72 CD1 LEU A 8 60.327 18.812 -4.568 1.00 0.00 C ATOM 73 CD2 LEU A 8 59.456 19.885 -6.653 1.00 0.00 C ATOM 0 H LEU A 8 60.363 23.333 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 8 58.852 22.539 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 8 59.406 20.930 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.094 20.554 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 8 60.982 20.669 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 61.004 18.214 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 8 60.788 19.008 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 8 59.394 18.268 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 8 60.144 19.273 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 8 58.502 19.367 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 59.302 20.839 -7.158 1.00 0.00 H new ATOM 85 N GLU A 9 56.610 22.612 -4.430 1.00 0.00 N ATOM 86 CA GLU A 9 55.389 23.142 -3.833 1.00 0.00 C ATOM 87 C GLU A 9 55.013 22.360 -2.578 1.00 0.00 C ATOM 88 O GLU A 9 55.589 21.310 -2.293 1.00 0.00 O ATOM 89 CB GLU A 9 54.239 23.094 -4.841 1.00 0.00 C ATOM 90 CG GLU A 9 54.468 23.962 -6.067 1.00 0.00 C ATOM 91 CD GLU A 9 54.293 25.440 -5.777 1.00 0.00 C ATOM 92 OE1 GLU A 9 53.155 25.939 -5.901 1.00 0.00 O ATOM 93 OE2 GLU A 9 55.295 26.097 -5.424 1.00 0.00 O ATOM 0 H GLU A 9 56.461 21.841 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 9 55.573 24.179 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 9 54.089 22.062 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 9 53.321 23.412 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.474 23.787 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 9 53.773 23.665 -6.853 1.00 0.00 H new ATOM 100 N GLU A 10 54.043 22.879 -1.832 1.00 0.00 N ATOM 101 CA GLU A 10 53.591 22.230 -0.607 1.00 0.00 C ATOM 102 C GLU A 10 52.440 21.271 -0.893 1.00 0.00 C ATOM 103 O GLU A 10 51.634 21.501 -1.796 1.00 0.00 O ATOM 104 CB GLU A 10 53.155 23.277 0.420 1.00 0.00 C ATOM 105 CG GLU A 10 52.026 24.171 -0.064 1.00 0.00 C ATOM 106 CD GLU A 10 51.576 25.164 0.989 1.00 0.00 C ATOM 107 OE1 GLU A 10 50.669 24.824 1.778 1.00 0.00 O ATOM 108 OE2 GLU A 10 52.131 26.282 1.025 1.00 0.00 O ATOM 0 H GLU A 10 53.555 23.747 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 10 54.425 21.658 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 10 52.840 22.770 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 10 54.012 23.898 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.351 24.712 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 10 51.179 23.552 -0.360 1.00 0.00 H new ATOM 115 N PHE A 11 52.368 20.194 -0.118 1.00 0.00 N ATOM 116 CA PHE A 11 51.317 19.198 -0.288 1.00 0.00 C ATOM 117 C PHE A 11 50.030 19.643 0.401 1.00 0.00 C ATOM 118 O PHE A 11 49.943 19.661 1.629 1.00 0.00 O ATOM 119 CB PHE A 11 51.768 17.848 0.273 1.00 0.00 C ATOM 120 CG PHE A 11 52.744 17.126 -0.612 1.00 0.00 C ATOM 121 CD1 PHE A 11 54.013 17.639 -0.829 1.00 0.00 C ATOM 122 CD2 PHE A 11 52.392 15.936 -1.228 1.00 0.00 C ATOM 123 CE1 PHE A 11 54.912 16.978 -1.644 1.00 0.00 C ATOM 124 CE2 PHE A 11 53.287 15.270 -2.044 1.00 0.00 C ATOM 125 CZ PHE A 11 54.549 15.791 -2.251 1.00 0.00 C ATOM 0 H PHE A 11 53.025 19.989 0.634 1.00 0.00 H new ATOM 0 HA PHE A 11 51.120 19.093 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 11 52.223 18.004 1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 11 50.893 17.217 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 11 54.302 18.566 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 11 51.407 15.524 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 11 55.898 17.389 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 11 53.000 14.344 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 11 55.251 15.272 -2.886 1.00 0.00 H new ATOM 135 N LYS A 12 49.031 20.001 -0.399 1.00 0.00 N ATOM 136 CA LYS A 12 47.748 20.446 0.131 1.00 0.00 C ATOM 137 C LYS A 12 46.936 19.265 0.654 1.00 0.00 C ATOM 138 O LYS A 12 46.084 18.725 -0.050 1.00 0.00 O ATOM 139 CB LYS A 12 46.955 21.184 -0.950 1.00 0.00 C ATOM 140 CG LYS A 12 47.220 22.680 -0.984 1.00 0.00 C ATOM 141 CD LYS A 12 48.388 23.018 -1.896 1.00 0.00 C ATOM 142 CE LYS A 12 48.575 24.522 -2.027 1.00 0.00 C ATOM 143 NZ LYS A 12 47.443 25.160 -2.756 1.00 0.00 N ATOM 0 H LYS A 12 49.086 19.991 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 12 47.942 21.127 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 12 47.200 20.758 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 45.891 21.016 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 12 46.326 23.201 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 12 47.429 23.037 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 12 49.300 22.570 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 48.219 22.584 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 12 48.664 24.965 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 12 49.508 24.728 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 47.709 26.126 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 47.221 24.605 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 46.608 25.195 -2.138 1.00 0.00 H new ATOM 157 N ASN A 13 47.207 18.869 1.894 1.00 0.00 N ATOM 158 CA ASN A 13 46.500 17.752 2.511 1.00 0.00 C ATOM 159 C ASN A 13 45.468 18.251 3.517 1.00 0.00 C ATOM 160 O ASN A 13 45.798 18.549 4.665 1.00 0.00 O ATOM 161 CB ASN A 13 47.492 16.814 3.202 1.00 0.00 C ATOM 162 CG ASN A 13 46.860 15.494 3.597 1.00 0.00 C ATOM 163 OD1 ASN A 13 46.496 14.686 2.741 1.00 0.00 O ATOM 164 ND2 ASN A 13 46.725 15.268 4.899 1.00 0.00 N ATOM 0 H ASN A 13 47.910 19.305 2.491 1.00 0.00 H new ATOM 0 HA ASN A 13 45.979 17.204 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 48.334 16.626 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 13 47.891 17.303 4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 13 46.306 14.397 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 13 47.041 15.965 5.573 1.00 0.00 H new ATOM 171 N SER A 14 44.216 18.338 3.078 1.00 0.00 N ATOM 172 CA SER A 14 43.135 18.803 3.940 1.00 0.00 C ATOM 173 C SER A 14 41.795 18.231 3.487 1.00 0.00 C ATOM 174 O SER A 14 41.428 18.332 2.317 1.00 0.00 O ATOM 175 CB SER A 14 43.076 20.332 3.938 1.00 0.00 C ATOM 176 OG SER A 14 44.243 20.888 4.518 1.00 0.00 O ATOM 0 H SER A 14 43.925 18.093 2.132 1.00 0.00 H new ATOM 0 HA SER A 14 43.335 18.455 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 14 42.967 20.693 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 14 42.197 20.666 4.490 1.00 0.00 H new ATOM 0 HG SER A 14 44.855 20.168 4.777 1.00 0.00 H new ATOM 182 N SER A 15 41.069 17.629 4.424 1.00 0.00 N ATOM 183 CA SER A 15 39.772 17.036 4.122 1.00 0.00 C ATOM 184 C SER A 15 38.639 17.973 4.529 1.00 0.00 C ATOM 185 O SER A 15 38.265 18.043 5.700 1.00 0.00 O ATOM 186 CB SER A 15 39.621 15.693 4.840 1.00 0.00 C ATOM 187 OG SER A 15 40.414 14.694 4.223 1.00 0.00 O ATOM 0 H SER A 15 41.357 17.539 5.398 1.00 0.00 H new ATOM 0 HA SER A 15 39.717 16.872 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 15 39.913 15.800 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 15 38.575 15.388 4.832 1.00 0.00 H new ATOM 0 HG SER A 15 40.302 13.846 4.701 1.00 0.00 H new ATOM 193 N LYS A 16 38.095 18.692 3.553 1.00 0.00 N ATOM 194 CA LYS A 16 37.003 19.625 3.807 1.00 0.00 C ATOM 195 C LYS A 16 35.796 18.903 4.398 1.00 0.00 C ATOM 196 O LYS A 16 35.266 17.967 3.799 1.00 0.00 O ATOM 197 CB LYS A 16 36.601 20.336 2.513 1.00 0.00 C ATOM 198 CG LYS A 16 35.657 21.506 2.729 1.00 0.00 C ATOM 199 CD LYS A 16 34.941 21.890 1.445 1.00 0.00 C ATOM 200 CE LYS A 16 35.745 22.898 0.639 1.00 0.00 C ATOM 201 NZ LYS A 16 36.747 22.233 -0.240 1.00 0.00 N ATOM 0 H LYS A 16 38.392 18.647 2.578 1.00 0.00 H new ATOM 0 HA LYS A 16 37.351 20.364 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.500 20.693 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.127 19.616 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 34.923 21.246 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.217 22.362 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 34.767 20.998 0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 16 33.964 22.310 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 16 35.069 23.498 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 36.254 23.582 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 36.979 22.859 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.609 22.033 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 36.353 21.342 -0.603 1.00 0.00 H new ATOM 215 N LEU A 17 35.367 19.344 5.575 1.00 0.00 N ATOM 216 CA LEU A 17 34.221 18.740 6.247 1.00 0.00 C ATOM 217 C LEU A 17 32.912 19.262 5.664 1.00 0.00 C ATOM 218 O LEU A 17 32.515 20.399 5.921 1.00 0.00 O ATOM 219 CB LEU A 17 34.275 19.028 7.748 1.00 0.00 C ATOM 220 CG LEU A 17 35.153 18.092 8.579 1.00 0.00 C ATOM 221 CD1 LEU A 17 34.544 16.699 8.636 1.00 0.00 C ATOM 222 CD2 LEU A 17 36.563 18.036 8.009 1.00 0.00 C ATOM 0 H LEU A 17 35.795 20.117 6.084 1.00 0.00 H new ATOM 0 HA LEU A 17 34.264 17.662 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 17 34.631 20.049 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 17 33.260 18.987 8.142 1.00 0.00 H new ATOM 0 HG LEU A 17 35.208 18.484 9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 35.183 16.047 9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 33.555 16.753 9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 34.457 16.298 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 17 37.173 17.365 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 36.527 17.669 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 17 37.000 19.034 8.021 1.00 0.00 H new ATOM 234 N VAL A 18 32.242 18.423 4.881 1.00 0.00 N ATOM 235 CA VAL A 18 30.975 18.798 4.264 1.00 0.00 C ATOM 236 C VAL A 18 29.799 18.448 5.169 1.00 0.00 C ATOM 237 O VAL A 18 29.886 17.538 5.993 1.00 0.00 O ATOM 238 CB VAL A 18 30.786 18.104 2.902 1.00 0.00 C ATOM 239 CG1 VAL A 18 30.687 16.597 3.081 1.00 0.00 C ATOM 240 CG2 VAL A 18 29.554 18.648 2.194 1.00 0.00 C ATOM 0 H VAL A 18 32.556 17.478 4.659 1.00 0.00 H new ATOM 0 HA VAL A 18 31.004 19.877 4.112 1.00 0.00 H new ATOM 0 HB VAL A 18 31.656 18.316 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 18 30.554 16.123 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 18 31.601 16.225 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 18 29.835 16.362 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 29.435 18.147 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 18 28.672 18.468 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 18 29.671 19.720 2.032 1.00 0.00 H new ATOM 250 N ALA A 19 28.699 19.176 5.008 1.00 0.00 N ATOM 251 CA ALA A 19 27.503 18.940 5.809 1.00 0.00 C ATOM 252 C ALA A 19 27.045 17.490 5.697 1.00 0.00 C ATOM 253 O ALA A 19 