USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 699 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 83 CYS SG : rot -110:sc= 0.229 USER MOD Set 1.2: A 86 HIS : no HD1:sc= -0.0539 X(o=0.17,f=-0.11) USER MOD Set 2.1: A 78 THR OG1 : rot 35:sc= 2.05 USER MOD Set 2.2: A 80 THR OG1 : rot 97:sc= 1.9 USER MOD Set 2.3: A 94 LYS NZ :NH3+ -157:sc= 2.24 (180deg=-0.481) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 136:sc= 2.3 (180deg=-1.09) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 0.312 K(o=2.6,f=-8.8!) USER MOD Set 4.1: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 33 ASN : amide:sc= -1.69 K(o=-7.4,f=-12!) USER MOD Set 4.3: A 37 SER OG : rot 180:sc= 0.00445 USER MOD Set 4.4: A 39 HIS : no HE2:sc= -5.69 K(o=-7.4,f=-8.6) USER MOD Set 5.1: A 2 ASN : amide:sc= -0.51 K(o=0.71,f=-0.014) USER MOD Set 5.2: A 4 THR OG1 : rot 180:sc= -0.932 USER MOD Set 5.3: A 30 LYS NZ :NH3+ 169:sc= 2.16 (180deg=1.73) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 1.15 (180deg=0.358) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 2.48 (180deg=2.21) USER MOD Single : A 9 SER OG : rot 44:sc= 1.24 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 20 THR OG1 : rot 10:sc= 0.0666 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.721) USER MOD Single : A 34 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= 2.42 (180deg=1.1) USER MOD Single : A 40 ASN : amide:sc= 0.855 K(o=0.86,f=-4.1!) USER MOD Single : A 52 THR OG1 : rot -35:sc= 0.901 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 2.36 (180deg=2.27) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00544 USER MOD Single : A 71 SER OG : rot -21:sc= 1.31 USER MOD Single : A 72 THR OG1 : rot -69:sc= 0.356 USER MOD Single : A 74 THR OG1 : rot -43:sc= 0.888 USER MOD Single : A 79 TYR OH : rot -132:sc= 1.1 USER MOD Single : A 81 TYR OH : rot 131:sc= 1.94 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 173:sc= 0 (180deg=-0.0611) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.047 -0.640 -15.199 1.00 0.00 N ATOM 2 CA ALA A 1 3.926 -1.759 -15.590 1.00 0.00 C ATOM 3 C ALA A 1 4.342 -2.642 -14.400 1.00 0.00 C ATOM 4 O ALA A 1 5.367 -2.344 -13.793 1.00 0.00 O ATOM 5 CB ALA A 1 5.136 -1.236 -16.376 1.00 0.00 C ATOM 0 H1 ALA A 1 2.096 -0.792 -15.592 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.989 -0.590 -14.162 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.435 0.252 -15.567 1.00 0.00 H new ATOM 0 HA ALA A 1 3.350 -2.413 -16.245 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.776 -2.072 -16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.792 -0.723 -17.274 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.701 -0.541 -15.755 1.00 0.00 H new ATOM 13 N ASN A 2 3.527 -3.660 -14.047 1.00 0.00 N ATOM 14 CA ASN A 2 3.709 -4.676 -12.994 1.00 0.00 C ATOM 15 C ASN A 2 4.601 -4.230 -11.811 1.00 0.00 C ATOM 16 O ASN A 2 5.813 -4.462 -11.798 1.00 0.00 O ATOM 17 CB ASN A 2 4.273 -5.927 -13.706 1.00 0.00 C ATOM 18 CG ASN A 2 4.375 -7.146 -12.799 1.00 0.00 C ATOM 19 OD1 ASN A 2 5.359 -7.372 -12.102 1.00 0.00 O ATOM 20 ND2 ASN A 2 3.348 -7.970 -12.796 1.00 0.00 N ATOM 0 H ASN A 2 2.645 -3.802 -14.539 1.00 0.00 H new ATOM 0 HA ASN A 2 2.751 -4.873 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.637 -6.169 -14.557 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.261 -5.695 -14.103 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.366 -8.805 -12.211 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.535 -7.773 -13.379 1.00 0.00 H new ATOM 27 N ALA A 3 4.016 -3.581 -10.799 1.00 0.00 N ATOM 28 CA ALA A 3 4.797 -3.088 -9.678 1.00 0.00 C ATOM 29 C ALA A 3 5.101 -4.157 -8.612 1.00 0.00 C ATOM 30 O ALA A 3 4.573 -5.272 -8.604 1.00 0.00 O ATOM 31 CB ALA A 3 4.096 -1.853 -9.102 1.00 0.00 C ATOM 0 H ALA A 3 3.016 -3.390 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 3 5.784 -2.806 -10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.670 -1.469 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.023 -1.084 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.096 -2.126 -8.766 1.00 0.00 H new ATOM 37 N THR A 4 6.008 -3.762 -7.720 1.00 0.00 N ATOM 38 CA THR A 4 6.557 -4.419 -6.533 1.00 0.00 C ATOM 39 C THR A 4 6.939 -3.245 -5.645 1.00 0.00 C ATOM 40 O THR A 4 7.669 -2.369 -6.107 1.00 0.00 O ATOM 41 CB THR A 4 7.797 -5.253 -6.869 1.00 0.00 C ATOM 42 OG1 THR A 4 7.484 -6.176 -7.881 1.00 0.00 O ATOM 43 CG2 THR A 4 8.331 -6.030 -5.668 1.00 0.00 C ATOM 0 H THR A 4 6.435 -2.842 -7.830 1.00 0.00 H new ATOM 0 HA THR A 4 5.853 -5.113 -6.075 1.00 0.00 H new ATOM 0 HB THR A 4 8.567 -4.552 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.279 -6.708 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.209 -6.602 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.604 -5.333 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.561 -6.710 -5.303 1.00 0.00 H new ATOM 51 N VAL A 5 6.432 -3.189 -4.414 1.00 0.00 N ATOM 52 CA VAL A 5 6.659 -2.107 -3.457 1.00 0.00 C ATOM 53 C VAL A 5 6.996 -2.639 -2.073 1.00 0.00 C ATOM 54 O VAL A 5 6.645 -3.756 -1.686 1.00 0.00 O ATOM 55 CB VAL A 5 5.463 -1.097 -3.524 1.00 0.00 C ATOM 56 CG1 VAL A 5 4.164 -1.626 -4.177 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.182 -0.308 -2.236 1.00 0.00 C ATOM 0 H VAL A 5 5.830 -3.923 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 5 7.549 -1.539 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 5 5.862 -0.369 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.407 -0.842 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.368 -1.921 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.801 -2.488 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.335 0.360 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.950 -1.002 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.061 0.279 -1.969 1.00 0.00 H new ATOM 67 N LYS A 6 7.731 -1.801 -1.332 1.00 0.00 N ATOM 68 CA LYS A 6 8.216 -2.125 0.006 1.00 0.00 C ATOM 69 C LYS A 6 7.716 -1.153 1.072 1.00 0.00 C ATOM 70 O LYS A 6 8.046 0.021 1.016 1.00 0.00 O ATOM 71 CB LYS A 6 9.761 -2.082 0.038 1.00 0.00 C ATOM 72 CG LYS A 6 10.546 -2.844 -1.043 1.00 0.00 C ATOM 73 CD LYS A 6 12.014 -2.374 -1.111 1.00 0.00 C ATOM 74 CE LYS A 6 12.797 -2.553 0.200 1.00 0.00 C ATOM 75 NZ LYS A 6 13.909 -1.581 0.336 1.00 0.00 N ATOM 0 H LYS A 6 8.006 -0.872 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 6 7.834 -3.121 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.063 -1.036 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.082 -2.462 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.514 -3.913 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.070 -2.696 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.523 -2.924 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.033 -1.321 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.116 -2.441 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.197 -3.566 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.606 -1.944 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.367 -1.446 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.535 -0.671 0.674 1.00 0.00 H new ATOM 89 N MET A 7 6.883 -1.631 1.984 1.00 0.00 N ATOM 90 CA MET A 7 6.323 -0.929 3.139 1.00 0.00 C ATOM 91 C MET A 7 7.508 -0.854 4.104 1.00 0.00 C ATOM 92 O MET A 7 8.082 -1.900 4.419 1.00 0.00 O ATOM 93 CB MET A 7 5.163 -1.745 3.717 1.00 0.00 C ATOM 94 CG MET A 7 3.917 -1.830 2.838 1.00 0.00 C ATOM 95 SD MET A 7 2.501 -2.557 3.715 1.00 0.00 S ATOM 96 CE MET A 7 2.982 -4.296 3.875 1.00 0.00 C ATOM 0 H MET A 7 6.553 -2.595 1.936 1.00 0.00 H new ATOM 0 HA MET A 7 5.914 0.056 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.517 -2.757 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.880 -1.313 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.652 -0.832 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.139 -2.427 1.954 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.197 -4.844 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.129 -4.725 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.910 -4.366 4.442 1.00 0.00 H new ATOM 106 N GLY A 8 7.937 0.343 4.535 1.00 0.00 N ATOM 107 CA GLY A 8 9.094 0.449 5.420 1.00 0.00 C ATOM 108 C GLY A 8 10.362 0.643 4.614 1.00 0.00 C ATOM 109 O GLY A 8 11.035 -0.328 4.240 1.00 0.00 O ATOM 0 H GLY A 8 7.505 1.233 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.960 1.286 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.177 -0.451 6.029 1.00 0.00 H new ATOM 113 N SER A 9 10.659 1.917 4.348 1.00 0.00 N ATOM 114 CA SER A 9 11.814 2.292 3.559 1.00 0.00 C ATOM 115 C SER A 9 13.080 1.734 4.197 1.00 0.00 C ATOM 116 O SER A 9 13.181 1.679 5.427 1.00 0.00 O ATOM 117 CB SER A 9 11.891 3.802 3.382 1.00 0.00 C ATOM 118 OG SER A 9 12.972 4.135 2.537 1.00 0.00 O ATOM 0 H SER A 9 10.103 2.707 4.676 1.00 0.00 H new ATOM 0 HA SER A 9 11.715 1.861 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.959 4.175 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.015 4.284 4.352 1.00 0.00 H new ATOM 0 HG SER A 9 12.983 3.530 1.766 1.00 0.00 H new ATOM 124 N ASP A 10 14.063 1.344 3.376 1.00 0.00 N ATOM 125 CA ASP A 10 15.310 0.747 3.867 1.00 0.00 C ATOM 126 C ASP A 10 16.101 1.599 4.875 1.00 0.00 C ATOM 127 O ASP A 10 16.881 1.042 5.651 1.00 0.00 O ATOM 128 CB ASP A 10 16.193 0.291 2.695 1.00 0.00 C ATOM 129 CG ASP A 10 16.462 -1.202 2.864 1.00 0.00 C ATOM 130 OD1 ASP A 10 17.454 -1.554 3.542 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.587 -1.983 2.424 1.00 0.00 O ATOM 0 H ASP A 10 14.017 1.433 2.361 1.00 0.00 H new ATOM 0 HA ASP A 10 14.997 -0.122 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.695 0.484 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.130 0.849 2.683 1.00 0.00 H new ATOM 136 N SER A 11 15.887 2.920 4.912 1.00 0.00 N ATOM 137 CA SER A 11 16.546 3.811 5.879 1.00 0.00 C ATOM 138 C SER A 11 15.919 3.647 7.271 1.00 0.00 C ATOM 139 O SER A 11 16.451 4.156 8.260 1.00 0.00 O ATOM 140 CB SER A 11 16.449 5.271 5.427 1.00 0.00 C ATOM 141 OG SER A 11 17.209 5.463 4.249 1.00 0.00 O ATOM 0 H SER A 11 15.254 3.402 4.274 1.00 0.00 H new ATOM 0 HA SER A 11 17.599 3.535 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.407 5.536 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.812 5.930 6.216 1.00 0.00 H new ATOM 0 HG SER A 11 17.141 6.398 3.965 1.00 0.00 H new ATOM 147 N GLY A 12 14.799 2.905 7.335 1.00 0.00 N ATOM 148 CA GLY A 12 14.054 2.572 8.529 1.00 0.00 C ATOM 149 C GLY A 12 13.050 3.667 8.811 1.00 0.00 C ATOM 150 O GLY A 12 13.177 4.388 9.793 1.00 0.00 O ATOM 0 H GLY A 12 14.377 2.505 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.543 1.618 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.732 2.457 9.375 1.00 0.00 H new ATOM 154 N ALA A 13 12.058 3.803 7.930 1.00 0.00 N ATOM 155 CA ALA A 13 11.032 4.828 8.043 1.00 0.00 C ATOM 156 C ALA A 13 9.700 4.278 7.537 1.00 0.00 C ATOM 157 O ALA A 13 9.651 3.574 6.526 1.00 0.00 O ATOM 158 CB ALA A 13 11.482 6.068 7.259 1.00 0.00 C ATOM 0 H ALA A 13 11.947 3.199 7.115 1.00 0.00 H new ATOM 0 HA ALA A 13 10.889 5.118 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.720 6.844 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.420 6.438 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.625 5.804 6.211 1.00 0.00 H new ATOM 164 N LEU A 14 8.611 4.621 8.233 1.00 0.00 N ATOM 165 CA LEU A 14 7.241 4.229 7.890 1.00 0.00 C ATOM 166 C LEU A 14 6.747 4.925 6.620 1.00 0.00 C ATOM 167 O LEU A 14 5.879 5.788 6.645 1.00 0.00 O ATOM 168 CB LEU A 14 6.284 4.447 9.087 1.00 0.00 C ATOM 169 CG LEU A 14 6.328 3.420 10.237 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.061 1.987 9.767 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.657 3.420 10.991 1.00 0.00 C ATOM 0 H LEU A 14 8.660 5.195 9.074 1.00 0.00 H new ATOM 0 HA LEU A 14 7.249 3.161 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.492 5.431 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.265 4.475 8.701 1.00 0.00 H new ATOM 0 HG LEU A 14 5.530 3.743 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.105 1.310 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.073 1.932 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.815 1.698 9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.624 2.676 11.