USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 28 TYR OH : rot 30:sc= 0.779 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -130:sc= 0.889 (180deg=0.0778) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0.981! (180deg=0.617) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.0527 (180deg=-0.603) USER MOD Single : A 14 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -3.01! (180deg=-4.08!) USER MOD Single : A 17 THR OG1 : rot 16:sc= 0.365 USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= 0.15! (180deg=-1.25!) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.261 (180deg=-1.08) USER MOD Single : A 29 SER OG : rot 68:sc= 0.73 USER MOD Single : A 30 HIS : no HD1:sc= -2.87! K(o=-2.9!,f=-2.3) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.5) USER MOD Single : A 35 THR OG1 : rot -87:sc= 1.01 USER MOD Single : A 40 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.25) USER MOD Single : A 41 THR OG1 : rot 171:sc= -0.381 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 0.0227 (180deg=-1.94!) USER MOD Single : A 59 ASN : amide:sc= -1.1 K(o=-1.1,f=-8!) USER MOD Single : A 62 LYS NZ :NH3+ -108:sc= -1.12! (180deg=-6.54!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= 0.674 (180deg=-2.37!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -5.71! (180deg=-7.02!) USER MOD Single : A 73 TYR OH : rot 83:sc= -2.08! USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= -1.76! (180deg=-7.13!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0.271 (180deg=-2.87!) USER MOD Single : A 82 LYS NZ :NH3+ -127:sc= -0.855! (180deg=-3.55!) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 0.804 (180deg=0.503) USER MOD Single : A 84 TYR OH : rot -179:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 4.935 1.619 -1.195 1.00 0.16 N ATOM 42 CA GLU A 4 5.647 0.439 -0.633 1.00 0.19 C ATOM 43 C GLU A 4 7.015 0.395 -1.239 1.00 0.11 C ATOM 44 O GLU A 4 8.046 0.184 -0.634 1.00 0.23 O ATOM 45 CB GLU A 4 4.896 -0.806 -1.012 1.00 0.33 C ATOM 46 CG GLU A 4 3.843 -1.253 0.009 1.00 0.62 C ATOM 47 CD GLU A 4 3.265 -2.583 -0.490 1.00 2.22 C ATOM 48 OE1 GLU A 4 2.694 -2.543 -1.566 1.00 3.11 O ATOM 49 OE2 GLU A 4 3.432 -3.554 0.225 1.00 2.80 O ATOM 0 HA GLU A 4 5.714 0.507 0.453 1.00 0.19 H new ATOM 0 HB2 GLU A 4 4.405 -0.641 -1.971 1.00 0.33 H new ATOM 0 HB3 GLU A 4 5.611 -1.616 -1.155 1.00 0.33 H new ATOM 0 HG2 GLU A 4 4.290 -1.374 0.996 1.00 0.62 H new ATOM 0 HG3 GLU A 4 3.057 -0.504 0.105 1.00 0.62 H new ATOM 56 N PHE A 5 6.900 0.642 -2.489 1.00 0.09 N ATOM 57 CA PHE A 5 8.053 0.663 -3.387 1.00 0.08 C ATOM 58 C PHE A 5 8.985 1.855 -3.052 1.00 0.20 C ATOM 59 O PHE A 5 10.176 1.720 -2.866 1.00 0.27 O ATOM 60 CB PHE A 5 7.375 0.712 -4.695 1.00 0.18 C ATOM 61 CG PHE A 5 8.438 0.995 -5.712 1.00 0.19 C ATOM 62 CD1 PHE A 5 8.780 2.292 -5.906 1.00 1.33 C ATOM 63 CD2 PHE A 5 9.059 -0.010 -6.404 1.00 1.06 C ATOM 64 CE1 PHE A 5 9.760 2.603 -6.801 1.00 1.35 C ATOM 65 CE2 PHE A 5 10.048 0.280 -7.312 1.00 1.08 C ATOM 66 CZ PHE A 5 10.396 1.597 -7.507 1.00 0.30 C ATOM 0 H PHE A 5 6.010 0.840 -2.947 1.00 0.09 H new ATOM 0 HA PHE A 5 8.744 -0.178 -3.326 1.00 0.08 H new ATOM 0 HB2 PHE A 5 6.875 -0.233 -4.909 1.00 0.18 H new ATOM 0 HB3 PHE A 5 6.610 1.488 -4.707 1.00 0.18 H new ATOM 0 HD1 PHE A 5 8.279 3.074 -5.355 1.00 1.33 H new ATOM 0 HD2 PHE A 5 8.770 -1.037 -6.235 1.00 1.06 H new ATOM 0 HE1 PHE A 5 10.040 3.634 -6.959 1.00 1.35 H new ATOM 0 HE2 PHE A 5 10.542 -0.508 -7.861 1.00 1.08 H new ATOM 0 HZ PHE A 5 11.171 1.847 -8.216 1.00 0.30 H new ATOM 76 N ASP A 6 8.390 3.012 -3.008 1.00 0.22 N ATOM 77 CA ASP A 6 9.106 4.274 -2.691 1.00 0.35 C ATOM 78 C ASP A 6 10.022 4.078 -1.492 1.00 0.31 C ATOM 79 O ASP A 6 11.172 4.468 -1.455 1.00 0.30 O ATOM 80 CB ASP A 6 7.974 5.251 -2.478 1.00 0.46 C ATOM 81 CG ASP A 6 7.233 5.365 -3.790 1.00 0.39 C ATOM 82 OD1 ASP A 6 7.610 6.203 -4.581 1.00 1.14 O ATOM 83 OD2 ASP A 6 6.328 4.559 -3.907 1.00 1.09 O ATOM 0 H ASP A 6 7.394 3.137 -3.187 1.00 0.22 H new ATOM 0 HA ASP A 6 9.786 4.632 -3.464 1.00 0.35 H new ATOM 0 HB2 ASP A 6 7.308 4.903 -1.688 1.00 0.46 H new ATOM 0 HB3 ASP A 6 8.357 6.223 -2.166 1.00 0.46 H new ATOM 88 N LYS A 7 9.431 3.440 -0.533 1.00 0.37 N ATOM 89 CA LYS A 7 10.183 3.149 0.727 1.00 0.42 C ATOM 90 C LYS A 7 11.341 2.206 0.348 1.00 0.40 C ATOM 91 O LYS A 7 12.481 2.390 0.728 1.00 0.55 O ATOM 92 CB LYS A 7 9.286 2.454 1.738 1.00 0.56 C ATOM 93 CG LYS A 7 10.155 2.364 3.009 1.00 0.71 C ATOM 94 CD LYS A 7 9.513 1.393 3.980 1.00 1.16 C ATOM 95 CE LYS A 7 10.135 1.618 5.374 1.00 1.49 C ATOM 96 NZ LYS A 7 11.620 1.378 5.320 1.00 2.06 N ATOM 0 H LYS A 7 8.468 3.106 -0.557 1.00 0.37 H new ATOM 0 HA LYS A 7 10.544 4.075 1.175 1.00 0.42 H new ATOM 0 HB2 LYS A 7 8.373 3.022 1.918 1.00 0.56 H new ATOM 0 HB3 LYS A 7 8.984 1.466 1.391 1.00 0.56 H new ATOM 0 HG2 LYS A 7 11.161 2.031 2.754 1.00 0.71 H new ATOM 0 HG3 LYS A 7 10.252 3.347 3.469 1.00 0.71 H new ATOM 0 HD2 LYS A 7 8.435 1.549 4.016 1.00 1.16 H new ATOM 0 HD3 LYS A 7 9.676 0.366 3.653 1.00 1.16 H new ATOM 0 HE2 LYS A 7 9.935 2.635 5.711 1.00 1.49 H new ATOM 0 HE3 LYS A 7 9.676 0.946 6.099 1.00 1.49 H new ATOM 0 HZ1 LYS A 7 11.997 1.314 6.287 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 11.810 0.489 4.815 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 12.081 2.165 4.821 1.00 2.06 H new ATOM 110 N ALA A 8 11.028 1.181 -0.398 1.00 0.26 N ATOM 111 CA ALA A 8 12.129 0.257 -0.795 1.00 0.28 C ATOM 112 C ALA A 8 13.244 1.129 -1.432 1.00 0.26 C ATOM 113 O ALA A 8 14.398 1.014 -1.083 1.00 0.32 O ATOM 114 CB ALA A 8 11.569 -0.735 -1.775 1.00 0.19 C ATOM 0 H ALA A 8 10.095 0.948 -0.739 1.00 0.26 H new ATOM 0 HA ALA A 8 12.545 -0.295 0.048 1.00 0.28 H new ATOM 0 HB1 ALA A 8 12.354 -1.425 -2.083 1.00 0.19 H new ATOM 0 HB2 ALA A 8 10.759 -1.293 -1.305 1.00 0.19 H new ATOM 0 HB3 ALA A 8 11.186 -0.207 -2.649 1.00 0.19 H new ATOM 120 N ALA A 9 12.889 2.000 -2.356 1.00 0.21 N ATOM 121 CA ALA A 9 13.914 2.878 -3.001 1.00 0.29 C ATOM 122 C ALA A 9 14.511 3.971 -2.066 1.00 0.30 C ATOM 123 O ALA A 9 15.126 4.909 -2.532 1.00 0.78 O ATOM 124 CB ALA A 9 13.240 3.513 -4.191 1.00 0.33 C ATOM 0 H ALA A 9 11.934 2.137 -2.687 1.00 0.21 H new ATOM 0 HA ALA A 9 14.771 2.264 -3.278 1.00 0.29 H new ATOM 0 HB1 ALA A 9 13.946 4.168 -4.702 1.00 0.33 H new ATOM 0 HB2 ALA A 9 12.904 2.735 -4.877 1.00 0.33 H new ATOM 0 HB3 ALA A 9 12.382 4.096 -3.855 1.00 0.33 H new ATOM 130 N GLU A 10 14.312 3.798 -0.793 1.00 0.62 N ATOM 131 CA GLU A 10 14.802 4.714 0.266 1.00 0.62 C ATOM 132 C GLU A 10 15.778 3.773 0.931 1.00 0.57 C ATOM 133 O GLU A 10 16.971 3.987 0.997 1.00 0.56 O ATOM 134 CB GLU A 10 13.618 5.098 1.235 1.00 0.86 C ATOM 135 CG GLU A 10 13.696 4.445 2.704 1.00 2.90 C ATOM 136 CD GLU A 10 12.535 4.748 3.659 1.00 3.57 C ATOM 137 OE1 GLU A 10 11.846 5.734 3.472 1.00 3.14 O ATOM 138 OE2 GLU A 10 12.411 3.920 4.560 1.00 4.66 O ATOM 0 H GLU A 10 13.793 3.002 -0.423 1.00 0.62 H new ATOM 0 HA GLU A 10 15.218 5.668 -0.060 1.00 0.62 H new ATOM 0 HB2 GLU A 10 13.591 6.183 1.338 1.00 0.86 H new ATOM 0 HB3 GLU A 10 12.678 4.799 0.771 1.00 0.86 H new ATOM 0 HG2 GLU A 10 13.769 3.363 2.591 1.00 2.90 H new ATOM 0 HG3 GLU A 10 14.620 4.780 3.176 1.00 2.90 H new ATOM 145 N GLU A 11 15.206 2.695 1.391 1.00 0.59 N ATOM 146 CA GLU A 11 16.020 1.676 2.093 1.00 0.59 C ATOM 147 C GLU A 11 17.199 1.264 1.250 1.00 0.43 C ATOM 148 O GLU A 11 18.332 1.309 1.683 1.00 0.50 O ATOM 149 CB GLU A 11 15.125 0.486 2.417 1.00 0.89 C ATOM 150 CG GLU A 11 14.208 0.911 3.554 1.00 0.94 C ATOM 151 CD GLU A 11 14.331 0.032 4.816 1.00 1.13 C ATOM 152 OE1 GLU A 11 15.413 -0.070 5.386 1.00 1.78 O ATOM 153 OE2 GLU A 11 13.276 -0.498 5.135 1.00 1.02 O ATOM 0 H GLU A 11 14.212 2.480 1.309 1.00 0.59 H new ATOM 0 HA GLU A 11 16.420 2.089 3.019 1.00 0.59 H new ATOM 0 HB2 GLU A 11 14.544 0.192 1.543 1.00 0.89 H new ATOM 0 HB3 GLU A 11 15.723 -0.378 2.707 1.00 0.89 H new ATOM 0 HG2 GLU A 11 14.429 1.945 3.820 1.00 0.94 H new ATOM 