27.311 16.820 4.700 1.00 0.00 O ATOM 254 CB ALA A 19 26.388 19.883 5.382 1.00 0.00 C ATOM 0 H ALA A 19 28.611 19.934 4.331 1.00 0.00 H new ATOM 0 HA ALA A 19 27.749 19.136 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.501 19.696 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.711 20.915 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.152 19.715 4.331 1.00 0.00 H new ATOM 260 N ALA A 20 26.355 17.011 6.727 1.00 0.00 N ATOM 261 CA ALA A 20 25.859 15.641 6.744 1.00 0.00 C ATOM 262 C ALA A 20 24.335 15.608 6.683 1.00 0.00 C ATOM 263 O ALA A 20 23.659 16.010 7.629 1.00 0.00 O ATOM 264 CB ALA A 20 26.355 14.914 7.985 1.00 0.00 C ATOM 0 H ALA A 20 26.127 17.552 7.561 1.00 0.00 H new ATOM 0 HA ALA A 20 26.244 15.131 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 20 25.976 13.892 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.445 14.897 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 20 26.000 15.431 8.876 1.00 0.00 H new ATOM 270 N ALA A 21 23.802 15.128 5.565 1.00 0.00 N ATOM 271 CA ALA A 21 22.359 15.042 5.382 1.00 0.00 C ATOM 272 C ALA A 21 21.998 13.974 4.355 1.00 0.00 C ATOM 273 O ALA A 21 22.859 13.490 3.622 1.00 0.00 O ATOM 274 CB ALA A 21 21.799 16.392 4.960 1.00 0.00 C ATOM 0 H ALA A 21 24.348 14.792 4.772 1.00 0.00 H new ATOM 0 HA ALA A 21 21.914 14.758 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 20.720 16.313 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 21 22.016 17.133 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 21 22.259 16.699 4.021 1.00 0.00 H new ATOM 280 N GLU A 22 20.720 13.610 4.310 1.00 0.00 N ATOM 281 CA GLU A 22 20.247 12.597 3.374 1.00 0.00 C ATOM 282 C GLU A 22 19.178 13.169 2.448 1.00 0.00 C ATOM 283 O GLU A 22 19.336 13.174 1.227 1.00 0.00 O ATOM 284 CB GLU A 22 19.689 11.391 4.132 1.00 0.00 C ATOM 285 CG GLU A 22 19.464 10.171 3.255 1.00 0.00 C ATOM 286 CD GLU A 22 18.800 9.030 4.001 1.00 0.00 C ATOM 287 OE1 GLU A 22 18.048 9.304 4.959 1.00 0.00 O ATOM 288 OE2 GLU A 22 19.034 7.862 3.626 1.00 0.00 O ATOM 0 H GLU A 22 19.994 14.001 4.910 1.00 0.00 H new ATOM 0 HA GLU A 22 21.094 12.275 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.377 11.128 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.745 11.671 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.846 10.451 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.421 9.832 2.858 1.00 0.00 H new ATOM 295 N LYS A 23 18.089 13.650 3.037 1.00 0.00 N ATOM 296 CA LYS A 23 16.992 14.226 2.267 1.00 0.00 C ATOM 297 C LYS A 23 15.978 14.899 3.186 1.00 0.00 C ATOM 298 O LYS A 23 15.740 14.442 4.303 1.00 0.00 O ATOM 299 CB LYS A 23 16.303 13.142 1.435 1.00 0.00 C ATOM 300 CG LYS A 23 15.732 13.654 0.124 1.00 0.00 C ATOM 301 CD LYS A 23 16.725 13.499 -1.015 1.00 0.00 C ATOM 302 CE LYS A 23 17.648 14.703 -1.118 1.00 0.00 C ATOM 303 NZ LYS A 23 16.890 15.966 -1.335 1.00 0.00 N ATOM 0 H LYS A 23 17.942 13.653 4.046 1.00 0.00 H new ATOM 0 HA LYS A 23 17.406 14.981 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.019 12.347 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.499 12.699 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.818 13.110 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.460 14.704 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.318 12.597 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.186 13.371 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.239 14.786 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.349 14.554 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.485 16.643 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.032 15.765 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.623 16.373 -0.416 1.00 0.00 H new ATOM 317 N GLU A 24 15.382 15.986 2.705 1.00 0.00 N ATOM 318 CA GLU A 24 14.392 16.721 3.484 1.00 0.00 C ATOM 319 C GLU A 24 13.177 15.847 3.783 1.00 0.00 C ATOM 320 O GLU A 24 12.347 15.599 2.907 1.00 0.00 O ATOM 321 CB GLU A 24 13.955 17.982 2.736 1.00 0.00 C ATOM 322 CG GLU A 24 13.428 19.078 3.647 1.00 0.00 C ATOM 323 CD GLU A 24 12.084 18.731 4.259 1.00 0.00 C ATOM 324 OE1 GLU A 24 11.129 18.488 3.493 1.00 0.00 O ATOM 325 OE2 GLU A 24 11.989 18.703 5.504 1.00 0.00 O ATOM 0 H GLU A 24 15.567 16.377 1.781 1.00 0.00 H new ATOM 0 HA GLU A 24 14.852 17.009 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.801 18.369 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.181 17.717 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.149 19.262 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.337 20.004 3.080 1.00 0.00 H new ATOM 332 N ARG A 25 13.079 15.384 5.024 1.00 0.00 N ATOM 333 CA ARG A 25 11.967 14.537 5.439 1.00 0.00 C ATOM 334 C ARG A 25 10.740 15.378 5.779 1.00 0.00 C ATOM 335 O ARG A 25 10.854 16.565 6.086 1.00 0.00 O ATOM 336 CB ARG A 25 12.368 13.687 6.646 1.00 0.00 C ATOM 337 CG ARG A 25 11.657 12.345 6.710 1.00 0.00 C ATOM 338 CD ARG A 25 12.249 11.355 5.719 1.00 0.00 C ATOM 339 NE ARG A 25 13.343 10.584 6.303 1.00 0.00 N ATOM 340 CZ ARG A 25 14.303 10.010 5.585 1.00 0.00 C ATOM 341 NH1 ARG A 25 14.303 10.121 4.264 1.00 0.00 N ATOM 342 NH2 ARG A 25 15.265 9.325 6.189 1.00 0.00 N ATOM 0 H ARG A 25 13.757 15.581 5.761 1.00 0.00 H new ATOM 0 HA ARG A 25 11.715 13.878 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.444 13.517 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.156 14.244 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.731 11.940 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.597 12.483 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.469 10.675 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.612 11.892 4.843 1.00 0.00 H new ATOM 0 HE ARG A 25 13.372 10.480 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.565 10.648 3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.041 9.680 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.268 9.238 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.001 8.885 5.637 1.00 0.00 H new ATOM 356 N LEU A 26 9.568 14.755 5.722 1.00 0.00 N ATOM 357 CA LEU A 26 8.319 15.446 6.023 1.00 0.00 C ATOM 358 C LEU A 26 7.810 15.068 7.411 1.00 0.00 C ATOM 359 O LEU A 26 6.996 14.155 7.557 1.00 0.00 O ATOM 360 CB LEU A 26 7.261 15.111 4.970 1.00 0.00 C ATOM 361 CG LEU A 26 6.282 16.233 4.623 1.00 0.00 C ATOM 362 CD1 LEU A 26 5.711 16.030 3.228 1.00 0.00 C ATOM 363 CD2 LEU A 26 5.165 16.304 5.653 1.00 0.00 C ATOM 0 H LEU A 26 9.456 13.773 5.470 1.00 0.00 H new ATOM 0 HA LEU A 26 8.512 16.519 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.771 14.805 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.689 14.252 5.319 1.00 0.00 H new ATOM 0 HG LEU A 26 6.823 17.179 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.016 16.838 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.522 16.030 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.185 15.076 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.478 17.108 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.626 15.357 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.590 16.498 6.638 1.00 0.00 H new ATOM 375 N ASP A 27 8.291 15.778 8.425 1.00 0.00 N ATOM 376 CA ASP A 27 7.882 15.519 9.801 1.00 0.00 C ATOM 377 C ASP A 27 6.362 15.446 9.911 1.00 0.00 C ATOM 378 O ASP A 27 5.816 14.514 10.502 1.00 0.00 O ATOM 379 CB ASP A 27 8.421 16.609 10.729 1.00 0.00 C ATOM 380 CG ASP A 27 7.832 16.526 12.123 1.00 0.00 C ATOM 381 OD1 ASP A 27 6.678 16.967 12.308 1.00 0.00 O ATOM 382 OD2 ASP A 27 8.525 16.018 13.030 1.00 0.00 O ATOM 0 H ASP A 27 8.964 16.537 8.321 1.00 0.00 H new ATOM 0 HA ASP A 27 8.297 14.557 10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.506 16.526 10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.200 17.587 10.302 1.00 0.00 H new ATOM 387 N LYS A 28 5.684 16.435 9.339 1.00 0.00 N ATOM 388 CA LYS A 28 4.227 16.484 9.372 1.00 0.00 C ATOM 389 C LYS A 28 3.636 15.078 9.389 1.00 0.00 C ATOM 390 O LYS A 28 2.825 14.745 10.254 1.00 0.00 O ATOM 391 CB LYS A 28 3.695 17.258 8.163 1.00 0.00 C ATOM 392 CG LYS A 28 2.401 18.003 8.440 1.00 0.00 C ATOM 393 CD LYS A 28 2.634 19.215 9.327 1.00 0.00 C ATOM 394 CE LYS A 28 3.149 20.401 8.525 1.00 0.00 C ATOM 395 NZ LYS A 28 4.633 20.386 8.402 1.00 0.00 N ATOM 0 H LYS A 28 6.121 17.214 8.846 1.00 0.00 H new ATOM 0 HA LYS A 28 3.926 16.997 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.452 17.971 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.535 16.563 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.954 18.321 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.689 17.331 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.703 19.487 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.351 18.963 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.702 20.388 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.834 21.328 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.001 21.352 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.036 19.771 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.900 20.025 7.464 1.00 0.00 H new ATOM 409 N HIS A 29 4.048 14.256 8.429 1.00 0.00 N ATOM 410 CA HIS A 29 3.560 12.884 8.336 1.00 0.00 C ATOM 411 C HIS A 29 4.716 11.908 8.143 1.00 0.00 C ATOM 412 O HIS A 29 5.141 11.647 7.017 1.00 0.00 O ATOM 413 CB HIS A 29 2.567 12.751 7.180 1.00 0.00 C ATOM 414 CG HIS A 29 2.044 11.360 6.997 1.00 0.00 C ATOM 415 ND1 HIS A 29 1.186 10.754 7.891 1.00 0.00 N ATOM 416 CD2 HIS A 29 2.261 10.455 6.014 1.00 0.00 C ATOM 417 CE1 HIS A 29 0.900 9.537 7.467 1.00 0.00 C ATOM 418 NE2 HIS A 29 1.539 9.330 6.329 1.00 0.00 N ATOM 0 H HIS A 29 4.718 14.516 7.705 1.00 0.00 H new ATOM 0 HA HIS A 29 3.054 12.640 9.270 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.729 13.426 7.353 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.051 13.073 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.886 10.592 5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.253 8.830 7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.502 8.474 5.775 1.00 0.00 H new ATOM 426 N LEU A 30 5.222 11.373 9.248 1.00 0.00 N ATOM 427 CA LEU A 30 6.331 10.425 9.202 1.00 0.00 C ATOM 428 C LEU A 30 5.821 8.988 9.236 1.00 0.00 C ATOM 429 O LEU A 30 6.322 8.124 8.519 1.00 0.00 O ATOM 430 CB LEU A 30 7.285 10.668 10.372 1.00 0.00 C ATOM 431 CG LEU A 30 8.044 11.996 10.355 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.355 12.451 11.773 1.00 0.00 C ATOM 433 CD2 LEU A 30 9.323 11.868 9.542 1.00 0.00 C ATOM 0 H LEU A 30 4.882 11.579 10.188 1.00 0.00 H new ATOM 0 HA LEU A 30 6.868 10.578 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.714 10.611 11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.013 9.857 10.396 1.00 0.00 H new ATOM 0 HG LEU A 30 7.411 12.749 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.895 13.397 11.