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.466 3.178 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.830 4.406 11.423 1.00 0.00 H new ATOM 183 N VAL A 15 7.321 4.538 5.484 1.00 0.00 N ATOM 184 CA VAL A 15 6.956 5.034 4.170 1.00 0.00 C ATOM 185 C VAL A 15 7.242 3.889 3.213 1.00 0.00 C ATOM 186 O VAL A 15 8.215 3.152 3.366 1.00 0.00 O ATOM 187 CB VAL A 15 7.694 6.346 3.812 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.220 6.230 3.787 1.00 0.00 C ATOM 189 CG2 VAL A 15 7.214 6.906 2.465 1.00 0.00 C ATOM 0 H VAL A 15 8.074 3.851 5.457 1.00 0.00 H new ATOM 0 HA VAL A 15 5.905 5.318 4.119 1.00 0.00 H new ATOM 0 HB VAL A 15 7.440 7.030 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.654 7.196 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.578 5.924 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.516 5.488 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.751 7.828 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.404 6.176 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.145 7.113 2.517 1.00 0.00 H new ATOM 199 N PHE A 16 6.324 3.683 2.279 1.00 0.00 N ATOM 200 CA PHE A 16 6.386 2.693 1.223 1.00 0.00 C ATOM 201 C PHE A 16 7.089 3.216 -0.030 1.00 0.00 C ATOM 202 O PHE A 16 6.960 4.379 -0.403 1.00 0.00 O ATOM 203 CB PHE A 16 4.976 2.104 1.004 1.00 0.00 C ATOM 204 CG PHE A 16 3.771 2.981 1.312 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.762 4.374 1.108 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.701 2.379 1.999 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.684 5.149 1.566 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.633 3.150 2.472 1.00 0.00 C ATOM 209 CZ PHE A 16 1.613 4.528 2.230 1.00 0.00 C ATOM 0 H PHE A 16 5.468 4.237 2.239 1.00 0.00 H new ATOM 0 HA PHE A 16 7.026 1.863 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.904 1.794 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.895 1.202 1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.587 4.848 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.704 1.312 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.678 6.217 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.828 2.684 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.769 5.118 2.556 1.00 0.00 H new ATOM 219 N GLU A 17 7.848 2.327 -0.681 1.00 0.00 N ATOM 220 CA GLU A 17 8.652 2.621 -1.871 1.00 0.00 C ATOM 221 C GLU A 17 8.384 1.644 -3.027 1.00 0.00 C ATOM 222 O GLU A 17 8.761 0.477 -2.925 1.00 0.00 O ATOM 223 CB GLU A 17 10.151 2.718 -1.481 1.00 0.00 C ATOM 224 CG GLU A 17 10.779 1.518 -0.733 1.00 0.00 C ATOM 225 CD GLU A 17 12.079 1.799 0.051 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.376 2.982 0.346 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.720 0.814 0.507 1.00 0.00 O ATOM 0 H GLU A 17 7.921 1.354 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 17 8.347 3.592 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.725 2.882 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.279 3.605 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.039 1.125 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.982 0.731 -1.460 1.00 0.00 H new ATOM 234 N PRO A 18 7.663 2.060 -4.093 1.00 0.00 N ATOM 235 CA PRO A 18 7.036 3.375 -4.276 1.00 0.00 C ATOM 236 C PRO A 18 5.709 3.602 -3.534 1.00 0.00 C ATOM 237 O PRO A 18 4.794 2.776 -3.561 1.00 0.00 O ATOM 238 CB PRO A 18 6.816 3.546 -5.773 1.00 0.00 C ATOM 239 CG PRO A 18 6.753 2.111 -6.297 1.00 0.00 C ATOM 240 CD PRO A 18 7.716 1.367 -5.376 1.00 0.00 C ATOM 0 HA PRO A 18 7.710 4.113 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.895 4.090 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.629 4.106 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.743 1.704 -6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.063 2.048 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.423 0.323 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.728 1.374 -5.782 1.00 0.00 H new ATOM 248 N SER A 19 5.586 4.818 -2.983 1.00 0.00 N ATOM 249 CA SER A 19 4.477 5.390 -2.212 1.00 0.00 C ATOM 250 C SER A 19 3.249 5.832 -3.024 1.00 0.00 C ATOM 251 O SER A 19 2.247 6.228 -2.425 1.00 0.00 O ATOM 252 CB SER A 19 4.996 6.614 -1.428 1.00 0.00 C ATOM 253 OG SER A 19 5.823 7.437 -2.226 1.00 0.00 O ATOM 0 H SER A 19 6.343 5.495 -3.078 1.00 0.00 H new ATOM 0 HA SER A 19 4.132 4.579 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.150 7.196 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.554 6.276 -0.555 1.00 0.00 H new ATOM 0 HG SER A 19 6.131 8.202 -1.697 1.00 0.00 H new ATOM 259 N THR A 20 3.274 5.767 -4.359 1.00 0.00 N ATOM 260 CA THR A 20 2.113 6.134 -5.198 1.00 0.00 C ATOM 261 C THR A 20 1.912 5.086 -6.282 1.00 0.00 C ATOM 262 O THR A 20 1.023 4.255 -6.150 1.00 0.00 O ATOM 263 CB THR A 20 2.280 7.580 -5.718 1.00 0.00 C ATOM 264 OG1 THR A 20 1.931 8.438 -4.655 1.00 0.00 O ATOM 265 CG2 THR A 20 1.443 8.026 -6.927 1.00 0.00 C ATOM 0 H THR A 20 4.089 5.462 -4.891 1.00 0.00 H new ATOM 0 HA THR A 20 1.192 6.136 -4.615 1.00 0.00 H new ATOM 0 HB THR A 20 3.312 7.622 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.835 7.916 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.675 9.063 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.676 7.394 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.383 7.937 -6.688 1.00 0.00 H new ATOM 273 N VAL A 21 2.765 5.134 -7.307 1.00 0.00 N ATOM 274 CA VAL A 21 2.842 4.306 -8.517 1.00 0.00 C ATOM 275 C VAL A 21 1.768 4.561 -9.567 1.00 0.00 C ATOM 276 O VAL A 21 0.722 5.164 -9.316 1.00 0.00 O ATOM 277 CB VAL A 21 2.971 2.788 -8.150 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.686 1.948 -8.293 1.00 0.00 C ATOM 279 CG2 VAL A 21 4.066 2.119 -8.994 1.00 0.00 C ATOM 0 H VAL A 21 3.506 5.835 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 21 3.756 4.627 -9.017 1.00 0.00 H new ATOM 0 HB VAL A 21 3.217 2.802 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.893 0.915 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.912 2.353 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.343 1.981 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.140 1.065 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.815 2.206 -10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.021 2.610 -8.806 1.00 0.00 H new ATOM 289 N THR A 22 2.109 4.112 -10.779 1.00 0.00 N ATOM 290 CA THR A 22 1.291 4.266 -11.972 1.00 0.00 C ATOM 291 C THR A 22 1.203 2.922 -12.699 1.00 0.00 C ATOM 292 O THR A 22 2.211 2.411 -13.192 1.00 0.00 O ATOM 293 CB THR A 22 1.839 5.443 -12.810 1.00 0.00 C ATOM 294 OG1 THR A 22 0.944 5.689 -13.868 1.00 0.00 O ATOM 295 CG2 THR A 22 3.250 5.285 -13.392 1.00 0.00 C ATOM 0 H THR A 22 2.985 3.620 -10.955 1.00 0.00 H new ATOM 0 HA THR A 22 0.261 4.532 -11.736 1.00 0.00 H new ATOM 0 HB THR A 22 1.924 6.270 -12.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.275 6.435 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.513 6.179 -13.957 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.965 5.145 -12.581 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.276 4.418 -14.052 1.00 0.00 H new ATOM 303 N ILE A 23 0.009 2.320 -12.685 1.00 0.00 N ATOM 304 CA ILE A 23 -0.270 1.027 -13.345 1.00 0.00 C ATOM 305 C ILE A 23 -1.543 1.125 -14.183 1.00 0.00 C ATOM 306 O ILE A 23 -2.148 2.190 -14.224 1.00 0.00 O ATOM 307 CB ILE A 23 -0.393 -0.144 -12.334 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.528 0.069 -11.292 1.00 0.00 C ATOM 309 CG2 ILE A 23 0.961 -0.431 -11.675 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.410 -1.174 -11.170 1.00 0.00 C ATOM 0 H ILE A 23 -0.803 2.716 -12.212 1.00 0.00 H new ATOM 0 HA ILE A 23 0.581 0.810 -13.991 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.686 -1.030 -12.898 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.093 0.306 -10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.138 0.923 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.855 -1.255 -10.969 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.689 -0.700 -12.441 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.304 0.458 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.194 -0.993 -10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.864 -1.395 -12.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.803 -2.021 -10.852 1.00 0.00 H new ATOM 322 N LYS A 24 -1.983 0.034 -14.835 1.00 0.00 N ATOM 323 CA LYS A 24 -3.232 0.086 -15.605 1.00 0.00 C ATOM 324 C LYS A 24 -4.357 -0.855 -15.184 1.00 0.00 C ATOM 325 O LYS A 24 -4.227 -1.717 -14.322 1.00 0.00 O ATOM 326 CB LYS A 24 -2.928 -0.014 -17.108 1.00 0.00 C ATOM 327 CG LYS A 24 -2.772 -1.389 -17.766 1.00 0.00 C ATOM 328 CD LYS A 24 -3.335 -1.335 -19.200 1.00 0.00 C ATOM 329 CE LYS A 24 -2.576 -0.361 -20.122 1.00 0.00 C ATOM 330 NZ LYS A 24 -3.198 0.990 -20.208 1.00 0.00 N ATOM 0 H LYS A 24 -1.507 -0.868 -14.844 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.655 1.061 -15.363 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.725 0.510 -17.636 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.007 0.540 -17.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.721 -1.678 -17.786 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.299 -2.145 -17.184 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.300 -2.335 -19.633 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.384 -1.041 -19.159 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.552 -0.258 -19.762 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.521 -0.790 -21.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.800 1.504 -21.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.226 0.892 -20.