0 HG3 GLU A 11 13.176 0.886 3.204 1.00 0.94 H new ATOM 160 N VAL A 12 16.899 0.876 0.042 1.00 0.23 N ATOM 161 CA VAL A 12 17.926 0.444 -0.903 1.00 0.11 C ATOM 162 C VAL A 12 18.846 1.644 -1.135 1.00 0.10 C ATOM 163 O VAL A 12 20.053 1.565 -1.058 1.00 0.21 O ATOM 164 CB VAL A 12 17.182 -0.018 -2.153 1.00 0.06 C ATOM 165 CG1 VAL A 12 17.188 0.980 -3.271 1.00 0.04 C ATOM 166 CG2 VAL A 12 17.762 -1.296 -2.610 1.00 0.10 C ATOM 0 H VAL A 12 15.948 0.845 -0.326 1.00 0.23 H new ATOM 0 HA VAL A 12 18.551 -0.381 -0.560 1.00 0.11 H new ATOM 0 HB VAL A 12 16.136 -0.140 -1.873 1.00 0.06 H new ATOM 0 HG11 VAL A 12 16.639 0.576 -4.122 1.00 0.04 H new ATOM 0 HG12 VAL A 12 16.713 1.903 -2.938 1.00 0.04 H new ATOM 0 HG13 VAL A 12 18.216 1.188 -3.568 1.00 0.04 H new ATOM 0 HG21 VAL A 12 17.237 -1.635 -3.503 1.00 0.10 H new ATOM 0 HG22 VAL A 12 18.818 -1.154 -2.841 1.00 0.10 H new ATOM 0 HG23 VAL A 12 17.660 -2.044 -1.824 1.00 0.10 H new ATOM 176 N LYS A 13 18.253 2.777 -1.396 1.00 0.25 N ATOM 177 CA LYS A 13 19.085 3.973 -1.639 1.00 0.41 C ATOM 178 C LYS A 13 19.863 4.415 -0.389 1.00 0.47 C ATOM 179 O LYS A 13 20.689 5.307 -0.461 1.00 0.68 O ATOM 180 CB LYS A 13 18.234 5.139 -2.029 1.00 0.49 C ATOM 181 CG LYS A 13 18.112 5.285 -3.514 1.00 0.58 C ATOM 182 CD LYS A 13 17.672 6.756 -3.769 1.00 1.06 C ATOM 183 CE LYS A 13 18.751 7.535 -4.531 1.00 0.62 C ATOM 184 NZ LYS A 13 20.103 7.404 -3.879 1.00 0.89 N ATOM 0 H LYS A 13 17.244 2.919 -1.450 1.00 0.25 H new ATOM 0 HA LYS A 13 19.777 3.688 -2.431 1.00 0.41 H new ATOM 0 HB2 LYS A 13 17.241 5.022 -1.595 1.00 0.49 H new ATOM 0 HB3 LYS A 13 18.659 6.051 -1.611 1.00 0.49 H new ATOM 0 HG2 LYS A 13 19.061 5.071 -4.006 1.00 0.58 H new ATOM 0 HG3 LYS A 13 17.380 4.584 -3.916 1.00 0.58 H new ATOM 0 HD2 LYS A 13 16.742 6.767 -4.338 1.00 1.06 H new ATOM 0 HD3 LYS A 13 17.469 7.247 -2.818 1.00 1.06 H new ATOM 0 HE2 LYS A 13 18.806 7.171 -5.557 1.00 0.62 H new ATOM 0 HE3 LYS A 13 18.472 8.588 -4.581 1.00 0.62 H new ATOM 0 HZ1 LYS A 13 20.666 8.257 -4.072 1.00 0.89 H new ATOM 0 HZ2 LYS A 13 19.984 7.293 -2.852 1.00 0.89 H new ATOM 0 HZ3 LYS A 13 20.594 6.572 -4.263 1.00 0.89 H new ATOM 198 N HIS A 14 19.565 3.776 0.706 1.00 0.30 N ATOM 199 CA HIS A 14 20.235 4.113 1.989 1.00 0.40 C ATOM 200 C HIS A 14 21.074 2.911 2.410 1.00 0.41 C ATOM 201 O HIS A 14 21.712 2.930 3.446 1.00 0.47 O ATOM 202 CB HIS A 14 19.143 4.423 3.044 1.00 0.42 C ATOM 203 CG HIS A 14 18.340 5.699 2.800 1.00 0.47 C ATOM 204 ND1 HIS A 14 17.050 5.716 2.741 1.00 0.60 N ATOM 205 CD2 HIS A 14 18.708 7.015 2.615 1.00 0.83 C ATOM 206 CE1 HIS A 14 16.634 6.928 2.541 1.00 0.65 C ATOM 207 NE2 HIS A 14 17.637 7.767 2.456 1.00 0.75 N ATOM 0 H HIS A 14 18.877 3.025 0.766 1.00 0.30 H new ATOM 0 HA HIS A 14 20.882 4.984 1.889 1.00 0.40 H new ATOM 0 HB2 HIS A 14 18.452 3.581 3.085 1.00 0.42 H new ATOM 0 HB3 HIS A 14 19.617 4.494 4.023 1.00 0.42 H new ATOM 0 HD2 HIS A 14 19.725 7.377 2.602 1.00 0.83 H new ATOM 0 HE1 HIS A 14 15.595 7.210 2.456 1.00 0.65 H new ATOM 0 HE2 HIS A 14 17.598 8.774 2.302 1.00 0.75 H new ATOM 215 N LEU A 15 21.071 1.870 1.609 1.00 0.38 N ATOM 216 CA LEU A 15 21.849 0.664 1.931 1.00 0.37 C ATOM 217 C LEU A 15 23.189 1.012 2.495 1.00 0.49 C ATOM 218 O LEU A 15 24.036 1.450 1.747 1.00 0.64 O ATOM 219 CB LEU A 15 21.993 -0.126 0.659 1.00 0.46 C ATOM 220 CG LEU A 15 20.729 -0.828 0.353 1.00 0.39 C ATOM 221 CD1 LEU A 15 20.804 -1.266 -1.090 1.00 0.65 C ATOM 222 CD2 LEU A 15 20.582 -2.060 1.196 1.00 0.56 C ATOM 0 H LEU A 15 20.548 1.820 0.735 1.00 0.38 H new ATOM 0 HA LEU A 15 21.335 0.079 2.694 1.00 0.37 H new ATOM 0 HB2 LEU A 15 22.258 0.539 -0.163 1.00 0.46 H new ATOM 0 HB3 LEU A 15 22.804 -0.847 0.759 1.00 0.46 H new ATOM 0 HG LEU A 15 19.887 -0.164 0.548 1.00 0.39 H new ATOM 0 HD11 LEU A 15 19.887 -1.791 -1.359 1.00 0.65 H new ATOM 0 HD12 LEU A 15 20.923 -0.392 -1.730 1.00 0.65 H new ATOM 0 HD13 LEU A 15 21.656 -1.932 -1.224 1.00 0.65 H new ATOM 0 HD21 LEU A 15 19.644 -2.558 0.952 1.00 0.56 H new ATOM 0 HD22 LEU A 15 21.414 -2.736 1.000 1.00 0.56 H new ATOM 0 HD23 LEU A 15 20.581 -1.782 2.250 1.00 0.56 H new ATOM 234 N LYS A 16 23.386 0.838 3.772 1.00 0.63 N ATOM 235 CA LYS A 16 24.718 1.168 4.357 1.00 0.78 C ATOM 236 C LYS A 16 25.861 0.631 3.473 1.00 0.75 C ATOM 237 O LYS A 16 26.987 1.066 3.563 1.00 0.86 O ATOM 238 CB LYS A 16 24.784 0.552 5.761 1.00 0.83 C ATOM 239 CG LYS A 16 23.855 1.296 6.758 1.00 1.68 C ATOM 240 CD LYS A 16 23.951 0.499 8.087 1.00 1.93 C ATOM 241 CE LYS A 16 23.282 1.164 9.304 1.00 2.78 C ATOM 242 NZ LYS A 16 21.929 1.679 8.948 1.00 3.38 N ATOM 0 H LYS A 16 22.692 0.486 4.431 1.00 0.63 H new ATOM 0 HA LYS A 16 24.839 2.250 4.414 1.00 0.78 H new ATOM 0 HB2 LYS A 16 24.498 -0.499 5.711 1.00 0.83 H new ATOM 0 HB3 LYS A 16 25.811 0.586 6.125 1.00 0.83 H new ATOM 0 HG2 LYS A 16 24.174 2.329 6.896 1.00 1.68 H new ATOM 0 HG3 LYS A 16 22.829 1.326 6.391 1.00 1.68 H new ATOM 0 HD2 LYS A 16 23.500 -0.482 7.936 1.00 1.93 H new ATOM 0 HD3 LYS A 16 25.004 0.334 8.317 1.00 1.93 H new ATOM 0 HE2 LYS A 16 23.199 0.444 10.118 1.00 2.78 H new ATOM 0 HE3 LYS A 16 23.905 1.983 9.665 1.00 2.78 H new ATOM 0 HZ1 LYS A 16 21.803 2.630 9.349 1.00 3.38 H new ATOM 0 HZ2 LYS A 16 21.836 1.724 7.913 1.00 3.38 H new ATOM 0 HZ3 LYS A 16 21.203 1.042 9.333 1.00 3.38 H new ATOM 256 N THR A 17 25.539 -0.315 2.628 1.00 0.63 N ATOM 257 CA THR A 17 26.571 -0.917 1.725 1.00 0.59 C ATOM 258 C THR A 17 26.396 -1.429 0.253 1.00 0.42 C ATOM 259 O THR A 17 25.857 -2.497 0.089 1.00 0.31 O ATOM 260 CB THR A 17 27.174 -2.032 2.598 1.00 0.63 C ATOM 261 OG1 THR A 17 28.074 -1.408 3.499 1.00 0.75 O ATOM 262 CG2 THR A 17 28.028 -2.965 1.842 1.00 0.64 C ATOM 0 H THR A 17 24.600 -0.700 2.523 1.00 0.63 H new ATOM 0 HA THR A 17 27.127 -0.034 1.410 1.00 0.59 H new ATOM 0 HB THR A 17 26.340 -2.570 3.049 1.00 0.63 H new ATOM 0 HG1 THR A 17 27.899 -0.444 3.521 1.00 0.75 H new ATOM 0 HG21 THR A 17 28.421 -3.726 2.516 1.00 0.64 H new ATOM 0 HG22 THR A 17 27.440 -3.443 1.059 1.00 0.64 H new ATOM 0 HG23 THR A 17 28.855 -2.417 1.391 1.00 0.64 H new ATOM 270 N LYS A 18 26.801 -0.707 -0.772 1.00 0.38 N ATOM 271 CA LYS A 18 26.716 -1.134 -2.223 1.00 0.28 C ATOM 272 C LYS A 18 26.614 -2.685 -2.388 1.00 0.26 C ATOM 273 O LYS A 18 27.635 -3.350 -2.510 1.00 0.25 O ATOM 274 CB LYS A 18 27.994 -0.632 -2.934 1.00 0.31 C ATOM 275 CG LYS A 18 27.963 -1.018 -4.432 1.00 0.96 C ATOM 276 CD LYS A 18 29.399 -1.352 -4.947 1.00 0.71 C ATOM 277 CE LYS A 18 29.781 -2.793 -4.556 1.00 1.22 C ATOM 278 NZ LYS A 18 28.729 -3.681 -5.127 1.00 2.18 N ATOM 0 H LYS A 18 27.213 0.219 -0.656 1.00 0.38 H new ATOM 0 HA LYS A 18 25.812 -0.707 -2.657 1.00 0.28 H new ATOM 0 HB2 LYS A 18 28.074 0.450 -2.832 1.00 0.31 H new ATOM 0 HB3 LYS A 18 28.875 -1.063 -2.459 1.00 0.31 H new ATOM 0 HG2 LYS A 18 27.310 -1.879 -4.577 1.00 0.96 H new ATOM 0 HG3 LYS A 18 27.544 -0.198 -5.015 1.00 0.96 H new ATOM 0 HD2 LYS A 18 29.441 -1.238 -6.030 1.00 0.71 H new ATOM 0 HD3 LYS A 18 30.118 -0.650 -4.524 1.00 0.71 H new ATOM 0 HE2 LYS A 18 30.764 -3.054 -4.949 1.00 1.22 H new ATOM 0 HE3 LYS A 18 29.832 -2.900 -3.472 1.00 1.22 H new ATOM 0 HZ1 LYS A 18 29.153 -4.591 -5.399 1.00 2.18 H new ATOM 0 HZ2 LYS A 18 27.988 -3.843 -4.416 1.00 2.18 H new ATOM 0 HZ3 LYS A 18 28.311 -3.230 -5.966 1.00 2.18 H new ATOM 292 N PRO A 19 25.423 -3.218 -2.404 1.00 0.25 N ATOM 293 CA PRO A 19 25.256 -4.682 -2.549 1.00 0.27 C ATOM 294 C PRO A 19 25.962 -5.287 -3.757 1.00 0.27 C ATOM 295 O PRO A 19 26.494 -4.563 -4.581 1.00 0.29 O ATOM 296 CB PRO A 19 23.762 -4.832 -2.570 1.00 0.31 C ATOM 297 CG PRO A 19 23.306 -3.649 -1.676 1.00 0.34 C ATOM 298 CD PRO A 19 24.120 -2.515 -2.284 1.00 0.26 C ATOM 0 HA PRO A 19 25.732 -5.241 -1.744 1.00 0.27 H new ATOM 0 HB2 PRO A 19 23.359 -4.759 -3.580 1.00 0.31 H new ATOM 0 HB3 PRO A 19 23.443 -5.794 -2.168 1.00 0.31 H new ATOM 0 HG2 PRO A 19 22.233 -3.470 -1.740 1.00 0.34 H new ATOM 0 HG3 PRO A 19 23.540 -3.810 -0.624 1.00 0.34 H new ATOM 0 HD2 