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.424 12.583 12.325 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.969 11.700 12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.850 12.822 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.960 11.102 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.077 11.588 8.518 1.00 0.00 H new ATOM 445 N GLY A 31 4.819 8.741 10.074 1.00 0.00 N ATOM 446 CA GLY A 31 4.256 7.408 10.185 1.00 0.00 C ATOM 447 C GLY A 31 5.307 6.323 10.061 1.00 0.00 C ATOM 448 O GLY A 31 6.209 6.226 10.893 1.00 0.00 O ATOM 0 H GLY A 31 4.387 9.440 10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.748 7.310 11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.502 7.270 9.410 1.00 0.00 H new ATOM 452 N ILE A 32 5.190 5.504 9.021 1.00 0.00 N ATOM 453 CA ILE A 32 6.137 4.421 8.792 1.00 0.00 C ATOM 454 C ILE A 32 6.395 4.221 7.302 1.00 0.00 C ATOM 455 O ILE A 32 5.484 4.284 6.475 1.00 0.00 O ATOM 456 CB ILE A 32 5.634 3.096 9.396 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.476 3.229 10.912 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.590 1.962 9.055 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.390 2.346 11.486 1.00 0.00 C ATOM 0 H ILE A 32 4.448 5.570 8.324 1.00 0.00 H new ATOM 0 HA ILE A 32 7.067 4.706 9.284 1.00 0.00 H new ATOM 0 HB ILE A 32 4.659 2.865 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.424 2.983 11.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.255 4.268 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.221 1.032 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.657 1.856 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.577 2.184 9.460 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.334 2.492 12.565 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.433 2.607 11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.619 1.302 11.273 1.00 0.00 H new ATOM 471 N PRO A 33 7.665 3.974 6.949 1.00 0.00 N ATOM 472 CA PRO A 33 8.072 3.758 5.557 1.00 0.00 C ATOM 473 C PRO A 33 7.557 2.435 5.002 1.00 0.00 C ATOM 474 O PRO A 33 7.242 1.513 5.755 1.00 0.00 O ATOM 475 CB PRO A 33 9.601 3.748 5.633 1.00 0.00 C ATOM 476 CG PRO A 33 9.909 3.330 7.029 1.00 0.00 C ATOM 477 CD PRO A 33 8.801 3.886 7.881 1.00 0.00 C ATOM 0 HA PRO A 33 7.670 4.521 4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.029 3.055 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.015 4.733 5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.956 2.244 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.877 3.716 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.578 3.234 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.061 4.862 8.291 1.00 0.00 H new ATOM 485 N CYS A 34 7.474 2.347 3.678 1.00 0.00 N ATOM 486 CA CYS A 34 6.997 1.136 3.020 1.00 0.00 C ATOM 487 C CYS A 34 8.000 -0.002 3.183 1.00 0.00 C ATOM 488 O CYS A 34 9.202 0.229 3.305 1.00 0.00 O ATOM 489 CB CYS A 34 6.748 1.402 1.535 1.00 0.00 C ATOM 490 SG CYS A 34 5.763 0.115 0.704 1.00 0.00 S ATOM 0 H CYS A 34 7.731 3.100 3.040 1.00 0.00 H new ATOM 0 HA CYS A 34 6.059 0.841 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.238 2.360 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.708 1.494 1.027 1.00 0.00 H new ATOM 495 N ASN A 35 7.496 -1.232 3.183 1.00 0.00 N ATOM 496 CA ASN A 35 8.347 -2.407 3.331 1.00 0.00 C ATOM 497 C ASN A 35 8.730 -2.977 1.968 1.00 0.00 C ATOM 498 O ASN A 35 9.621 -3.819 1.864 1.00 0.00 O ATOM 499 CB ASN A 35 7.636 -3.477 4.162 1.00 0.00 C ATOM 500 CG ASN A 35 8.607 -4.354 4.929 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.179 -5.294 4.378 1.00 0.00 O ATOM 502 ND2 ASN A 35 8.797 -4.048 6.208 1.00 0.00 N ATOM 0 H ASN A 35 6.503 -1.441 3.082 1.00 0.00 H new ATOM 0 HA ASN A 35 9.258 -2.102 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.954 -2.995 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.029 -4.100 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.439 -4.602 6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.301 -3.259 6.623 1.00 0.00 H new ATOM 509 N ASN A 36 8.049 -2.510 0.926 1.00 0.00 N ATOM 510 CA ASN A 36 8.317 -2.973 -0.431 1.00 0.00 C ATOM 511 C ASN A 36 9.169 -1.962 -1.192 1.00 0.00 C ATOM 512 O ASN A 36 10.354 -2.190 -1.435 1.00 0.00 O ATOM 513 CB ASN A 36 7.005 -3.216 -1.178 1.00 0.00 C ATOM 514 CG ASN A 36 7.124 -4.318 -2.213 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.568 -5.425 -1.909 1.00 0.00 O ATOM 516 ND2 ASN A 36 6.727 -4.018 -3.444 1.00 0.00 N ATOM 0 H ASN A 36 7.308 -1.812 0.995 1.00 0.00 H new ATOM 0 HA ASN A 36 8.869 -3.911 -0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.225 -3.476 -0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.693 -2.294 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.784 -4.719 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.365 -3.087 -3.651 1.00 0.00 H new ATOM 523 N CYS A 37 8.557 -0.843 -1.565 1.00 0.00 N ATOM 524 CA CYS A 37 9.257 0.204 -2.299 1.00 0.00 C ATOM 525 C CYS A 37 10.160 1.009 -1.369 1.00 0.00 C ATOM 526 O CYS A 37 11.118 1.643 -1.811 1.00 0.00 O ATOM 527 CB CYS A 37 8.253 1.135 -2.983 1.00 0.00 C ATOM 528 SG CYS A 37 7.329 2.205 -1.835 1.00 0.00 S ATOM 0 H CYS A 37 7.577 -0.638 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 37 9.878 -0.272 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.785 1.762 -3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.544 0.533 -3.551 1.00 0.00 H new ATOM 533 N LYS A 38 9.848 0.978 -0.077 1.00 0.00 N ATOM 534 CA LYS A 38 10.631 1.702 0.917 1.00 0.00 C ATOM 535 C LYS A 38 10.490 3.209 0.729 1.00 0.00 C ATOM 536 O LYS A 38 11.461 3.953 0.860 1.00 0.00 O ATOM 537 CB LYS A 38 12.106 1.302 0.825 1.00 0.00 C ATOM 538 CG LYS A 38 12.335 -0.197 0.907 1.00 0.00 C ATOM 539 CD LYS A 38 12.347 -0.682 2.347 1.00 0.00 C ATOM 540 CE LYS A 38 13.749 -0.643 2.937 1.00 0.00 C ATOM 541 NZ LYS A 38 14.230 0.753 3.132 1.00 0.00 N ATOM 0 H LYS A 38 9.058 0.459 0.306 1.00 0.00 H new ATOM 0 HA LYS A 38 10.250 1.439 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.517 1.673 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.657 1.790 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.552 -0.716 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.282 -0.448 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.681 -0.061 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.960 -1.700 2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.755 -1.166 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.435 -1.175 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.040 0.753 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.522 1.151 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.464 1.332 3.532 1.00 0.00 H new ATOM 555 N GLN A 39 9.275 3.651 0.422 1.00 0.00 N ATOM 556 CA GLN A 39 9.007 5.070 0.217 1.00 0.00 C ATOM 557 C GLN A 39 8.930 5.807 1.550 1.00 0.00 C ATOM 558 O GLN A 39 8.089 5.499 2.394 1.00 0.00 O ATOM 559 CB GLN A 39 7.703 5.258 -0.559 1.00 0.00 C ATOM 560 CG GLN A 39 7.382 6.712 -0.867 1.00 0.00 C ATOM 561 CD GLN A 39 5.915 6.932 -1.179 1.00 0.00 C ATOM 562 OE1 GLN A 39 5.066 6.884 -0.289 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.609 7.176 -2.448 1.00 0.00 N ATOM 0 H GLN A 39 8.460 3.047 0.310 1.00 0.00 H new ATOM 0 HA GLN A 39 9.829 5.489 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.763 4.702 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.883 4.827 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.665 7.331 -0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.983 7.041 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.345 7.207 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.638 7.333 -2.717 1.00 0.00 H new ATOM 572 N PHE A 40 9.814 6.783 1.733 1.00 0.00 N ATOM 573 CA PHE A 40 9.846 7.564 2.964 1.00 0.00 C ATOM 574 C PHE A 40 10.276 9.001 2.685 1.00 0.00 C ATOM 575 O PHE A 40 11.329 9.259 2.101 1.00 0.00 O ATOM 576 CB PHE A 40 10.799 6.922 3.975 1.00 0.00 C ATOM 577 CG PHE A 40 10.366 7.100 5.402 1.00 0.00 C ATOM 578 CD1 PHE A 40 9.057 6.849 5.780 1.00 0.00 C ATOM 579 CD2 PHE A 40 11.269 7.518 6.366 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.656 7.011 7.093 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.874 7.682 7.681 1.00 0.00 C ATOM 582 CZ PHE A 40 9.566 7.429 8.044 1.00 0.00 C ATOM 0 H PHE A 40 10.517 7.052 1.045 1.00 0.00 H new ATOM 0 HA PHE A 40 8.839 7.579 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.882 5.857 3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.793 7.351 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.341 6.523 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.293 7.718 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.633 6.811 7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.588 8.008 8.423 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.255 7.558 9.070 1.00 0.00 H new ATOM 592 N PRO A 41 9.442 9.961 3.111 1.00 0.00 N ATOM 593 CA PRO A 41 8.186 9.666 3.806 1.00 0.00 C ATOM 594 C PRO A 41 7.147 9.036 2.885 1.00 0.00 C ATOM 595 O PRO A 41 7.312 9.025 1.664 1.00 0.00 O ATOM 596 CB PRO A 41 7.713 11.042 4.283 1.00 0.00 C ATOM 597 CG PRO A 41 8.337 12.007 3.335 1.00 0.00 C ATOM 598 CD PRO A 41 9.660 11.408 2.946 1.00 0.00 C ATOM 0 HA PRO A 41 8.326 8.945 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.626 11.115 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.028 11.235 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.705 12.159 2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.473 12.982 3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.929 11.659 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.467 11.768 3.584 1.00 0.00 H new ATOM 606 N ILE A 42 6.078 8.513 3.476 1.00 0.00 N ATOM 607 CA ILE A 42 5.012 7.882 2.707 1.00 0.00 C ATOM 608 C ILE A 42 3.882 8.866 2.425 1.00 0.00 C ATOM 609 O ILE A 42 3.094 9.191 3.313 1.00 0.00 O ATOM 610 CB ILE A 42 4.439 6.655 3.439 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.397 5.468 3.319 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.070 6.297 2.881 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.844 4.184 3.895 1.00 0.00 C ATOM 0 H ILE A 42 5.927 8.514 4.485 1.00 0.00 H new ATOM 0 HA ILE A 42 5.453 7.558 1.764 1.00 0.00 H new ATOM 0 HB ILE A 42 4.326 6.900 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.638 5.311 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.330 5.712 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.678 5.428 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.391 7.139 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.159 6.067 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.577 3.386 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.630 4.323 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.926 3.916 3.371 1.00 0.00 H new ATOM 625 N GLU A 43 3.808 9.336 1.184 1.00 0.00 N ATOM 626 CA GLU A 43 2.773 10.282 0.785 1.00 0.00 C ATOM 627 C GLU A 43 1.393 9.633 0.840 1.00 0.00 C ATOM 628 O GLU A 43 0.459 10.183 1.423 