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.002 1.518 -19.334 1.00 0.00 H new ATOM 344 N ALA A 25 -5.476 -0.660 -15.875 1.00 0.00 N ATOM 345 CA ALA A 25 -6.706 -1.405 -15.759 1.00 0.00 C ATOM 346 C ALA A 25 -6.438 -2.913 -15.954 1.00 0.00 C ATOM 347 O ALA A 25 -6.250 -3.372 -17.086 1.00 0.00 O ATOM 348 CB ALA A 25 -7.679 -0.824 -16.794 1.00 0.00 C ATOM 0 H ALA A 25 -5.542 0.077 -16.578 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.148 -1.313 -14.767 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.627 -1.359 -16.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.846 0.232 -16.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.255 -0.932 -17.792 1.00 0.00 H new ATOM 354 N GLY A 26 -6.360 -3.653 -14.839 1.00 0.00 N ATOM 355 CA GLY A 26 -6.072 -5.082 -14.788 1.00 0.00 C ATOM 356 C GLY A 26 -4.634 -5.444 -14.407 1.00 0.00 C ATOM 357 O GLY A 26 -4.323 -6.631 -14.380 1.00 0.00 O ATOM 0 H GLY A 26 -6.503 -3.250 -13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.749 -5.547 -14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.293 -5.516 -15.763 1.00 0.00 H new ATOM 361 N GLU A 27 -3.735 -4.482 -14.163 1.00 0.00 N ATOM 362 CA GLU A 27 -2.316 -4.705 -13.821 1.00 0.00 C ATOM 363 C GLU A 27 -2.075 -5.080 -12.332 1.00 0.00 C ATOM 364 O GLU A 27 -3.037 -5.225 -11.571 1.00 0.00 O ATOM 365 CB GLU A 27 -1.553 -3.457 -14.274 1.00 0.00 C ATOM 366 CG GLU A 27 -0.034 -3.652 -14.259 1.00 0.00 C ATOM 367 CD GLU A 27 0.684 -2.835 -15.323 1.00 0.00 C ATOM 368 OE1 GLU A 27 0.515 -1.593 -15.364 1.00 0.00 O ATOM 369 OE2 GLU A 27 1.567 -3.428 -15.978 1.00 0.00 O ATOM 0 H GLU A 27 -3.979 -3.492 -14.198 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.942 -5.585 -14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.870 -3.189 -15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.814 -2.621 -13.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.352 -3.378 -13.277 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.192 -4.708 -14.406 1.00 0.00 H new ATOM 376 N GLU A 28 -0.810 -5.275 -11.890 1.00 0.00 N ATOM 377 CA GLU A 28 -0.517 -5.681 -10.500 1.00 0.00 C ATOM 378 C GLU A 28 0.413 -4.700 -9.785 1.00 0.00 C ATOM 379 O GLU A 28 1.265 -4.036 -10.391 1.00 0.00 O ATOM 380 CB GLU A 28 0.171 -7.081 -10.400 1.00 0.00 C ATOM 381 CG GLU A 28 1.710 -7.179 -10.170 1.00 0.00 C ATOM 382 CD GLU A 28 2.231 -8.599 -9.824 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.620 -9.217 -8.927 1.00 0.00 O ATOM 384 OE2 GLU A 28 3.286 -9.029 -10.365 1.00 0.00 O ATOM 0 H GLU A 28 0.018 -5.158 -12.474 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.499 -5.705 -10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.313 -7.623 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.054 -7.619 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.220 -6.830 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.986 -6.500 -9.363 1.00 0.00 H new ATOM 391 N VAL A 29 0.278 -4.713 -8.457 1.00 0.00 N ATOM 392 CA VAL A 29 1.048 -3.952 -7.482 1.00 0.00 C ATOM 393 C VAL A 29 1.165 -4.846 -6.240 1.00 0.00 C ATOM 394 O VAL A 29 0.181 -5.038 -5.516 1.00 0.00 O ATOM 395 CB VAL A 29 0.337 -2.649 -7.116 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.126 -1.843 -6.077 1.00 0.00 C ATOM 397 CG2 VAL A 29 0.072 -1.707 -8.295 1.00 0.00 C ATOM 0 H VAL A 29 -0.424 -5.300 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 29 2.024 -3.683 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.620 -2.991 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.588 -0.924 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.243 -2.435 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.109 -1.595 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.435 -0.811 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.019 -1.428 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.556 -2.211 -9.029 1.00 0.00 H new ATOM 407 N LYS A 30 2.346 -5.438 -6.009 1.00 0.00 N ATOM 408 CA LYS A 30 2.604 -6.324 -4.867 1.00 0.00 C ATOM 409 C LYS A 30 3.483 -5.612 -3.841 1.00 0.00 C ATOM 410 O LYS A 30 4.639 -5.295 -4.102 1.00 0.00 O ATOM 411 CB LYS A 30 3.164 -7.672 -5.359 1.00 0.00 C ATOM 412 CG LYS A 30 4.521 -7.650 -6.062 1.00 0.00 C ATOM 413 CD LYS A 30 4.734 -8.939 -6.873 1.00 0.00 C ATOM 414 CE LYS A 30 5.828 -8.725 -7.915 1.00 0.00 C ATOM 415 NZ LYS A 30 5.351 -7.918 -9.060 1.00 0.00 N ATOM 0 H LYS A 30 3.156 -5.313 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 30 1.675 -6.561 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.239 -8.340 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.437 -8.111 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.580 -6.785 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.316 -7.543 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.010 -9.756 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.804 -9.228 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.679 -8.228 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.181 -9.692 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.161 -7.638 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.687 -8.481 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.869 -7.066 -8.708 1.00 0.00 H new ATOM 429 N TRP A 31 2.912 -5.325 -2.669 1.00 0.00 N ATOM 430 CA TRP A 31 3.528 -4.680 -1.506 1.00 0.00 C ATOM 431 C TRP A 31 3.714 -5.477 -0.220 1.00 0.00 C ATOM 432 O TRP A 31 2.784 -5.928 0.459 1.00 0.00 O ATOM 433 CB TRP A 31 2.879 -3.311 -1.277 1.00 0.00 C ATOM 434 CG TRP A 31 1.477 -2.967 -1.664 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.501 -3.714 -2.229 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.072 -1.597 -1.877 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.405 -2.881 -2.854 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.098 -1.560 -2.676 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.678 -0.378 -1.551 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.658 -0.370 -3.143 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.142 0.821 -2.021 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.025 0.839 -2.809 1.00 0.00 C ATOM 0 H TRP A 31 1.934 -5.554 -2.495 1.00 0.00 H new ATOM 0 HA TRP A 31 4.574 -4.579 -1.795 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.954 -3.116 -0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.518 -2.585 -1.779 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.440 -4.792 -2.196 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.210 -3.212 -3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.564 -0.366 -0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.554 -0.378 -3.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.631 1.752 -1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.432 1.778 -3.155 1.00 0.00 H new ATOM 453 N VAL A 32 5.023 -5.588 0.063 1.00 0.00 N ATOM 454 CA VAL A 32 5.654 -6.323 1.162 1.00 0.00 C ATOM 455 C VAL A 32 6.216 -5.468 2.294 1.00 0.00 C ATOM 456 O VAL A 32 6.685 -4.354 2.090 1.00 0.00 O ATOM 457 CB VAL A 32 6.783 -7.182 0.543 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.410 -8.186 1.531 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.401 -7.956 -0.741 1.00 0.00 C ATOM 0 H VAL A 32 5.720 -5.127 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 32 4.874 -6.916 1.639 1.00 0.00 H new ATOM 0 HB VAL A 32 7.512 -6.418 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.193 -8.752 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.839 -7.646 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.642 -8.871 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.262 -8.525 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.579 -8.638 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.093 -7.251 -1.513 1.00 0.00 H new ATOM 469 N ASN A 33 6.201 -6.038 3.502 1.00 0.00 N ATOM 470 CA ASN A 33 6.712 -5.480 4.763 1.00 0.00 C ATOM 471 C ASN A 33 8.239 -5.599 4.806 1.00 0.00 C ATOM 472 O ASN A 33 8.750 -6.698 5.020 1.00 0.00 O ATOM 473 CB ASN A 33 6.044 -6.231 5.932 1.00 0.00 C ATOM 474 CG ASN A 33 5.661 -5.387 7.131 1.00 0.00 C ATOM 475 OD1 ASN A 33 4.836 -4.502 7.030 1.00 0.00 O ATOM 476 ND2 ASN A 33 6.048 -5.731 8.336 1.00 0.00 N ATOM 0 H ASN A 33 5.804 -6.968 3.637 1.00 0.00 H new ATOM 0 HA ASN A 33 6.470 -4.420 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.146 -6.722 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.721 -7.017 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.657 -5.259 9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.740 -6.471 8.458 1.00 0.00 H new ATOM 483 N ASN A 34 8.980 -4.502 4.632 1.00 0.00 N ATOM 484 CA ASN A 34 10.440 -4.509 4.604 1.00 0.00 C ATOM 485 C ASN A 34 11.108 -3.821 5.796 1.00 0.00 C ATOM 486 O ASN A 34 12.158 -4.322 6.208 1.00 0.00 O ATOM 487 CB ASN A 34 10.889 -3.871 3.286 1.00 0.00 C ATOM 488 CG ASN A 34 12.407 -3.769 3.144 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.086 -4.709 2.759 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.951 -2.571 3.314 1.00 0.00 N ATOM 0 H ASN A 34 8.576 -3.574 4.505 1.00 0.00 H new ATOM 0 HA ASN A 34 10.762 -5.548 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.493 -4.455 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.457 -2.873 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.943 -2.430 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.377 -1.791 3.636 1.00 0.00 H new ATOM 497 N LYS A 35 10.583 -2.698 6.328 1.00 0.00 N ATOM 498 CA LYS A 35 11.322 -2.075 7.448 1.00 0.00 C ATOM 499 C LYS A 35 10.713 -1.028 8.382 1.00 0.00 C ATOM 500 O LYS A 35 10.338 0.072 7.985 1.00 0.00 O ATOM 501 CB LYS A 35 12.697 -1.526 6.979 1.00 0.00 C ATOM 502 CG LYS A 35 13.766 -1.671 8.076 1.00 0.00 C ATOM 503 CD LYS A 35 15.155 -1.183 7.639 1.00 0.00 C ATOM 504 CE LYS A 35 15.757 -2.063 6.535 1.00 0.00 C ATOM 505 NZ LYS A 35 17.116 -1.609 6.161 1.00 0.00 N ATOM 0 H LYS A 35 9.724 -2.234 6.033 1.00 0.00 H new ATOM 0 HA LYS A 35 11.340 -2.957 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.017 -2.060 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.596 -0.476 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.452 -1.110 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.833 -2.718 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.082 -0.155 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.823 -1.175 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.798 -3.098 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.111 -2.041 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.313 -1.878 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.175 -0.575 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.816 -2.055 6.788 1.00 0.00 H new ATOM 519 N LEU A 36 10.749 -1.410 9.668 1.00 0.00 N ATOM 520 CA LEU A 36 10.313 -0.722 10.889 1.00 0.00 C ATOM 521 C LEU A 36 8.819 -0.966 11.134 1.00 0.00 C ATOM 522 O LEU A 36 8.013 -0.042 11.211 1.00 0.00 O ATOM 523 CB LEU A 36 10.715 0.772 10.841 1.00 0.00 C ATOM 524 CG LEU A 36 10.624 1.512 12.189 1.00 0.00 C ATOM 525 CD1 LEU A 36 11.440 0.839 13.296 1.00 0.00 C ATOM 526 CD2 LEU A 36 11.169 2.929 12.013 1.00 0.00 C ATOM 0 H LEU A 36 11.134 -2.325 9.903 1.00 0.00 H new ATOM 0 HA LEU A 36 10.827 -1.138 11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.737 0.846 10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.077 1.282 10.119 1.00 0.00 H new ATOM 0 HG LEU A 36 9.575 1.504 12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.336 1.406 14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.076 -0.177 13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.490 0.807 13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.109 3.462 12.