PRO A 19 23.729 -2.182 -3.245 1.00 0.26 H new ATOM 0 HD3 PRO A 19 24.171 -1.638 -1.639 1.00 0.26 H new ATOM 306 N ALA A 20 25.965 -6.594 -3.840 1.00 0.29 N ATOM 307 CA ALA A 20 26.645 -7.215 -5.024 1.00 0.30 C ATOM 308 C ALA A 20 26.062 -6.489 -6.256 1.00 0.40 C ATOM 309 O ALA A 20 24.854 -6.321 -6.345 1.00 0.50 O ATOM 310 CB ALA A 20 26.323 -8.717 -5.075 1.00 0.20 C ATOM 0 H ALA A 20 25.545 -7.239 -3.170 1.00 0.29 H new ATOM 0 HA ALA A 20 27.730 -7.118 -4.981 1.00 0.30 H new ATOM 0 HB1 ALA A 20 26.818 -9.166 -5.936 1.00 0.20 H new ATOM 0 HB2 ALA A 20 26.677 -9.196 -4.162 1.00 0.20 H new ATOM 0 HB3 ALA A 20 25.245 -8.855 -5.163 1.00 0.20 H new ATOM 316 N ASP A 21 26.902 -6.054 -7.163 1.00 0.40 N ATOM 317 CA ASP A 21 26.370 -5.352 -8.363 1.00 0.51 C ATOM 318 C ASP A 21 25.131 -6.105 -8.852 1.00 0.58 C ATOM 319 O ASP A 21 24.137 -5.480 -9.099 1.00 0.78 O ATOM 320 CB ASP A 21 27.472 -5.310 -9.429 1.00 0.33 C ATOM 321 CG ASP A 21 28.760 -4.641 -8.958 1.00 0.41 C ATOM 322 OD1 ASP A 21 28.962 -4.452 -7.758 1.00 0.75 O ATOM 323 OD2 ASP A 21 29.485 -4.374 -9.902 1.00 1.46 O ATOM 0 H ASP A 21 27.916 -6.154 -7.123 1.00 0.40 H new ATOM 0 HA ASP A 21 26.079 -4.327 -8.135 1.00 0.51 H new ATOM 0 HB2 ASP A 21 27.697 -6.328 -9.745 1.00 0.33 H new ATOM 0 HB3 ASP A 21 27.097 -4.780 -10.305 1.00 0.33 H new ATOM 328 N GLU A 22 25.164 -7.399 -8.985 1.00 0.49 N ATOM 329 CA GLU A 22 23.939 -8.124 -9.456 1.00 0.56 C ATOM 330 C GLU A 22 22.624 -7.735 -8.732 1.00 0.59 C ATOM 331 O GLU A 22 21.570 -7.598 -9.332 1.00 0.61 O ATOM 332 CB GLU A 22 24.190 -9.638 -9.296 1.00 0.54 C ATOM 333 CG GLU A 22 25.237 -10.076 -10.334 1.00 0.48 C ATOM 334 CD GLU A 22 24.645 -10.103 -11.732 1.00 2.50 C ATOM 335 OE1 GLU A 22 24.621 -9.008 -12.275 1.00 3.82 O ATOM 336 OE2 GLU A 22 24.269 -11.185 -12.142 1.00 2.94 O ATOM 0 H GLU A 22 25.974 -7.988 -8.792 1.00 0.49 H new ATOM 0 HA GLU A 22 23.784 -7.834 -10.495 1.00 0.56 H new ATOM 0 HB2 GLU A 22 24.542 -9.858 -8.288 1.00 0.54 H new ATOM 0 HB3 GLU A 22 23.262 -10.192 -9.438 1.00 0.54 H new ATOM 0 HG2 GLU A 22 26.086 -9.393 -10.309 1.00 0.48 H new ATOM 0 HG3 GLU A 22 25.616 -11.065 -10.077 1.00 0.48 H new ATOM 343 N GLU A 23 22.740 -7.544 -7.445 1.00 0.60 N ATOM 344 CA GLU A 23 21.535 -7.177 -6.650 1.00 0.63 C ATOM 345 C GLU A 23 21.226 -5.713 -7.008 1.00 0.67 C ATOM 346 O GLU A 23 20.086 -5.390 -7.308 1.00 0.65 O ATOM 347 CB GLU A 23 21.861 -7.387 -5.111 1.00 0.57 C ATOM 348 CG GLU A 23 22.305 -8.874 -4.881 1.00 0.55 C ATOM 349 CD GLU A 23 22.605 -9.155 -3.384 1.00 0.86 C ATOM 350 OE1 GLU A 23 23.374 -8.407 -2.808 1.00 1.89 O ATOM 351 OE2 GLU A 23 22.065 -10.108 -2.845 1.00 0.53 O ATOM 0 H GLU A 23 23.608 -7.625 -6.915 1.00 0.60 H new ATOM 0 HA GLU A 23 20.662 -7.792 -6.868 1.00 0.63 H new ATOM 0 HB2 GLU A 23 22.652 -6.705 -4.797 1.00 0.57 H new ATOM 0 HB3 GLU A 23 20.984 -7.158 -4.506 1.00 0.57 H new ATOM 0 HG2 GLU A 23 21.521 -9.547 -5.228 1.00 0.55 H new ATOM 0 HG3 GLU A 23 23.193 -9.086 -5.477 1.00 0.55 H new ATOM 358 N MET A 24 22.264 -4.895 -6.979 1.00 0.78 N ATOM 359 CA MET A 24 22.126 -3.444 -7.302 1.00 0.84 C ATOM 360 C MET A 24 21.374 -3.362 -8.619 1.00 1.00 C ATOM 361 O MET A 24 20.459 -2.599 -8.805 1.00 1.17 O ATOM 362 CB MET A 24 23.549 -2.870 -7.375 1.00 0.82 C ATOM 363 CG MET A 24 24.066 -2.537 -5.973 1.00 0.98 C ATOM 364 SD MET A 24 25.439 -1.362 -5.872 1.00 1.08 S ATOM 365 CE MET A 24 24.711 0.059 -6.728 1.00 0.87 C ATOM 0 H MET A 24 23.212 -5.186 -6.740 1.00 0.78 H new ATOM 0 HA MET A 24 21.571 -2.867 -6.562 1.00 0.84 H new ATOM 0 HB2 MET A 24 24.214 -3.590 -7.853 1.00 0.82 H new ATOM 0 HB3 MET A 24 23.554 -1.972 -7.993 1.00 0.82 H new ATOM 0 HG2 MET A 24 23.235 -2.141 -5.389 1.00 0.98 H new ATOM 0 HG3 MET A 24 24.377 -3.466 -5.495 1.00 0.98 H new ATOM 0 HE1 MET A 24 25.208 0.973 -6.403 1.00 0.87 H new ATOM 0 HE2 MET A 24 24.838 -0.060 -7.804 1.00 0.87 H new ATOM 0 HE3 MET A 24 23.648 0.120 -6.493 1.00 0.87 H new ATOM 375 N LEU A 25 21.852 -4.183 -9.495 1.00 0.93 N ATOM 376 CA LEU A 25 21.350 -4.369 -10.850 1.00 1.00 C ATOM 377 C LEU A 25 19.878 -4.735 -10.892 1.00 0.79 C ATOM 378 O LEU A 25 19.075 -3.976 -11.391 1.00 0.80 O ATOM 379 CB LEU A 25 22.220 -5.456 -11.460 1.00 1.12 C ATOM 380 CG LEU A 25 23.451 -4.822 -11.920 1.00 1.51 C ATOM 381 CD1 LEU A 25 24.464 -5.861 -12.271 1.00 1.35 C ATOM 382 CD2 LEU A 25 23.044 -3.969 -13.135 1.00 2.11 C ATOM 0 H LEU A 25 22.650 -4.785 -9.289 1.00 0.93 H new ATOM 0 HA LEU A 25 21.410 -3.438 -11.413 1.00 1.00 H new ATOM 0 HB2 LEU A 25 22.439 -6.230 -10.725 1.00 1.12 H new ATOM 0 HB3 LEU A 25 21.704 -5.940 -12.289 1.00 1.12 H new ATOM 0 HG LEU A 25 23.915 -4.200 -11.154 1.00 1.51 H new ATOM 0 HD11 LEU A 25 25.379 -5.377 -12.613 1.00 1.35 H new ATOM 0 HD12 LEU A 25 24.682 -6.468 -11.392 1.00 1.35 H new ATOM 0 HD13 LEU A 25 24.072 -6.498 -13.064 1.00 1.35 H new ATOM 0 HD21 LEU A 25 23.922 -3.462 -13.534 1.00 2.11 H new ATOM 0 HD22 LEU A 25 22.616 -4.612 -13.904 1.00 2.11 H new ATOM 0 HD23 LEU A 25 22.305 -3.228 -12.829 1.00 2.11 H new ATOM 394 N PHE A 26 19.580 -5.902 -10.371 1.00 0.63 N ATOM 395 CA PHE A 26 18.165 -6.392 -10.336 1.00 0.47 C ATOM 396 C PHE A 26 17.304 -5.228 -9.869 1.00 0.30 C ATOM 397 O PHE A 26 16.323 -4.820 -10.472 1.00 0.21 O ATOM 398 CB PHE A 26 18.031 -7.543 -9.339 1.00 0.49 C ATOM 399 CG PHE A 26 16.539 -7.925 -9.278 1.00 0.46 C ATOM 400 CD1 PHE A 26 15.635 -7.165 -8.541 1.00 1.32 C ATOM 401 CD2 PHE A 26 16.074 -9.027 -9.973 1.00 1.46 C ATOM 402 CE1 PHE A 26 14.301 -7.518 -8.515 1.00 1.21 C ATOM 403 CE2 PHE A 26 14.735 -9.371 -9.940 1.00 1.56 C ATOM 404 CZ PHE A 26 13.848 -8.613 -9.208 1.00 0.49 C ATOM 0 H PHE A 26 20.263 -6.541 -9.965 1.00 0.63 H new ATOM 0 HA PHE A 26 17.859 -6.749 -11.320 1.00 0.47 H new ATOM 0 HB2 PHE A 26 18.633 -8.395 -9.653 1.00 0.49 H new ATOM 0 HB3 PHE A 26 18.391 -7.243 -8.355 1.00 0.49 H new ATOM 0 HD1 PHE A 26 15.977 -6.301 -7.991 1.00 1.32 H new ATOM 0 HD2 PHE A 26 16.765 -9.626 -10.548 1.00 1.46 H new ATOM 0 HE1 PHE A 26 13.604 -6.925 -7.942 1.00 1.21 H new ATOM 0 HE2 PHE A 26 14.385 -10.233 -10.488 1.00 1.56 H new ATOM 0 HZ PHE A 26 12.802 -8.879 -9.179 1.00 0.49 H new ATOM 414 N ILE A 27 17.745 -4.734 -8.748 1.00 0.29 N ATOM 415 CA ILE A 27 17.065 -3.594 -8.110 1.00 0.19 C ATOM 416 C ILE A 27 16.943 -2.498 -9.180 1.00 0.18 C ATOM 417 O ILE A 27 15.848 -2.082 -9.463 1.00 0.17 O ATOM 418 CB ILE A 27 17.939 -3.279 -6.915 1.00 0.19 C ATOM 419 CG1 ILE A 27 17.824 -4.506 -5.908 1.00 0.15 C ATOM 420 CG2 ILE A 27 17.380 -2.007 -6.314 1.00 0.18 C ATOM 421 CD1 ILE A 27 16.748 -4.292 -4.897 1.00 0.09 C ATOM 0 H ILE A 27 18.561 -5.083 -8.245 1.00 0.29 H new ATOM 0 HA ILE A 27 16.048 -3.750 -7.750 1.00 0.19 H new ATOM 0 HB ILE A 27 18.991 -3.136 -7.163 1.00 0.19 H new ATOM 0 HG12 ILE A 27 17.620 -5.419 -6.468 1.00 0.15 H new ATOM 0 HG13 ILE A 27 18.777 -4.650 -5.400 1.00 0.15 H new ATOM 0 HG21 ILE A 27 17.971 -1.726 -5.443 1.00 0.18 H new ATOM 0 HG22 ILE A 27 17.420 -1.207 -7.053 1.00 0.18 H new ATOM 0 HG23 ILE A 27 16.345 -2.171 -6.013 1.00 0.18 H new ATOM 0 HD11 ILE A 27 16.701 -5.151 -4.228 1.00 0.09 H new ATOM 0 HD12 ILE A 27 16.965 -3.394 -4.319 1.00 0.09 H new ATOM 0 HD13 ILE A 27 15.790 -4.174 -5.404 1.00 0.09 H new ATOM 433 N TYR A 28 18.011 -2.028 -9.758 1.00 0.21 N ATOM 434 CA TYR A 28 17.880 -0.975 -10.821 1.00 0.20 C ATOM 435 C TYR A 28 16.850 -1.400 -11.904 1.00 0.16 C ATOM 436 O TYR A 28 15.899 -0.672 -12.106 1.00 0.16 O ATOM 437 CB TYR A 28 19.252 -0.768 -11.433 1.00 0.33 C ATOM 438 CG TYR A 28 19.232 0.306 -12.533 1.00 0.34 C ATOM 439 CD1 TYR A 28 18.754 0.065 -13.817 1.00 0.24 C ATOM 440 CD2 TYR A 28 19.741 1.548 -12.250 1.00 0.83 C ATOM 441 CE1 TYR A 28 18.803 1.061 -14.784 1.00 0.23 C ATOM 442 CE2 TYR A 28 19.780 2.522 -13.214 1.00 0.88 C ATOM 443 CZ TYR A 28 19.327 2.305 -14.482 1.00 0.44 C ATOM 444 OH TYR A 28 19.426 3.322 -15.412 1.00 0.56 O ATOM 0 H TYR A 28 18.966 -2.320 -9.548 1.00 0.21 H new ATOM 0 HA TYR A 28 17.515 -0.045 -10.385 