1.00 0.00 O ATOM 629 CB GLU A 43 3.046 10.807 -0.626 1.00 0.00 C ATOM 630 CG GLU A 43 4.016 11.976 -0.663 1.00 0.00 C ATOM 631 CD GLU A 43 3.546 13.150 0.174 1.00 0.00 C ATOM 632 OE1 GLU A 43 2.571 13.817 -0.231 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.155 13.402 1.235 1.00 0.00 O ATOM 0 H GLU A 43 4.453 9.077 0.437 1.00 0.00 H new ATOM 0 HA GLU A 43 2.791 11.117 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.444 9.996 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.103 11.113 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.991 11.646 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.149 12.300 -1.695 1.00 0.00 H new ATOM 640 N GLY A 44 1.272 8.459 0.227 1.00 0.00 N ATOM 641 CA GLY A 44 0.004 7.755 0.217 1.00 0.00 C ATOM 642 C GLY A 44 -0.388 7.246 1.590 1.00 0.00 C ATOM 643 O GLY A 44 0.326 7.465 2.569 1.00 0.00 O ATOM 0 H GLY A 44 2.030 7.984 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.774 8.420 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.064 6.915 -0.475 1.00 0.00 H new ATOM 647 N LYS A 45 -1.528 6.567 1.665 1.00 0.00 N ATOM 648 CA LYS A 45 -2.016 6.026 2.928 1.00 0.00 C ATOM 649 C LYS A 45 -0.964 5.135 3.580 1.00 0.00 C ATOM 650 O LYS A 45 0.080 4.855 2.989 1.00 0.00 O ATOM 651 CB LYS A 45 -3.304 5.232 2.703 1.00 0.00 C ATOM 652 CG LYS A 45 -4.562 6.078 2.782 1.00 0.00 C ATOM 653 CD LYS A 45 -5.052 6.217 4.214 1.00 0.00 C ATOM 654 CE LYS A 45 -6.129 7.284 4.334 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.445 6.803 3.829 1.00 0.00 N ATOM 0 H LYS A 45 -2.132 6.378 0.865 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.224 6.861 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.259 4.753 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.364 4.436 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.364 7.066 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.344 5.627 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.446 5.261 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.214 6.470 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.228 7.584 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.827 8.169 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.136 7.580 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.342 6.477 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.778 6.016 4.422 1.00 0.00 H new ATOM 669 N CYS A 46 -1.245 4.691 4.800 1.00 0.00 N ATOM 670 CA CYS A 46 -0.323 3.830 5.532 1.00 0.00 C ATOM 671 C CYS A 46 -0.979 2.495 5.871 1.00 0.00 C ATOM 672 O CYS A 46 -1.896 2.432 6.690 1.00 0.00 O ATOM 673 CB CYS A 46 0.145 4.522 6.813 1.00 0.00 C ATOM 674 SG CYS A 46 1.633 5.529 6.607 1.00 0.00 S ATOM 0 H CYS A 46 -2.104 4.913 5.303 1.00 0.00 H new ATOM 0 HA CYS A 46 0.540 3.638 4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.660 5.155 7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.334 3.765 7.574 1.00 0.00 H new ATOM 0 HG CYS A 46 1.949 6.075 7.744 1.00 0.00 H new ATOM 680 N TYR A 47 -0.503 1.430 5.235 1.00 0.00 N ATOM 681 CA TYR A 47 -1.045 0.096 5.466 1.00 0.00 C ATOM 682 C TYR A 47 -0.073 -0.754 6.278 1.00 0.00 C ATOM 683 O TYR A 47 1.137 -0.531 6.253 1.00 0.00 O ATOM 684 CB TYR A 47 -1.351 -0.590 4.134 1.00 0.00 C ATOM 685 CG TYR A 47 -2.233 0.229 3.219 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.780 1.422 2.670 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.519 -0.191 2.903 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.582 2.174 1.834 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.328 0.554 2.067 1.00 0.00 C ATOM 690 CZ TYR A 47 -3.855 1.736 1.535 1.00 0.00 C ATOM 691 OH TYR A 47 -4.658 2.481 0.702 1.00 0.00 O ATOM 0 H TYR A 47 0.257 1.465 4.556 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.969 0.200 6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.413 -0.806 3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.835 -1.547 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.783 1.768 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.893 -1.116 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.214 3.100 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.325 0.213 1.831 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.522 2.032 0.593 1.00 0.00 H new ATOM 701 N LYS A 48 -0.612 -1.732 6.999 1.00 0.00 N ATOM 702 CA LYS A 48 0.205 -2.619 7.818 1.00 0.00 C ATOM 703 C LYS A 48 -0.334 -4.046 7.779 1.00 0.00 C ATOM 704 O LYS A 48 -1.545 -4.261 7.728 1.00 0.00 O ATOM 705 CB LYS A 48 0.247 -2.118 9.263 1.00 0.00 C ATOM 706 CG LYS A 48 1.238 -2.866 10.138 1.00 0.00 C ATOM 707 CD LYS A 48 0.904 -2.717 11.613 1.00 0.00 C ATOM 708 CE LYS A 48 2.145 -2.848 12.482 1.00 0.00 C ATOM 709 NZ LYS A 48 2.798 -4.177 12.319 1.00 0.00 N ATOM 0 H LYS A 48 -1.612 -1.930 7.032 1.00 0.00 H new ATOM 0 HA LYS A 48 1.216 -2.620 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.502 -1.058 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.748 -2.207 9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.237 -3.922 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.244 -2.491 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.439 -1.746 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.176 -3.475 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.854 -2.061 12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.873 -2.702 13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.568 -4.273 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.097 -4.930 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.186 -4.258 11.357 1.00 0.00 H new ATOM 723 N CYS A 49 0.573 -5.017 7.804 1.00 0.00 N ATOM 724 CA CYS A 49 0.189 -6.423 7.773 1.00 0.00 C ATOM 725 C CYS A 49 -0.055 -6.951 9.184 1.00 0.00 C ATOM 726 O CYS A 49 0.848 -6.963 10.020 1.00 0.00 O ATOM 727 CB CYS A 49 1.275 -7.254 7.086 1.00 0.00 C ATOM 728 SG CYS A 49 0.817 -8.996 6.815 1.00 0.00 S ATOM 0 H CYS A 49 1.579 -4.856 7.846 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.738 -6.509 7.206 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.513 -6.798 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.182 -7.217 7.689 1.00 0.00 H new ATOM 733 N THR A 50 -1.284 -7.389 9.441 1.00 0.00 N ATOM 734 CA THR A 50 -1.649 -7.918 10.749 1.00 0.00 C ATOM 735 C THR A 50 -1.240 -9.380 10.884 1.00 0.00 C ATOM 736 O THR A 50 -1.618 -10.053 11.842 1.00 0.00 O ATOM 737 CB THR A 50 -3.163 -7.795 11.002 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.863 -8.828 10.299 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.678 -6.434 10.558 1.00 0.00 C ATOM 0 H THR A 50 -2.043 -7.388 8.760 1.00 0.00 H new ATOM 0 HA THR A 50 -1.115 -7.324 11.491 1.00 0.00 H new ATOM 0 HB THR A 50 -3.339 -7.901 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.804 -8.573 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.750 -6.371 10.747 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.165 -5.651 11.116 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.489 -6.303 9.492 1.00 0.00 H new ATOM 747 N GLU A 51 -0.463 -9.864 9.920 1.00 0.00 N ATOM 748 CA GLU A 51 -0.003 -11.248 9.933 1.00 0.00 C ATOM 749 C GLU A 51 1.520 -11.314 9.988 1.00 0.00 C ATOM 750 O GLU A 51 2.094 -12.290 10.473 1.00 0.00 O ATOM 751 CB GLU A 51 -0.512 -11.990 8.696 1.00 0.00 C ATOM 752 CG GLU A 51 -2.027 -12.074 8.617 1.00 0.00 C ATOM 753 CD GLU A 51 -2.506 -13.313 7.884 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.166 -14.431 8.326 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.219 -13.165 6.870 1.00 0.00 O ATOM 0 H GLU A 51 -0.139 -9.319 9.121 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.403 -11.728 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.137 -11.490 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.100 -12.999 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.440 -12.071 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.410 -11.187 8.113 1.00 0.00 H new ATOM 762 N CYS A 52 2.170 -10.269 9.488 1.00 0.00 N ATOM 763 CA CYS A 52 3.627 -10.207 9.478 1.00 0.00 C ATOM 764 C CYS A 52 4.144 -9.375 10.648 1.00 0.00 C ATOM 765 O CYS A 52 3.371 -8.937 11.501 1.00 0.00 O ATOM 766 CB CYS A 52 4.124 -9.614 8.158 1.00 0.00 C ATOM 767 SG CYS A 52 4.017 -10.756 6.743 1.00 0.00 S ATOM 0 H CYS A 52 1.711 -9.453 9.084 1.00 0.00 H new ATOM 0 HA CYS A 52 4.010 -11.223 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.544 -8.719 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.161 -9.300 8.280 1.00 0.00 H new ATOM 772 N ILE A 53 5.455 -9.160 10.681 1.00 0.00 N ATOM 773 CA ILE A 53 6.074 -8.380 11.745 1.00 0.00 C ATOM 774 C ILE A 53 6.783 -7.152 11.185 1.00 0.00 C ATOM 775 O ILE A 53 7.582 -7.255 10.255 1.00 0.00 O ATOM 776 CB ILE A 53 7.086 -9.222 12.545 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.398 -10.449 13.148 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.731 -8.380 13.636 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.193 -10.110 13.997 1.00 0.00 C ATOM 0 H ILE A 53 6.109 -9.515 9.983 1.00 0.00 H new ATOM 0 HA ILE A 53 5.271 -8.062 12.410 1.00 0.00 H new ATOM 0 HB ILE A 53 7.868 -9.564 11.867 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.089 -11.115 12.342 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.118 -10.997 13.756 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.443 -8.989 14.192 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.251 -7.535 13.184 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.961 -8.012 14.314 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.756 -11.027 14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.499 -9.469 14.824 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.454 -9.589 13.388 1.00 0.00 H new ATOM 791 N GLU A 54 6.485 -5.990 11.759 1.00 0.00 N ATOM 792 CA GLU A 54 7.094 -4.742 11.317 1.00 0.00 C ATOM 793 C GLU A 54 6.976 -4.584 9.804 1.00 0.00 C ATOM 794 O GLU A 54 7.968 -4.344 9.114 1.00 0.00 O ATOM 795 CB GLU A 54 8.566 -4.692 11.733 1.00 0.00 C ATOM 796 CG GLU A 54 8.771 -4.581 13.234 1.00 0.00 C ATOM 797 CD GLU A 54 10.076 -3.898 13.596 1.00 0.00 C ATOM 798 OE1 GLU A 54 10.422 -2.894 12.938 1.00 0.00 O ATOM 799 OE2 GLU A 54 10.751 -4.368 14.535 1.00 0.00 O ATOM 0 H GLU A 54 5.826 -5.888 12.531 1.00 0.00 H new ATOM 0 HA GLU A 54 6.561 -3.919 11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.068 -5.590 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.044 -3.842 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.941 -4.025 13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.753 -5.578 13.674 1.00 0.00 H new ATOM 806 N TYR A 55 5.757 -4.722 9.294 1.00 0.00 N ATOM 807 CA TYR A 55 5.509 -4.599 7.863 1.00 0.00 C ATOM 808 C TYR A 55 4.462 -3.525 7.582 1.00 0.00 C ATOM 809 O TYR A 55 3.396 -3.504 8.199 1.00 0.00 O ATOM 810 CB TYR A 55 5.049 -5.939 7.286 1.00 0.00 C ATOM 811 CG TYR A 55 5.338 -6.095 5.811 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.567 -6.572 