USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.401 K(o=1.7,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 177:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 177:sc= 0.611 (180deg=0) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.562 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=0.0034,f=0.5) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.0034 USER MOD Single : A 8 SER OG : rot -30:sc= 0.442 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.13) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 136:sc= -0.733! USER MOD Single : A 46 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-8.5!) USER MOD Single : A 50 SER OG : rot 81:sc= 0.974 USER MOD Single : A 54 TYR OH : rot 20:sc= 0.334 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.776 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.06) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00456 USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 1.32 (180deg=1.23) USER MOD Single : A 85 GLN : amide:sc= -1.63! C(o=-1.6!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.224 8.544 -8.116 1.00 0.00 N ATOM 2 CA GLU A 2 12.492 9.793 -7.941 1.00 0.00 C ATOM 3 C GLU A 2 12.055 9.900 -6.505 1.00 0.00 C ATOM 4 O GLU A 2 11.869 8.885 -5.838 1.00 0.00 O ATOM 5 CB GLU A 2 11.266 9.835 -8.854 1.00 0.00 C ATOM 6 CG GLU A 2 10.217 8.781 -8.535 1.00 0.00 C ATOM 7 CD GLU A 2 9.036 8.858 -9.456 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.145 9.689 -9.228 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.976 8.101 -10.431 1.00 0.00 O ATOM 0 HA GLU A 2 13.142 10.628 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.808 10.821 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.591 9.708 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.667 7.791 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.881 8.905 -7.506 1.00 0.00 H new ATOM 16 N LEU A 3 11.889 11.092 -6.021 1.00 0.00 N ATOM 17 CA LEU A 3 11.438 11.285 -4.667 1.00 0.00 C ATOM 18 C LEU A 3 10.083 11.955 -4.679 1.00 0.00 C ATOM 19 O LEU A 3 9.676 12.528 -5.694 1.00 0.00 O ATOM 20 CB LEU A 3 12.445 12.116 -3.860 1.00 0.00 C ATOM 21 CG LEU A 3 13.852 11.521 -3.697 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.751 12.489 -2.944 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.797 10.181 -2.971 1.00 0.00 C ATOM 0 H LEU A 3 12.058 11.953 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 3 11.355 10.312 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.541 13.092 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.029 12.285 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 3 14.266 11.354 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.745 12.054 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.823 13.425 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.331 12.683 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.806 9.781 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.360 10.321 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.186 9.482 -3.543 1.00 0.00 H new ATOM 35 N LYS A 4 9.393 11.882 -3.586 1.00 0.00 N ATOM 36 CA LYS A 4 8.081 12.466 -3.450 1.00 0.00 C ATOM 37 C LYS A 4 8.024 13.189 -2.133 1.00 0.00 C ATOM 38 O LYS A 4 8.996 13.174 -1.380 1.00 0.00 O ATOM 39 CB LYS A 4 6.979 11.389 -3.446 1.00 0.00 C ATOM 40 CG LYS A 4 7.048 10.412 -2.266 1.00 0.00 C ATOM 41 CD LYS A 4 8.094 9.335 -2.479 1.00 0.00 C ATOM 42 CE LYS A 4 8.247 8.446 -1.266 1.00 0.00 C ATOM 43 NZ LYS A 4 9.078 7.275 -1.583 1.00 0.00 N ATOM 0 H LYS A 4 9.723 11.409 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 4 7.913 13.136 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.007 11.882 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.040 10.822 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.275 10.962 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.073 9.947 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.819 8.728 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.052 9.801 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.700 9.010 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.266 8.120 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.214 6.703 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.606 6.701 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.003 7.592 -1.938 1.00 0.00 H new ATOM 57 N HIS A 5 6.906 13.797 -1.836 1.00 0.00 N ATOM 58 CA HIS A 5 6.750 14.412 -0.533 1.00 0.00 C ATOM 59 C HIS A 5 5.947 13.515 0.425 1.00 0.00 C ATOM 60 O HIS A 5 6.174 13.540 1.630 1.00 0.00 O ATOM 61 CB HIS A 5 6.172 15.853 -0.610 1.00 0.00 C ATOM 62 CG HIS A 5 4.794 15.979 -1.198 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.546 16.152 -2.534 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.582 15.973 -0.593 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.229 16.241 -2.707 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.591 16.139 -1.554 1.00 0.00 N ATOM 0 H HIS A 5 6.103 13.882 -2.459 1.00 0.00 H new ATOM 0 HA HIS A 5 7.752 14.515 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.156 16.271 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.854 16.466 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.412 15.858 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.746 16.378 -3.663 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.583 16.175 -1.401 1.00 0.00 H new ATOM 74 N SER A 6 5.038 12.695 -0.103 1.00 0.00 N ATOM 75 CA SER A 6 4.218 11.844 0.757 1.00 0.00 C ATOM 76 C SER A 6 3.593 10.711 -0.040 1.00 0.00 C ATOM 77 O SER A 6 3.859 10.567 -1.237 1.00 0.00 O ATOM 78 CB SER A 6 3.101 12.685 1.382 1.00 0.00 C ATOM 79 OG SER A 6 2.230 13.207 0.382 1.00 0.00 O ATOM 0 H SER A 6 4.853 12.603 -1.102 1.00 0.00 H new ATOM 0 HA SER A 6 4.856 11.419 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.531 12.075 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.536 13.505 1.954 1.00 0.00 H new ATOM 0 HG SER A 6 1.525 13.739 0.807 1.00 0.00 H new ATOM 85 N ILE A 7 2.749 9.918 0.625 1.00 0.00 N ATOM 86 CA ILE A 7 1.978 8.875 -0.039 1.00 0.00 C ATOM 87 C ILE A 7 0.928 9.526 -0.954 1.00 0.00 C ATOM 88 O ILE A 7 0.533 8.973 -1.960 1.00 0.00 O ATOM 89 CB ILE A 7 1.248 7.948 0.984 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.483 6.835 0.238 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.308 8.758 1.881 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.290 5.902 1.127 1.00 0.00 C ATOM 0 H ILE A 7 2.585 9.983 1.630 1.00 0.00 H new ATOM 0 HA ILE A 7 2.673 8.265 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 7 1.995 7.482 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.207 7.297 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.195 6.252 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.189 8.090 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.883 9.503 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.440 9.258 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.795 5.153 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.394 5.407 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.030 6.468 1.693 1.00 0.00 H new ATOM 104 N SER A 8 0.537 10.739 -0.615 1.00 0.00 N ATOM 105 CA SER A 8 -0.463 11.447 -1.354 1.00 0.00 C ATOM 106 C SER A 8 0.131 12.073 -2.603 1.00 0.00 C ATOM 107 O SER A 8 -0.568 12.693 -3.406 1.00 0.00 O ATOM 108 CB SER A 8 -1.120 12.469 -0.449 1.00 0.00 C ATOM 109 OG SER A 8 -1.620 11.821 0.702 1.00 0.00 O ATOM 0 H SER A 8 0.910 11.253 0.183 1.00 0.00 H new ATOM 0 HA SER A 8 -1.232 10.754 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.400 13.236 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.930 12.972 -0.977 1.00 0.00 H new ATOM 0 HG SER A 8 -1.875 10.902 0.475 1.00 0.00 H new ATOM 115 N ASP A 9 1.429 11.911 -2.754 1.00 0.00 N ATOM 116 CA ASP A 9 2.098 12.339 -3.951 1.00 0.00 C ATOM 117 C ASP A 9 2.089 11.167 -4.957 1.00 0.00 C ATOM 118 O ASP A 9 2.394 11.320 -6.143 1.00 0.00 O ATOM 119 CB ASP A 9 3.512 12.777 -3.619 1.00 0.00 C ATOM 120 CG ASP A 9 4.159 13.619 -4.698 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.453 14.110 -5.616 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.370 13.863 -4.604 1.00 0.00 O ATOM 0 H ASP A 9 2.038 11.484 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 9 1.586 13.192 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.498 13.344 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.125 11.893 -3.444 1.00 0.00 H new ATOM 127 N TYR A 10 1.712 9.994 -4.455 1.00 0.00 N ATOM 128 CA TYR A 10 1.516 8.806 -5.271 1.00 0.00 C ATOM 129 C TYR A 10 0.064 8.747 -5.666 1.00 0.00 C ATOM 130 O TYR A 10 -0.805 9.055 -4.857 1.00 0.00 O ATOM 131 CB TYR A 10 1.829 7.505 -4.496 1.00 0.00 C ATOM 132 CG TYR A 10 3.286 7.156 -4.275 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.075 7.856 -3.382 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.861 6.077 -4.946 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.386 7.496 -3.165 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.179 5.717 -4.734 1.00 0.00 C ATOM 137 CZ TYR A 10 5.936 6.432 -3.838 1.00 0.00 C ATOM 138 OH TYR A 10 7.261 6.077 -3.601 1.00 0.00 O ATOM 0 H TYR A 10 1.533 9.843 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 10 2.187 8.874 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.347 7.570 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.361 6.676 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.658 8.696 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.264 5.511 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.986 8.054 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.609 4.882 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 10 7.497 5.304 -4.155 1.00 0.00 H new ATOM 148 N THR A 11 -0.211 8.388 -6.877 1.00 0.00 N ATOM 149 CA THR A 11 -1.577 8.194 -7.312 1.00 0.00 C ATOM 150 C THR A 11 -2.048 6.847 -6.804 1.00 0.00 C ATOM 151 O THR A 11 -1.205 5.997 -6.435 1.00 0.00 O ATOM 152 CB THR A 11 -1.652 8.221 -8.855 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.618 7.391 -9.398 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.504 9.622 -9.396 1.00 0.00 C ATOM 0 H THR A 11 0.491 8.219 -7.597 1.00 0.00 H new ATOM 0 HA THR A 11 -2.209 8.991 -6.920 1.00 0.00 H new ATOM 0 HB THR A 11 -2.632 7.847 -9.150 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.666 7.406 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.562 9.600 -10.484 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.303 10.250 