1.00 0.20 H new ATOM 0 HB2 TYR A 28 19.957 -0.477 -10.654 1.00 0.33 H new ATOM 0 HB3 TYR A 28 19.609 -1.709 -11.851 1.00 0.33 H new ATOM 0 HD1 TYR A 28 18.342 -0.903 -14.064 1.00 0.24 H new ATOM 0 HD2 TYR A 28 20.114 1.760 -11.259 1.00 0.83 H new ATOM 0 HE1 TYR A 28 18.430 0.863 -15.778 1.00 0.23 H new ATOM 0 HE2 TYR A 28 20.182 3.492 -12.961 1.00 0.88 H new ATOM 0 HH TYR A 28 18.705 3.235 -16.070 1.00 0.56 H new ATOM 454 N SER A 29 17.048 -2.524 -12.550 1.00 0.21 N ATOM 455 CA SER A 29 16.071 -2.967 -13.606 1.00 0.27 C ATOM 456 C SER A 29 14.622 -2.780 -13.120 1.00 0.25 C ATOM 457 O SER A 29 13.850 -2.066 -13.737 1.00 0.29 O ATOM 458 CB SER A 29 16.387 -4.470 -13.992 1.00 0.35 C ATOM 459 OG SER A 29 17.184 -5.067 -12.972 1.00 0.97 O ATOM 0 H SER A 29 17.836 -3.153 -12.397 1.00 0.21 H new ATOM 0 HA SER A 29 16.178 -2.351 -14.499 1.00 0.27 H new ATOM 0 HB2 SER A 29 15.459 -5.028 -14.115 1.00 0.35 H new ATOM 0 HB3 SER A 29 16.911 -4.509 -14.947 1.00 0.35 H new ATOM 0 HG SER A 29 16.655 -5.152 -12.151 1.00 0.97 H new ATOM 465 N HIS A 30 14.288 -3.399 -12.024 1.00 0.22 N ATOM 466 CA HIS A 30 12.918 -3.286 -11.453 1.00 0.20 C ATOM 467 C HIS A 30 12.593 -1.848 -10.977 1.00 0.16 C ATOM 468 O HIS A 30 11.565 -1.308 -11.319 1.00 0.16 O ATOM 469 CB HIS A 30 12.932 -4.341 -10.374 1.00 0.17 C ATOM 470 CG HIS A 30 12.812 -5.642 -11.158 1.00 0.26 C ATOM 471 ND1 HIS A 30 11.716 -6.048 -11.699 1.00 0.68 N ATOM 472 CD2 HIS A 30 13.744 -6.605 -11.486 1.00 1.06 C ATOM 473 CE1 HIS A 30 11.928 -7.168 -12.318 1.00 0.48 C ATOM 474 NE2 HIS A 30 13.177 -7.549 -12.210 1.00 0.80 N ATOM 0 H HIS A 30 14.922 -3.992 -11.488 1.00 0.22 H new ATOM 0 HA HIS A 30 12.113 -3.457 -12.167 1.00 0.20 H new ATOM 0 HB2 HIS A 30 13.851 -4.307 -9.789 1.00 0.17 H new ATOM 0 HB3 HIS A 30 12.105 -4.214 -9.676 1.00 0.17 H new ATOM 0 HD2 HIS A 30 14.783 -6.588 -11.193 1.00 1.06 H new ATOM 0 HE1 HIS A 30 11.170 -7.718 -12.855 1.00 0.48 H new ATOM 0 HE2 HIS A 30 13.612 -8.386 -12.598 1.00 0.80 H new ATOM 482 N TYR A 31 13.435 -1.234 -10.213 1.00 0.13 N ATOM 483 CA TYR A 31 13.203 0.157 -9.726 1.00 0.07 C ATOM 484 C TYR A 31 12.772 1.066 -10.908 1.00 0.03 C ATOM 485 O TYR A 31 11.732 1.687 -10.916 1.00 0.08 O ATOM 486 CB TYR A 31 14.499 0.625 -9.172 1.00 0.09 C ATOM 487 CG TYR A 31 14.387 2.045 -8.685 1.00 0.06 C ATOM 488 CD1 TYR A 31 13.559 2.482 -7.666 1.00 1.06 C ATOM 489 CD2 TYR A 31 15.165 2.926 -9.360 1.00 1.08 C ATOM 490 CE1 TYR A 31 13.529 3.827 -7.354 1.00 1.07 C ATOM 491 CE2 TYR A 31 15.133 4.246 -9.048 1.00 1.08 C ATOM 492 CZ TYR A 31 14.321 4.714 -8.054 1.00 0.11 C ATOM 493 OH TYR A 31 14.311 6.062 -7.793 1.00 0.12 O ATOM 0 H TYR A 31 14.309 -1.648 -9.890 1.00 0.13 H new ATOM 0 HA TYR A 31 12.414 0.190 -8.975 1.00 0.07 H new ATOM 0 HB2 TYR A 31 14.805 -0.023 -8.351 1.00 0.09 H new ATOM 0 HB3 TYR A 31 15.273 0.557 -9.937 1.00 0.09 H new ATOM 0 HD1 TYR A 31 12.944 1.780 -7.122 1.00 1.06 H new ATOM 0 HD2 TYR A 31 15.813 2.576 -10.150 1.00 1.08 H new ATOM 0 HE1 TYR A 31 12.886 4.184 -6.563 1.00 1.07 H new ATOM 0 HE2 TYR A 31 15.759 4.937 -9.593 1.00 1.08 H new ATOM 0 HH TYR A 31 14.939 6.516 -8.393 1.00 0.12 H new ATOM 503 N LYS A 32 13.643 1.072 -11.881 1.00 0.04 N ATOM 504 CA LYS A 32 13.495 1.860 -13.136 1.00 0.05 C ATOM 505 C LYS A 32 12.151 1.478 -13.778 1.00 0.11 C ATOM 506 O LYS A 32 11.381 2.351 -14.123 1.00 0.17 O ATOM 507 CB LYS A 32 14.756 1.496 -13.885 1.00 0.04 C ATOM 508 CG LYS A 32 15.983 1.977 -13.001 1.00 0.13 C ATOM 509 CD LYS A 32 16.167 3.521 -12.924 1.00 0.15 C ATOM 510 CE LYS A 32 16.501 4.010 -14.311 1.00 0.42 C ATOM 511 NZ LYS A 32 17.547 5.079 -14.240 1.00 0.22 N ATOM 0 H LYS A 32 14.504 0.526 -11.850 1.00 0.04 H new ATOM 0 HA LYS A 32 13.431 2.946 -13.061 1.00 0.05 H new ATOM 0 HB2 LYS A 32 14.804 0.421 -14.057 1.00 0.04 H new ATOM 0 HB3 LYS A 32 14.775 1.977 -14.863 1.00 0.04 H new ATOM 0 HG2 LYS A 32 15.858 1.589 -11.990 1.00 0.13 H new ATOM 0 HG3 LYS A 32 16.896 1.536 -13.401 1.00 0.13 H new ATOM 0 HD2 LYS A 32 15.257 3.997 -12.559 1.00 0.15 H new ATOM 0 HD3 LYS A 32 16.963 3.777 -12.225 1.00 0.15 H new ATOM 0 HE2 LYS A 32 16.858 3.181 -14.922 1.00 0.42 H new ATOM 0 HE3 LYS A 32 15.604 4.399 -14.794 1.00 0.42 H new ATOM 0 HZ1 LYS A 32 17.240 5.902 -14.797 1.00 0.22 H new ATOM 0 HZ2 LYS A 32 17.686 5.363 -13.249 1.00 0.22 H new ATOM 0 HZ3 LYS A 32 18.442 4.715 -14.625 1.00 0.22 H new ATOM 525 N GLN A 33 11.917 0.207 -13.948 1.00 0.16 N ATOM 526 CA GLN A 33 10.593 -0.192 -14.542 1.00 0.30 C ATOM 527 C GLN A 33 9.410 0.276 -13.670 1.00 0.36 C ATOM 528 O GLN A 33 8.350 0.608 -14.166 1.00 0.69 O ATOM 529 CB GLN A 33 10.531 -1.696 -14.689 1.00 0.40 C ATOM 530 CG GLN A 33 10.154 -2.086 -16.133 1.00 0.26 C ATOM 531 CD GLN A 33 8.813 -1.459 -16.555 1.00 0.35 C ATOM 532 OE1 GLN A 33 8.751 -0.831 -17.584 1.00 1.35 O ATOM 533 NE2 GLN A 33 7.717 -1.570 -15.867 1.00 0.92 N ATOM 0 H GLN A 33 12.554 -0.555 -13.714 1.00 0.16 H new ATOM 0 HA GLN A 33 10.512 0.289 -15.517 1.00 0.30 H new ATOM 0 HB2 GLN A 33 11.495 -2.132 -14.429 1.00 0.40 H new ATOM 0 HB3 GLN A 33 9.798 -2.105 -13.993 1.00 0.40 H new ATOM 0 HG2 GLN A 33 10.939 -1.761 -16.815 1.00 0.26 H new ATOM 0 HG3 GLN A 33 10.091 -3.171 -16.213 1.00 0.26 H new ATOM 0 HE21 GLN A 33 7.716 -2.091 -14.990 1.00 0.92 H new ATOM 0 HE22 GLN A 33 6.857 -1.137 -16.204 1.00 0.92 H new ATOM 542 N ALA A 34 9.610 0.278 -12.380 1.00 0.26 N ATOM 543 CA ALA A 34 8.538 0.712 -11.429 1.00 0.26 C ATOM 544 C ALA A 34 8.291 2.220 -11.372 1.00 0.31 C ATOM 545 O ALA A 34 7.168 2.667 -11.283 1.00 0.46 O ATOM 546 CB ALA A 34 8.905 0.209 -10.044 1.00 0.27 C ATOM 0 H ALA A 34 10.483 -0.006 -11.935 1.00 0.26 H new ATOM 0 HA ALA A 34 7.605 0.284 -11.797 1.00 0.26 H new ATOM 0 HB1 ALA A 34 8.138 0.513 -9.332 1.00 0.27 H new ATOM 0 HB2 ALA A 34 8.976 -0.879 -10.059 1.00 0.27 H new ATOM 0 HB3 ALA A 34 9.865 0.631 -9.746 1.00 0.27 H new ATOM 552 N THR A 35 9.366 2.945 -11.420 1.00 0.20 N ATOM 553 CA THR A 35 9.357 4.452 -11.378 1.00 0.23 C ATOM 554 C THR A 35 9.414 5.112 -12.746 1.00 0.28 C ATOM 555 O THR A 35 8.618 5.991 -13.018 1.00 0.33 O ATOM 556 CB THR A 35 10.564 4.963 -10.567 1.00 0.33 C ATOM 557 OG1 THR A 35 11.692 4.358 -11.180 1.00 0.43 O ATOM 558 CG2 THR A 35 10.577 4.363 -9.221 1.00 0.36 C ATOM 0 H THR A 35 10.302 2.546 -11.490 1.00 0.20 H new ATOM 0 HA THR A 35 8.407 4.721 -10.916 1.00 0.23 H new ATOM 0 HB THR A 35 10.545 6.052 -10.525 1.00 0.33 H new ATOM 0 HG1 THR A 35 11.843 3.473 -10.786 1.00 0.43 H new ATOM 0 HG21 THR A 35 11.437 4.736 -8.664 1.00 0.36 H new ATOM 0 HG22 THR A 35 9.660 4.630 -8.695 1.00 0.36 H new ATOM 0 HG23 THR A 35 10.644 3.278 -9.307 1.00 0.36 H new ATOM 566 N VAL A 36 10.321 4.692 -13.583 1.00 0.29 N ATOM 567 CA VAL A 36 10.419 5.317 -14.949 1.00 0.36 C ATOM 568 C VAL A 36 9.371 4.737 -15.894 1.00 0.38 C ATOM 569 O VAL A 36 8.528 5.425 -16.436 1.00 0.46 O ATOM 570 CB VAL A 36 11.836 5.067 -15.585 1.00 0.34 C ATOM 571 CG1 VAL A 36 11.953 5.851 -16.913 1.00 0.35 C ATOM 572 CG2 VAL A 36 12.970 5.453 -14.688 1.00 0.33 C ATOM 0 H VAL A 36 10.996 3.952 -13.391 1.00 0.29 H new ATOM 0 HA VAL A 36 10.252 6.386 -14.819 1.00 0.36 H new ATOM 0 HB VAL A 36 11.914 3.993 -15.754 1.00 0.34 H new ATOM 0 HG11 VAL A 36 12.935 5.677 -17.353 1.00 0.35 H new ATOM 0 HG12 VAL A 36 11.181 5.513 -17.604 1.00 0.35 H new ATOM 0 HG13 VAL A 36 11.826 6.916 -16.719 1.00 0.35 H new ATOM 0 HG21 VAL A 36 13.916 5.253 -15.191 1.00 0.33 H new ATOM 0 HG22 VAL A 36 12.902 6.515 -14.452 1.00 0.33 H new ATOM 0 HG23 VAL A 36 12.919 4.872 -13.767 1.00 0.33 H new ATOM 582 N GLY A 37 9.482 3.455 -16.021 1.00 0.43 N ATOM 583 CA GLY A 37 8.616 2.585 -16.886 1.00 0.49 C ATOM 584 C GLY A 37 9.584 2.013 -17.909 1.00 0.51 C ATOM 585 O GLY A 37 10.464 1.260 -17.552 1.00 0.69 O ATOM 0 H GLY A 37 10.195 2.923 -15.522 1.00 0.43 H new ATOM 0 HA2 GLY A 37 8.135 1.797 -16.306 1.00 0.49 H new ATOM 0 HA3 GLY A 37 7.822 3.159 -17.364 1.00 0.49 H new ATOM 589 N ASP A 38 9.400 2.403 -19.140 1.00 