5.371 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.385 -5.764 4.856 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.837 -6.716 4.024 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.645 -5.906 3.507 1.00 0.00 C ATOM 816 CZ TYR A 55 5.873 -6.382 3.096 1.00 0.00 C ATOM 817 OH TYR A 55 6.137 -6.523 1.753 1.00 0.00 O ATOM 0 H TYR A 55 4.925 -4.919 9.851 1.00 0.00 H new ATOM 0 HA TYR A 55 6.442 -4.306 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.538 -6.746 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.977 -6.047 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.324 -6.835 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.423 -5.389 5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.798 -7.088 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.892 -5.646 2.778 1.00 0.00 H new ATOM 0 HH TYR A 55 5.353 -6.245 1.235 1.00 0.00 H new ATOM 827 N HIS A 56 4.774 -2.634 6.646 1.00 0.00 N ATOM 828 CA HIS A 56 3.861 -1.557 6.281 1.00 0.00 C ATOM 829 C HIS A 56 3.986 -1.217 4.799 1.00 0.00 C ATOM 830 O HIS A 56 5.092 -1.095 4.271 1.00 0.00 O ATOM 831 CB HIS A 56 4.140 -0.314 7.127 1.00 0.00 C ATOM 832 CG HIS A 56 4.319 -0.610 8.584 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.451 -1.205 9.098 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.501 -0.386 9.639 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.322 -1.337 10.406 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.147 -0.847 10.760 1.00 0.00 N ATOM 0 H HIS A 56 5.652 -2.637 6.127 1.00 0.00 H new ATOM 0 HA HIS A 56 2.843 -1.897 6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.038 0.177 6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.317 0.390 7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.262 -1.498 8.553 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.523 0.070 9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.052 -1.771 11.072 1.00 0.00 H new ATOM 844 N LEU A 57 2.846 -1.066 4.133 1.00 0.00 N ATOM 845 CA LEU A 57 2.828 -0.741 2.711 1.00 0.00 C ATOM 846 C LEU A 57 2.262 0.657 2.480 1.00 0.00 C ATOM 847 O LEU A 57 1.733 1.284 3.398 1.00 0.00 O ATOM 848 CB LEU A 57 2.001 -1.773 1.942 1.00 0.00 C ATOM 849 CG LEU A 57 2.727 -3.063 1.559 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.803 -3.981 0.774 1.00 0.00 C ATOM 851 CD2 LEU A 57 3.980 -2.751 0.755 1.00 0.00 C ATOM 0 H LEU A 57 1.922 -1.163 4.555 1.00 0.00 H new ATOM 0 HA LEU A 57 3.854 -0.763 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.131 -2.034 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.629 -1.305 1.031 1.00 0.00 H new ATOM 0 HG LEU A 57 3.025 -3.576 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.336 -4.894 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.935 -4.231 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.475 -3.476 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.484 -3.681 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.705 -2.217 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.650 -2.132 1.351 1.00 0.00 H new ATOM 863 N CYS A 58 2.375 1.138 1.246 1.00 0.00 N ATOM 864 CA CYS A 58 1.873 2.460 0.892 1.00 0.00 C ATOM 865 C CYS A 58 0.764 2.359 -0.151 1.00 0.00 C ATOM 866 O CYS A 58 0.783 1.476 -1.008 1.00 0.00 O ATOM 867 CB CYS A 58 3.010 3.335 0.360 1.00 0.00 C ATOM 868 SG CYS A 58 3.781 2.705 -1.165 1.00 0.00 S ATOM 0 H CYS A 58 2.810 0.632 0.475 1.00 0.00 H new ATOM 0 HA CYS A 58 1.462 2.918 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.626 4.338 0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.775 3.426 1.131 1.00 0.00 H new ATOM 873 N GLN A 59 -0.201 3.270 -0.071 1.00 0.00 N ATOM 874 CA GLN A 59 -1.318 3.284 -1.008 1.00 0.00 C ATOM 875 C GLN A 59 -0.869 2.841 -2.397 1.00 0.00 C ATOM 876 O GLN A 59 -1.598 2.142 -3.101 1.00 0.00 O ATOM 877 CB GLN A 59 -1.934 4.682 -1.080 1.00 0.00 C ATOM 878 CG GLN A 59 -2.836 4.888 -2.287 1.00 0.00 C ATOM 879 CD GLN A 59 -4.169 4.180 -2.146 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.165 4.782 -1.742 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.196 2.896 -2.480 1.00 0.00 N ATOM 0 H GLN A 59 -0.232 4.008 0.633 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.070 2.582 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.509 4.864 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.134 5.422 -1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.009 5.955 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.329 4.525 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.347 2.437 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.066 2.368 -2.407 1.00 0.00 H new ATOM 890 N GLU A 60 0.334 3.252 -2.784 1.00 0.00 N ATOM 891 CA GLU A 60 0.878 2.898 -4.090 1.00 0.00 C ATOM 892 C GLU A 60 1.036 1.386 -4.221 1.00 0.00 C ATOM 893 O GLU A 60 0.336 0.743 -5.004 1.00 0.00 O ATOM 894 CB GLU A 60 2.229 3.584 -4.307 1.00 0.00 C ATOM 895 CG GLU A 60 2.518 3.910 -5.762 1.00 0.00 C ATOM 896 CD GLU A 60 3.831 4.647 -5.945 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.870 5.865 -5.674 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.820 4.005 -6.358 1.00 0.00 O ATOM 0 H GLU A 60 0.950 3.830 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 60 0.178 3.240 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.257 4.505 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.020 2.940 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.541 2.986 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.706 4.517 -6.163 1.00 0.00 H new ATOM 905 N CYS A 61 1.962 0.824 -3.450 1.00 0.00 N ATOM 906 CA CYS A 61 2.214 -0.611 -3.480 1.00 0.00 C ATOM 907 C CYS A 61 0.917 -1.395 -3.305 1.00 0.00 C ATOM 908 O CYS A 61 0.759 -2.486 -3.853 1.00 0.00 O ATOM 909 CB CYS A 61 3.209 -0.998 -2.384 1.00 0.00 C ATOM 910 SG CYS A 61 4.942 -0.598 -2.778 1.00 0.00 S ATOM 0 H CYS A 61 2.550 1.342 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 61 2.640 -0.860 -4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.931 -0.490 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.128 -2.069 -2.196 1.00 0.00 H new ATOM 915 N PHE A 62 -0.009 -0.832 -2.536 1.00 0.00 N ATOM 916 CA PHE A 62 -1.293 -1.477 -2.287 1.00 0.00 C ATOM 917 C PHE A 62 -2.096 -1.606 -3.578 1.00 0.00 C ATOM 918 O PHE A 62 -2.881 -2.540 -3.743 1.00 0.00 O ATOM 919 CB PHE A 62 -2.094 -0.685 -1.252 1.00 0.00 C ATOM 920 CG PHE A 62 -3.246 -1.454 -0.670 1.00 0.00 C ATOM 921 CD1 PHE A 62 -3.049 -2.327 0.388 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.525 -1.303 -1.180 1.00 0.00 C ATOM 923 CE1 PHE A 62 -4.107 -3.036 0.926 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.587 -2.008 -0.646 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.377 -2.876 0.408 1.00 0.00 C ATOM 0 H PHE A 62 0.106 0.070 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.100 -2.477 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.428 -0.378 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.473 0.226 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.058 -2.455 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.694 -0.626 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.940 -3.714 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.580 -1.881 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.205 -3.429 0.826 1.00 0.00 H new ATOM 935 N ASP A 63 -1.894 -0.662 -4.491 1.00 0.00 N ATOM 936 CA ASP A 63 -2.598 -0.669 -5.768 1.00 0.00 C ATOM 937 C ASP A 63 -2.307 -1.951 -6.541 1.00 0.00 C ATOM 938 O ASP A 63 -3.114 -2.390 -7.362 1.00 0.00 O ATOM 939 CB ASP A 63 -2.197 0.547 -6.603 1.00 0.00 C ATOM 940 CG ASP A 63 -2.822 0.534 -7.984 1.00 0.00 C ATOM 941 OD1 ASP A 63 -2.339 -0.228 -8.846 1.00 0.00 O ATOM 942 OD2 ASP A 63 -3.795 1.287 -8.202 1.00 0.00 O ATOM 0 H ASP A 63 -1.248 0.118 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.668 -0.623 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.495 1.456 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.112 0.576 -6.699 1.00 0.00 H new ATOM 947 N SER A 64 -1.150 -2.547 -6.275 1.00 0.00 N ATOM 948 CA SER A 64 -0.750 -3.777 -6.950 1.00 0.00 C ATOM 949 C SER A 64 -1.385 -4.994 -6.284 1.00 0.00 C ATOM 950 O SER A 64 -1.523 -6.051 -6.900 1.00 0.00 O ATOM 951 CB SER A 64 0.774 -3.915 -6.943 1.00 0.00 C ATOM 952 OG SER A 64 1.178 -5.140 -7.530 1.00 0.00 O ATOM 0 H SER A 64 -0.472 -2.199 -5.597 1.00 0.00 H new ATOM 0 HA SER A 64 -1.099 -3.726 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.220 -3.083 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.143 -3.860 -5.919 1.00 0.00 H new ATOM 0 HG SER A 64 2.156 -5.203 -7.515 1.00 0.00 H new ATOM 958 N TYR A 65 -1.770 -4.836 -5.023 1.00 0.00 N ATOM 959 CA TYR A 65 -2.388 -5.921 -4.271 1.00 0.00 C ATOM 960 C TYR A 65 -1.485 -7.150 -4.245 1.00 0.00 C ATOM 961 O TYR A 65 -1.947 -8.278 -4.425 1.00 0.00 O ATOM 962 CB TYR A 65 -3.744 -6.283 -4.879 1.00 0.00 C ATOM 963 CG TYR A 65 -4.840 -5.296 -4.547 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.721 -3.955 -4.889 1.00 0.00 C ATOM 965 CD2 TYR A 65 -5.994 -5.705 -3.890 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.720 -3.049 -4.587 1.00 0.00 C ATOM 967 CE2 TYR A 65 -6.998 -4.806 -3.585 1.00 0.00 C ATOM 968 CZ TYR A 65 -6.857 -3.480 -3.935 1.00 0.00 C ATOM 969 OH TYR A 65 -7.854 -2.582 -3.631 1.00 0.00 O ATOM 0 H TYR A 65 -1.665 -3.967 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.536 -5.580 -3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.641 -6.348 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.038 -7.272 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.832 -3.614 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.108 -6.743 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.611 -2.010 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.889 -5.141 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.585 -3.047 -3.174 1.00 0.00 H new ATOM 979 N CYS A 66 -0.196 -6.924 -4.021 1.00 0.00 N ATOM 980 CA CYS A 66 0.774 -8.012 -3.971 1.00 0.00 C ATOM 981 C CYS A 66 0.730 -8.719 -2.621 1.00 0.00 C ATOM 982 O CYS A 66 0.500 -9.927 -2.548 1.00 0.00 O ATOM 983 CB CYS A 66 2.183 -7.479 -4.235 1.00 0.00 C ATOM 984 SG CYS A 66 3.448 -8.765 -4.360 1.00 0.00 S ATOM 0 H CYS A 66 0.202 -5.997 -3.871 1.00 0.00 H new ATOM 0 HA CYS A 66 0.514 -8.733 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.174 -6.902 -5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.456 -6.792 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 66 4.604 -8.216 -4.586 1.00 0.00 H new ATOM 990 N HIS A 67 0.953 -7.960 -1.553 1.00 0.00 N ATOM 991 CA HIS A 67 0.940 -8.514 -0.204 1.00 0.00 C ATOM 992 C HIS A 67 -0.489 -8.660 0.309 1.00 0.00 C ATOM 993 O HIS A 67 -0.732 -9.310 1.327 1.00 0.00 O ATOM 994 CB HIS A 67 1.747 -7.626 0.743 1.00 0.00 C ATOM 995 CG HIS A 67 2.329 -8.366 1.908 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.683 -8.430 2.158 