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.540 10.029 -9.092 1.00 0.00 H new ATOM 162 N GLU A 12 -3.363 6.637 -6.761 1.00 0.00 N ATOM 163 CA GLU A 12 -3.896 5.360 -6.340 1.00 0.00 C ATOM 164 C GLU A 12 -3.343 4.279 -7.230 1.00 0.00 C ATOM 165 O GLU A 12 -2.901 3.272 -6.754 1.00 0.00 O ATOM 166 CB GLU A 12 -5.429 5.337 -6.367 1.00 0.00 C ATOM 167 CG GLU A 12 -6.024 3.968 -6.046 1.00 0.00 C ATOM 168 CD GLU A 12 -7.520 3.940 -6.119 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.086 4.208 -7.197 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.171 3.654 -5.107 1.00 0.00 O ATOM 0 H GLU A 12 -4.066 7.332 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.593 5.188 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.808 6.066 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.772 5.651 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.619 3.232 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.710 3.669 -5.046 1.00 0.00 H new ATOM 177 N ALA A 13 -3.304 4.556 -8.517 1.00 0.00 N ATOM 178 CA ALA A 13 -2.801 3.615 -9.497 1.00 0.00 C ATOM 179 C ALA A 13 -1.332 3.233 -9.230 1.00 0.00 C ATOM 180 O ALA A 13 -1.006 2.051 -9.206 1.00 0.00 O ATOM 181 CB ALA A 13 -2.984 4.163 -10.895 1.00 0.00 C ATOM 0 H ALA A 13 -3.620 5.441 -8.914 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.383 2.698 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.601 3.445 -11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.044 4.338 -11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.439 5.102 -10.992 1.00 0.00 H new ATOM 187 N GLU A 14 -0.468 4.221 -8.986 1.00 0.00 N ATOM 188 CA GLU A 14 0.957 3.950 -8.701 1.00 0.00 C ATOM 189 C GLU A 14 1.158 3.241 -7.389 1.00 0.00 C ATOM 190 O GLU A 14 2.051 2.404 -7.260 1.00 0.00 O ATOM 191 CB GLU A 14 1.801 5.220 -8.757 1.00 0.00 C ATOM 192 CG GLU A 14 2.089 5.706 -10.158 1.00 0.00 C ATOM 193 CD GLU A 14 2.874 4.694 -10.946 1.00 0.00 C ATOM 194 OE1 GLU A 14 4.042 4.436 -10.600 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.353 4.141 -11.920 1.00 0.00 O ATOM 0 H GLU A 14 -0.720 5.209 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 14 1.298 3.281 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.288 6.009 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.746 5.039 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.150 5.918 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.645 6.642 -10.112 1.00 0.00 H new ATOM 202 N PHE A 15 0.346 3.554 -6.434 1.00 0.00 N ATOM 203 CA PHE A 15 0.414 2.902 -5.154 1.00 0.00 C ATOM 204 C PHE A 15 -0.182 1.529 -5.263 1.00 0.00 C ATOM 205 O PHE A 15 0.210 0.636 -4.597 1.00 0.00 O ATOM 206 CB PHE A 15 -0.256 3.724 -4.082 1.00 0.00 C ATOM 207 CG PHE A 15 -0.014 3.210 -2.704 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.074 3.655 -1.980 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.871 2.293 -2.129 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.297 3.196 -0.709 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.651 1.835 -0.865 1.00 0.00 C ATOM 212 CZ PHE A 15 0.429 2.286 -0.155 1.00 0.00 C ATOM 0 H PHE A 15 -0.382 4.264 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 15 1.458 2.804 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.101 4.752 -4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.329 3.747 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.754 4.370 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.724 1.935 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.149 3.547 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.327 1.118 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.600 1.924 0.848 1.00 0.00 H new ATOM 222 N LEU A 16 -1.131 1.381 -6.091 1.00 0.00 N ATOM 223 CA LEU A 16 -1.728 0.099 -6.324 1.00 0.00 C ATOM 224 C LEU A 16 -0.723 -0.830 -7.013 1.00 0.00 C ATOM 225 O LEU A 16 -0.796 -2.047 -6.917 1.00 0.00 O ATOM 226 CB LEU A 16 -3.044 0.307 -7.074 1.00 0.00 C ATOM 227 CG LEU A 16 -3.907 -0.877 -7.305 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.341 -0.446 -7.430 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.531 -1.547 -8.552 1.00 0.00 C ATOM 0 H LEU A 16 -1.533 2.141 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.981 -0.409 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.629 1.045 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.810 0.744 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.782 -1.556 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.970 -1.320 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.652 0.053 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.442 0.242 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.173 -2.414 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.647 -0.855 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.492 -1.871 -8.492 1.00 0.00 H new ATOM 241 N GLU A 17 0.212 -0.240 -7.657 1.00 0.00 N ATOM 242 CA GLU A 17 1.321 -0.963 -8.209 1.00 0.00 C ATOM 243 C GLU A 17 2.299 -1.382 -7.075 1.00 0.00 C ATOM 244 O GLU A 17 3.072 -2.316 -7.252 1.00 0.00 O ATOM 245 CB GLU A 17 2.046 -0.143 -9.271 1.00 0.00 C ATOM 246 CG GLU A 17 1.197 0.232 -10.478 1.00 0.00 C ATOM 247 CD GLU A 17 0.751 -0.955 -11.302 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.539 -1.425 -12.148 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.406 -1.414 -11.161 1.00 0.00 O ATOM 0 H GLU A 17 0.241 0.766 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 17 0.936 -1.860 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.422 0.771 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.913 -0.706 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.317 0.777 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.765 0.911 -11.114 1.00 0.00 H new ATOM 256 N PHE A 18 2.231 -0.680 -5.897 1.00 0.00 N ATOM 257 CA PHE A 18 3.090 -1.005 -4.699 1.00 0.00 C ATOM 258 C PHE A 18 2.919 -2.446 -4.372 1.00 0.00 C ATOM 259 O PHE A 18 3.862 -3.215 -4.345 1.00 0.00 O ATOM 260 CB PHE A 18 2.740 -0.107 -3.390 1.00 0.00 C ATOM 261 CG PHE A 18 1.951 -0.765 -2.155 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.550 -0.937 -2.150 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.630 -1.175 -1.010 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.116 -1.504 -1.039 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.957 -1.733 0.080 1.00 0.00 C ATOM 266 CZ PHE A 18 0.596 -1.894 0.057 1.00 0.00 C ATOM 0 H PHE A 18 1.599 0.106 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 18 4.122 -0.774 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.681 0.283 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.156 0.748 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.024 -0.630 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.703 -1.059 -0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.189 -1.628 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.516 -2.041 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.088 -2.329 0.905 1.00 0.00 H new ATOM 276 N VAL A 19 1.694 -2.805 -4.244 1.00 0.00 N ATOM 277 CA VAL A 19 1.315 -4.108 -3.787 1.00 0.00 C ATOM 278 C VAL A 19 1.575 -5.174 -4.840 1.00 0.00 C ATOM 279 O VAL A 19 1.983 -6.288 -4.516 1.00 0.00 O ATOM 280 CB VAL A 19 -0.156 -4.103 -3.296 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.109 -3.693 -4.378 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.550 -5.405 -2.635 1.00 0.00 C ATOM 0 H VAL A 19 0.905 -2.195 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 19 1.944 -4.368 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.223 -3.341 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.127 -3.704 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.861 -2.688 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.032 -4.389 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.589 -5.348 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.437 -6.223 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.091 -5.583 -1.772 1.00 0.00 H new ATOM 292 N LYS A 20 1.387 -4.817 -6.086 1.00 0.00 N ATOM 293 CA LYS A 20 1.655 -5.734 -7.168 1.00 0.00 C ATOM 294 C LYS A 20 3.158 -6.036 -7.231 1.00 0.00 C ATOM 295 O LYS A 20 3.582 -7.187 -7.403 1.00 0.00 O ATOM 296 CB LYS A 20 1.218 -5.148 -8.475 1.00 0.00 C ATOM 297 CG LYS A 20 -0.256 -4.921 -8.567 1.00 0.00 C ATOM 298 CD LYS A 20 -0.580 -4.349 -9.891 1.00 0.00 C ATOM 299 CE LYS A 20 -2.039 -4.086 -10.093 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.266 -3.407 -11.385 1.00 0.00 N ATOM 0 H LYS A 20 1.050 -3.899 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 20 1.099 -6.653 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.733 -4.200 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.526 -5.813 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.790 -5.860 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.582 -4.245 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.031 -3.416 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.232 -5.031 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.591 -5.025 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.420 -3.469 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.247 -3.065 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.614 -2.601 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.096 -4.076 -12.163 1.00 0.00 H new ATOM 314 N LYS A 21 3.957 -4.975 -7.056 1.00 0.00 N ATOM 315 CA LYS A 21 5.408 -5.068 -7.039 1.00 0.00 C ATOM 316 C LYS A 21 5.857 -5.923 -5.870 1.00 0.00 C ATOM 317 O LYS A 21 6.797 -6.696 -5.993 1.00 0.00 O ATOM 318 CB LYS A 21 6.059 -3.668 -6.943 1.00 0.00 C ATOM 319 CG LYS A 21 7.585 -3.709 -6.925 1.00 0.00 C ATOM 320 CD LYS A 21 8.223 -2.348 -6.668 1.00 0.00 C ATOM 321 CE LYS A 21 7.923 -1.345 -7.764 1.00 0.00 C ATOM 322 NZ LYS A 21 8.677 -0.097 -7.561 1.00 0.00 N ATOM 0 H LYS A 21 3.605 -4.027 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 21 5.728 -5.529 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.729 -3.063 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.706 -3.172 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.914 -4.407 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.942 -4.095 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.865 -1.957 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.302 -2.469 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.178 -1.774 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.855 -1.129 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.453 0.572 