0.43 N ATOM 590 CA ASP A 38 10.266 1.939 -20.263 1.00 0.51 C ATOM 591 C ASP A 38 11.626 2.673 -20.188 1.00 0.49 C ATOM 592 O ASP A 38 11.773 3.629 -19.447 1.00 0.71 O ATOM 593 CB ASP A 38 9.513 2.277 -21.559 1.00 0.55 C ATOM 594 CG ASP A 38 8.092 1.752 -21.456 1.00 0.98 C ATOM 595 OD1 ASP A 38 7.932 0.550 -21.583 1.00 1.22 O ATOM 596 OD2 ASP A 38 7.263 2.613 -21.262 1.00 1.95 O ATOM 0 H ASP A 38 8.660 3.046 -19.423 1.00 0.43 H new ATOM 0 HA ASP A 38 10.470 0.869 -20.218 1.00 0.51 H new ATOM 0 HB2 ASP A 38 9.505 3.355 -21.720 1.00 0.55 H new ATOM 0 HB3 ASP A 38 10.018 1.831 -22.415 1.00 0.55 H new ATOM 601 N ILE A 39 12.571 2.221 -20.961 1.00 0.32 N ATOM 602 CA ILE A 39 13.905 2.879 -20.938 1.00 0.36 C ATOM 603 C ILE A 39 14.054 3.735 -22.232 1.00 0.44 C ATOM 604 O ILE A 39 13.900 3.322 -23.366 1.00 0.46 O ATOM 605 CB ILE A 39 14.908 1.711 -20.771 1.00 0.33 C ATOM 606 CG1 ILE A 39 16.358 2.202 -20.613 1.00 0.38 C ATOM 607 CG2 ILE A 39 14.747 0.697 -21.876 1.00 0.37 C ATOM 608 CD1 ILE A 39 17.290 1.023 -20.231 1.00 0.29 C ATOM 0 H ILE A 39 12.480 1.433 -21.602 1.00 0.32 H new ATOM 0 HA ILE A 39 14.073 3.589 -20.128 1.00 0.36 H new ATOM 0 HB ILE A 39 14.670 1.203 -19.836 1.00 0.33 H new ATOM 0 HG12 ILE A 39 16.698 2.656 -21.544 1.00 0.38 H new ATOM 0 HG13 ILE A 39 16.405 2.975 -19.846 1.00 0.38 H new ATOM 0 HG21 ILE A 39 15.463 -0.112 -21.734 1.00 0.37 H new ATOM 0 HG22 ILE A 39 13.735 0.293 -21.855 1.00 0.37 H new ATOM 0 HG23 ILE A 39 14.926 1.176 -22.838 1.00 0.37 H new ATOM 0 HD11 ILE A 39 18.312 1.387 -20.123 1.00 0.29 H new ATOM 0 HD12 ILE A 39 16.958 0.588 -19.288 1.00 0.29 H new ATOM 0 HD13 ILE A 39 17.256 0.264 -21.013 1.00 0.29 H new ATOM 620 N ASN A 40 14.356 4.967 -21.948 1.00 0.51 N ATOM 621 CA ASN A 40 14.566 6.092 -22.937 1.00 0.62 C ATOM 622 C ASN A 40 15.955 6.742 -22.719 1.00 0.62 C ATOM 623 O ASN A 40 16.151 7.944 -22.752 1.00 0.68 O ATOM 624 CB ASN A 40 13.373 7.049 -22.671 1.00 0.67 C ATOM 625 CG ASN A 40 13.171 7.166 -21.149 1.00 0.64 C ATOM 626 OD1 ASN A 40 13.968 7.694 -20.405 1.00 0.62 O ATOM 627 ND2 ASN A 40 12.107 6.664 -20.609 1.00 0.83 N ATOM 0 H ASN A 40 14.479 5.276 -20.984 1.00 0.51 H new ATOM 0 HA ASN A 40 14.577 5.776 -23.980 1.00 0.62 H new ATOM 0 HB2 ASN A 40 13.570 8.030 -23.103 1.00 0.67 H new ATOM 0 HB3 ASN A 40 12.469 6.668 -23.145 1.00 0.67 H new ATOM 0 HD21 ASN A 40 11.970 6.724 -19.600 1.00 0.83 H new ATOM 0 HD22 ASN A 40 11.405 6.209 -21.193 1.00 0.83 H new ATOM 634 N THR A 41 16.865 5.835 -22.515 1.00 0.64 N ATOM 635 CA THR A 41 18.323 6.104 -22.248 1.00 0.71 C ATOM 636 C THR A 41 19.326 5.383 -23.193 1.00 0.84 C ATOM 637 O THR A 41 18.934 4.580 -24.018 1.00 0.86 O ATOM 638 CB THR A 41 18.590 5.646 -20.838 1.00 0.69 C ATOM 639 OG1 THR A 41 18.284 4.269 -21.034 1.00 0.92 O ATOM 640 CG2 THR A 41 17.480 6.037 -19.825 1.00 0.42 C ATOM 0 H THR A 41 16.646 4.839 -22.522 1.00 0.64 H new ATOM 0 HA THR A 41 18.487 7.168 -22.418 1.00 0.71 H new ATOM 0 HB THR A 41 19.552 6.003 -20.472 1.00 0.69 H new ATOM 0 HG1 THR A 41 18.541 3.760 -20.237 1.00 0.92 H new ATOM 0 HG21 THR A 41 17.747 5.671 -18.834 1.00 0.42 H new ATOM 0 HG22 THR A 41 17.379 7.122 -19.796 1.00 0.42 H new ATOM 0 HG23 THR A 41 16.533 5.593 -20.133 1.00 0.42 H new ATOM 798 N GLY A 51 27.006 -1.030 -16.093 1.00 1.63 N ATOM 799 CA GLY A 51 26.385 0.232 -16.578 1.00 1.11 C ATOM 800 C GLY A 51 25.224 -0.207 -17.494 1.00 0.64 C ATOM 801 O GLY A 51 24.151 0.375 -17.547 1.00 0.23 O ATOM 0 HA2 GLY A 51 26.022 0.836 -15.746 1.00 1.11 H new ATOM 0 HA3 GLY A 51 27.107 0.841 -17.123 1.00 1.11 H new ATOM 805 N LYS A 52 25.547 -1.290 -18.192 1.00 0.86 N ATOM 806 CA LYS A 52 24.621 -1.944 -19.147 1.00 0.77 C ATOM 807 C LYS A 52 23.835 -2.871 -18.292 1.00 0.75 C ATOM 808 O LYS A 52 22.646 -2.709 -18.309 1.00 0.66 O ATOM 809 CB LYS A 52 25.504 -2.586 -20.194 1.00 0.83 C ATOM 810 CG LYS A 52 25.225 -3.931 -20.564 1.00 2.64 C ATOM 811 CD LYS A 52 26.418 -4.805 -19.991 1.00 3.42 C ATOM 812 CE LYS A 52 27.549 -5.153 -21.108 1.00 3.11 C ATOM 813 NZ LYS A 52 28.780 -4.267 -21.095 1.00 2.25 N ATOM 0 H LYS A 52 26.455 -1.749 -18.121 1.00 0.86 H new ATOM 0 HA LYS A 52 23.918 -1.316 -19.693 1.00 0.77 H new ATOM 0 HB2 LYS A 52 25.455 -1.974 -21.095 1.00 0.83 H new ATOM 0 HB3 LYS A 52 26.533 -2.544 -19.836 1.00 0.83 H new ATOM 0 HG2 LYS A 52 24.270 -4.258 -20.152 1.00 2.64 H new ATOM 0 HG3 LYS A 52 25.155 -4.030 -21.647 1.00 2.64 H new ATOM 0 HD2 LYS A 52 26.886 -4.272 -19.163 1.00 3.42 H new ATOM 0 HD3 LYS A 52 26.018 -5.735 -19.586 1.00 3.42 H new ATOM 0 HE2 LYS A 52 27.866 -6.186 -20.968 1.00 3.11 H new ATOM 0 HE3 LYS A 52 27.090 -5.092 -22.095 1.00 3.11 H new ATOM 0 HZ1 LYS A 52 29.435 -4.572 -21.843 1.00 2.25 H new ATOM 0 HZ2 LYS A 52 28.499 -3.280 -21.263 1.00 2.25 H new ATOM 0 HZ3 LYS A 52 29.251 -4.341 -20.171 1.00 2.25 H new ATOM 827 N ALA A 53 24.474 -3.761 -17.591 1.00 0.85 N ATOM 828 CA ALA A 53 23.701 -4.721 -16.707 1.00 0.90 C ATOM 829 C ALA A 53 22.265 -4.197 -16.382 1.00 0.87 C ATOM 830 O ALA A 53 21.246 -4.741 -16.757 1.00 0.85 O ATOM 831 CB ALA A 53 24.582 -4.939 -15.432 1.00 0.96 C ATOM 0 H ALA A 53 25.487 -3.878 -17.580 1.00 0.85 H new ATOM 0 HA ALA A 53 23.525 -5.671 -17.211 1.00 0.90 H new ATOM 0 HB1 ALA A 53 24.076 -5.625 -14.753 1.00 0.96 H new ATOM 0 HB2 ALA A 53 25.545 -5.360 -15.722 1.00 0.96 H new ATOM 0 HB3 ALA A 53 24.740 -3.984 -14.931 1.00 0.96 H new ATOM 837 N LYS A 54 22.295 -3.101 -15.692 1.00 0.85 N ATOM 838 CA LYS A 54 21.071 -2.351 -15.249 1.00 0.71 C ATOM 839 C LYS A 54 20.246 -1.849 -16.469 1.00 0.44 C ATOM 840 O LYS A 54 19.046 -2.005 -16.540 1.00 0.38 O ATOM 841 CB LYS A 54 21.587 -1.201 -14.428 1.00 0.83 C ATOM 842 CG LYS A 54 22.681 -0.513 -15.270 1.00 0.86 C ATOM 843 CD LYS A 54 23.695 0.018 -14.378 1.00 0.81 C ATOM 844 CE LYS A 54 23.188 1.250 -13.611 1.00 0.48 C ATOM 845 NZ LYS A 54 22.809 2.221 -14.673 1.00 0.90 N ATOM 0 H LYS A 54 23.166 -2.661 -15.395 1.00 0.85 H new ATOM 0 HA LYS A 54 20.395 -2.984 -14.675 1.00 0.71 H new ATOM 0 HB2 LYS A 54 20.784 -0.503 -14.192 1.00 0.83 H new ATOM 0 HB3 LYS A 54 21.993 -1.553 -13.480 1.00 0.83 H new ATOM 0 HG2 LYS A 54 23.126 -1.225 -15.965 1.00 0.86 H new ATOM 0 HG3 LYS A 54 22.248 0.289 -15.868 1.00 0.86 H new ATOM 0 HD2 LYS A 54 23.996 -0.753 -13.669 1.00 0.81 H new ATOM 0 HD3 LYS A 54 24.581 0.286 -14.953 1.00 0.81 H new ATOM 0 HE2 LYS A 54 22.336 1.001 -12.979 1.00 0.48 H new ATOM 0 HE3 LYS A 54 23.961 1.657 -12.959 1.00 0.48 H new ATOM 0 HZ1 LYS A 54 23.129 3.173 -14.403 1.00 0.90 H new ATOM 0 HZ2 LYS A 54 23.257 1.947 -15.570 1.00 0.90 H new ATOM 0 HZ3 LYS A 54 21.775 2.223 -14.789 1.00 0.90 H new ATOM 859 N TRP A 55 20.943 -1.240 -17.397 1.00 0.41 N ATOM 860 CA TRP A 55 20.366 -0.678 -18.654 1.00 0.14 C ATOM 861 C TRP A 55 19.634 -1.826 -19.330 1.00 0.31 C ATOM 862 O TRP A 55 18.437 -1.859 -19.447 1.00 0.39 O ATOM 863 CB TRP A 55 21.510 -0.180 -19.591 1.00 0.15 C ATOM 864 CG TRP A 55 20.854 0.696 -20.631 1.00 0.13 C ATOM 865 CD1 TRP A 55 20.555 1.978 -20.380 1.00 0.11 C ATOM 866 CD2 TRP A 55 20.442 0.355 -21.873 1.00 0.18 C ATOM 867 NE1 TRP A 55 19.962 2.347 -21.496 1.00 0.12 N ATOM 868 CE2 TRP A 55 19.849 1.451 -22.447 1.00 0.18 C ATOM 869 CE3 TRP A 55 20.523 -0.810 -22.602 1.00 0.23 C ATOM 870 CZ2 TRP A 55 19.340 1.407 -23.719 1.00 0.23 C ATOM 871 CZ3 TRP A 55 20.016 -0.862 -23.881 1.00 0.28 C ATOM 872 CH2 TRP A 55 19.422 0.244 -24.443 1.00 0.29 C ATOM 0 H TRP A 55 21.951 -1.104 -17.324 1.00 0.41 H new ATOM 0 HA TRP A 55 19.705 0.163 -18.444 1.00 0.14 H new ATOM 0 HB2 TRP A 55 22.258 0.378 -19.028 1.00 0.15 H new ATOM 0 HB3 TRP A 55 22.024 -1.020 -20.058 1.00 0.15 H new ATOM 0 HD1 TRP A 55 20.750 2.559 -19.491 1.00 0.11 H new ATOM 0 HE1 TRP A 55 19.604 3.294 -21.617 1.00 0.12 H new ATOM 0 HE3 TRP A 55 20.985 -1.685 -22.170 1.00 0.23 H new ATOM 0 HZ2 TRP A 55 18.877 2.283 -24.149 1.00 0.23 H new ATOM 0 HZ3 TRP A 55 20.085 -1.779 -24.448 1.00 0.28 H new ATOM 0 HH2 TRP A 55 19.023 0.198 -25.446 