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.208 2.881 11.688 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.578 3.455 11.263 1.00 0.00 H new ATOM 538 N SER A 37 8.476 -2.260 11.143 1.00 0.00 N ATOM 539 CA SER A 37 7.155 -2.866 11.327 1.00 0.00 C ATOM 540 C SER A 37 6.470 -2.407 12.620 1.00 0.00 C ATOM 541 O SER A 37 7.152 -2.070 13.595 1.00 0.00 O ATOM 542 CB SER A 37 7.329 -4.388 11.364 1.00 0.00 C ATOM 543 OG SER A 37 8.070 -4.832 10.245 1.00 0.00 O ATOM 0 H SER A 37 9.188 -2.978 11.008 1.00 0.00 H new ATOM 0 HA SER A 37 6.520 -2.553 10.498 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.838 -4.679 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.352 -4.871 11.375 1.00 0.00 H new ATOM 0 HG SER A 37 8.173 -5.806 10.286 1.00 0.00 H new ATOM 549 N PRO A 38 5.126 -2.453 12.674 1.00 0.00 N ATOM 550 CA PRO A 38 4.197 -2.910 11.635 1.00 0.00 C ATOM 551 C PRO A 38 3.880 -1.859 10.550 1.00 0.00 C ATOM 552 O PRO A 38 4.212 -0.677 10.663 1.00 0.00 O ATOM 553 CB PRO A 38 2.947 -3.318 12.403 1.00 0.00 C ATOM 554 CG PRO A 38 2.899 -2.276 13.519 1.00 0.00 C ATOM 555 CD PRO A 38 4.377 -2.116 13.878 1.00 0.00 C ATOM 0 HA PRO A 38 4.639 -3.725 11.062 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.056 -3.285 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.023 -4.332 12.796 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.459 -1.338 13.181 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.308 -2.617 14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.592 -1.096 14.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.651 -2.773 14.703 1.00 0.00 H new ATOM 563 N HIS A 39 3.242 -2.355 9.487 1.00 0.00 N ATOM 564 CA HIS A 39 2.718 -1.720 8.275 1.00 0.00 C ATOM 565 C HIS A 39 1.656 -2.408 7.421 1.00 0.00 C ATOM 566 O HIS A 39 1.694 -3.577 7.077 1.00 0.00 O ATOM 567 CB HIS A 39 3.927 -1.103 7.520 1.00 0.00 C ATOM 568 CG HIS A 39 5.369 -1.584 7.624 1.00 0.00 C ATOM 569 ND1 HIS A 39 6.126 -0.921 8.564 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.285 -2.225 6.821 1.00 0.00 C ATOM 571 CE1 HIS A 39 7.416 -1.151 8.321 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.561 -2.012 7.320 1.00 0.00 N ATOM 0 H HIS A 39 3.055 -3.357 9.454 1.00 0.00 H new ATOM 0 HA HIS A 39 2.024 -0.953 8.619 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.673 -1.151 6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.944 -0.049 7.796 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.759 -0.347 9.323 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.047 -2.803 5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.233 -0.699 8.864 1.00 0.00 H new ATOM 580 N ASN A 40 0.579 -1.619 7.226 1.00 0.00 N ATOM 581 CA ASN A 40 -0.673 -1.925 6.539 1.00 0.00 C ATOM 582 C ASN A 40 -0.942 -1.137 5.245 1.00 0.00 C ATOM 583 O ASN A 40 -0.384 -0.060 5.034 1.00 0.00 O ATOM 584 CB ASN A 40 -1.745 -1.688 7.645 1.00 0.00 C ATOM 585 CG ASN A 40 -3.175 -1.369 7.234 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.498 -0.221 6.982 1.00 0.00 O ATOM 587 ND2 ASN A 40 -4.083 -2.323 7.241 1.00 0.00 N ATOM 0 H ASN A 40 0.573 -0.664 7.583 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.667 -2.941 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.774 -2.580 8.271 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.393 -0.870 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.057 -2.101 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.812 -3.283 7.452 1.00 0.00 H new ATOM 594 N ILE A 41 -1.907 -1.631 4.451 1.00 0.00 N ATOM 595 CA ILE A 41 -2.379 -1.046 3.196 1.00 0.00 C ATOM 596 C ILE A 41 -3.893 -0.813 3.242 1.00 0.00 C ATOM 597 O ILE A 41 -4.642 -1.780 3.222 1.00 0.00 O ATOM 598 CB ILE A 41 -1.961 -1.893 1.964 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.425 -1.885 1.772 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.649 -1.247 0.727 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.247 -0.520 1.569 1.00 0.00 C ATOM 0 H ILE A 41 -2.400 -2.493 4.684 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.895 -0.076 3.081 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.263 -2.932 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.027 -2.358 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.188 -2.510 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.386 -1.808 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.730 -1.264 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.313 -0.215 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.321 -0.658 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.161 -0.043 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.058 0.111 2.437 1.00 0.00 H new ATOM 613 N VAL A 42 -4.368 0.444 3.317 1.00 0.00 N ATOM 614 CA VAL A 42 -5.816 0.768 3.314 1.00 0.00 C ATOM 615 C VAL A 42 -6.196 1.876 2.323 1.00 0.00 C ATOM 616 O VAL A 42 -5.730 3.006 2.449 1.00 0.00 O ATOM 617 CB VAL A 42 -6.369 1.120 4.706 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.570 -0.155 5.530 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.554 2.130 5.511 1.00 0.00 C ATOM 0 H VAL A 42 -3.765 1.264 3.381 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.283 -0.160 2.984 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.318 1.618 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.962 0.105 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.276 -0.810 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.615 -0.669 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.036 2.302 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.549 1.740 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.494 3.070 4.962 1.00 0.00 H new ATOM 629 N PHE A 43 -7.046 1.553 1.341 1.00 0.00 N ATOM 630 CA PHE A 43 -7.561 2.477 0.329 1.00 0.00 C ATOM 631 C PHE A 43 -8.743 3.274 0.898 1.00 0.00 C ATOM 632 O PHE A 43 -9.661 2.699 1.493 1.00 0.00 O ATOM 633 CB PHE A 43 -7.946 1.716 -0.943 1.00 0.00 C ATOM 634 CG PHE A 43 -6.739 1.319 -1.767 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.939 0.222 -1.400 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.381 2.085 -2.887 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.801 -0.111 -2.147 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.261 1.738 -3.657 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.460 0.653 -3.272 1.00 0.00 C ATOM 0 H PHE A 43 -7.406 0.605 1.227 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.780 3.187 0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.507 0.822 -0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.607 2.336 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.204 -0.369 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.972 2.948 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.189 -0.953 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.016 2.304 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.578 0.405 -3.844 1.00 0.00 H new ATOM 649 N ALA A 44 -8.697 4.594 0.716 1.00 0.00 N ATOM 650 CA ALA A 44 -9.663 5.588 1.200 1.00 0.00 C ATOM 651 C ALA A 44 -11.128 5.450 0.741 1.00 0.00 C ATOM 652 O ALA A 44 -11.961 6.214 1.233 1.00 0.00 O ATOM 653 CB ALA A 44 -9.119 6.975 0.830 1.00 0.00 C ATOM 0 H ALA A 44 -7.936 5.028 0.193 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.740 5.419 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.813 7.742 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.149 7.124 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.009 7.046 -0.252 1.00 0.00 H new ATOM 659 N ALA A 45 -11.440 4.468 -0.122 1.00 0.00 N ATOM 660 CA ALA A 45 -12.755 4.197 -0.712 1.00 0.00 C ATOM 661 C ALA A 45 -13.157 5.395 -1.584 1.00 0.00 C ATOM 662 O ALA A 45 -14.199 6.024 -1.412 1.00 0.00 O ATOM 663 CB ALA A 45 -13.770 3.836 0.387 1.00 0.00 C ATOM 0 H ALA A 45 -10.736 3.804 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.726 3.326 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.741 3.638 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.429 2.948 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.859 4.667 1.087 1.00 0.00 H new ATOM 669 N ASP A 46 -12.282 5.695 -2.547 1.00 0.00 N ATOM 670 CA ASP A 46 -12.351 6.798 -3.497 1.00 0.00 C ATOM 671 C ASP A 46 -13.432 6.698 -4.591 1.00 0.00 C ATOM 672 O ASP A 46 -13.768 7.747 -5.139 1.00 0.00 O ATOM 673 CB ASP A 46 -10.964 6.973 -4.167 1.00 0.00 C ATOM 674 CG ASP A 46 -9.755 6.786 -3.233 1.00 0.00 C ATOM 675 OD1 ASP A 46 -9.569 5.641 -2.765 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.969 7.749 -3.027 1.00 0.00 O ATOM 0 H ASP A 46 -11.446 5.128 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.644 7.662 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.882 6.260 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.913 7.970 -4.605 1.00 0.00 H new ATOM 681 N GLY A 47 -13.989 5.514 -4.927 1.00 0.00 N ATOM 682 CA GLY A 47 -14.983 5.473 -6.017 1.00 0.00 C ATOM 683 C GLY A 47 -15.856 4.227 -6.142 1.00 0.00 C ATOM 684 O GLY A 47 -16.847 4.109 -5.414 1.00 0.00 O ATOM 0 H GLY A 47 -13.781 4.618 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.643 6.333 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.451 5.605 -6.959 1.00 0.00 H new ATOM 688 N VAL A 48 -15.549 3.360 -7.122 1.00 0.00 N ATOM 689 CA VAL A 48 -16.331 2.144 -7.388 1.00 0.00 C ATOM 690 C VAL A 48 -15.518 0.841 -7.380 1.00 0.00 C ATOM 691 O VAL A 48 -16.122 -0.228 -7.502 1.00 0.00 O ATOM 692 CB VAL A 48 -17.171 2.282 -8.683 1.00 0.00 C ATOM 693 CG1 VAL A 48 -18.177 3.444 -8.583 1.00 0.00 C ATOM 694 CG2 VAL A 48 -16.340 2.454 -9.962 1.00 0.00 C ATOM 0 H VAL A 48 -14.754 3.483 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.009 2.055 -6.539 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.697 1.331 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.749 3.511 -9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.856 3.266 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.639 4.378 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -17.007 2.543 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.730 3.354 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.692 1.587 -10.094 1.00 0.00 H new ATOM 704 N ASP A 49 -14.173 0.875 -7.312 1.00 0.00 N ATOM 705 CA ASP A 49 -13.379 -0.366 -7.235 1.00 0.00 C ATOM 706 C ASP A 49 -13.634 -0.956 -5.828 1.00 0.00 C ATOM 707 O ASP A 49 -14.125 -0.276 -4.917 1.00 0.00 O ATOM 708 CB ASP A 49 -11.874 -0.130 -7.510 1.00 0.00 C ATOM 709 CG ASP A 49 -11.104 -1.347 -8.057 1.00 0.00 C ATOM 710 OD1 