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.732 -9.075 2.894 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.895 -9.148 3.247 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.726 -9.550 3.713 1.00 0.00 N ATOM 0 H HIS A 67 1.145 -6.959 -1.596 1.00 0.00 H new ATOM 0 HA HIS A 67 1.397 -9.503 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.554 -7.152 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.105 -6.827 1.114 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.408 -7.991 1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.671 -9.237 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.859 -9.368 3.682 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.433 -8.050 -0.400 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.839 -8.111 -0.016 1.00 0.00 C ATOM 1009 C LEU A 68 -3.220 -9.518 0.433 1.00 0.00 C ATOM 1010 O LEU A 68 -4.176 -9.702 1.186 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.726 -7.679 -1.185 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.098 -6.196 -1.233 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.347 -5.933 -0.406 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -2.940 -5.340 -0.741 1.00 0.00 C ATOM 0 H LEU A 68 -1.250 -7.507 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.992 -7.429 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.218 -7.936 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.646 -8.263 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.309 -5.926 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.597 -4.873 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.176 -6.519 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.164 -6.218 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.222 -4.288 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.698 -5.611 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.069 -5.507 -1.375 1.00 0.00 H new ATOM 1026 N SER A 69 -2.464 -10.507 -0.032 1.00 0.00 N ATOM 1027 CA SER A 69 -2.724 -11.898 0.321 1.00 0.00 C ATOM 1028 C SER A 69 -3.004 -12.036 1.815 1.00 0.00 C ATOM 1029 O SER A 69 -3.786 -12.890 2.235 1.00 0.00 O ATOM 1030 CB SER A 69 -1.533 -12.776 -0.069 1.00 0.00 C ATOM 1031 OG SER A 69 -1.292 -12.718 -1.464 1.00 0.00 O ATOM 0 H SER A 69 -1.667 -10.371 -0.654 1.00 0.00 H new ATOM 0 HA SER A 69 -3.606 -12.228 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.644 -12.449 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.725 -13.807 0.228 1.00 0.00 H new ATOM 0 HG SER A 69 -0.525 -13.286 -1.687 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.360 -11.190 2.612 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.540 -11.217 4.059 1.00 0.00 C ATOM 1039 C HIS A 70 -3.565 -10.174 4.499 1.00 0.00 C ATOM 1040 O HIS A 70 -4.076 -9.408 3.682 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.207 -10.967 4.765 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.346 -12.188 4.867 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.956 -12.155 5.321 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.607 -13.483 4.573 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.458 -13.377 5.299 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.530 -14.202 4.850 1.00 0.00 N ATOM 0 H HIS A 70 -1.709 -10.478 2.281 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.910 -12.204 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.661 -10.191 4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.402 -10.585 5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.537 -13.878 4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.458 -13.654 5.598 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.640 -15.209 4.729 1.00 0.00 H new ATOM 1054 N THR A 71 -3.861 -10.152 5.794 1.00 0.00 N ATOM 1055 CA THR A 71 -4.825 -9.206 6.342 1.00 0.00 C ATOM 1056 C THR A 71 -4.165 -7.868 6.656 1.00 0.00 C ATOM 1057 O THR A 71 -3.479 -7.726 7.668 1.00 0.00 O ATOM 1058 CB THR A 71 -5.484 -9.753 7.622 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.869 -11.119 7.429 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.704 -8.926 7.998 1.00 0.00 C ATOM 0 H THR A 71 -3.447 -10.779 6.484 1.00 0.00 H new ATOM 0 HA THR A 71 -5.592 -9.060 5.581 1.00 0.00 H new ATOM 0 HB THR A 71 -4.758 -9.691 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.286 -11.460 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.153 -9.331 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.404 -7.893 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.431 -8.961 7.187 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.378 -6.889 5.782 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.803 -5.562 5.967 1.00 0.00 C ATOM 1070 C PHE A 72 -4.832 -4.600 6.554 1.00 0.00 C ATOM 1071 O PHE A 72 -6.017 -4.923 6.651 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.282 -5.019 4.635 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.840 -5.347 4.376 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.361 -6.632 4.575 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.962 -4.370 3.934 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.034 -6.937 4.338 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.366 -4.670 3.694 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.831 -5.955 3.898 1.00 0.00 C ATOM 0 H PHE A 72 -4.944 -6.990 4.940 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.972 -5.648 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.889 -5.423 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.408 -3.936 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.033 -7.404 4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.319 -3.363 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.326 -7.943 4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.040 -3.900 3.347 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.869 -6.191 3.714 1.00 0.00 H new ATOM 1088 N THR A 73 -4.371 -3.416 6.945 1.00 0.00 N ATOM 1089 CA THR A 73 -5.250 -2.408 7.524 1.00 0.00 C ATOM 1090 C THR A 73 -4.712 -1.003 7.276 1.00 0.00 C ATOM 1091 O THR A 73 -3.513 -0.755 7.401 1.00 0.00 O ATOM 1092 CB THR A 73 -5.424 -2.618 9.040 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.145 -2.784 9.662 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.292 -3.836 9.321 1.00 0.00 C ATOM 0 H THR A 73 -3.394 -3.132 6.871 1.00 0.00 H new ATOM 0 HA THR A 73 -6.219 -2.515 7.036 1.00 0.00 H new ATOM 0 HB THR A 73 -5.916 -1.737 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.265 -2.915 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.401 -3.965 10.398 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.275 -3.694 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.823 -4.723 8.895 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.607 -0.086 6.925 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.222 1.296 6.659 1.00 0.00 C ATOM 1104 C PHE A 74 -5.631 2.206 7.813 1.00 0.00 C ATOM 1105 O PHE A 74 -6.691 2.026 8.414 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.862 1.784 5.358 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.255 2.317 5.538 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.350 1.473 5.453 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.468 3.663 5.791 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.633 1.960 5.619 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.749 4.155 5.958 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.833 3.303 5.870 1.00 0.00 C ATOM 0 H PHE A 74 -6.604 -0.274 6.818 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.137 1.332 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.236 2.564 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.886 0.961 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.200 0.422 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.625 4.334 5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.478 1.291 5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.902 5.205 6.157 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.835 3.687 5.997 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.783 3.183 8.117 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.055 4.121 9.200 1.00 0.00 C ATOM 1124 C ARG A 75 -5.532 5.462 8.651 1.00 0.00 C ATOM 1125 O ARG A 75 -5.649 5.641 7.439 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.801 4.323 10.054 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.763 5.225 9.406 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.001 6.033 10.445 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.220 5.180 11.337 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.178 5.609 12.039 1.00 0.00 C ATOM 1131 NH1 ARG A 75 0.208 6.875 11.952 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.482 4.773 12.830 1.00 0.00 N ATOM 0 H ARG A 75 -3.902 3.346 7.629 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.846 3.701 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.091 4.748 11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.350 3.352 10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.063 4.620 8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.253 5.901 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.337 6.736 9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.704 6.624 11.032 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.490 4.200 11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.296 7.521 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.009 7.202 12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.189 3.798 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.282 5.105 13.368 1.00 0.00 H new ATOM 1146 N GLU A 76 -5.805 6.401 9.552 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.271 7.725 9.156 1.00 0.00 C ATOM 1148 C GLU A 76 -5.424 8.816 9.807 1.00 0.00 C ATOM 1149 O GLU A 76 -4.646 8.550 10.723 1.00 0.00 O ATOM 1150 CB GLU A 76 -7.741 7.908 9.539 1.00 0.00 C ATOM 1151 CG GLU A 76 -8.709 7.263 8.563 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.131 7.762 8.735 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.864 7.187 9.566 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -10.510 8.727 8.038 1.00 0.00 O ATOM 0 H GLU A 76 -5.712 6.270 10.559 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.172 7.809 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.904 7.487 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.961 8.974 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.379 7.463 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.689 6.182 8.698 1.00 0.00 H new ATOM 1161 N LYS A 77 -5.582 10.044 9.326 1.00 0.00 N ATOM 1162 CA LYS A 77 -4.835 11.177 9.859 1.00 0.00 C ATOM 1163 C LYS A 77 -4.898 11.202 11.383 1.00 0.00 C ATOM 1164 O LYS A 77 -5.736 10.535 11.990 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.384 12.489 9.294 1.00 0.00 C ATOM 1166 CG LYS A 77 -6.858 12.707 9.587 1.00 0.00 C ATOM 1167 CD LYS A 77 -7.300 