1.00 0.29 H new ATOM 883 N ASP A 56 20.458 -2.732 -19.735 1.00 0.43 N ATOM 884 CA ASP A 56 20.106 -3.985 -20.432 1.00 0.64 C ATOM 885 C ASP A 56 18.937 -4.689 -19.722 1.00 0.70 C ATOM 886 O ASP A 56 17.881 -4.846 -20.305 1.00 0.80 O ATOM 887 CB ASP A 56 21.541 -4.652 -20.481 1.00 0.76 C ATOM 888 CG ASP A 56 21.937 -4.624 -21.905 1.00 1.01 C ATOM 889 OD1 ASP A 56 21.449 -5.446 -22.644 1.00 1.62 O ATOM 890 OD2 ASP A 56 22.709 -3.755 -22.242 1.00 1.24 O ATOM 0 H ASP A 56 21.464 -2.640 -19.594 1.00 0.43 H new ATOM 0 HA ASP A 56 19.679 -3.951 -21.434 1.00 0.64 H new ATOM 0 HB2 ASP A 56 22.252 -4.102 -19.864 1.00 0.76 H new ATOM 0 HB3 ASP A 56 21.513 -5.673 -20.101 1.00 0.76 H new ATOM 895 N ALA A 57 19.139 -5.079 -18.494 1.00 0.72 N ATOM 896 CA ALA A 57 18.089 -5.758 -17.697 1.00 0.85 C ATOM 897 C ALA A 57 16.828 -4.863 -17.663 1.00 0.65 C ATOM 898 O ALA A 57 15.728 -5.313 -17.881 1.00 0.83 O ATOM 899 CB ALA A 57 18.691 -6.002 -16.299 1.00 0.98 C ATOM 0 H ALA A 57 20.020 -4.948 -17.997 1.00 0.72 H new ATOM 0 HA ALA A 57 17.781 -6.713 -18.123 1.00 0.85 H new ATOM 0 HB1 ALA A 57 17.956 -6.502 -15.669 1.00 0.98 H new ATOM 0 HB2 ALA A 57 19.578 -6.629 -16.389 1.00 0.98 H new ATOM 0 HB3 ALA A 57 18.965 -5.048 -15.849 1.00 0.98 H new ATOM 905 N TRP A 58 16.957 -3.589 -17.398 1.00 0.36 N ATOM 906 CA TRP A 58 15.703 -2.753 -17.377 1.00 0.27 C ATOM 907 C TRP A 58 15.072 -2.810 -18.797 1.00 0.30 C ATOM 908 O TRP A 58 13.910 -3.088 -19.002 1.00 0.32 O ATOM 909 CB TRP A 58 16.099 -1.332 -16.988 1.00 0.18 C ATOM 910 CG TRP A 58 14.885 -0.409 -17.053 1.00 0.18 C ATOM 911 CD1 TRP A 58 13.559 -0.770 -16.997 1.00 0.26 C ATOM 912 CD2 TRP A 58 14.999 0.925 -17.194 1.00 0.18 C ATOM 913 NE1 TRP A 58 12.974 0.416 -17.117 1.00 0.33 N ATOM 914 CE2 TRP A 58 13.752 1.470 -17.238 1.00 0.29 C ATOM 915 CE3 TRP A 58 16.105 1.750 -17.287 1.00 0.12 C ATOM 916 CZ2 TRP A 58 13.588 2.820 -17.376 1.00 0.34 C ATOM 917 CZ3 TRP A 58 15.946 3.115 -17.422 1.00 0.14 C ATOM 918 CH2 TRP A 58 14.686 3.649 -17.468 1.00 0.27 C ATOM 0 H TRP A 58 17.831 -3.101 -17.202 1.00 0.36 H new ATOM 0 HA TRP A 58 14.969 -3.117 -16.658 1.00 0.27 H new ATOM 0 HB2 TRP A 58 16.516 -1.326 -15.981 1.00 0.18 H new ATOM 0 HB3 TRP A 58 16.878 -0.968 -17.658 1.00 0.18 H new ATOM 0 HD1 TRP A 58 13.116 -1.749 -16.886 1.00 0.26 H new ATOM 0 HE1 TRP A 58 11.958 0.507 -17.115 1.00 0.33 H new ATOM 0 HE3 TRP A 58 17.097 1.325 -17.254 1.00 0.12 H new ATOM 0 HZ2 TRP A 58 12.593 3.239 -17.413 1.00 0.34 H new ATOM 0 HZ3 TRP A 58 16.811 3.758 -17.491 1.00 0.14 H new ATOM 0 HH2 TRP A 58 14.553 4.715 -17.576 1.00 0.27 H new ATOM 929 N ASN A 59 15.882 -2.544 -19.767 1.00 0.31 N ATOM 930 CA ASN A 59 15.509 -2.550 -21.207 1.00 0.35 C ATOM 931 C ASN A 59 14.917 -3.924 -21.555 1.00 0.20 C ATOM 932 O ASN A 59 14.242 -4.066 -22.559 1.00 0.22 O ATOM 933 CB ASN A 59 16.800 -2.250 -21.944 1.00 0.55 C ATOM 934 CG ASN A 59 16.610 -1.925 -23.399 1.00 0.75 C ATOM 935 OD1 ASN A 59 15.960 -0.997 -23.826 1.00 1.09 O ATOM 936 ND2 ASN A 59 17.207 -2.719 -24.207 1.00 0.59 N ATOM 0 H ASN A 59 16.861 -2.305 -19.611 1.00 0.31 H new ATOM 0 HA ASN A 59 14.750 -1.816 -21.478 1.00 0.35 H new ATOM 0 HB2 ASN A 59 17.299 -1.412 -21.457 1.00 0.55 H new ATOM 0 HB3 ASN A 59 17.464 -3.110 -21.858 1.00 0.55 H new ATOM 0 HD21 ASN A 59 17.136 -2.571 -25.214 1.00 0.59 H new ATOM 0 HD22 ASN A 59 17.754 -3.500 -23.844 1.00 0.59 H new ATOM 943 N GLU A 60 15.196 -4.869 -20.691 1.00 0.20 N ATOM 944 CA GLU A 60 14.674 -6.251 -20.913 1.00 0.33 C ATOM 945 C GLU A 60 13.211 -6.195 -20.406 1.00 0.30 C ATOM 946 O GLU A 60 12.295 -6.744 -20.982 1.00 0.33 O ATOM 947 CB GLU A 60 15.558 -7.239 -20.106 1.00 0.40 C ATOM 948 CG GLU A 60 15.091 -8.693 -20.351 1.00 0.32 C ATOM 949 CD GLU A 60 15.652 -9.617 -19.273 1.00 0.60 C ATOM 950 OE1 GLU A 60 15.012 -9.614 -18.234 1.00 1.68 O ATOM 951 OE2 GLU A 60 16.661 -10.242 -19.545 1.00 1.34 O ATOM 0 H GLU A 60 15.758 -4.744 -19.849 1.00 0.20 H new ATOM 0 HA GLU A 60 14.700 -6.589 -21.949 1.00 0.33 H new ATOM 0 HB2 GLU A 60 16.602 -7.130 -20.401 1.00 0.40 H new ATOM 0 HB3 GLU A 60 15.501 -7.005 -19.043 1.00 0.40 H new ATOM 0 HG2 GLU A 60 14.002 -8.738 -20.348 1.00 0.32 H new ATOM 0 HG3 GLU A 60 15.421 -9.028 -21.334 1.00 0.32 H new ATOM 958 N LEU A 61 13.045 -5.501 -19.316 1.00 0.28 N ATOM 959 CA LEU A 61 11.706 -5.306 -18.663 1.00 0.31 C ATOM 960 C LEU A 61 10.814 -4.293 -19.384 1.00 0.30 C ATOM 961 O LEU A 61 9.623 -4.252 -19.137 1.00 0.29 O ATOM 962 CB LEU A 61 11.837 -4.760 -17.259 1.00 0.23 C ATOM 963 CG LEU A 61 12.883 -5.452 -16.453 1.00 0.17 C ATOM 964 CD1 LEU A 61 12.978 -4.740 -15.153 1.00 0.15 C ATOM 965 CD2 LEU A 61 12.581 -6.894 -16.326 1.00 0.22 C ATOM 0 H LEU A 61 13.811 -5.039 -18.826 1.00 0.28 H new ATOM 0 HA LEU A 61 11.265 -6.303 -18.688 1.00 0.31 H new ATOM 0 HB2 LEU A 61 12.072 -3.697 -17.310 1.00 0.23 H new ATOM 0 HB3 LEU A 61 10.877 -4.850 -16.750 1.00 0.23 H new ATOM 0 HG LEU A 61 13.858 -5.415 -16.940 1.00 0.17 H new ATOM 0 HD11 LEU A 61 13.736 -5.217 -14.531 1.00 0.15 H new ATOM 0 HD12 LEU A 61 13.254 -3.700 -15.327 1.00 0.15 H new ATOM 0 HD13 LEU A 61 12.014 -4.780 -14.645 1.00 0.15 H new ATOM 0 HD21 LEU A 61 13.358 -7.378 -15.734 1.00 0.22 H new ATOM 0 HD22 LEU A 61 11.617 -7.022 -15.834 1.00 0.22 H new ATOM 0 HD23 LEU A 61 12.545 -7.347 -17.317 1.00 0.22 H new ATOM 977 N LYS A 62 11.369 -3.469 -20.232 1.00 0.40 N ATOM 978 CA LYS A 62 10.529 -2.469 -20.974 1.00 0.58 C ATOM 979 C LYS A 62 9.295 -3.287 -21.458 1.00 1.09 C ATOM 980 O LYS A 62 9.402 -4.396 -21.954 1.00 2.46 O ATOM 981 CB LYS A 62 11.318 -1.949 -22.134 1.00 0.43 C ATOM 982 CG LYS A 62 10.683 -0.657 -22.700 1.00 0.51 C ATOM 983 CD LYS A 62 10.024 -0.903 -24.098 1.00 1.75 C ATOM 984 CE LYS A 62 9.678 0.431 -24.827 1.00 1.95 C ATOM 985 NZ LYS A 62 8.439 1.058 -24.245 1.00 3.26 N ATOM 0 H LYS A 62 12.366 -3.441 -20.447 1.00 0.40 H new ATOM 0 HA LYS A 62 10.230 -1.611 -20.372 1.00 0.58 H new ATOM 0 HB2 LYS A 62 12.343 -1.748 -21.821 1.00 0.43 H new ATOM 0 HB3 LYS A 62 11.366 -2.708 -22.915 1.00 0.43 H new ATOM 0 HG2 LYS A 62 9.932 -0.285 -22.003 1.00 0.51 H new ATOM 0 HG3 LYS A 62 11.447 0.116 -22.788 1.00 0.51 H new ATOM 0 HD2 LYS A 62 10.701 -1.490 -24.719 1.00 1.75 H new ATOM 0 HD3 LYS A 62 9.116 -1.492 -23.971 1.00 1.75 H new ATOM 0 HE2 LYS A 62 10.515 1.124 -24.742 1.00 1.95 H new ATOM 0 HE3 LYS A 62 9.529 0.241 -25.890 1.00 1.95 H new ATOM 0 HZ1 LYS A 62 7.652 0.962 -24.918 1.00 3.26 H new ATOM 0 HZ2 LYS A 62 8.193 0.580 -23.355 1.00 3.26 H new ATOM 0 HZ3 LYS A 62 8.614 2.066 -24.059 1.00 3.26 H new ATOM 999 N GLY A 63 8.164 -2.684 -21.326 1.00 0.54 N ATOM 1000 CA GLY A 63 6.884 -3.388 -21.722 1.00 0.70 C ATOM 1001 C GLY A 63 6.163 -3.873 -20.426 1.00 0.55 C ATOM 1002 O GLY A 63 4.984 -4.176 -20.433 1.00 0.64 O ATOM 0 H GLY A 63 8.046 -1.737 -20.965 1.00 0.54 H new ATOM 0 HA2 GLY A 63 6.239 -2.713 -22.284 1.00 0.70 H new ATOM 0 HA3 GLY A 63 7.103 -4.235 -22.373 1.00 0.70 H new ATOM 1006 N THR A 64 6.897 -3.945 -19.345 1.00 0.55 N ATOM 1007 CA THR A 64 6.301 -4.391 -18.022 1.00 0.46 C ATOM 1008 C THR A 64 5.644 -3.175 -17.368 1.00 0.36 C ATOM 1009 O THR A 64 5.883 -2.057 -17.782 1.00 0.45 O ATOM 1010 CB THR A 64 7.409 -4.919 -17.059 1.00 0.45 C ATOM 1011 OG1 THR A 64 7.524 -6.300 -17.359 1.00 0.60 O ATOM 1012 CG2 THR A 64 7.022 -4.944 -15.559 1.00 0.32 C ATOM 0 H THR A 64 7.890 -3.715 -19.309 1.00 0.55 H new ATOM 0 HA THR A 64 5.584 -5.191 -18.207 1.00 0.46 H new ATOM 0 HB THR A 64 8.278 -4.275 -17.197 1.00 0.45 H new ATOM 0 HG1 THR A 64 8.211 -6.703 -16.788 1.00 0.60 H new ATOM 0 HG21 THR A 64 7.858 -5.326 -14.974 1.00 0.32 H new ATOM 0 HG22 THR A 64 6.780 -3.934 -15.229 1.00 0.32 H new ATOM 0 HG23 THR A 64 6.155 -5.589 -15.418 1.00 0.32 H new ATOM 1020 N SER A 65 4.820 -3.386 -16.367 1.00 0.38 N ATOM 1021 CA SER A 65 4.159 -2.234 -15.682 1.00 0.56 C ATOM 1022 C SER A 65 4.826 -1.858 -14.345 1.00 0.56 C ATOM 1023 O SER A 65 5.375 -2.674 -13.621 1.00 0.61 O ATOM 1024 CB