ASP A 49 -11.187 -2.425 -7.423 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.387 -1.186 -9.084 1.00 0.00 O ATOM 0 H ASP A 49 -13.621 1.733 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.687 -1.066 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.776 0.690 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.399 0.193 -6.584 1.00 0.00 H new ATOM 716 N ALA A 50 -13.284 -2.220 -5.625 1.00 0.00 N ATOM 717 CA ALA A 50 -13.538 -2.869 -4.347 1.00 0.00 C ATOM 718 C ALA A 50 -12.539 -2.520 -3.242 1.00 0.00 C ATOM 719 O ALA A 50 -11.687 -3.350 -2.929 1.00 0.00 O ATOM 720 CB ALA A 50 -13.690 -4.377 -4.586 1.00 0.00 C ATOM 0 H ALA A 50 -12.828 -2.810 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.472 -2.473 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.881 -4.878 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.524 -4.556 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.773 -4.770 -5.026 1.00 0.00 H new ATOM 726 N ASP A 51 -12.654 -1.349 -2.589 1.00 0.00 N ATOM 727 CA ASP A 51 -11.745 -1.001 -1.481 1.00 0.00 C ATOM 728 C ASP A 51 -11.670 -2.151 -0.448 1.00 0.00 C ATOM 729 O ASP A 51 -10.594 -2.580 -0.024 1.00 0.00 O ATOM 730 CB ASP A 51 -12.150 0.326 -0.799 1.00 0.00 C ATOM 731 CG ASP A 51 -13.433 0.203 0.040 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.420 -0.293 -0.538 1.00 0.00 O ATOM 733 OD2 ASP A 51 -13.420 0.517 1.254 1.00 0.00 O ATOM 0 H ASP A 51 -13.354 -0.639 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.753 -0.857 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.335 0.663 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.293 1.091 -1.562 1.00 0.00 H new ATOM 738 N THR A 52 -12.832 -2.742 -0.132 1.00 0.00 N ATOM 739 CA THR A 52 -13.011 -3.878 0.789 1.00 0.00 C ATOM 740 C THR A 52 -12.323 -5.200 0.388 1.00 0.00 C ATOM 741 O THR A 52 -12.426 -6.182 1.124 1.00 0.00 O ATOM 742 CB THR A 52 -14.512 -4.116 1.013 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.692 -5.107 1.999 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.262 -4.561 -0.249 1.00 0.00 C ATOM 0 H THR A 52 -13.716 -2.426 -0.530 1.00 0.00 H new ATOM 0 HA THR A 52 -12.503 -3.580 1.706 1.00 0.00 H new ATOM 0 HB THR A 52 -14.925 -3.156 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.978 -5.774 1.927 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.316 -4.709 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.167 -3.794 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.837 -5.496 -0.614 1.00 0.00 H new ATOM 752 N ALA A 53 -11.694 -5.249 -0.787 1.00 0.00 N ATOM 753 CA ALA A 53 -10.949 -6.391 -1.318 1.00 0.00 C ATOM 754 C ALA A 53 -9.577 -5.976 -1.892 1.00 0.00 C ATOM 755 O ALA A 53 -8.674 -6.809 -1.969 1.00 0.00 O ATOM 756 CB ALA A 53 -11.811 -7.113 -2.356 1.00 0.00 C ATOM 0 H ALA A 53 -11.690 -4.454 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.730 -7.078 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.262 -7.965 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.730 -7.462 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.056 -6.427 -3.167 1.00 0.00 H new ATOM 762 N ALA A 54 -9.390 -4.685 -2.206 1.00 0.00 N ATOM 763 CA ALA A 54 -8.172 -4.080 -2.715 1.00 0.00 C ATOM 764 C ALA A 54 -7.281 -3.553 -1.582 1.00 0.00 C ATOM 765 O ALA A 54 -6.189 -3.063 -1.862 1.00 0.00 O ATOM 766 CB ALA A 54 -8.574 -2.943 -3.662 1.00 0.00 C ATOM 0 H ALA A 54 -10.139 -4.001 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.587 -4.832 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.678 -2.468 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.168 -3.346 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.163 -2.206 -3.116 1.00 0.00 H new ATOM 772 N LYS A 55 -7.709 -3.681 -0.317 1.00 0.00 N ATOM 773 CA LYS A 55 -6.985 -3.188 0.842 1.00 0.00 C ATOM 774 C LYS A 55 -6.989 -4.195 2.003 1.00 0.00 C ATOM 775 O LYS A 55 -7.892 -5.028 2.101 1.00 0.00 O ATOM 776 CB LYS A 55 -7.586 -1.815 1.160 1.00 0.00 C ATOM 777 CG LYS A 55 -8.671 -1.777 2.251 1.00 0.00 C ATOM 778 CD LYS A 55 -9.402 -0.428 2.236 1.00 0.00 C ATOM 779 CE LYS A 55 -10.825 -0.524 2.771 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.420 0.826 2.895 1.00 0.00 N ATOM 0 H LYS A 55 -8.587 -4.141 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.919 -3.071 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.777 -1.149 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.010 -1.407 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.384 -2.585 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.218 -1.941 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.841 0.291 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.427 -0.044 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.431 -1.136 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.823 -1.018 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.393 0.811 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.430 1.110 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.855 1.506 2.348 1.00 0.00 H new ATOM 794 N LEU A 56 -5.981 -4.104 2.877 1.00 0.00 N ATOM 795 CA LEU A 56 -5.848 -4.945 4.062 1.00 0.00 C ATOM 796 C LEU A 56 -7.003 -4.636 5.034 1.00 0.00 C ATOM 797 O LEU A 56 -7.512 -3.518 5.087 1.00 0.00 O ATOM 798 CB LEU A 56 -4.466 -4.784 4.735 1.00 0.00 C ATOM 799 CG LEU A 56 -3.298 -5.538 4.058 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.993 -5.264 4.816 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.500 -7.063 4.079 1.00 0.00 C ATOM 0 H LEU A 56 -5.223 -3.430 2.775 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.911 -5.991 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.219 -3.723 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.544 -5.124 5.768 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.259 -5.184 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.174 -5.798 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.784 -4.194 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.092 -5.605 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.654 -7.549 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.571 -7.406 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.418 -7.316 3.549 1.00 0.00 H new ATOM 813 N SER A 57 -7.345 -5.624 5.861 1.00 0.00 N ATOM 814 CA SER A 57 -8.387 -5.773 6.887 1.00 0.00 C ATOM 815 C SER A 57 -8.432 -4.796 8.045 1.00 0.00 C ATOM 816 O SER A 57 -8.727 -5.211 9.163 1.00 0.00 O ATOM 817 CB SER A 57 -8.373 -7.261 7.303 1.00 0.00 C ATOM 818 OG SER A 57 -7.047 -7.776 7.316 1.00 0.00 O ATOM 0 H SER A 57 -6.803 -6.487 5.819 1.00 0.00 H new ATOM 0 HA SER A 57 -9.330 -5.476 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.818 -7.370 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.985 -7.841 6.612 1.00 0.00 H new ATOM 0 HG SER A 57 -7.065 -8.718 7.584 1.00 0.00 H new ATOM 824 N HIS A 58 -8.236 -3.509 7.703 1.00 0.00 N ATOM 825 CA HIS A 58 -8.140 -2.194 8.364 1.00 0.00 C ATOM 826 C HIS A 58 -7.351 -2.175 9.656 1.00 0.00 C ATOM 827 O HIS A 58 -6.640 -1.217 9.971 1.00 0.00 O ATOM 828 CB HIS A 58 -9.536 -1.560 8.528 1.00 0.00 C ATOM 829 CG HIS A 58 -9.743 -0.463 7.515 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.379 0.852 7.685 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.122 -0.622 6.212 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.502 1.469 6.491 1.00 0.00 C ATOM 833 NE2 HIS A 58 -9.969 0.614 5.571 1.00 0.00 N ATOM 0 H HIS A 58 -8.112 -3.339 6.705 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.547 -1.577 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.305 -2.324 8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.642 -1.157 9.535 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.071 1.283 8.557 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.476 -1.536 5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.259 2.504 6.304 1.00 0.00 H new ATOM 841 N LYS A 59 -7.506 -3.253 10.402 1.00 0.00 N ATOM 842 CA LYS A 59 -6.836 -3.523 11.645 1.00 0.00 C ATOM 843 C LYS A 59 -5.861 -4.686 11.386 1.00 0.00 C ATOM 844 O LYS A 59 -4.975 -4.906 12.206 1.00 0.00 O ATOM 845 CB LYS A 59 -7.888 -3.719 12.751 1.00 0.00 C ATOM 846 CG LYS A 59 -7.470 -3.049 14.076 1.00 0.00 C ATOM 847 CD LYS A 59 -7.110 -1.542 13.979 1.00 0.00 C ATOM 848 CE LYS A 59 -8.070 -0.667 13.136 1.00 0.00 C ATOM 849 NZ LYS A 59 -7.344 0.193 12.162 1.00 0.00 N ATOM 0 H LYS A 59 -8.143 -4.004 10.134 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.225 -2.701 12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.841 -3.305 12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.044 -4.785 12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.282 -3.165 14.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.610 -3.585 14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.070 -1.133 14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.108 -1.455 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.767 -1.310 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.663 -0.038 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.027 0.772 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.685 0.815 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.812 -0.406 11.499 1.00 0.00 H new ATOM 863 N GLY A 60 -5.977 -5.401 10.241 1.00 0.00 N ATOM 864 CA GLY A 60 -5.045 -6.468 9.876 1.00 0.00 C ATOM 865 C GLY A 60 -3.847 -5.700 9.307 1.00 0.00 C ATOM 866 O GLY A 60 -4.016 -4.731 8.556 1.00 0.00 O ATOM 0 H GLY A 60 -6.717 -5.247 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.764 -7.071 10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.476 -7.146 9.140 1.00 0.00 H new ATOM 870 N LEU A 61 -2.640 -6.126 9.657 1.00 0.00 N ATOM 871 CA LEU A 61 -1.389 -5.475 9.258 1.00 0.00 C ATOM 872 C LEU A 61 -0.225 -6.422 9.041 1.00 0.00 C ATOM 873 O LEU A 61 -0.328 -7.603 9.382 1.00 0.00 O ATOM 874 CB LEU A 61 -1.051 -4.441 10.363 1.00 0.00 C ATOM 875 CG LEU A 61 -0.456 -4.986 11.692 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.459 -3.866 12.736 1.00 0.00 C ATOM 877 CD2 LEU A 61 -1.201 -6.151 12.356 1.00 0.00 C ATOM 0 H LEU A 61 -2.495 -6.951 10.239 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.542 -5.010 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.345 -3.722 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.962 -3.892 10.601 1.00 0.00 H new ATOM 0 HG LEU A 61 0.528 -5.351 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.043 -4.240 13.672 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.145 -3.033 12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.481 -3.527 12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.686 -6.437 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.220 -5.844 12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.228 -7.001 11.675 1.00 0.00 H new ATOM 889 N ALA A 62 0.883 -5.899 8.486 1.00 0.00 N ATOM 890 CA ALA A 62 2.039 -6.758 8.314 1.00 0.00 C ATOM 891 C ALA A 62 2.984 -6.352 9.439 1.00 0.00 C ATOM 892 O ALA A 62 3.548 -5.255 9.489 1.00 0.00 O ATOM 893 CB ALA A 62 2.550 -6.645 