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.415 0.322 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.697 -0.302 -7.568 1.00 0.00 H new ATOM 336 N ILE A 22 5.176 -5.785 -4.751 1.00 0.00 N ATOM 337 CA ILE A 22 5.480 -6.563 -3.567 1.00 0.00 C ATOM 338 C ILE A 22 5.151 -8.032 -3.793 1.00 0.00 C ATOM 339 O ILE A 22 5.950 -8.905 -3.480 1.00 0.00 O ATOM 340 CB ILE A 22 4.744 -6.017 -2.325 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.208 -4.587 -2.064 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.010 -6.897 -1.113 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.557 -3.911 -0.903 1.00 0.00 C ATOM 0 H ILE A 22 4.400 -5.134 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 22 6.550 -6.475 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 22 3.670 -6.023 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.286 -4.595 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.025 -3.993 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.482 -6.495 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.659 -7.909 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.080 -6.919 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.954 -2.901 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.480 -3.863 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.761 -4.475 0.007 1.00 0.00 H new ATOM 355 N CYS A 23 4.016 -8.292 -4.410 1.00 0.00 N ATOM 356 CA CYS A 23 3.603 -9.653 -4.713 1.00 0.00 C ATOM 357 C CYS A 23 4.680 -10.369 -5.553 1.00 0.00 C ATOM 358 O CYS A 23 4.975 -11.541 -5.336 1.00 0.00 O ATOM 359 CB CYS A 23 2.248 -9.651 -5.436 1.00 0.00 C ATOM 360 SG CYS A 23 1.552 -11.291 -5.749 1.00 0.00 S ATOM 0 H CYS A 23 3.357 -7.575 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 23 3.487 -10.201 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.536 -9.077 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.361 -9.132 -6.388 1.00 0.00 H new ATOM 0 HG CYS A 23 0.411 -11.169 -6.360 1.00 0.00 H new ATOM 366 N ARG A 24 5.327 -9.630 -6.444 1.00 0.00 N ATOM 367 CA ARG A 24 6.355 -10.198 -7.303 1.00 0.00 C ATOM 368 C ARG A 24 7.772 -9.945 -6.742 1.00 0.00 C ATOM 369 O ARG A 24 8.763 -10.260 -7.395 1.00 0.00 O ATOM 370 CB ARG A 24 6.264 -9.614 -8.714 1.00 0.00 C ATOM 371 CG ARG A 24 6.749 -8.187 -8.821 1.00 0.00 C ATOM 372 CD ARG A 24 6.669 -7.698 -10.228 1.00 0.00 C ATOM 373 NE ARG A 24 7.324 -6.397 -10.421 1.00 0.00 N ATOM 374 CZ ARG A 24 6.945 -5.496 -11.355 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.785 -5.651 -12.006 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.698 -4.425 -11.601 1.00 0.00 N ATOM 0 H ARG A 24 5.157 -8.635 -6.590 1.00 0.00 H new ATOM 0 HA ARG A 24 6.181 -11.273 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.847 -10.237 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.228 -9.661 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.149 -7.546 -8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.778 -8.122 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.130 -8.432 -10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.622 -7.619 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 24 8.110 -6.160 -9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.186 -6.450 -11.797 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.501 -4.970 -12.710 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.565 -4.282 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.407 -3.748 -12.307 1.00 0.00 H new ATOM 390 N ALA A 25 7.863 -9.396 -5.535 1.00 0.00 N ATOM 391 CA ALA A 25 9.150 -8.932 -4.972 1.00 0.00 C ATOM 392 C ALA A 25 10.072 -10.040 -4.466 1.00 0.00 C ATOM 393 O ALA A 25 11.073 -9.769 -3.808 1.00 0.00 O ATOM 394 CB ALA A 25 8.933 -7.882 -3.916 1.00 0.00 C ATOM 0 H ALA A 25 7.064 -9.256 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 25 9.681 -8.491 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.896 -7.560 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.416 -7.028 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.329 -8.297 -3.109 1.00 0.00 H new ATOM 400 N GLU A 26 9.781 -11.259 -4.828 1.00 0.00 N ATOM 401 CA GLU A 26 10.645 -12.397 -4.541 1.00 0.00 C ATOM 402 C GLU A 26 11.804 -12.414 -5.576 1.00 0.00 C ATOM 403 O GLU A 26 12.176 -13.455 -6.113 1.00 0.00 O ATOM 404 CB GLU A 26 9.808 -13.694 -4.613 1.00 0.00 C ATOM 405 CG GLU A 26 9.014 -13.859 -5.913 1.00 0.00 C ATOM 406 CD GLU A 26 8.218 -15.140 -5.966 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.048 -15.140 -5.551 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.744 -16.160 -6.461 1.00 0.00 O ATOM 0 H GLU A 26 8.931 -11.505 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 26 11.072 -12.321 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.474 -14.549 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.115 -13.712 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.336 -13.013 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.703 -13.832 -6.757 1.00 0.00 H new ATOM 415 N GLY A 27 12.386 -11.248 -5.799 1.00 0.00 N ATOM 416 CA GLY A 27 13.386 -11.065 -6.810 1.00 0.00 C ATOM 417 C GLY A 27 14.760 -11.410 -6.335 1.00 0.00 C ATOM 418 O GLY A 27 15.252 -12.509 -6.584 1.00 0.00 O ATOM 0 H GLY A 27 12.169 -10.401 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.140 -11.682 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.372 -10.028 -7.145 1.00 0.00 H new ATOM 422 N ALA A 28 15.384 -10.486 -5.646 1.00 0.00 N ATOM 423 CA ALA A 28 16.734 -10.697 -5.162 1.00 0.00 C ATOM 424 C ALA A 28 16.727 -11.616 -3.954 1.00 0.00 C ATOM 425 O ALA A 28 17.475 -12.594 -3.884 1.00 0.00 O ATOM 426 CB ALA A 28 17.381 -9.368 -4.818 1.00 0.00 C ATOM 0 H ALA A 28 14.982 -9.580 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 28 17.317 -11.173 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.395 -9.540 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.415 -8.739 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.798 -8.869 -4.043 1.00 0.00 H new ATOM 432 N THR A 29 15.884 -11.296 -3.029 1.00 0.00 N ATOM 433 CA THR A 29 15.717 -12.015 -1.801 1.00 0.00 C ATOM 434 C THR A 29 14.296 -11.829 -1.372 1.00 0.00 C ATOM 435 O THR A 29 13.540 -11.125 -2.039 1.00 0.00 O ATOM 436 CB THR A 29 16.660 -11.461 -0.701 1.00 0.00 C ATOM 437 OG1 THR A 29 16.629 -10.027 -0.706 1.00 0.00 O ATOM 438 CG2 THR A 29 18.090 -11.969 -0.847 1.00 0.00 C ATOM 0 H THR A 29 15.263 -10.491 -3.108 1.00 0.00 H new ATOM 0 HA THR A 29 15.958 -13.068 -1.950 1.00 0.00 H new ATOM 0 HB THR A 29 16.294 -11.828 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.338 -9.682 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.708 -11.551 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 29 18.098 -13.057 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.488 -11.663 -1.815 1.00 0.00 H new ATOM 446 N GLU A 30 13.919 -12.433 -0.289 1.00 0.00 N ATOM 447 CA GLU A 30 12.592 -12.246 0.223 1.00 0.00 C ATOM 448 C GLU A 30 12.564 -10.982 1.090 1.00 0.00 C ATOM 449 O GLU A 30 11.521 -10.413 1.372 1.00 0.00 O ATOM 450 CB GLU A 30 12.154 -13.482 0.982 1.00 0.00 C ATOM 451 CG GLU A 30 10.732 -13.437 1.486 1.00 0.00 C ATOM 452 CD GLU A 30 10.360 -14.679 2.210 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.942 -15.649 1.561 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.491 -14.714 3.453 1.00 0.00 O ATOM 0 H GLU A 30 14.508 -13.060 0.259 1.00 0.00 H new ATOM 0 HA GLU A 30 11.882 -12.106 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.269 -14.351 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.822 -13.627 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.609 -12.580 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.054 -13.290 0.646 1.00 0.00 H new ATOM 461 N GLU A 31 13.729 -10.520 1.483 1.00 0.00 N ATOM 462 CA GLU A 31 13.804 -9.269 2.192 1.00 0.00 C ATOM 463 C GLU A 31 13.729 -8.105 1.207 1.00 0.00 C ATOM 464 O GLU A 31 13.436 -6.972 1.579 1.00 0.00 O ATOM 465 CB GLU A 31 15.003 -9.195 3.116 1.00 0.00 C ATOM 466 CG GLU A 31 16.338 -9.457 2.474 1.00 0.00 C ATOM 467 CD GLU A 31 17.438 -9.396 3.483 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.746 -10.436 4.109 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.003 -8.307 3.702 1.00 0.00 O ATOM 0 H GLU A 31 14.623 -10.985 1.326 1.00 0.00 H new ATOM 0 HA GLU A 31 12.940 -9.197 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.027 -8.205 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.861 -9.914 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.330 -10.437 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.519 -8.723 1.689 1.00 0.00 H new ATOM 476 N ASP A 32 13.974 -8.419 -0.062 1.00 0.00 N ATOM 477 CA ASP A 32 13.798 -7.471 -1.177 1.00 0.00 C ATOM 478 C ASP A 32 12.311 -7.101 -1.271 1.00 0.00 C ATOM 479 O ASP A 32 11.941 -5.993 -1.669 1.00 0.00 O ATOM 480 CB ASP A 32 14.317 -8.109 -2.489 1.00 0.00 C ATOM 481 CG ASP A 32 14.184 -7.244 -3.723 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.592 -6.069 -3.699 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.701 -7.747 -4.760 1.00 0.00 O ATOM 0 H ASP A 32 14.302 -9.339 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 32 14.373 -6.561 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.368 -8.367 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.778 -9.041 -2.659 1.00 0.00 H new ATOM 488 N ASP A 33 11.487 -8.045 -0.841 1.00 0.00 N ATOM 489 CA ASP A 33 10.034 -7.883 -0.697 1.00 0.00 C ATOM 490 C ASP A 33 9.748 -7.031 0.525 1.00 0.00 C ATOM 491 O ASP A 33 9.141 -5.956 0.439 1.00 0.00 O ATOM 492 CB ASP A 33 9.392 -9.284 -0.525 1.00 0.00 C ATOM 493 CG ASP A 33 7.901 -9.307 -0.170 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.531 -8.953 0.975 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.097 -9.801 -0.996 1.00 0.00 O ATOM 0 H ASP A 33 11.812 -8.974 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 33 9.618 -7.396 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.532 -9.841 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.938 -9.818 0.253 1.00 0.00 H new ATOM 500 N ASN A 34 10.254 -7.495 1.648 1.00 0.00 N ATOM 501 CA ASN A 34 10.037 -6.872 2.948 1.00 0.00 C ATOM 502 C ASN A 34 10.443 -5.407 3.018 1.00 0.00 C ATOM 503 O ASN A 34 9.719 -4.601 3.607 1.00 0.00 O ATOM 504 CB ASN A 34 10.697 -7.692 4.058 1.00 0.00 C ATOM 505 CG ASN A 34 10.749 -6.989 5.404 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.799 -7.039 6.176 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.874 -6.389 5.713 1.00 