SER A 65 2.686 -2.597 -15.456 1.00 0.63 C ATOM 1025 OG SER A 65 2.223 -2.725 -16.796 1.00 1.83 O ATOM 0 H SER A 65 4.579 -4.306 -15.997 1.00 0.38 H new ATOM 0 HA SER A 65 4.257 -1.357 -16.322 1.00 0.56 H new ATOM 0 HB2 SER A 65 2.572 -3.522 -14.891 1.00 0.63 H new ATOM 0 HB3 SER A 65 2.151 -1.822 -14.908 1.00 0.63 H new ATOM 0 HG SER A 65 1.272 -2.963 -16.792 1.00 1.83 H new ATOM 1031 N LYS A 66 4.719 -0.579 -14.111 1.00 0.52 N ATOM 1032 CA LYS A 66 5.256 0.113 -12.896 1.00 0.57 C ATOM 1033 C LYS A 66 5.215 -0.746 -11.608 1.00 0.47 C ATOM 1034 O LYS A 66 6.100 -0.811 -10.773 1.00 0.55 O ATOM 1035 CB LYS A 66 4.424 1.385 -12.715 1.00 0.60 C ATOM 1036 CG LYS A 66 4.579 2.421 -13.865 1.00 0.92 C ATOM 1037 CD LYS A 66 5.593 3.517 -13.428 1.00 1.12 C ATOM 1038 CE LYS A 66 5.539 4.750 -14.324 1.00 0.73 C ATOM 1039 NZ LYS A 66 6.245 4.463 -15.611 1.00 1.44 N ATOM 0 H LYS A 66 4.250 0.057 -14.756 1.00 0.52 H new ATOM 0 HA LYS A 66 6.314 0.324 -13.054 1.00 0.57 H new ATOM 0 HB2 LYS A 66 3.373 1.109 -12.630 1.00 0.60 H new ATOM 0 HB3 LYS A 66 4.706 1.859 -11.775 1.00 0.60 H new ATOM 0 HG2 LYS A 66 4.927 1.927 -14.772 1.00 0.92 H new ATOM 0 HG3 LYS A 66 3.614 2.872 -14.098 1.00 0.92 H new ATOM 0 HD2 LYS A 66 5.386 3.810 -12.399 1.00 1.12 H new ATOM 0 HD3 LYS A 66 6.601 3.103 -13.445 1.00 1.12 H new ATOM 0 HE2 LYS A 66 4.503 5.026 -14.519 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.005 5.598 -13.822 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.047 5.116 -15.720 1.00 1.44 H new ATOM 0 HZ2 LYS A 66 6.595 3.484 -15.604 1.00 1.44 H new ATOM 0 HZ3 LYS A 66 5.585 4.589 -16.405 1.00 1.44 H new ATOM 1053 N GLU A 67 4.094 -1.399 -11.541 1.00 0.30 N ATOM 1054 CA GLU A 67 3.709 -2.310 -10.427 1.00 0.28 C ATOM 1055 C GLU A 67 4.379 -3.678 -10.396 1.00 0.29 C ATOM 1056 O GLU A 67 4.897 -4.036 -9.361 1.00 0.32 O ATOM 1057 CB GLU A 67 2.198 -2.407 -10.513 1.00 0.33 C ATOM 1058 CG GLU A 67 1.609 -1.136 -9.775 1.00 0.55 C ATOM 1059 CD GLU A 67 1.029 -0.089 -10.735 1.00 0.48 C ATOM 1060 OE1 GLU A 67 1.540 0.121 -11.823 1.00 1.47 O ATOM 1061 OE2 GLU A 67 0.060 0.476 -10.247 1.00 1.12 O ATOM 0 H GLU A 67 3.379 -1.332 -12.266 1.00 0.30 H new ATOM 0 HA GLU A 67 4.066 -1.890 -9.487 1.00 0.28 H new ATOM 0 HB2 GLU A 67 1.872 -2.435 -11.553 1.00 0.33 H new ATOM 0 HB3 GLU A 67 1.843 -3.324 -10.043 1.00 0.33 H new ATOM 0 HG2 GLU A 67 0.829 -1.455 -9.083 1.00 0.55 H new ATOM 0 HG3 GLU A 67 2.396 -0.675 -9.178 1.00 0.55 H new ATOM 1068 N ASP A 68 4.375 -4.444 -11.457 1.00 0.29 N ATOM 1069 CA ASP A 68 5.050 -5.782 -11.450 1.00 0.35 C ATOM 1070 C ASP A 68 6.464 -5.507 -10.903 1.00 0.32 C ATOM 1071 O ASP A 68 7.045 -6.136 -10.030 1.00 0.36 O ATOM 1072 CB ASP A 68 5.104 -6.239 -12.880 1.00 0.62 C ATOM 1073 CG ASP A 68 3.800 -6.098 -13.649 1.00 1.28 C ATOM 1074 OD1 ASP A 68 2.794 -6.530 -13.122 1.00 0.95 O ATOM 1075 OD2 ASP A 68 3.931 -5.555 -14.731 1.00 2.37 O ATOM 0 H ASP A 68 3.928 -4.198 -12.340 1.00 0.29 H new ATOM 0 HA ASP A 68 4.550 -6.544 -10.852 1.00 0.35 H new ATOM 0 HB2 ASP A 68 5.877 -5.672 -13.398 1.00 0.62 H new ATOM 0 HB3 ASP A 68 5.409 -7.285 -12.900 1.00 0.62 H new ATOM 1080 N ALA A 69 6.936 -4.476 -11.557 1.00 0.25 N ATOM 1081 CA ALA A 69 8.273 -3.906 -11.288 1.00 0.33 C ATOM 1082 C ALA A 69 8.253 -3.646 -9.788 1.00 0.34 C ATOM 1083 O ALA A 69 9.174 -4.073 -9.142 1.00 0.49 O ATOM 1084 CB ALA A 69 8.406 -2.642 -12.098 1.00 0.27 C ATOM 0 H ALA A 69 6.421 -3.994 -12.294 1.00 0.25 H new ATOM 0 HA ALA A 69 9.117 -4.541 -11.558 1.00 0.33 H new ATOM 0 HB1 ALA A 69 9.385 -2.197 -11.920 1.00 0.27 H new ATOM 0 HB2 ALA A 69 8.301 -2.876 -13.157 1.00 0.27 H new ATOM 0 HB3 ALA A 69 7.628 -1.937 -11.803 1.00 0.27 H new ATOM 1090 N MET A 70 7.268 -2.980 -9.234 1.00 0.23 N ATOM 1091 CA MET A 70 7.298 -2.775 -7.757 1.00 0.19 C ATOM 1092 C MET A 70 7.369 -4.126 -7.052 1.00 0.14 C ATOM 1093 O MET A 70 8.242 -4.296 -6.235 1.00 0.16 O ATOM 1094 CB MET A 70 6.019 -2.065 -7.207 1.00 0.18 C ATOM 1095 CG MET A 70 5.918 -0.618 -7.638 1.00 0.31 C ATOM 1096 SD MET A 70 4.564 0.343 -6.927 1.00 0.37 S ATOM 1097 CE MET A 70 4.852 1.782 -7.985 1.00 0.16 C ATOM 0 H MET A 70 6.468 -2.581 -9.725 1.00 0.23 H new ATOM 0 HA MET A 70 8.169 -2.149 -7.563 1.00 0.19 H new ATOM 0 HB2 MET A 70 5.135 -2.603 -7.549 1.00 0.18 H new ATOM 0 HB3 MET A 70 6.021 -2.115 -6.118 1.00 0.18 H new ATOM 0 HG2 MET A 70 6.856 -0.122 -7.389 1.00 0.31 H new ATOM 0 HG3 MET A 70 5.822 -0.591 -8.723 1.00 0.31 H new ATOM 0 HE1 MET A 70 4.126 2.559 -7.748 1.00 0.16 H new ATOM 0 HE2 MET A 70 5.859 2.163 -7.815 1.00 0.16 H new ATOM 0 HE3 MET A 70 4.745 1.492 -9.030 1.00 0.16 H new ATOM 1107 N LYS A 71 6.488 -5.036 -7.368 1.00 0.18 N ATOM 1108 CA LYS A 71 6.508 -6.367 -6.708 1.00 0.37 C ATOM 1109 C LYS A 71 7.920 -6.928 -6.597 1.00 0.55 C ATOM 1110 O LYS A 71 8.376 -7.158 -5.497 1.00 0.73 O ATOM 1111 CB LYS A 71 5.597 -7.314 -7.515 1.00 0.30 C ATOM 1112 CG LYS A 71 4.182 -7.312 -6.907 1.00 0.61 C ATOM 1113 CD LYS A 71 4.027 -8.337 -5.699 1.00 1.90 C ATOM 1114 CE LYS A 71 4.793 -8.019 -4.376 1.00 3.25 C ATOM 1115 NZ LYS A 71 6.255 -8.354 -4.465 1.00 4.26 N ATOM 0 H LYS A 71 5.750 -4.911 -8.061 1.00 0.18 H new ATOM 0 HA LYS A 71 6.140 -6.268 -5.687 1.00 0.37 H new ATOM 0 HB2 LYS A 71 5.557 -6.996 -8.557 1.00 0.30 H new ATOM 0 HB3 LYS A 71 6.006 -8.324 -7.506 1.00 0.30 H new ATOM 0 HG2 LYS A 71 3.943 -6.307 -6.558 1.00 0.61 H new ATOM 0 HG3 LYS A 71 3.458 -7.560 -7.683 1.00 0.61 H new ATOM 0 HD2 LYS A 71 2.966 -8.418 -5.461 1.00 1.90 H new ATOM 0 HD3 LYS A 71 4.351 -9.318 -6.047 1.00 1.90 H new ATOM 0 HE2 LYS A 71 4.679 -6.961 -4.139 1.00 3.25 H new ATOM 0 HE3 LYS A 71 4.344 -8.579 -3.556 1.00 3.25 H new ATOM 0 HZ1 LYS A 71 6.573 -8.763 -3.563 1.00 4.26 H new ATOM 0 HZ2 LYS A 71 6.408 -9.042 -5.230 1.00 4.26 H new ATOM 0 HZ3 LYS A 71 6.798 -7.489 -4.663 1.00 4.26 H new ATOM 1129 N ALA A 72 8.549 -7.102 -7.725 1.00 0.53 N ATOM 1130 CA ALA A 72 9.929 -7.648 -7.776 1.00 0.76 C ATOM 1131 C ALA A 72 10.946 -6.626 -7.200 1.00 0.63 C ATOM 1132 O ALA A 72 11.843 -7.001 -6.466 1.00 0.80 O ATOM 1133 CB ALA A 72 10.086 -7.984 -9.266 1.00 0.93 C ATOM 0 H ALA A 72 8.150 -6.881 -8.638 1.00 0.53 H new ATOM 0 HA ALA A 72 10.116 -8.528 -7.160 1.00 0.76 H new ATOM 0 HB1 ALA A 72 11.077 -8.402 -9.442 1.00 0.93 H new ATOM 0 HB2 ALA A 72 9.328 -8.712 -9.557 1.00 0.93 H new ATOM 0 HB3 ALA A 72 9.964 -7.077 -9.858 1.00 0.93 H new ATOM 1139 N TYR A 73 10.800 -5.375 -7.524 1.00 0.40 N ATOM 1140 CA TYR A 73 11.736 -4.355 -6.998 1.00 0.30 C ATOM 1141 C TYR A 73 11.787 -4.475 -5.500 1.00 0.23 C ATOM 1142 O TYR A 73 12.804 -4.781 -4.919 1.00 0.24 O ATOM 1143 CB TYR A 73 11.245 -2.986 -7.337 1.00 0.24 C ATOM 1144 CG TYR A 73 12.152 -1.983 -6.640 1.00 0.19 C ATOM 1145 CD1 TYR A 73 13.431 -1.848 -7.099 1.00 0.81 C ATOM 1146 CD2 TYR A 73 11.707 -1.194 -5.595 1.00 0.66 C ATOM 1147 CE1 TYR A 73 14.251 -0.923 -6.524 1.00 0.76 C ATOM 1148 CE2 TYR A 73 12.551 -0.261 -5.037 1.00 0.69 C ATOM 1149 CZ TYR A 73 13.821 -0.137 -5.515 1.00 0.19 C ATOM 1150 OH TYR A 73 14.707 0.779 -5.026 1.00 0.22 O ATOM 0 H TYR A 73 10.067 -5.015 -8.135 1.00 0.40 H new ATOM 0 HA TYR A 73 12.721 -4.512 -7.438 1.00 0.30 H new ATOM 0 HB2 TYR A 73 11.261 -2.830 -8.416 1.00 0.24 H new ATOM 0 HB3 TYR A 73 10.213 -2.859 -7.011 1.00 0.24 H new ATOM 0 HD1 TYR A 73 13.789 -2.467 -7.908 1.00 0.81 H new ATOM 0 HD2 TYR A 73 10.701 -1.309 -5.218 1.00 0.66 H new ATOM 0 HE1 TYR A 73 15.264 -0.817 -6.883 1.00 0.76 H new ATOM 0 HE2 TYR A 73 12.210 0.367 -4.228 1.00 0.69 H new ATOM 0 HH TYR A 73 14.698 1.578 -5.594 1.00 0.22 H new ATOM 1160 N ILE A 74 10.627 -4.225 -4.956 1.00 0.23 N ATOM 1161 CA ILE A 74 10.430 -4.265 -3.501 1.00 0.27 C ATOM 1162 C ILE A 74 11.001 -5.612 -3.053 1.00 0.46 C ATOM 1163 O ILE A 74 11.933 -5.639 -2.295 1.00 0.52 O ATOM 1164 CB ILE A 74 8.936 -4.128 -3.226 1.00 0.26 C ATOM 1165 CG1 ILE A 74 8.411 -2.780 -3.733 1.00 0.18 C ATOM 1166 CG2 ILE A 74 8.806 -4.021 -1.716 1.00 0.29 C ATOM 1167 