6.878 1.00 0.00 C ATOM 0 H ALA A 62 0.991 -4.936 8.168 1.00 0.00 H new ATOM 0 HA ALA A 62 1.858 -7.829 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.419 -7.291 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.765 -6.951 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.832 -5.612 6.672 1.00 0.00 H new ATOM 899 N PHE A 63 3.059 -7.226 10.436 1.00 0.00 N ATOM 900 CA PHE A 63 3.854 -7.035 11.645 1.00 0.00 C ATOM 901 C PHE A 63 5.242 -7.677 11.600 1.00 0.00 C ATOM 902 O PHE A 63 6.137 -7.182 12.280 1.00 0.00 O ATOM 903 CB PHE A 63 3.036 -7.476 12.867 1.00 0.00 C ATOM 904 CG PHE A 63 2.539 -8.908 12.792 1.00 0.00 C ATOM 905 CD1 PHE A 63 3.340 -9.959 13.274 1.00 0.00 C ATOM 906 CD2 PHE A 63 1.308 -9.194 12.170 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.916 -11.290 13.126 1.00 0.00 C ATOM 908 CE2 PHE A 63 0.888 -10.525 12.014 1.00 0.00 C ATOM 909 CZ PHE A 63 1.695 -11.573 12.492 1.00 0.00 C ATOM 0 H PHE A 63 2.554 -8.112 10.426 1.00 0.00 H new ATOM 0 HA PHE A 63 4.071 -5.970 11.724 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.648 -7.361 13.762 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.180 -6.810 12.978 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.281 -9.743 13.758 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.685 -8.387 11.812 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.529 -12.096 13.500 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.052 -10.743 11.528 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.375 -12.597 12.371 1.00 0.00 H new ATOM 919 N ALA A 64 5.457 -8.717 10.794 1.00 0.00 N ATOM 920 CA ALA A 64 6.743 -9.375 10.630 1.00 0.00 C ATOM 921 C ALA A 64 7.393 -8.907 9.317 1.00 0.00 C ATOM 922 O ALA A 64 6.722 -8.406 8.414 1.00 0.00 O ATOM 923 CB ALA A 64 6.545 -10.896 10.680 1.00 0.00 C ATOM 0 H ALA A 64 4.719 -9.132 10.225 1.00 0.00 H new ATOM 0 HA ALA A 64 7.420 -9.107 11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.508 -11.392 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.113 -11.175 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.874 -11.202 9.877 1.00 0.00 H new ATOM 929 N ALA A 65 8.708 -9.046 9.185 1.00 0.00 N ATOM 930 CA ALA A 65 9.434 -8.678 7.960 1.00 0.00 C ATOM 931 C ALA A 65 9.195 -9.770 6.904 1.00 0.00 C ATOM 932 O ALA A 65 9.507 -10.936 7.144 1.00 0.00 O ATOM 933 CB ALA A 65 10.926 -8.531 8.284 1.00 0.00 C ATOM 0 H ALA A 65 9.308 -9.417 9.922 1.00 0.00 H new ATOM 0 HA ALA A 65 9.078 -7.726 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.470 -8.258 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.060 -7.754 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.310 -9.477 8.667 1.00 0.00 H new ATOM 939 N GLY A 66 8.627 -9.397 5.754 1.00 0.00 N ATOM 940 CA GLY A 66 8.288 -10.310 4.668 1.00 0.00 C ATOM 941 C GLY A 66 6.780 -10.524 4.526 1.00 0.00 C ATOM 942 O GLY A 66 6.364 -11.135 3.542 1.00 0.00 O ATOM 0 H GLY A 66 8.386 -8.427 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.685 -9.918 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.772 -11.271 4.842 1.00 0.00 H new ATOM 946 N GLU A 67 5.954 -10.084 5.491 1.00 0.00 N ATOM 947 CA GLU A 67 4.497 -10.231 5.356 1.00 0.00 C ATOM 948 C GLU A 67 4.025 -9.300 4.220 1.00 0.00 C ATOM 949 O GLU A 67 4.603 -8.235 4.007 1.00 0.00 O ATOM 950 CB GLU A 67 3.793 -9.988 6.706 1.00 0.00 C ATOM 951 CG GLU A 67 3.828 -11.243 7.599 1.00 0.00 C ATOM 952 CD GLU A 67 3.113 -11.049 8.950 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.348 -9.983 9.576 1.00 0.00 O ATOM 954 OE2 GLU A 67 2.364 -11.970 9.355 1.00 0.00 O ATOM 0 H GLU A 67 6.262 -9.634 6.353 1.00 0.00 H new ATOM 0 HA GLU A 67 4.227 -11.251 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.275 -9.159 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.758 -9.695 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.364 -12.073 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.866 -11.522 7.782 1.00 0.00 H new ATOM 961 N SER A 68 3.003 -9.663 3.437 1.00 0.00 N ATOM 962 CA SER A 68 2.592 -8.798 2.310 1.00 0.00 C ATOM 963 C SER A 68 1.172 -9.009 1.839 1.00 0.00 C ATOM 964 O SER A 68 0.476 -9.919 2.302 1.00 0.00 O ATOM 965 CB SER A 68 3.517 -9.065 1.105 1.00 0.00 C ATOM 966 OG SER A 68 3.181 -10.232 0.382 1.00 0.00 O ATOM 0 H SER A 68 2.458 -10.518 3.550 1.00 0.00 H new ATOM 0 HA SER A 68 2.663 -7.777 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.481 -8.208 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.545 -9.150 1.458 1.00 0.00 H new ATOM 0 HG SER A 68 3.803 -10.343 -0.368 1.00 0.00 H new ATOM 972 N PHE A 69 0.752 -8.145 0.903 1.00 0.00 N ATOM 973 CA PHE A 69 -0.579 -8.338 0.351 1.00 0.00 C ATOM 974 C PHE A 69 -0.363 -7.876 -1.121 1.00 0.00 C ATOM 975 O PHE A 69 0.436 -6.962 -1.385 1.00 0.00 O ATOM 976 CB PHE A 69 -1.704 -7.504 1.023 1.00 0.00 C ATOM 977 CG PHE A 69 -2.245 -6.281 0.354 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.485 -5.130 0.154 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.576 -6.355 -0.112 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.079 -4.059 -0.515 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.166 -5.267 -0.766 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.411 -4.103 -0.953 1.00 0.00 C ATOM 0 H PHE A 69 1.283 -7.355 0.536 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.928 -9.361 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.545 -8.176 1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.337 -7.199 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.466 -5.069 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.145 -7.261 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.496 -3.169 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.185 -5.324 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.852 -3.242 -1.433 1.00 0.00 H new ATOM 992 N THR A 70 -1.004 -8.490 -2.120 1.00 0.00 N ATOM 993 CA THR A 70 -0.867 -8.046 -3.514 1.00 0.00 C ATOM 994 C THR A 70 -2.212 -7.528 -3.991 1.00 0.00 C ATOM 995 O THR A 70 -3.261 -8.085 -3.659 1.00 0.00 O ATOM 996 CB THR A 70 -0.270 -9.150 -4.399 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.033 -8.625 -5.688 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.100 -10.431 -4.514 1.00 0.00 C ATOM 0 H THR A 70 -1.621 -9.292 -1.992 1.00 0.00 H new ATOM 0 HA THR A 70 -0.154 -7.225 -3.584 1.00 0.00 H new ATOM 0 HB THR A 70 0.651 -9.456 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.350 -9.323 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.585 -11.141 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.230 -10.870 -3.525 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.076 -10.195 -4.938 1.00 0.00 H new ATOM 1006 N SER A 71 -2.165 -6.427 -4.752 1.00 0.00 N ATOM 1007 CA SER A 71 -3.308 -5.718 -5.282 1.00 0.00 C ATOM 1008 C SER A 71 -3.275 -5.652 -6.799 1.00 0.00 C ATOM 1009 O SER A 71 -2.224 -5.446 -7.412 1.00 0.00 O ATOM 1010 CB SER A 71 -3.308 -4.313 -4.683 1.00 0.00 C ATOM 1011 OG SER A 71 -2.125 -3.589 -4.958 1.00 0.00 O ATOM 0 H SER A 71 -1.280 -5.996 -5.020 1.00 0.00 H new ATOM 0 HA SER A 71 -4.221 -6.249 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.163 -3.760 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.439 -4.386 -3.603 1.00 0.00 H new ATOM 0 HG SER A 71 -1.404 -4.214 -5.183 1.00 0.00 H new ATOM 1017 N THR A 72 -4.462 -5.808 -7.376 1.00 0.00 N ATOM 1018 CA THR A 72 -4.737 -5.746 -8.799 1.00 0.00 C ATOM 1019 C THR A 72 -6.101 -5.083 -8.894 1.00 0.00 C ATOM 1020 O THR A 72 -7.048 -5.543 -8.257 1.00 0.00 O ATOM 1021 CB THR A 72 -4.765 -7.148 -9.436 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.445 -7.506 -9.736 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.551 -7.247 -10.750 1.00 0.00 C ATOM 0 H THR A 72 -5.303 -5.991 -6.828 1.00 0.00 H new ATOM 0 HA THR A 72 -3.964 -5.196 -9.336 1.00 0.00 H new ATOM 0 HB THR A 72 -5.259 -7.797 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.115 -6.950 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.513 -8.271 -11.121 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.589 -6.963 -10.576 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.111 -6.577 -11.489 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.205 -4.007 -9.666 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.415 -3.215 -9.844 1.00 0.00 C ATOM 1033 C PHE A 73 -7.675 -2.626 -11.224 1.00 0.00 C ATOM 1034 O PHE A 73 -6.834 -2.729 -12.119 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.482 -2.209 -8.691 1.00 0.00 C ATOM 1036 CG PHE A 73 -6.251 -1.676 -7.994 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -5.257 -0.889 -8.604 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.170 -1.964 -6.624 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -4.168 -0.430 -7.829 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -5.117 -1.474 -5.849 1.00 0.00 C ATOM 1041 CZ PHE A 73 -4.088 -0.749 -6.458 1.00 0.00 C ATOM 0 H PHE A 73 -5.417 -3.649 -10.206 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.261 -3.901 -9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.025 -1.342 -9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.103 -2.663 -7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.325 -0.639 -9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.933 -2.573 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.394 0.167 -8.289 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.097 -1.654 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.233 -0.434 -5.879 1.00 0.00 H new ATOM 1051 N THR A 74 -8.872 -2.035 -11.417 1.00 0.00 N ATOM 1052 CA THR A 74 -9.242 -1.505 -12.738 1.00 0.00 C ATOM 1053 C THR A 74 -10.236 -0.323 -12.868 1.00 0.00 C ATOM 1054 O THR A 74 -11.051 -0.303 -13.800 1.00 0.00 O ATOM 1055 CB THR A 74 -9.691 -2.742 -13.549 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.873 -2.383 -14.883 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.984 -3.401 -13.057 1.00 0.00 C ATOM 0 H THR A 74 -9.580 -1.916 -10.693 1.00 0.00 H new ATOM 0 HA THR A 74 -8.359 -0.988 -13.114 1.00 0.00 H new ATOM 0 HB THR A 74 -8.894 -3.474 -13.419 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.337 -1.521 -14.929 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.218 -4.259 -13.687 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.854 -3.732 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.801 -2.681 -13.106 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.108 0.731 -12.056 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.973 1.928 -12.129 1.00 0.00 C ATOM 1067 C GLU A 75 -10.138 3.160 -12.586 1.00 0.00 C ATOM 1068 O GLU A 75 -9.484 3.805 -11.768 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.762 2.087 -10.784 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.343 3.076 -9.669 1.00 0.00 C ATOM 1071 CD GLU A 75 -12.420 3.283 -8.597 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -13.478 3.843 -8.942 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -12.247 2.916 -7.418 1.00 0.00 O ATOM 0 H GLU A 75 -9.400 