0.00 N ATOM 0 H ASN A 34 10.839 -8.330 1.690 1.00 0.00 H new ATOM 0 HA ASN A 34 8.958 -6.871 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.155 -8.631 4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.713 -7.945 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.980 -5.942 6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.642 -6.369 5.042 1.00 0.00 H new ATOM 514 N LYS A 35 11.566 -5.043 2.403 1.00 0.00 N ATOM 515 CA LYS A 35 12.020 -3.654 2.454 1.00 0.00 C ATOM 516 C LYS A 35 11.014 -2.725 1.779 1.00 0.00 C ATOM 517 O LYS A 35 10.808 -1.592 2.238 1.00 0.00 O ATOM 518 CB LYS A 35 13.439 -3.470 1.874 1.00 0.00 C ATOM 519 CG LYS A 35 13.581 -3.753 0.384 1.00 0.00 C ATOM 520 CD LYS A 35 15.026 -3.599 -0.056 1.00 0.00 C ATOM 521 CE LYS A 35 15.197 -3.851 -1.545 1.00 0.00 C ATOM 522 NZ LYS A 35 16.617 -3.800 -1.962 1.00 0.00 N ATOM 0 H LYS A 35 12.168 -5.674 1.874 1.00 0.00 H new ATOM 0 HA LYS A 35 12.082 -3.380 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.760 -2.446 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.122 -4.124 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.235 -4.763 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.948 -3.070 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.373 -2.594 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.652 -4.294 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.781 -4.827 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.629 -3.108 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.685 -3.977 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.009 -2.861 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.156 -4.526 -1.448 1.00 0.00 H new ATOM 536 N LEU A 36 10.356 -3.227 0.729 1.00 0.00 N ATOM 537 CA LEU A 36 9.324 -2.467 0.046 1.00 0.00 C ATOM 538 C LEU A 36 8.172 -2.259 0.981 1.00 0.00 C ATOM 539 O LEU A 36 7.756 -1.131 1.228 1.00 0.00 O ATOM 540 CB LEU A 36 8.818 -3.199 -1.196 1.00 0.00 C ATOM 541 CG LEU A 36 9.792 -3.344 -2.347 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.171 -4.181 -3.448 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.172 -1.976 -2.880 1.00 0.00 C ATOM 0 H LEU A 36 10.525 -4.155 0.340 1.00 0.00 H new ATOM 0 HA LEU A 36 9.754 -1.515 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.496 -4.196 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.935 -2.676 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 36 10.692 -3.844 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.878 -4.281 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.925 -5.169 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.263 -3.696 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.873 -2.090 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.278 -1.461 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.639 -1.393 -2.086 1.00 0.00 H new ATOM 555 N VAL A 37 7.707 -3.356 1.547 1.00 0.00 N ATOM 556 CA VAL A 37 6.575 -3.352 2.452 1.00 0.00 C ATOM 557 C VAL A 37 6.801 -2.362 3.582 1.00 0.00 C ATOM 558 O VAL A 37 5.936 -1.543 3.887 1.00 0.00 O ATOM 559 CB VAL A 37 6.331 -4.750 3.069 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.074 -4.730 3.896 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.229 -5.811 2.003 1.00 0.00 C ATOM 0 H VAL A 37 8.107 -4.281 1.390 1.00 0.00 H new ATOM 0 HA VAL A 37 5.702 -3.064 1.866 1.00 0.00 H new ATOM 0 HB VAL A 37 7.182 -4.993 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.907 -5.717 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.176 -3.996 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.227 -4.462 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.058 -6.781 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.399 -5.578 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.156 -5.843 1.431 1.00 0.00 H new ATOM 571 N ARG A 38 7.986 -2.402 4.153 1.00 0.00 N ATOM 572 CA ARG A 38 8.292 -1.549 5.266 1.00 0.00 C ATOM 573 C ARG A 38 8.313 -0.074 4.881 1.00 0.00 C ATOM 574 O ARG A 38 7.821 0.748 5.646 1.00 0.00 O ATOM 575 CB ARG A 38 9.592 -1.937 5.990 1.00 0.00 C ATOM 576 CG ARG A 38 9.658 -3.378 6.509 1.00 0.00 C ATOM 577 CD ARG A 38 8.370 -3.816 7.202 1.00 0.00 C ATOM 578 NE ARG A 38 7.922 -2.872 8.244 1.00 0.00 N ATOM 579 CZ ARG A 38 6.924 -3.089 9.118 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.347 -4.289 9.201 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.536 -2.109 9.928 1.00 0.00 N ATOM 0 H ARG A 38 8.746 -3.016 3.861 1.00 0.00 H new ATOM 0 HA ARG A 38 7.475 -1.702 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.428 -1.777 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.733 -1.260 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.864 -4.050 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.490 -3.470 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.582 -3.925 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.522 -4.798 7.651 1.00 0.00 H new ATOM 0 HE ARG A 38 8.411 -1.979 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.663 -5.049 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.590 -4.446 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.995 -1.199 9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.779 -2.267 10.594 1.00 0.00 H new ATOM 595 N GLU A 39 8.838 0.265 3.695 1.00 0.00 N ATOM 596 CA GLU A 39 8.896 1.675 3.300 1.00 0.00 C ATOM 597 C GLU A 39 7.511 2.187 2.950 1.00 0.00 C ATOM 598 O GLU A 39 7.154 3.314 3.291 1.00 0.00 O ATOM 599 CB GLU A 39 9.902 1.963 2.162 1.00 0.00 C ATOM 600 CG GLU A 39 9.540 1.414 0.794 1.00 0.00 C ATOM 601 CD GLU A 39 10.571 1.764 -0.246 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.566 1.020 -0.413 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.410 2.815 -0.917 1.00 0.00 O ATOM 0 H GLU A 39 9.216 -0.394 3.014 1.00 0.00 H new ATOM 0 HA GLU A 39 9.271 2.220 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.023 3.043 2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.871 1.555 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.439 0.330 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.570 1.808 0.490 1.00 0.00 H new ATOM 610 N PHE A 40 6.714 1.340 2.320 1.00 0.00 N ATOM 611 CA PHE A 40 5.359 1.700 1.984 1.00 0.00 C ATOM 612 C PHE A 40 4.523 1.898 3.237 1.00 0.00 C ATOM 613 O PHE A 40 3.741 2.835 3.317 1.00 0.00 O ATOM 614 CB PHE A 40 4.722 0.701 1.026 1.00 0.00 C ATOM 615 CG PHE A 40 5.252 0.772 -0.392 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.011 1.886 -1.182 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.952 -0.287 -0.942 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.460 1.935 -2.490 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.408 -0.243 -2.241 1.00 0.00 C ATOM 620 CZ PHE A 40 6.162 0.864 -3.017 1.00 0.00 C ATOM 0 H PHE A 40 6.988 0.400 2.034 1.00 0.00 H new ATOM 0 HA PHE A 40 5.394 2.653 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.881 -0.306 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.645 0.869 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.467 2.724 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.144 -1.164 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.264 2.806 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.958 -1.078 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.516 0.899 -4.037 1.00 0.00 H new ATOM 630 N GLU A 41 4.757 1.060 4.234 1.00 0.00 N ATOM 631 CA GLU A 41 4.099 1.171 5.529 1.00 0.00 C ATOM 632 C GLU A 41 4.476 2.453 6.293 1.00 0.00 C ATOM 633 O GLU A 41 3.782 2.876 7.222 1.00 0.00 O ATOM 634 CB GLU A 41 4.294 -0.111 6.347 1.00 0.00 C ATOM 635 CG GLU A 41 3.144 -1.071 6.121 1.00 0.00 C ATOM 636 CD GLU A 41 1.924 -0.585 6.816 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.177 0.226 6.252 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.665 -1.084 7.941 1.00 0.00 O ATOM 0 H GLU A 41 5.411 0.280 4.169 1.00 0.00 H new ATOM 0 HA GLU A 41 3.029 1.274 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.233 -0.588 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.366 0.135 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.948 -1.170 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.410 -2.062 6.489 1.00 0.00 H new ATOM 645 N ARG A 42 5.555 3.093 5.874 1.00 0.00 N ATOM 646 CA ARG A 42 5.972 4.370 6.465 1.00 0.00 C ATOM 647 C ARG A 42 5.185 5.493 5.816 1.00 0.00 C ATOM 648 O ARG A 42 4.929 6.531 6.420 1.00 0.00 O ATOM 649 CB ARG A 42 7.463 4.610 6.230 1.00 0.00 C ATOM 650 CG ARG A 42 8.330 3.503 6.749 1.00 0.00 C ATOM 651 CD ARG A 42 9.800 3.702 6.429 1.00 0.00 C ATOM 652 NE ARG A 42 10.427 4.776 7.208 1.00 0.00 N ATOM 653 CZ ARG A 42 11.692 4.726 7.662 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.449 3.660 7.398 1.00 0.00 N ATOM 655 NH2 ARG A 42 12.203 5.728 8.367 1.00 0.00 N ATOM 0 H ARG A 42 6.163 2.756 5.128 1.00 0.00 H new ATOM 0 HA ARG A 42 5.784 4.340 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.641 4.731 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.754 5.545 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.206 3.428 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.996 2.557 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.334 2.770 6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.906 3.924 5.367 1.00 0.00 H new ATOM 0 HE ARG A 42 9.873 5.606 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.068 2.886 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.409 3.619 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.635 6.550 8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.164 5.676 8.705 1.00 0.00 H new ATOM 669 N LEU A 43 4.801 5.259 4.585 1.00 0.00 N ATOM 670 CA LEU A 43 4.065 6.215 3.786 1.00 0.00 C ATOM 671 C LEU A 43 2.581 6.165 4.133 1.00 0.00 C ATOM 672 O LEU A 43 1.911 7.196 4.228 1.00 0.00 O ATOM 673 CB LEU A 43 4.277 5.893 2.297 1.00 0.00 C ATOM 674 CG LEU A 43 5.720 5.989 1.792 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.838 5.430 0.380 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.190 7.436 1.825 1.00 0.00 C ATOM 0 H LEU A 43 4.994 4.383 4.099 1.00 0.00 H new ATOM 0 HA LEU A 43 4.429 7.221 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.912 4.883 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.660 6.571 1.707 1.00 0.00 H new ATOM 0 HG LEU A 43 6.354 5.394 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.871 5.509 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.534 4.383 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.193 5.997 