14.111 9.210 1.00 0.00 C ATOM 1168 CE LYS A 77 -8.519 14.546 10.009 1.00 0.00 C ATOM 1169 NZ LYS A 77 -9.790 14.141 9.347 1.00 0.00 N ATOM 0 H LYS A 77 -6.221 10.280 8.567 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.793 11.067 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.813 13.320 9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.231 12.503 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.451 11.978 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.048 12.537 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.482 14.810 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.530 14.147 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.474 14.109 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.504 15.629 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.597 14.456 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.845 14.578 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.817 13.106 9.250 1.00 0.00 H new ATOM 1183 N ARG A 78 -4.008 11.976 11.995 1.00 0.00 N ATOM 1184 CA ARG A 78 -3.963 12.088 13.448 1.00 0.00 C ATOM 1185 C ARG A 78 -5.370 12.073 14.038 1.00 0.00 C ATOM 1186 O ARG A 78 -6.345 12.380 13.352 1.00 0.00 O ATOM 1187 CB ARG A 78 -3.240 13.371 13.860 1.00 0.00 C ATOM 1188 CG ARG A 78 -2.938 13.449 15.348 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.868 12.447 15.752 1.00 0.00 C ATOM 1190 NE ARG A 78 -0.530 13.029 15.714 1.00 0.00 N ATOM 1191 CZ ARG A 78 -0.052 13.838 16.653 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.801 14.159 17.699 1.00 0.00 N ATOM 1193 NH2 ARG A 78 1.176 14.328 16.547 1.00 0.00 N ATOM 0 H ARG A 78 -3.308 12.535 11.507 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.415 11.230 13.836 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.306 13.446 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.850 14.229 13.576 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.609 14.457 15.601 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.849 13.259 15.916 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.075 12.081 16.758 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.908 11.586 15.085 1.00 0.00 H new ATOM 0 HE ARG A 78 0.072 12.802 14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.746 13.785 17.784 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.432 14.780 18.419 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.755 14.084 15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.541 14.949 17.269 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.468 11.713 15.314 1.00 0.00 N ATOM 1208 CA ASN A 79 -6.756 11.657 15.996 1.00 0.00 C ATOM 1209 C ASN A 79 -7.665 10.613 15.355 1.00 0.00 C ATOM 1210 O ASN A 79 -8.869 10.827 15.216 1.00 0.00 O ATOM 1211 CB ASN A 79 -7.433 13.029 15.964 1.00 0.00 C ATOM 1212 CG ASN A 79 -6.762 14.026 16.889 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -6.555 13.751 18.071 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -6.419 15.192 16.353 1.00 0.00 N ATOM 0 H ASN A 79 -4.671 11.456 15.896 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.579 11.371 17.033 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.417 13.415 14.945 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.480 12.921 16.248 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.964 15.903 16.926 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.610 15.377 15.368 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.081 9.485 14.967 1.00 0.00 N ATOM 1222 CA GLN A 80 -7.839 8.408 14.341 1.00 0.00 C ATOM 1223 C GLN A 80 -7.269 7.046 14.726 1.00 0.00 C ATOM 1224 O GLN A 80 -6.352 6.953 15.541 1.00 0.00 O ATOM 1225 CB GLN A 80 -7.830 8.567 12.820 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.344 9.916 12.346 1.00 0.00 C ATOM 1227 CD GLN A 80 -9.806 10.135 12.684 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -10.178 11.168 13.242 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.644 9.162 12.348 1.00 0.00 N ATOM 0 H GLN A 80 -6.085 9.292 15.075 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.867 8.465 14.699 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.813 8.426 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.440 7.779 12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.748 10.708 12.800 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.209 9.993 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.293 8.323 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.639 9.253 12.551 1.00 0.00 H new ATOM 1238 N LYS A 81 -7.820 5.992 14.133 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.367 4.634 14.411 1.00 0.00 C ATOM 1240 C LYS A 81 -7.449 3.765 13.160 1.00 0.00 C ATOM 1241 O LYS A 81 -8.210 4.060 12.239 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.205 4.015 15.532 1.00 0.00 C ATOM 1243 CG LYS A 81 -9.702 4.098 15.288 1.00 0.00 C ATOM 1244 CD LYS A 81 -10.194 2.940 14.435 1.00 0.00 C ATOM 1245 CE LYS A 81 -11.636 2.582 14.760 1.00 0.00 C ATOM 1246 NZ LYS A 81 -11.740 1.782 16.011 1.00 0.00 N ATOM 0 H LYS A 81 -8.581 6.052 13.457 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.325 4.683 14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.922 2.969 15.651 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.970 4.517 16.470 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.228 4.097 16.243 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.939 5.041 14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.112 3.203 13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.557 2.071 14.597 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.223 3.495 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.066 2.019 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.738 1.558 16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.201 0.899 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.353 2.329 16.806 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.664 2.695 13.136 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.650 1.783 11.998 1.00 0.00 C ATOM 1262 C TRP A 82 -8.069 1.421 11.573 1.00 0.00 C ATOM 1263 O TRP A 82 -9.019 1.597 12.336 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.869 0.514 12.345 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.515 0.789 12.924 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.185 0.847 14.248 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.308 1.046 12.197 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.847 1.125 14.388 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.286 1.251 13.144 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -2.992 1.122 10.838 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.973 1.526 12.774 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.687 1.395 10.472 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.691 1.594 11.437 1.00 0.00 C ATOM 0 H TRP A 82 -6.029 2.437 13.891 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.159 2.287 11.166 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.447 -0.077 13.056 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.755 -0.091 11.446 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.875 0.696 15.065 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.351 1.222 15.274 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.753 0.970 10.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.204 1.680 13.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.431 1.456 9.425 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.319 1.805 11.119 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.205 0.916 10.352 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.509 0.530 9.826 1.00 0.00 C ATOM 1286 C ARG A 83 -9.420 -0.787 9.061 1.00 0.00 C ATOM 1287 O ARG A 83 -8.605 -0.933 8.150 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.058 1.627 8.911 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.101 2.999 9.563 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.253 3.835 9.027 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.544 3.372 9.527 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.701 3.633 8.928 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.727 4.349 7.812 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -14.835 3.176 9.444 1.00 0.00 N ATOM 0 H ARG A 83 -7.429 0.764 9.708 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.187 0.395 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.443 1.680 8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.064 1.353 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.203 2.887 10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.159 3.518 9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.107 4.877 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.252 3.798 7.938 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.559 2.818 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.857 4.701 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.617 4.548 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.819 2.624 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.723 3.377 8.983 1.00 0.00 H new ATOM 1308 N SER A 84 -10.262 -1.743 9.439 1.00 0.00 N ATOM 1309 CA SER A 84 -10.275 -3.050 8.792 1.00 0.00 C ATOM 1310 C SER A 84 -10.775 -2.940 7.355 1.00 0.00 C ATOM 1311 O SER A 84 -11.967 -2.748 7.113 1.00 0.00 O ATOM 1312 CB SER A 84 -11.156 -4.023 9.578 1.00 0.00 C ATOM 1313 OG SER A 84 -12.492 -3.555 9.651 1.00 0.00 O ATOM 0 H SER A 84 -10.944 -1.637 10.190 1.00 0.00 H new ATOM 0 HA SER A 84 -9.253 -3.429 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.136 -5.003 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.756 -4.150 10.584 1.00 0.00 H new ATOM 0 HG SER A 84 -12.715 -3.072 8.828 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.855 -3.063 6.404 1.00 0.00 N ATOM 1320 CA LEU A 85 -10.201 -2.978 4.990 1.00 0.00 C ATOM 1321 C LEU A 85 -11.298 -3.977 4.636 1.00 0.00 C ATOM 1322 O LEU A 85 -11.474 -4.986 5.318 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.965 -3.233 4.126 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.925 -2.112 4.096 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -6.530 -2.684 3.897 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -8.253 -1.109 2.999 1.00 0.00 C ATOM 0 H LEU A 85 -8.864 -3.222 6.587 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.574 -1.973 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.480 -4.142 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.293 -3.424 3.104 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.950 -1.593 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.803 -1.872 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.295 -3.363 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.491 -3.228 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.503 -0.319 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.256 -1.614 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.235 -0.675 3.185 1.00 0.00 H new ATOM 1338 N GLU A 86 -12.029 -3.691 3.564 1.00 0.00 N ATOM 1339 CA GLU A 86 -13.108 -4.566 3.119 1.00 0.00 C ATOM 1340 C GLU A 86 -12.550 -5.829 2.470 1.00 0.00 C ATOM 1341 O GLU A 86 -11.409 -5.852 2.007 1.00 0.00 O ATOM 1342 CB GLU A 86 -14.017 -3.831 2.132 1.00 0.00 C ATOM 1343 CG GLU A 86 -15.079 -2.977 2.803 1.00 0.00 C ATOM 1344 CD GLU A 86 -16.324 -3.767 3.159 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -16.239 -4.638 4.050 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -17.382 -3.515 2.547 1.00 0.00 O ATOM 0 H GLU A 86 -11.894 -2.861 2.987 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.692 -4.854 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.405 -3.197 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.505 -4.562 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.664 -2.532 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.352 -2.156 2.140 1.00 0.00 H new ATOM 1353 N LYS A 87 -13.363 -6.880 2.440 1.00 0.00 N ATOM 1354 CA LYS A 87 -12.953 -8.148 1.848 1.00 0.00 C ATOM 1355 C LYS A 87 -12.623 -7.976 0.368 1.00 0.00 C ATOM 1356 O LYS A 87 -13.517 -7.821 -0.463 1.00 0.00 O ATOM 1357 CB LYS A 87 -14.058 -9.193 2.016 1.00 0.00 C ATOM 1358 CG LYS A 87 -13.743 -10.523 1.353 1.00 0.00 C ATOM 1359 CD LYS A 87 -12.624 -11.254 2.074 1.00 0.00 C ATOM 1360 CE LYS A 87 -12.043 -12.369 1.218 1.00 0.00 C ATOM 1361 NZ LYS A 87 -11.490 -13.475 2.047 1.00 0.00 N ATOM 0 H LYS A 87 -14.310 -6.878 2.819 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.056 -8.489 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.231 -9.359 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.985 -8.799 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.637 -11.146 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.459 -10.354 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.836 -10.547 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.003 -11.670 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.817 -12.762 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.257 -11.965 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.104 -14.215 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.734 -13.106 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.246 -13.878 2.637 1.00 0.00 H new ATOM 1375 N ARG A 88 -11.333 -8.006 0.048 1.00 0.00 N ATOM 1376 CA ARG A 88 -10.885 -7.853 -1.331 1.00 0.00 C ATOM 1377 C ARG A 88 -11.427 -8.980 -2.207 1.00 0.00 C ATOM 1378 O ARG A 88 -12.058 -9.914 -1.713 1.00 0.00 O ATOM 1379 CB ARG A 88 -9.357 -7.834 -1.394 1.00 0.00 C ATOM 1380 CG ARG A 88 -8.707 -9.066 -0.788 1.00 0.00 C ATOM 1381 CD ARG A 88 -8.576 -10.186 -1.808 1.00 0.00 C ATOM 1382 NE ARG A 88 -7.692 -9.822 -2.911 1.00 0.00 N ATOM 1383 CZ ARG A 88 -6.390 -10.084 -2.927 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -5.824 -10.710 -1.904 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -5.651 -9.720 -3.967 1.00 0.00 N ATOM 0 H ARG A 88 -10.581 -8.135 0.724 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.269 -6.905 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.046 -7.744 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.991 -6.948 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.721 -8.806 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.299 -9.412 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.193 -11.080 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.562 -10.435 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.096 -9.340 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.389 -10.991 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.824 -10.910 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.083 -9.238 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.651 -9.922 -3.978 1.00 0.00 H new ATOM 1399 N ALA A 89 -11.176 -8.884 -3.508 1.00 0.00 N ATOM 1400 CA ALA A 89 -11.637 -9.895 -4.451 1.00 0.00 C ATOM 1401 C ALA A 89 -10.698 -11.096 -4.471 1.00 0.00 C ATOM 1402 O ALA A 89 -9.593 -11.024 -5.010 1.00 0.00 O ATOM 1403 CB ALA A 89 -11.762 -9.298 -5.845 1.00 0.00 C ATOM 0 H ALA A 89 -10.656 -8.116 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.618 -10.239 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.107 -10.064 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.478 -8.476 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.791 -8.925 -6.170 1.00 0.00 H new ATOM 1409 N ASP A 90 -11.143 -12.199 -3.879 1.00 0.00 N ATOM 1410 CA ASP A 90 -10.342 -13.417 -3.829 1.00 0.00 C ATOM 1411 C ASP A 90 -11.221 -14.652 -3.997 1.00 0.00 C ATOM 1412 O ASP A 90 -12.225 -14.809 -3.304 1.00 0.00 O ATOM 1413 CB ASP A 90 -9.578 -13.495 -2.506 1.00 0.00 C ATOM 1414 CG ASP A 90 -8.934 -14.851 -2.290 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -7.828 -15.074 -2.825 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -9.536 -15.688 -1.586 1.00 0.00 O ATOM 0 H ASP A 90 -12.054 -12.275 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.627 -13.388 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.809 -12.723 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.260 -13.284 -1.682 1.00 0.00 H new ATOM 1421 N GLU A 91 -10.835 -15.525 -4.922 1.00 0.00 N ATOM 1422 CA GLU A 91 -11.589 -16.745 -5.182 1.00 0.00 C ATOM 1423 C GLU A 91 -11.025 -17.915 -4.381 1.00 0.00 C ATOM 1424 O GLU A 91 -9.973 -17.801 -3.751 1.00 0.00 O ATOM 1425 CB GLU A 91 -11.566 -17.078 -6.676 1.00 0.00 C ATOM 1426 CG GLU A 91 -12.671 -16.400 -7.468 1.00 0.00 C ATOM 1427 CD GLU A 91 -12.655 -14.891 -7.318 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -13.254 -14.384 -6.347 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -12.042 -14.217 -8.173 1.00 0.00 O ATOM 0 H GLU A 91 -10.005 -15.410 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.620 -16.577 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.601 -16.785 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.651 -18.158 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.568 -16.658 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.637 -16.784 -7.139 1.00 0.00 H new ATOM 1436 N VAL A 92 -11.732 -19.040 -4.409 1.00 0.00 N ATOM 1437 CA VAL A 92 -11.303 -20.231 -3.687 1.00 0.00 C ATOM 1438 C VAL A 92 -10.181 -20.950 -4.429 1.00 0.00 C ATOM 1439 O VAL A 92 -10.096 -20.890 -5.655 1.00 0.00 O ATOM 1440 CB VAL A 92 -12.472 -21.211 -3.474 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -12.963 -21.754 -4.807 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -12.056 -22.344 -2.548 1.00 0.00 C ATOM 0 H VAL A 92 -12.605 -19.151 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.937 -19.897 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.294 -20.672 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.789 -22.445 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.303 -20.929 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.149 -22.278 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.894 -23.027 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.217 -22.884 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.758 -21.934 -1.583 1.00 0.00 H new ATOM 1452 N SER A 93 -9.322 -21.630 -3.676 1.00 0.00 N ATOM 1453 CA SER A 93 -8.203 -22.358 -4.262 1.00 0.00 C ATOM 1454 C SER A 93 -7.620 -23.353 -3.264 1.00 0.00 C ATOM 1455 O SER A 93 -7.610 -23.107 -2.058 1.00 0.00 O ATOM 1456 CB SER A 93 -7.117 -21.383 -4.721 1.00 0.00 C ATOM 1457 OG SER A 93 -6.025 -22.073 -5.304 1.00 0.00 O ATOM 0 H SER A 93 -9.380 -21.692 -2.660 1.00 0.00 H new ATOM 0 HA SER A 93 -8.574 -22.911 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.535 -20.682 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.768 -20.796 -3.871 1.00 0.00 H new ATOM 0 HG SER A 93 -5.346 -21.428 -5.591 1.00 0.00 H new ATOM 1463 N GLY A 94 -7.135 -24.481 -3.776 1.00 0.00 N ATOM 1464 CA GLY A 94 -6.556 -25.497 -2.916 1.00 0.00 C ATOM 1465 C GLY A 94 -5.155 -25.143 -2.460 1.00 0.00 C ATOM 1466 O GLY A 94 -4.954 -24.572 -1.388 1.00 0.00 O ATOM 0 H GLY A 94 -7.133 -24.709 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.194 -25.636 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.532 -26.448 -3.448 1.00 0.00 H new ATOM 1470 N PRO A 95 -4.155 -25.486 -3.286 1.00 0.00 N ATOM 1471 CA PRO A 95 -2.748 -25.211 -2.982 1.00 0.00 C ATOM 1472 C PRO A 95 -2.421 -23.723 -3.046 1.00 0.00 C ATOM 1473 O PRO A 95 -2.317 -23.147 -4.129 1.00 0.00 O ATOM 1474 CB PRO A 95 -1.994 -25.972 -4.075 1.00 0.00 C ATOM 1475 CG PRO A 95 -2.959 -26.066 -5.206 1.00 0.00 C ATOM 1476 CD PRO A 95 -4.322 -26.169 -4.580 1.00 0.00 C ATOM 0 HA PRO A 95 -2.482 -25.517 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.087 -25.444 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.690 -26.961 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.891 -25.190 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.748 -26.936 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.083 -25.687 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.627 -27.207 -4.450 1.00 0.00 H new ATOM 1484 N SER A 96 -2.259 -23.107 -1.880 1.00 0.00 N ATOM 1485 CA SER A 96 -1.946 -21.684 -1.804 1.00 0.00 C ATOM 1486 C SER A 96 -0.472 -21.435 -2.108 1.00 0.00 C ATOM 1487 O SER A 96 0.381 -22.279 -1.835 1.00 0.00 O ATOM 1488 CB SER A 96 -2.293 -21.137 -0.418 1.00 0.00 C ATOM 1489 OG SER A 96 -1.543 -21.792 0.590 1.00 0.00 O ATOM 0 H SER A 96 -2.339 -23.570 -0.975 1.00 0.00 H new ATOM 0 HA SER A 96 -2.546 -21.165 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.094 -20.066 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.358 -21.269 -0.227 1.00 0.00 H new ATOM 0 HG SER A 96 -1.781 -21.424 1.466 1.00 0.00 H new ATOM 1495 N SER A 97 -0.180 -20.269 -2.676 1.00 0.00 N ATOM 1496 CA SER A 97 1.190 -19.908 -3.021 1.00 0.00 C ATOM 1497 C SER A 97 1.733 -18.856 -2.059 1.00 0.00 C ATOM 1498 O SER A 97 1.005 -17.969 -1.615 1.00 0.00 O ATOM 1499 CB SER A 97 1.255 -19.385 -4.457 1.00 0.00 C ATOM 1500 OG SER A 97 2.597 -19.282 -4.901 1.00 0.00 O ATOM 0 H SER A 97 -0.874 -19.558 -2.907 1.00 0.00 H new ATOM 0 HA SER A 97 1.807 -20.803 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.701 -20.053 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.774 -18.409 -4.514 1.00 0.00 H new ATOM 0 HG SER A 97 2.612 -18.947 -5.822 1.00 0.00 H new ATOM 1506 N GLY A 98 3.020 -18.961 -1.742 1.00 0.00 N ATOM 1507 CA GLY A 98 3.641 -18.013 -0.835 1.00 0.00 C ATOM 1508 C GLY A 98 4.309 -18.692 0.344 1.00 0.00 C ATOM 1509 O GLY A 98 3.801 -18.592 1.459 1.00 0.00 O ATOM 0 H GLY A 98 3.644 -19.686 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.381 -17.425 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.886 -17.316 -0.470 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.393 1.152 -1.374 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.078 -10.440 5.449 1.00 0.00 ZN