0.785 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.743 1.824 -12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.786 2.344 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.792 1.099 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.434 2.710 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.101 4.038 -10.120 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.129 3.502 -13.898 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.339 4.610 -14.457 1.00 0.00 C ATOM 1082 C PRO A 76 -9.510 5.966 -13.738 1.00 0.00 C ATOM 1083 O PRO A 76 -10.532 6.654 -13.863 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.614 4.632 -15.966 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.879 3.810 -16.145 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.870 2.843 -14.968 1.00 0.00 C ATOM 0 HA PRO A 76 -8.278 4.431 -14.280 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.751 5.651 -16.328 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.782 4.204 -16.525 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.768 4.441 -16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.876 3.278 -17.097 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.886 2.609 -14.650 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.398 1.900 -15.244 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.471 6.319 -12.963 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.373 7.508 -12.134 1.00 0.00 C ATOM 1096 C GLY A 77 -7.287 7.334 -11.063 1.00 0.00 C ATOM 1097 O GLY A 77 -6.149 6.975 -11.371 1.00 0.00 O ATOM 0 H GLY A 77 -7.633 5.740 -12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.142 8.373 -12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.333 7.705 -11.657 1.00 0.00 H new ATOM 1101 N THR A 78 -7.616 7.607 -9.795 1.00 0.00 N ATOM 1102 CA THR A 78 -6.644 7.522 -8.701 1.00 0.00 C ATOM 1103 C THR A 78 -7.282 7.139 -7.371 1.00 0.00 C ATOM 1104 O THR A 78 -8.298 7.724 -7.006 1.00 0.00 O ATOM 1105 CB THR A 78 -5.909 8.864 -8.589 1.00 0.00 C ATOM 1106 OG1 THR A 78 -5.054 8.789 -7.485 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.769 10.118 -8.394 1.00 0.00 C ATOM 0 H THR A 78 -8.551 7.889 -9.502 1.00 0.00 H new ATOM 0 HA THR A 78 -5.939 6.724 -8.934 1.00 0.00 H new ATOM 0 HB THR A 78 -5.419 8.990 -9.554 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.699 7.879 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.125 10.995 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.449 10.228 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.346 10.024 -7.474 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.666 6.205 -6.624 1.00 0.00 N ATOM 1116 CA TYR A 79 -7.249 5.751 -5.344 1.00 0.00 C ATOM 1117 C TYR A 79 -6.258 5.685 -4.178 1.00 0.00 C ATOM 1118 O TYR A 79 -5.432 4.788 -4.013 1.00 0.00 O ATOM 1119 CB TYR A 79 -8.072 4.438 -5.505 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.787 3.369 -6.551 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.793 3.751 -7.903 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.953 1.999 -6.232 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -7.989 2.812 -8.906 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -8.203 1.047 -7.246 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.260 1.476 -8.593 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.730 0.706 -9.606 1.00 0.00 O ATOM 0 H TYR A 79 -5.785 5.757 -6.875 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.947 6.538 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.031 3.935 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.106 4.746 -5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.643 4.788 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.888 1.678 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.932 3.117 -9.941 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.349 0.006 -6.996 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.512 0.202 -9.298 1.00 0.00 H new ATOM 1136 N THR A 80 -6.391 6.759 -3.387 1.00 0.00 N ATOM 1137 CA THR A 80 -5.653 7.175 -2.191 1.00 0.00 C ATOM 1138 C THR A 80 -5.632 6.059 -1.160 1.00 0.00 C ATOM 1139 O THR A 80 -6.623 5.369 -0.930 1.00 0.00 O ATOM 1140 CB THR A 80 -6.320 8.391 -1.518 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.982 9.209 -2.454 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.325 9.259 -0.750 1.00 0.00 C ATOM 0 H THR A 80 -7.115 7.444 -3.602 1.00 0.00 H new ATOM 0 HA THR A 80 -4.644 7.426 -2.518 1.00 0.00 H new ATOM 0 HB THR A 80 -7.040 7.969 -0.817 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.935 8.980 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.850 10.100 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.850 8.664 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.564 9.633 -1.435 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.510 5.943 -0.472 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.296 4.911 0.519 1.00 0.00 C ATOM 1152 C TYR A 81 -3.255 5.354 1.531 1.00 0.00 C ATOM 1153 O TYR A 81 -2.553 6.352 1.357 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.917 3.582 -0.170 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.458 3.534 -0.548 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.971 4.445 -1.497 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -1.578 2.687 0.148 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.593 4.574 -1.710 1.00 0.00 C ATOM 1159 CE2 TYR A 81 -0.198 2.806 -0.071 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.297 3.795 -0.950 1.00 0.00 C ATOM 1161 OH TYR A 81 1.627 4.021 -1.065 1.00 0.00 O ATOM 0 H TYR A 81 -3.715 6.571 -0.589 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.222 4.740 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.146 2.751 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.527 3.451 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.662 5.050 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.960 1.954 0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.218 5.265 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.487 2.141 0.433 1.00 0.00 H new ATOM 0 HH TYR A 81 2.023 4.102 -0.172 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.177 4.590 2.618 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.295 4.836 3.743 1.00 0.00 C ATOM 1173 C TYR A 82 -2.205 3.600 4.646 1.00 0.00 C ATOM 1174 O TYR A 82 -2.791 2.559 4.364 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.862 6.040 4.533 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.323 5.935 4.947 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.347 6.347 4.066 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.655 5.453 6.225 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.698 6.288 4.458 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.001 5.411 6.628 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.022 5.835 5.754 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.307 5.835 6.205 1.00 0.00 O ATOM 0 H TYR A 82 -3.749 3.754 2.738 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.288 5.053 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.259 6.177 5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.740 6.938 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.091 6.711 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.878 5.116 6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.478 6.587 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.254 5.051 7.614 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.332 5.486 7.121 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.451 3.726 5.732 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.279 2.693 6.749 1.00 0.00 C ATOM 1194 C CYS A 83 -2.000 3.239 7.999 1.00 0.00 C ATOM 1195 O CYS A 83 -1.506 4.181 8.621 1.00 0.00 O ATOM 1196 CB CYS A 83 0.209 2.449 6.985 1.00 0.00 C ATOM 1197 SG CYS A 83 0.627 1.418 8.408 1.00 0.00 S ATOM 0 H CYS A 83 -0.926 4.576 5.936 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.696 1.728 6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.627 1.986 6.091 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.701 3.414 7.104 1.00 0.00 H new ATOM 0 HG CYS A 83 1.185 2.151 9.326 1.00 0.00 H new ATOM 1202 N GLU A 84 -3.150 2.691 8.396 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.936 3.181 9.547 1.00 0.00 C ATOM 1204 C GLU A 84 -3.195 3.673 10.811 1.00 0.00 C ATOM 1205 O GLU A 84 -3.505 4.775 11.279 1.00 0.00 O ATOM 1206 CB GLU A 84 -5.012 2.154 9.944 1.00 0.00 C ATOM 1207 CG GLU A 84 -6.268 2.257 9.073 1.00 0.00 C ATOM 1208 CD GLU A 84 -7.513 2.552 9.907 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -7.622 3.707 10.385 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -8.307 1.600 10.090 1.00 0.00 O ATOM 0 H GLU A 84 -3.572 1.888 7.929 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.359 4.102 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.598 1.149 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.285 2.303 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.132 3.044 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.409 1.325 8.526 1.00 0.00 H new ATOM 1217 N PRO A 85 -2.246 2.922 11.394 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.515 3.380 12.576 1.00 0.00 C ATOM 1219 C PRO A 85 -0.477 4.477 12.316 1.00 0.00 C ATOM 1220 O PRO A 85 -0.069 5.143 13.267 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.867 2.114 13.147 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.662 1.229 11.914 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.894 1.545 11.071 1.00 0.00 C ATOM 0 HA PRO A 85 -2.203 3.865 13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.078 2.336 13.643 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.509 1.632 13.884 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.262 1.472 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.611 0.172 12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.681 1.434 10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.714 0.866 11.304 1.00 0.00 H new ATOM 1231 N HIS A 86 -0.115 4.757 11.058 1.00 0.00 N ATOM 1232 CA HIS A 86 0.910 5.740 10.704 1.00 0.00 C ATOM 1233 C HIS A 86 0.447 6.888 9.785 1.00 0.00 C ATOM 1234 O HIS A 86 1.276 7.613 9.226 1.00 0.00 O ATOM 1235 CB HIS A 86 2.126 4.946 10.193 1.00 0.00 C ATOM 1236 CG HIS A 86 2.700 4.041 11.261 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.042 2.709 11.129 1.00 0.00 N ATOM 1238 CD2 HIS A 86 2.886 4.387 12.574 1.00 0.00 C ATOM 1239 CE1 HIS A 86 3.431 2.273 12.341 1.00 0.00 C ATOM 1240 NE2 HIS A 86 3.335 3.257 13.249 1.00 0.00 N ATOM 0 H HIS A 86 -0.533 4.299 10.248 1.00 0.00 H new ATOM 0 HA HIS A 86 1.182 6.312 11.591 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.832 4.348 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 86 2.895 5.639 9.853 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.715 5.362 13.007 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.773 1.271 12.554 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.550 