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.217 7.493 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.547 8.042 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.143 7.810 2.848 1.00 0.00 H new ATOM 688 N THR A 44 2.085 4.975 4.350 1.00 0.00 N ATOM 689 CA THR A 44 0.687 4.754 4.645 1.00 0.00 C ATOM 690 C THR A 44 0.323 5.182 6.036 1.00 0.00 C ATOM 691 O THR A 44 -0.779 5.723 6.249 1.00 0.00 O ATOM 692 CB THR A 44 0.373 3.277 4.493 1.00 0.00 C ATOM 693 OG1 THR A 44 1.394 2.551 5.162 1.00 0.00 O ATOM 694 CG2 THR A 44 0.370 2.929 3.053 1.00 0.00 C ATOM 0 H THR A 44 2.643 4.121 4.327 1.00 0.00 H new ATOM 0 HA THR A 44 0.106 5.355 3.945 1.00 0.00 H new ATOM 0 HB THR A 44 -0.602 3.037 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.990 1.833 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.145 1.869 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.387 3.520 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.350 3.142 2.625 1.00 0.00 H new ATOM 702 N GLU A 45 1.254 4.937 6.983 1.00 0.00 N ATOM 703 CA GLU A 45 1.031 5.142 8.389 1.00 0.00 C ATOM 704 C GLU A 45 -0.059 4.146 8.825 1.00 0.00 C ATOM 705 O GLU A 45 -0.764 4.317 9.826 1.00 0.00 O ATOM 706 CB GLU A 45 0.656 6.607 8.664 1.00 0.00 C ATOM 707 CG GLU A 45 0.618 6.960 10.115 1.00 0.00 C ATOM 708 CD GLU A 45 0.436 8.428 10.345 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.721 8.910 10.338 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.452 9.134 10.514 1.00 0.00 O ATOM 0 H GLU A 45 2.187 4.587 6.766 1.00 0.00 H new ATOM 0 HA GLU A 45 1.933 4.957 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.373 7.256 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.321 6.810 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.195 6.417 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.544 6.634 10.589 1.00 0.00 H new ATOM 717 N HIS A 46 -0.132 3.067 8.073 1.00 0.00 N ATOM 718 CA HIS A 46 -1.120 2.071 8.274 1.00 0.00 C ATOM 719 C HIS A 46 -0.559 1.041 9.283 1.00 0.00 C ATOM 720 O HIS A 46 0.639 0.917 9.433 1.00 0.00 O ATOM 721 CB HIS A 46 -1.529 1.438 6.897 1.00 0.00 C ATOM 722 CG HIS A 46 -2.741 0.575 6.952 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.721 -0.716 7.373 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.038 0.890 6.781 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.976 -1.130 7.493 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.818 -0.197 7.131 1.00 0.00 N ATOM 0 H HIS A 46 0.507 2.871 7.302 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.034 2.490 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.701 2.240 6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.694 0.847 6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.410 1.840 6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.265 -2.110 7.844 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.836 -0.258 7.111 1.00 0.00 H new ATOM 734 N PRO A 47 -1.418 0.441 10.089 1.00 0.00 N ATOM 735 CA PRO A 47 -1.030 -0.568 11.087 1.00 0.00 C ATOM 736 C PRO A 47 -0.717 -1.939 10.547 1.00 0.00 C ATOM 737 O PRO A 47 0.286 -2.556 10.888 1.00 0.00 O ATOM 738 CB PRO A 47 -2.285 -0.686 11.922 1.00 0.00 C ATOM 739 CG PRO A 47 -3.398 -0.177 11.109 1.00 0.00 C ATOM 740 CD PRO A 47 -2.817 0.808 10.203 1.00 0.00 C ATOM 0 HA PRO A 47 -0.114 -0.255 11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.461 -1.723 12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.189 -0.113 12.844 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.876 -0.984 10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.165 0.276 11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.310 0.788 9.231 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.928 1.819 10.596 1.00 0.00 H new ATOM 748 N ASP A 48 -1.581 -2.396 9.720 1.00 0.00 N ATOM 749 CA ASP A 48 -1.600 -3.760 9.293 1.00 0.00 C ATOM 750 C ASP A 48 -1.183 -3.803 7.858 1.00 0.00 C ATOM 751 O ASP A 48 -1.375 -4.763 7.189 1.00 0.00 O ATOM 752 CB ASP A 48 -3.042 -4.262 9.450 1.00 0.00 C ATOM 753 CG ASP A 48 -3.306 -5.734 9.163 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.077 -6.588 10.045 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.871 -6.031 8.101 1.00 0.00 O ATOM 0 H ASP A 48 -2.317 -1.824 9.306 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.924 -4.385 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.361 -4.055 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.678 -3.671 8.791 1.00 0.00 H new ATOM 760 N GLY A 49 -0.563 -2.731 7.416 1.00 0.00 N ATOM 761 CA GLY A 49 -0.188 -2.581 5.975 1.00 0.00 C ATOM 762 C GLY A 49 0.624 -3.693 5.444 1.00 0.00 C ATOM 763 O GLY A 49 0.428 -4.144 4.320 1.00 0.00 O ATOM 0 H GLY A 49 -0.298 -1.942 8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.098 -2.494 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.365 -1.650 5.850 1.00 0.00 H new ATOM 767 N SER A 50 1.492 -4.143 6.244 1.00 0.00 N ATOM 768 CA SER A 50 2.318 -5.258 5.916 1.00 0.00 C ATOM 769 C SER A 50 1.474 -6.532 5.812 1.00 0.00 C ATOM 770 O SER A 50 1.494 -7.249 4.803 1.00 0.00 O ATOM 771 CB SER A 50 3.377 -5.360 6.991 1.00 0.00 C ATOM 772 OG SER A 50 2.776 -5.153 8.279 1.00 0.00 O ATOM 0 H SER A 50 1.666 -3.751 7.169 1.00 0.00 H new ATOM 0 HA SER A 50 2.796 -5.128 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.854 -6.339 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.157 -4.619 6.819 1.00 0.00 H new ATOM 0 HG SER A 50 2.358 -5.986 8.582 1.00 0.00 H new ATOM 778 N ASP A 51 0.677 -6.734 6.813 1.00 0.00 N ATOM 779 CA ASP A 51 -0.140 -7.914 6.965 1.00 0.00 C ATOM 780 C ASP A 51 -1.283 -7.939 5.959 1.00 0.00 C ATOM 781 O ASP A 51 -1.784 -8.990 5.630 1.00 0.00 O ATOM 782 CB ASP A 51 -0.659 -8.006 8.398 1.00 0.00 C ATOM 783 CG ASP A 51 0.449 -8.161 9.430 1.00 0.00 C ATOM 784 OD1 ASP A 51 1.384 -7.310 9.475 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.392 -9.106 10.236 1.00 0.00 O ATOM 0 H ASP A 51 0.568 -6.066 7.576 1.00 0.00 H new ATOM 0 HA ASP A 51 0.479 -8.788 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.236 -7.110 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.341 -8.853 8.477 1.00 0.00 H new ATOM 790 N LEU A 52 -1.673 -6.765 5.466 1.00 0.00 N ATOM 791 CA LEU A 52 -2.683 -6.620 4.399 1.00 0.00 C ATOM 792 C LEU A 52 -2.252 -7.375 3.171 1.00 0.00 C ATOM 793 O LEU A 52 -3.069 -7.980 2.476 1.00 0.00 O ATOM 794 CB LEU A 52 -2.840 -5.142 3.968 1.00 0.00 C ATOM 795 CG LEU A 52 -3.448 -4.148 4.948 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.460 -2.772 4.286 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.871 -4.565 5.276 1.00 0.00 C ATOM 0 H LEU A 52 -1.298 -5.875 5.794 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.621 -7.003 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.852 -4.772 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.448 -5.126 3.063 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.865 -4.120 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.892 -2.042 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.440 -2.478 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.057 -2.812 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.306 -3.853 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.465 -4.583 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.865 -5.559 5.724 1.00 0.00 H new ATOM 809 N ILE A 53 -0.960 -7.350 2.930 1.00 0.00 N ATOM 810 CA ILE A 53 -0.393 -7.918 1.732 1.00 0.00 C ATOM 811 C ILE A 53 -0.263 -9.398 1.895 1.00 0.00 C ATOM 812 O ILE A 53 -0.574 -10.179 0.999 1.00 0.00 O ATOM 813 CB ILE A 53 1.002 -7.313 1.489 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.889 -5.798 1.386 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.653 -7.901 0.233 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.212 -5.097 1.422 1.00 0.00 C ATOM 0 H ILE A 53 -0.274 -6.935 3.561 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.043 -7.698 0.885 1.00 0.00 H new ATOM 0 HB ILE A 53 1.644 -7.565 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.376 -5.542 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.270 -5.431 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.636 -7.453 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.759 -8.980 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.028 -7.689 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.056 -4.021 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.718 -5.323 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.826 -5.436 0.588 1.00 0.00 H new ATOM 828 N TYR A 54 0.157 -9.772 3.055 1.00 0.00 N ATOM 829 CA TYR A 54 0.439 -11.132 3.342 1.00 0.00 C ATOM 830 C TYR A 54 -0.817 -11.950 3.665 1.00 0.00 C ATOM 831 O TYR A 54 -0.933 -13.101 3.255 1.00 0.00 O ATOM 832 CB TYR A 54 1.446 -11.210 4.477 1.00 0.00 C ATOM 833 CG TYR A 54 2.788 -10.552 4.184 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.526 -10.877 3.044 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.322 -9.620 5.055 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.756 -10.284 2.794 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.540 -9.021 4.813 1.00 0.00 C ATOM 838 CZ TYR A 54 5.258 -9.353 3.684 1.00 0.00 C ATOM 839 OH TYR A 54 6.490 -8.759 3.457 1.00 0.00 O ATOM 0 H TYR A 54 0.315 -9.135 3.836 1.00 0.00 H new ATOM 0 HA TYR A 54 0.862 -11.578 2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.013 -10.743 5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.617 -12.258 4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.134 -11.601 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.772 -9.355 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.317 -10.548 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.931 -8.292 5.507 1.00 0.00 H new ATOM 0 HH TYR A 54 6.725 -8.846 2.510 1.00 0.00 H new ATOM 849 N TYR A 55 -1.752 -11.368 4.374 1.00 0.00 N ATOM 850 CA TYR A 55 -2.916 -12.095 4.812 1.00 0.00 C ATOM 851 C TYR A 55 -4.198 -11.338 4.467 1.00 0.00 C ATOM 852 O TYR A 55 -4.377 -10.182 4.877 1.00 0.00 O ATOM 853 CB TYR A 55 -2.853 -12.348 6.333 1.00 0.00 C ATOM 854 CG TYR A 55 -1.570 -13.012 6.788 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.305 -14.341 6.485 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.614 -12.300 7.505 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.125 -14.942 6.881 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.564 -12.896 7.909 1.00 0.00 C ATOM 859 CZ TYR A 55 0.805 -14.216 7.591 1.00 0.00 C ATOM 860 OH TYR A 55 1.987 -14.814 7.982 1.00 0.00 O ATOM 0 H TYR A 55 -1.729 -10.389 4.661 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.927 -13.052 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.965 -11.398 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.698 -12.973 6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.033 -14.915 5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.796 -11.264 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.067 -15.976 6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.293 -12.331 8.471 1.00 0.00 H new ATOM 0 HH TYR A 55 2.535 -14.166 8.473 1.00 0.00 H new ATOM 870 N PRO A 56 -5.083 -11.956 3.675 1.00 0.00 N ATOM 871 CA PRO A 56 -6.396 -11.386 3.357 1.00 0.00 C ATOM 872 C PRO A 56 -7.292 -11.390 4.599 1.00 0.00 C ATOM 873 O PRO A 56 -7.154 -12.255 5.460 1.00 0.00 O ATOM 874 CB PRO A 56 -6.953 -12.335 2.286 1.00 0.00 C ATOM 875 CG PRO A 56 -6.239 -13.622 2.508 1.00 0.00 C ATOM 876 CD PRO A 56 -4.876 -13.264 3.029 1.00 0.00 C ATOM 0 HA PRO A 56 -6.342 -10.351 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.031 -12.458 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.771 -11.950 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.776 -14.247 3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.164 -14.190 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.510 -14.007 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.143 -13.202 2.225 1.00 0.00 H new ATOM 884 N ARG A 57 -8.165 -10.421 4.723 1.00 0.00 N ATOM 885 CA ARG A 57 -9.005 -10.355 5.908 1.00 0.00 C ATOM 886 C ARG A 57 -10.387 -11.027 5.746 1.00 0.00 C ATOM 887 O ARG A 57 -10.488 -12.244 5.550 1.00 0.00 O ATOM 888 CB ARG A 57 -9.177 -8.918 6.369 1.00 0.00 C ATOM 889 CG ARG A 57 -7.917 -8.219 6.788 1.00 0.00 C ATOM 890 CD ARG A 57 -8.255 -6.839 7.273 1.00 0.00 C ATOM 891 NE ARG A 57 -7.098 -6.093 7.708 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.168 -4.919 8.324 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.346 -4.423 8.693 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.072 -4.275 8.606 1.00 0.00 N ATOM 0 H ARG A 57 -8.316 -9.680 4.039 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.475 -10.929 6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.637 -8.348 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.875 -8.904 7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.419 -8.783 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.222 -8.163 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.754 -6.291 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.963 -6.914 8.098 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.175 -6.490 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.201 -4.945 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.394 -3.521 9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.167 -4.673 8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.118 -3.373 9.079 1.00 0.00 H new ATOM 908 N ASP A 58 -11.438 -10.221 5.826 1.00 0.00 N ATOM 909 CA ASP A 58 -12.812 -10.710 5.769 1.00 0.00 C ATOM 910 C ASP A 58 -13.576 -10.097 4.604 1.00 0.00 C ATOM 911 O ASP A 58 -13.933 -10.775 3.641 1.00 0.00 O ATOM 912 CB ASP A 58 -13.532 -10.389 7.092 1.00 0.00 C ATOM 913 CG ASP A 58 -14.978 -10.844 7.122 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.861 -10.115 6.626 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.265 -11.928 7.671 1.00 0.00 O ATOM 0 H ASP A 58 -11.363 -9.209 5.932 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.780 -11.789 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.994 -10.863 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.495 -9.313 7.265 1.00 0.00 H new ATOM 920 N ASP A 59 -13.777 -8.801 4.687 1.00 0.00 N ATOM 921 CA ASP A 59 -14.582 -8.034 3.728 1.00 0.00 C ATOM 922 C ASP A 59 -13.805 -7.760 2.452 1.00 0.00 C ATOM 923 O ASP A 59 -14.370 -7.423 1.409 1.00 0.00 O ATOM 924 CB ASP A 59 -15.018 -6.713 4.387 1.00 0.00 C ATOM 925 CG ASP A 59 -15.851 -5.822 3.488 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.041 -6.124 3.275 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.335 -4.793 2.998 1.00 0.00 O ATOM 0 H ASP A 59 -13.383 -8.228 5.433 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.461 -8.618 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.589 -6.939 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.130 -6.165 4.702 1.00 0.00 H new ATOM 932 N ARG A 60 -12.521 -7.952 2.523 1.00 0.00 N ATOM 933 CA ARG A 60 -11.666 -7.654 1.412 1.00 0.00 C ATOM 934 C ARG A 60 -11.729 -8.644 0.305 1.00 0.00 C ATOM 935 O ARG A 60 -12.055 -9.824 0.488 1.00 0.00 O ATOM 936 CB ARG A 60 -10.219 -7.408 1.827 1.00 0.00 C ATOM 937 CG ARG A 60 -10.023 -6.075 2.473 1.00 0.00 C ATOM 938 CD ARG A 60 -10.282 -4.957 1.474 1.00 0.00 C ATOM 939 NE ARG A 60 -10.457 -3.698 2.161 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.186 -2.677 1.730 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.797 -2.741 0.552 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.310 -1.594 2.482 1.00 0.00 N ATOM 0 H ARG A 60 -12.040 -8.316 3.345 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.071 -6.722 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.905 -8.191 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.576 -7.480 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.697 -5.974 3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.007 -5.997 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.448 -4.885 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.171 -5.185 0.886 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.979 -3.584 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.706 -3.577 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.357 -1.954 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.846 -1.547 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.870 -0.807 2.154 1.00 0.00 H new ATOM 956 N GLU A 61 -11.481 -8.133 -0.837 1.00 0.00 N ATOM 957 CA GLU A 61 -11.302 -8.890 -2.000 1.00 0.00 C ATOM 958 C GLU A 61 -9.824 -9.071 -2.144 1.00 0.00 C ATOM 959 O GLU A 61 -9.055 -8.131 -1.880 1.00 0.00 O ATOM 960 CB GLU A 61 -11.857 -8.130 -3.200 1.00 0.00 C ATOM 961 CG GLU A 61 -11.515 -8.762 -4.520 1.00 0.00 C ATOM 962 CD GLU A 61 -12.070 -10.165 -4.670 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.246 -10.298 -5.083 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.351 -11.154 -4.377 1.00 0.00 O ATOM 0 H GLU A 61 -11.394 -7.128 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.819 -9.848 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.941 -8.063 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.472 -7.110 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.901 -8.137 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.431 -8.793 -4.631 1.00 0.00 H new ATOM 971 N ASP A 62 -9.409 -10.228 -2.529 1.00 0.00 N ATOM 972 CA ASP A 62 -8.018 -10.457 -2.702 1.00 0.00 C ATOM 973 C ASP A 62 -7.592 -9.992 -4.055 1.00 0.00 C ATOM 974 O ASP A 62 -7.651 -10.731 -5.039 1.00 0.00 O ATOM 975 CB ASP A 62 -7.606 -11.903 -2.463 1.00 0.00 C ATOM 976 CG ASP A 62 -6.138 -12.122 -2.800 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.266 -11.497 -2.169 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.834 -12.911 -3.721 1.00 0.00 O ATOM 0 H ASP A 62 -10.011 -11.027 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.502 -9.876 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.786 -12.167 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.224 -12.565 -3.070 1.00 0.00 H new ATOM 983 N SER A 63 -7.308 -8.742 -4.135 1.00 0.00 N ATOM 984 CA SER A 63 -6.778 -8.186 -5.303 1.00 0.00 C ATOM 985 C SER A 63 -5.757 -7.157 -4.877 1.00 0.00 C ATOM 986 O SER A 63 -5.839 -6.663 -3.733 1.00 0.00 O ATOM 987 CB SER A 63 -7.924 -7.562 -6.115 1.00 0.00 C ATOM 988 OG SER A 63 -8.696 -6.680 -5.310 1.00 0.00 O ATOM 0 H SER A 63 -7.443 -8.076 -3.374 1.00 0.00 H new ATOM 0 HA SER A 63 -6.294 -8.929 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.517 -7.019 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.563 -8.350 -6.514 1.00 0.00 H new ATOM 0 HG SER A 63 -9.418 -6.294 -5.848 1.00 0.00 H new ATOM 994 N PRO A 64 -4.741 -6.867 -5.714 1.00 0.00 N ATOM 995 CA PRO A 64 -3.797 -5.782 -5.445 1.00 0.00 C ATOM 996 C PRO A 64 -4.608 -4.491 -5.206 1.00 0.00 C ATOM 997 O PRO A 64 -4.324 -3.711 -4.307 1.00 0.00 O ATOM 998 CB PRO A 64 -2.944 -5.724 -6.756 1.00 0.00 C ATOM 999 CG PRO A 64 -3.044 -7.096 -7.308 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.411 -7.596 -6.956 1.00 0.00 C ATOM 0 HA PRO A 64 -3.164 -5.916 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.334 -4.983 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.909 -5.452 -6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.899 -7.091 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.274 -7.741 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.131 -7.385 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.415 -8.675 -6.800 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.677 -4.365 -5.978 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.648 -3.287 -5.886 1.00 0.00 C ATOM 1010 C GLU A 65 -7.276 -3.224 -4.478 1.00 0.00 C ATOM 1011 O GLU A 65 -7.266 -2.174 -3.829 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.790 -3.476 -6.925 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.372 -3.645 -8.402 1.00 0.00 C ATOM 1014 CD GLU A 65 -6.694 -4.966 -8.701 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.398 -5.976 -8.895 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -5.465 -5.018 -8.757 1.00 0.00 O ATOM 0 H GLU A 65 -5.900 -5.036 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.114 -2.359 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.371 -4.352 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.456 -2.615 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.256 -3.551 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.698 -2.832 -8.674 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.803 -4.360 -4.022 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.482 -4.440 -2.737 1.00 0.00 C ATOM 1025 C GLY A 66 -7.599 -4.111 -1.557 1.00 0.00 C ATOM 1026 O GLY A 66 -8.035 -3.447 -0.615 1.00 0.00 O ATOM 0 H GLY A 66 -7.770 -5.243 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.332 -3.758 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.881 -5.446 -2.610 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.360 -4.555 -1.611 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.389 -4.280 -0.551 1.00 0.00 C ATOM 1032 C ILE A 67 -5.134 -2.773 -0.454 1.00 0.00 C ATOM 1033 O ILE A 67 -5.109 -2.188 0.638 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.064 -5.049 -0.810 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.326 -6.564 -0.737 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.974 -4.632 0.179 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.123 -7.421 -1.047 1.00 0.00 C ATOM 0 H ILE A 67 -5.992 -5.113 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.797 -4.626 0.399 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.704 -4.798 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.685 -6.811 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.126 -6.816 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.061 -5.189 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.779 -3.564 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.304 -4.845 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.397 -8.473 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.775 -7.207 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.327 -7.202 -0.335 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.012 -2.152 -1.603 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.812 -0.717 -1.703 1.00 0.00 C ATOM 1051 C VAL A 68 -6.050 0.024 -1.224 1.00 0.00 C ATOM 1052 O VAL A 68 -5.964 1.112 -0.625 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.467 -0.336 -3.159 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.372 1.174 -3.348 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.162 -0.976 -3.501 1.00 0.00 C ATOM 0 H VAL A 68 -5.048 -2.628 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.978 -0.427 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.262 -0.687 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.128 1.396 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.327 1.633 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.593 1.574 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.891 -0.724 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.390 -0.613 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.251 -2.058 -3.404 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.194 -0.583 -1.432 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.417 0.024 -1.033 1.00 0.00 C ATOM 1067 C LYS A 69 -8.548 0.044 0.486 1.00 0.00 C ATOM 1068 O LYS A 69 -9.154 0.954 1.033 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.638 -0.646 -1.636 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.813 0.288 -1.532 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.094 -0.254 -2.047 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.141 0.839 -1.917 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.479 0.416 -2.386 1.00 0.00 N ATOM 0 H LYS A 69 -7.292 -1.496 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.380 1.045 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.451 -0.900 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.852 -1.579 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.947 0.563 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.579 1.204 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.989 -0.562 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.391 -1.138 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.208 1.148 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.821 1.711 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.151 1.202 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.426 0.147 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.802 -0.399 -1.826 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.980 -0.946 1.160 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.035 -0.971 2.613 1.00 0.00 C ATOM 1089 C GLU A 70 -7.286 0.236 3.141 1.00 0.00 C ATOM 1090 O GLU A 70 -7.790 0.986 3.975 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.430 -2.248 3.181 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.760 -2.454 4.652 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.240 -2.671 4.858 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.011 -1.694 5.000 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.682 -3.820 4.814 1.00 0.00 O ATOM 0 H GLU A 70 -7.485 -1.729 0.733 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.079 -0.943 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.793 -3.102 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.347 -2.218 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.208 -3.313 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.435 -1.586 5.225 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.107 0.447 2.582 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.294 1.584 2.902 1.00 0.00 C ATOM 1104 C ILE A 71 -6.024 2.891 2.621 1.00 0.00 C ATOM 1105 O ILE A 71 -5.992 3.801 3.437 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.937 1.515 2.170 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.077 0.517 2.890 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.233 2.867 2.154 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.882 0.073 2.131 1.00 0.00 C ATOM 0 H ILE A 71 -5.693 -0.177 1.889 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.091 1.559 3.973 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.108 1.222 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.751 0.952 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.682 -0.356 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.282 2.776 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.860 3.598 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.053 3.196 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.319 -0.646 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.197 -0.395 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.251 0.934 1.910 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.687 2.983 1.483 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.418 4.168 1.167 1.00 0.00 C ATOM 1123 C LYS A 72 -8.565 4.382 2.151 1.00 0.00 C ATOM 1124 O LYS A 72 -8.592 5.381 2.806 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.888 4.192 -0.311 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.290 3.677 -0.628 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.597 3.720 -2.112 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.603 5.146 -2.638 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.008 5.204 -4.047 1.00 0.00 N ATOM 0 H LYS A 72 -6.727 2.250 0.775 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.738 5.013 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.823 5.221 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.178 3.608 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.388 2.653 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.025 4.276 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.856 3.134 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.567 3.258 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.283 5.752 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.609 5.579 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.967 6.189 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.365 4.619 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.980 4.846 -4.144 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.415 3.380 2.322 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.622 3.491 3.134 1.00 0.00 C ATOM 1145 C GLU A 73 -10.358 3.737 4.594 1.00 0.00 C ATOM 1146 O GLU A 73 -11.073 4.517 5.228 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.532 2.293 2.939 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.270 2.329 1.624 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.207 3.508 1.561 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.354 3.389 2.041 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.830 4.562 1.053 1.00 0.00 O ATOM 0 H GLU A 73 -9.287 2.461 1.899 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.134 4.383 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.940 1.380 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.254 2.254 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.555 2.384 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.833 1.405 1.494 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.350 3.099 5.117 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.984 3.258 6.501 1.00 0.00 C ATOM 1160 C TRP A 74 -8.510 4.693 6.733 1.00 0.00 C ATOM 1161 O TRP A 74 -9.032 5.406 7.594 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.896 2.253 6.828 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.457 2.194 8.249 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.054 1.515 9.263 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.295 2.797 8.799 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.320 1.645 10.409 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.236 2.428 10.151 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.295 3.612 8.273 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.211 2.839 10.981 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.279 4.026 9.085 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.238 3.635 10.430 1.00 0.00 C ATOM 0 H TRP A 74 -8.756 2.452 4.598 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.836 3.075 7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.247 1.263 6.537 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.026 2.477 6.210 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.973 0.955 9.176 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.547 1.224 11.310 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.323 3.912 7.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.177 2.546 12.