3.189 14.244 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.872 7.111 9.668 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.445 8.149 8.789 1.00 0.00 C ATOM 1250 C ARG A 87 -0.985 9.585 9.106 1.00 0.00 C ATOM 1251 O ARG A 87 -0.907 10.397 8.191 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.985 8.023 8.756 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.723 8.948 9.742 1.00 0.00 C ATOM 1254 CD ARG A 87 -5.205 8.591 9.884 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.366 7.446 10.792 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.200 6.429 10.704 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -7.074 6.242 9.746 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -6.097 5.467 11.574 1.00 0.00 N ATOM 0 H ARG A 87 -1.574 6.577 10.180 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.049 7.961 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.333 8.238 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.257 6.990 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.243 8.889 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.632 9.980 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.758 9.449 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.624 8.351 8.907 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.747 7.437 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.148 6.917 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.680 5.422 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.383 5.512 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.730 4.668 11.529 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.650 9.889 10.369 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.150 11.204 10.830 1.00 0.00 C ATOM 1274 C GLY A 88 1.381 11.322 10.898 1.00 0.00 C ATOM 1275 O GLY A 88 1.921 12.405 11.129 1.00 0.00 O ATOM 0 H GLY A 88 -0.720 9.209 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.531 11.977 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.561 11.407 11.819 1.00 0.00 H new ATOM 1279 N ALA A 89 2.048 10.178 10.713 1.00 0.00 N ATOM 1280 CA ALA A 89 3.498 10.010 10.679 1.00 0.00 C ATOM 1281 C ALA A 89 4.035 10.043 9.237 1.00 0.00 C ATOM 1282 O ALA A 89 5.246 10.047 9.035 1.00 0.00 O ATOM 1283 CB ALA A 89 3.855 8.698 11.390 1.00 0.00 C ATOM 0 H ALA A 89 1.558 9.294 10.575 1.00 0.00 H new ATOM 0 HA ALA A 89 3.974 10.841 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.936 8.558 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.510 8.739 12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.373 7.864 10.879 1.00 0.00 H new ATOM 1289 N GLY A 90 3.143 10.044 8.235 1.00 0.00 N ATOM 1290 CA GLY A 90 3.499 10.124 6.823 1.00 0.00 C ATOM 1291 C GLY A 90 3.317 8.840 6.018 1.00 0.00 C ATOM 1292 O GLY A 90 3.651 8.848 4.833 1.00 0.00 O ATOM 0 H GLY A 90 2.137 9.988 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.900 10.908 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.542 10.433 6.748 1.00 0.00 H new ATOM 1296 N MET A 91 2.794 7.749 6.601 1.00 0.00 N ATOM 1297 CA MET A 91 2.613 6.508 5.844 1.00 0.00 C ATOM 1298 C MET A 91 1.315 6.552 5.024 1.00 0.00 C ATOM 1299 O MET A 91 0.387 5.769 5.219 1.00 0.00 O ATOM 1300 CB MET A 91 2.709 5.290 6.760 1.00 0.00 C ATOM 1301 CG MET A 91 3.067 4.080 5.882 1.00 0.00 C ATOM 1302 SD MET A 91 3.777 2.675 6.756 1.00 0.00 S ATOM 1303 CE MET A 91 4.354 1.713 5.332 1.00 0.00 C ATOM 0 H MET A 91 2.495 7.704 7.575 1.00 0.00 H new ATOM 0 HA MET A 91 3.426 6.411 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.468 5.446 7.527 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.764 5.123 7.276 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.166 3.748 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.772 4.404 5.116 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.935 0.860 5.681 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.496 1.358 4.761 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.978 2.342 4.697 1.00 0.00 H new ATOM 1313 N VAL A 92 1.253 7.495 4.086 1.00 0.00 N ATOM 1314 CA VAL A 92 0.154 7.822 3.182 1.00 0.00 C ATOM 1315 C VAL A 92 0.686 8.021 1.760 1.00 0.00 C ATOM 1316 O VAL A 92 1.803 8.499 1.561 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.590 9.060 3.731 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.298 10.293 3.949 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.768 9.496 2.844 1.00 0.00 C ATOM 0 H VAL A 92 2.051 8.110 3.925 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.563 7.003 3.129 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.950 8.710 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.307 11.113 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.084 10.053 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.748 10.589 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.250 10.370 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.401 9.745 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.489 8.682 2.771 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.131 7.663 0.772 1.00 0.00 N ATOM 1330 CA GLY A 93 0.179 7.717 -0.647 1.00 0.00 C ATOM 1331 C GLY A 93 -1.048 7.996 -1.515 1.00 0.00 C ATOM 1332 O GLY A 93 -2.120 8.314 -0.992 1.00 0.00 O ATOM 0 H GLY A 93 -1.071 7.311 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.925 8.493 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.626 6.771 -0.952 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.907 7.849 -2.846 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.987 8.130 -3.803 1.00 0.00 C ATOM 1338 C LYS A 94 -2.468 6.999 -4.725 1.00 0.00 C ATOM 1339 O LYS A 94 -3.661 6.761 -4.677 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.617 9.400 -4.565 1.00 0.00 C ATOM 1341 CG LYS A 94 -2.553 9.754 -5.731 1.00 0.00 C ATOM 1342 CD LYS A 94 -3.592 10.820 -5.387 1.00 0.00 C ATOM 1343 CE LYS A 94 -4.633 10.376 -4.348 1.00 0.00 C ATOM 1344 NZ LYS A 94 -5.352 9.143 -4.748 1.00 0.00 N ATOM 0 H LYS A 94 -0.042 7.533 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.884 8.259 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.602 10.235 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.604 9.291 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.954 10.102 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.068 8.851 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.077 11.705 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.110 11.114 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.137 10.208 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.354 11.179 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.266 9.098 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.514 9.153 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.781 8.311 -4.496 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.647 6.437 -5.629 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.876 5.385 -6.644 1.00 0.00 C ATOM 1360 C VAL A 95 -2.650 5.936 -7.831 1.00 0.00 C ATOM 1361 O VAL A 95 -3.729 6.531 -7.680 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.609 4.107 -6.154 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.366 2.952 -7.139 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -2.145 3.609 -4.790 1.00 0.00 C ATOM 0 H VAL A 95 -0.677 6.750 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.865 5.079 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.658 4.393 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.884 2.059 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.745 3.227 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.297 2.749 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.705 2.714 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.082 3.373 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.316 4.384 -4.042 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.105 5.711 -9.030 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.722 6.119 -10.275 1.00 0.00 C ATOM 1376 C VAL A 96 -2.931 4.897 -11.137 1.00 0.00 C ATOM 1377 O VAL A 96 -1.998 4.101 -11.308 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.883 7.157 -11.033 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.539 7.518 -12.377 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.720 8.442 -10.210 1.00 0.00 C ATOM 0 H VAL A 96 -1.212 5.234 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.675 6.593 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.905 6.710 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.925 8.255 -12.895 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.626 6.622 -12.992 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.531 7.933 -12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.122 9.160 -10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.701 8.870 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.221 8.211 -9.269 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.162 4.723 -11.636 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.429 3.587 -12.523 1.00 0.00 C ATOM 1392 C VAL A 97 -5.031 4.024 -13.869 1.00 0.00 C ATOM 1393 O VAL A 97 -5.848 4.947 -13.924 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.280 2.488 -11.845 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -5.112 2.411 -10.322 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.760 2.514 -12.214 1.00 0.00 C ATOM 0 H VAL A 97 -4.960 5.330 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.458 3.141 -12.738 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.861 1.574 -12.266 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.743 1.615 -9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.070 2.202 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.404 3.361 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.279 1.709 -11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.191 3.472 -11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.869 2.379 -13.290 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.593 3.280 -14.899 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.807 3.208 -16.362 1.00 0.00 C ATOM 1408 C GLU A 98 -3.521 3.439 -17.183 1.00 0.00 C ATOM 1409 O GLU A 98 -3.396 2.736 -18.219 1.00 0.00 O ATOM 1410 CB GLU A 98 -5.928 4.138 -16.869 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.557 5.617 -17.068 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.754 6.374 -17.640 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -7.596 6.827 -16.832 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -6.844 6.441 -18.887 1.00 0.00 O ATOM 1415 OXT GLU A 98 -2.667 4.253 -16.769 1.00 0.00 O ATOM 0 H GLU A 98 -3.925 2.546 -14.662 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.129 2.180 -16.526 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.292 3.747 -17.819 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.758 4.087 -16.165 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.256 6.058 -16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.705 5.701 -17.743 1.00 0.00 H new TER 1422 GLU A 98