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.500 4.660 8.688 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.419 3.969 11.050 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.586 5.148 5.903 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.043 6.492 6.035 1.00 0.00 C ATOM 1184 C ARG A 75 -8.115 7.524 5.706 1.00 0.00 C ATOM 1185 O ARG A 75 -8.178 8.595 6.323 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.836 6.666 5.138 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.737 5.668 5.436 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.593 5.808 4.475 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.061 5.935 3.096 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.580 6.814 2.209 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.642 7.688 2.574 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.072 6.865 0.984 1.00 0.00 N ATOM 0 H ARG A 75 -7.196 4.608 5.131 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.723 6.642 7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.144 6.561 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.445 7.677 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.378 5.814 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.138 4.656 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.999 6.683 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.938 4.941 4.559 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.806 5.310 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.289 7.688 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.277 8.357 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.823 6.232 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.701 7.537 0.313 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.978 7.157 4.771 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.107 7.967 4.332 1.00 0.00 C ATOM 1208 C ALA A 76 -11.070 8.228 5.487 1.00 0.00 C ATOM 1209 O ALA A 76 -11.647 9.316 5.595 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.849 7.262 3.177 1.00 0.00 C ATOM 0 H ALA A 76 -8.912 6.264 4.283 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.724 8.925 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.691 7.876 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.166 7.118 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.215 6.293 3.517 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.213 7.239 6.360 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.130 7.319 7.478 1.00 0.00 C ATOM 1218 C ALA A 77 -11.461 8.043 8.609 1.00 0.00 C ATOM 1219 O ALA A 77 -12.063 8.866 9.292 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.560 5.927 7.912 1.00 0.00 C ATOM 0 H ALA A 77 -10.695 6.362 6.309 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.023 7.867 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.249 6.005 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.056 5.424 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.684 5.353 8.213 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.187 7.740 8.771 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.350 8.310 9.804 1.00 0.00 C ATOM 1228 C ASN A 78 -9.155 9.803 9.629 1.00 0.00 C ATOM 1229 O ASN A 78 -8.892 10.511 10.589 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.975 7.630 9.821 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.910 6.249 10.471 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.858 5.866 10.964 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.995 5.520 10.504 1.00 0.00 N ATOM 0 H ASN A 78 -9.696 7.075 8.173 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.865 8.140 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.625 7.541 8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.276 8.286 10.340 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.980 4.603 10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.857 5.868 10.084 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.279 10.275 8.409 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.045 11.673 8.142 1.00 0.00 C ATOM 1242 C GLY A 79 -7.580 11.910 7.941 1.00 0.00 C ATOM 1243 O GLY A 79 -7.026 12.924 8.363 1.00 0.00 O ATOM 0 H GLY A 79 -9.538 9.717 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.598 11.981 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.411 12.278 8.972 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.956 10.948 7.323 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.559 10.960 7.048 1.00 0.00 C ATOM 1249 C LYS A 80 -5.308 11.407 5.629 1.00 0.00 C ATOM 1250 O LYS A 80 -6.232 11.877 4.943 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.005 9.561 7.259 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.770 9.190 8.706 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.351 7.747 8.818 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.804 7.409 10.198 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.770 7.594 11.301 1.00 0.00 N ATOM 0 H LYS A 80 -7.428 10.108 6.988 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.062 11.659 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.695 8.841 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.064 9.471 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.000 9.833 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.680 9.357 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.205 7.105 8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.592 7.532 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.466 6.373 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.929 8.029 10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.335 7.294 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.037 8.597 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.618 7.021 11.119 1.00 0.00 H new ATOM 1269 N SER A 81 -4.071 11.298 5.215 1.00 0.00 N ATOM 1270 CA SER A 81 -3.636 11.577 3.888 1.00 0.00 C ATOM 1271 C SER A 81 -4.326 10.633 2.866 1.00 0.00 C ATOM 1272 O SER A 81 -4.953 9.634 3.247 1.00 0.00 O ATOM 1273 CB SER A 81 -2.146 11.348 3.893 1.00 0.00 C ATOM 1274 OG SER A 81 -1.535 12.104 4.927 1.00 0.00 O ATOM 0 H SER A 81 -3.313 10.998 5.828 1.00 0.00 H new ATOM 0 HA SER A 81 -3.890 12.595 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.935 10.288 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.724 11.631 2.928 1.00 0.00 H new ATOM 0 HG SER A 81 -0.568 11.945 4.921 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.175 10.929 1.591 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.813 10.128 0.576 1.00 0.00 C ATOM 1282 C GLY A 82 -3.846 9.772 -0.508 1.00 0.00 C ATOM 1283 O GLY A 82 -2.667 9.504 -0.216 1.00 0.00 O ATOM 0 H GLY A 82 -3.622 11.710 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.215 9.219 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.656 10.674 0.152 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.329 9.699 -1.721 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.516 9.518 -2.874 1.00 0.00 C ATOM 1289 C PHE A 83 -3.582 10.786 -3.735 1.00 0.00 C ATOM 1290 O PHE A 83 -4.294 11.741 -3.386 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.972 8.286 -3.669 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.831 6.980 -2.909 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.576 6.563 -2.524 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.938 6.171 -2.565 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.401 5.396 -1.830 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.744 4.997 -1.866 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.478 4.612 -1.500 1.00 0.00 C ATOM 0 H PHE A 83 -5.325 9.767 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.483 9.346 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.015 8.417 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.392 8.224 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.716 7.167 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.936 6.472 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.407 5.090 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.591 4.379 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.330 3.693 -0.953 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.821 10.822 -4.795 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.823 11.938 -5.732 1.00 0.00 C ATOM 1309 C LYS A 84 -4.116 11.957 -6.512 1.00 0.00 C ATOM 1310 O LYS A 84 -4.553 10.929 -7.049 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.664 11.802 -6.714 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.587 12.886 -7.800 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.998 14.185 -7.288 1.00 0.00 C ATOM 1314 CE LYS A 84 0.453 13.981 -6.912 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.131 15.220 -6.516 1.00 0.00 N ATOM 0 H LYS A 84 -2.172 10.076 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.719 12.863 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.731 11.809 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.735 10.829 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.983 12.520 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.587 13.074 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.079 14.957 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.561 14.533 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.511 13.265 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.981 13.540 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.007 14.988 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.361 15.776 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.506 15.775 -5.897 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.712 13.104 -6.582 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.931 13.275 -7.324 1.00 0.00 C ATOM 1331 C GLN A 85 -5.644 13.616 -8.796 1.00 0.00 C ATOM 1332 O GLN A 85 -5.748 14.765 -9.227 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.926 14.279 -6.652 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.402 15.709 -6.405 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.343 15.810 -5.314 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.339 15.050 -4.343 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -4.423 16.707 -5.485 1.00 0.00 N ATOM 0 H GLN A 85 -4.372 13.952 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.446 12.314 -7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.817 14.346 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.238 13.860 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.986 16.097 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.242 16.350 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.454 17.321 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.668 16.799 -4.806 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.186 12.630 -9.528 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.929 12.801 -10.932 1.00 0.00 C ATOM 1348 C GLY A 86 -4.402 11.533 -11.535 1.00 0.00 C ATOM 1349 O GLY A 86 -3.191 11.361 -11.590 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.213 10.651 -11.891 1.00 0.00 O ATOM 0 H GLY A 86 -4.983 11.697 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.846 13.097 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.209 13.606 -11.079 1.00 0.00 H new TER 1354 GLY A 86