CD1 ILE A 74 6.862 -2.812 -3.671 1.00 0.18 C ATOM 0 H ILE A 74 9.789 -3.988 -5.487 1.00 0.23 H new ATOM 0 HA ILE A 74 10.927 -3.462 -2.957 1.00 0.27 H new ATOM 0 HB ILE A 74 8.404 -4.958 -3.692 1.00 0.26 H new ATOM 0 HG12 ILE A 74 8.800 -1.966 -3.121 1.00 0.18 H new ATOM 0 HG13 ILE A 74 8.747 -2.600 -4.754 1.00 0.18 H new ATOM 0 HG21 ILE A 74 7.754 -3.920 -1.448 1.00 0.29 H new ATOM 0 HG22 ILE A 74 9.214 -4.918 -1.251 1.00 0.29 H new ATOM 0 HG23 ILE A 74 9.356 -3.148 -1.364 1.00 0.29 H new ATOM 0 HD11 ILE A 74 6.464 -1.862 -4.027 1.00 0.18 H new ATOM 0 HD12 ILE A 74 6.489 -3.620 -4.300 1.00 0.18 H new ATOM 0 HD13 ILE A 74 6.542 -2.976 -2.642 1.00 0.18 H new ATOM 1179 N ASP A 75 10.469 -6.706 -3.522 1.00 0.61 N ATOM 1180 CA ASP A 75 10.988 -8.051 -3.133 1.00 0.79 C ATOM 1181 C ASP A 75 12.509 -8.256 -3.195 1.00 0.83 C ATOM 1182 O ASP A 75 13.079 -9.171 -2.623 1.00 1.37 O ATOM 1183 CB ASP A 75 10.243 -9.009 -4.041 1.00 0.86 C ATOM 1184 CG ASP A 75 8.763 -9.147 -3.746 1.00 1.12 C ATOM 1185 OD1 ASP A 75 8.235 -8.391 -2.946 1.00 1.35 O ATOM 1186 OD2 ASP A 75 8.159 -10.013 -4.361 1.00 2.00 O ATOM 0 H ASP A 75 9.682 -6.727 -4.170 1.00 0.61 H new ATOM 0 HA ASP A 75 10.809 -8.211 -2.070 1.00 0.79 H new ATOM 0 HB2 ASP A 75 10.364 -8.677 -5.072 1.00 0.86 H new ATOM 0 HB3 ASP A 75 10.707 -9.993 -3.966 1.00 0.86 H new ATOM 1191 N LYS A 76 13.170 -7.414 -3.923 1.00 0.40 N ATOM 1192 CA LYS A 76 14.647 -7.553 -4.003 1.00 0.32 C ATOM 1193 C LYS A 76 15.181 -6.557 -3.001 1.00 0.23 C ATOM 1194 O LYS A 76 16.058 -6.894 -2.227 1.00 0.24 O ATOM 1195 CB LYS A 76 15.060 -7.283 -5.416 1.00 0.38 C ATOM 1196 CG LYS A 76 16.495 -7.886 -5.555 1.00 0.48 C ATOM 1197 CD LYS A 76 16.502 -9.471 -5.730 1.00 0.64 C ATOM 1198 CE LYS A 76 16.223 -10.315 -4.435 1.00 1.30 C ATOM 1199 NZ LYS A 76 14.756 -10.621 -4.248 1.00 2.19 N ATOM 0 H LYS A 76 12.765 -6.647 -4.459 1.00 0.40 H new ATOM 0 HA LYS A 76 15.034 -8.543 -3.762 1.00 0.32 H new ATOM 0 HB2 LYS A 76 14.370 -7.746 -6.122 1.00 0.38 H new ATOM 0 HB3 LYS A 76 15.062 -6.214 -5.627 1.00 0.38 H new ATOM 0 HG2 LYS A 76 16.991 -7.431 -6.413 1.00 0.48 H new ATOM 0 HG3 LYS A 76 17.079 -7.623 -4.673 1.00 0.48 H new ATOM 0 HD2 LYS A 76 15.755 -9.736 -6.479 1.00 0.64 H new ATOM 0 HD3 LYS A 76 17.472 -9.767 -6.129 1.00 0.64 H new ATOM 0 HE2 LYS A 76 16.782 -11.249 -4.487 1.00 1.30 H new ATOM 0 HE3 LYS A 76 16.591 -9.771 -3.565 1.00 1.30 H new ATOM 0 HZ1 LYS A 76 14.381 -10.056 -3.460 1.00 2.19 H new ATOM 0 HZ2 LYS A 76 14.239 -10.386 -5.119 1.00 2.19 H new ATOM 0 HZ3 LYS A 76 14.637 -11.632 -4.036 1.00 2.19 H new ATOM 1213 N VAL A 77 14.675 -5.359 -3.015 1.00 0.33 N ATOM 1214 CA VAL A 77 15.142 -4.348 -2.032 1.00 0.24 C ATOM 1215 C VAL A 77 15.006 -5.042 -0.663 1.00 0.27 C ATOM 1216 O VAL A 77 15.923 -5.019 0.133 1.00 0.24 O ATOM 1217 CB VAL A 77 14.231 -3.127 -2.053 1.00 0.25 C ATOM 1218 CG1 VAL A 77 14.619 -2.253 -0.833 1.00 0.26 C ATOM 1219 CG2 VAL A 77 14.371 -2.335 -3.371 1.00 0.18 C ATOM 0 H VAL A 77 13.958 -5.036 -3.665 1.00 0.33 H new ATOM 0 HA VAL A 77 16.157 -4.014 -2.248 1.00 0.24 H new ATOM 0 HB VAL A 77 13.187 -3.433 -1.994 1.00 0.25 H new ATOM 0 HG11 VAL A 77 13.990 -1.363 -0.808 1.00 0.26 H new ATOM 0 HG12 VAL A 77 14.476 -2.825 0.084 1.00 0.26 H new ATOM 0 HG13 VAL A 77 15.664 -1.955 -0.916 1.00 0.26 H new ATOM 0 HG21 VAL A 77 13.706 -1.472 -3.349 1.00 0.18 H new ATOM 0 HG22 VAL A 77 15.401 -1.997 -3.485 1.00 0.18 H new ATOM 0 HG23 VAL A 77 14.105 -2.977 -4.211 1.00 0.18 H new ATOM 1229 N GLU A 78 13.856 -5.647 -0.451 1.00 0.39 N ATOM 1230 CA GLU A 78 13.533 -6.367 0.807 1.00 0.51 C ATOM 1231 C GLU A 78 14.720 -7.179 1.279 1.00 0.34 C ATOM 1232 O GLU A 78 15.129 -7.088 2.422 1.00 0.51 O ATOM 1233 CB GLU A 78 12.300 -7.256 0.522 1.00 0.73 C ATOM 1234 CG GLU A 78 11.086 -6.728 1.350 1.00 0.98 C ATOM 1235 CD GLU A 78 11.368 -6.830 2.844 1.00 1.08 C ATOM 1236 OE1 GLU A 78 11.067 -7.890 3.356 1.00 2.31 O ATOM 1237 OE2 GLU A 78 11.876 -5.897 3.451 1.00 0.36 O ATOM 0 H GLU A 78 13.102 -5.665 -1.137 1.00 0.39 H new ATOM 0 HA GLU A 78 13.305 -5.667 1.611 1.00 0.51 H new ATOM 0 HB2 GLU A 78 12.064 -7.241 -0.542 1.00 0.73 H new ATOM 0 HB3 GLU A 78 12.514 -8.291 0.787 1.00 0.73 H new ATOM 0 HG2 GLU A 78 10.881 -5.691 1.083 1.00 0.98 H new ATOM 0 HG3 GLU A 78 10.193 -7.303 1.103 1.00 0.98 H new ATOM 1244 N GLU A 79 15.235 -7.957 0.369 1.00 0.18 N ATOM 1245 CA GLU A 79 16.405 -8.810 0.682 1.00 0.18 C ATOM 1246 C GLU A 79 17.620 -7.862 0.949 1.00 0.10 C ATOM 1247 O GLU A 79 18.292 -7.949 1.958 1.00 0.09 O ATOM 1248 CB GLU A 79 16.625 -9.740 -0.531 1.00 0.43 C ATOM 1249 CG GLU A 79 15.377 -10.684 -0.820 1.00 0.42 C ATOM 1250 CD GLU A 79 15.698 -11.806 -1.858 1.00 0.81 C ATOM 1251 OE1 GLU A 79 16.868 -12.007 -2.131 1.00 0.64 O ATOM 1252 OE2 GLU A 79 14.760 -12.416 -2.353 1.00 2.06 O ATOM 0 H GLU A 79 14.889 -8.036 -0.587 1.00 0.18 H new ATOM 0 HA GLU A 79 16.266 -9.431 1.567 1.00 0.18 H new ATOM 0 HB2 GLU A 79 16.829 -9.135 -1.414 1.00 0.43 H new ATOM 0 HB3 GLU A 79 17.507 -10.356 -0.356 1.00 0.43 H new ATOM 0 HG2 GLU A 79 15.049 -11.141 0.113 1.00 0.42 H new ATOM 0 HG3 GLU A 79 14.548 -10.080 -1.188 1.00 0.42 H new ATOM 1259 N LEU A 80 17.911 -6.956 0.050 1.00 0.15 N ATOM 1260 CA LEU A 80 19.083 -6.019 0.284 1.00 0.14 C ATOM 1261 C LEU A 80 19.109 -5.380 1.655 1.00 0.22 C ATOM 1262 O LEU A 80 20.072 -5.416 2.401 1.00 0.24 O ATOM 1263 CB LEU A 80 19.050 -4.896 -0.732 1.00 0.20 C ATOM 1264 CG LEU A 80 19.580 -5.373 -2.040 1.00 0.18 C ATOM 1265 CD1 LEU A 80 19.582 -4.197 -2.979 1.00 0.24 C ATOM 1266 CD2 LEU A 80 20.990 -5.916 -1.793 1.00 0.37 C ATOM 0 H LEU A 80 17.406 -6.815 -0.825 1.00 0.15 H new ATOM 0 HA LEU A 80 19.971 -6.644 0.191 1.00 0.14 H new ATOM 0 HB2 LEU A 80 18.029 -4.536 -0.854 1.00 0.20 H new ATOM 0 HB3 LEU A 80 19.644 -4.055 -0.375 1.00 0.20 H new ATOM 0 HG LEU A 80 18.978 -6.167 -2.482 1.00 0.18 H new ATOM 0 HD11 LEU A 80 19.965 -4.508 -3.951 1.00 0.24 H new ATOM 0 HD12 LEU A 80 18.565 -3.821 -3.093 1.00 0.24 H new ATOM 0 HD13 LEU A 80 20.217 -3.409 -2.574 1.00 0.24 H new ATOM 0 HD21 LEU A 80 21.411 -6.275 -2.732 1.00 0.37 H new ATOM 0 HD22 LEU A 80 21.621 -5.122 -1.393 1.00 0.37 H new ATOM 0 HD23 LEU A 80 20.943 -6.738 -1.078 1.00 0.37 H new ATOM 1278 N LYS A 81 17.988 -4.777 1.918 1.00 0.34 N ATOM 1279 CA LYS A 81 17.717 -4.056 3.192 1.00 0.52 C ATOM 1280 C LYS A 81 18.342 -4.769 4.356 1.00 0.60 C ATOM 1281 O LYS A 81 18.884 -4.125 5.239 1.00 0.76 O ATOM 1282 CB LYS A 81 16.206 -3.973 3.359 1.00 0.60 C ATOM 1283 CG LYS A 81 15.798 -3.010 4.503 1.00 0.96 C ATOM 1284 CD LYS A 81 15.873 -3.691 5.929 1.00 1.16 C ATOM 1285 CE LYS A 81 15.853 -2.610 7.006 1.00 1.83 C ATOM 1286 NZ LYS A 81 17.070 -1.793 6.755 1.00 3.00 N ATOM 0 H LYS A 81 17.205 -4.754 1.265 1.00 0.34 H new ATOM 0 HA LYS A 81 18.152 -3.057 3.160 1.00 0.52 H new ATOM 0 HB2 LYS A 81 15.756 -3.637 2.425 1.00 0.60 H new ATOM 0 HB3 LYS A 81 15.809 -4.967 3.564 1.00 0.60 H new ATOM 0 HG2 LYS A 81 16.450 -2.137 4.487 1.00 0.96 H new ATOM 0 HG3 LYS A 81 14.783 -2.653 4.328 1.00 0.96 H new ATOM 0 HD2 LYS A 81 15.032 -4.371 6.065 1.00 1.16 H new ATOM 0 HD3 LYS A 81 16.782 -4.287 6.013 1.00 1.16 H new ATOM 0 HE2 LYS A 81 14.950 -2.003 6.939 1.00 1.83 H new ATOM 0 HE3 LYS A 81 15.870 -3.047 8.004 1.00 1.83 H new ATOM 0 HZ1 LYS A 81 17.423 -1.411 7.655 1.00 3.00 H new ATOM 0 HZ2 LYS A 81 17.804 -2.388 6.320 1.00 3.00 H new ATOM 0 HZ3 LYS A 81 16.835 -1.008 6.114 1.00 3.00 H new ATOM 1300 N LYS A 82 18.202 -6.070 4.241 1.00 0.56 N ATOM 1301 CA LYS A 82 18.690 -7.074 5.204 1.00 0.61 C ATOM 1302 C LYS A 82 20.120 -7.535 4.955 1.00 0.53 C ATOM 1303 O LYS A 82 20.931 -7.507 5.853 1.00 0.61 O ATOM 1304 CB LYS A 82 17.729 -8.251 5.140 1.00 0.65 C ATOM 1305 CG LYS A 82 16.299 -7.761 5.459 1.00 1.13 C ATOM 1306 CD LYS A 82 15.376 -8.973 5.258 1.00 1.01 C ATOM 1307 CE LYS A 82 13.920 -8.644 5.554 1.00 2.02 C ATOM 1308 NZ LYS A 82 13.434 -7.732 4.488 1.00 2.24 N ATOM 0 H LYS A 82 17.726 -6.492 3.444 1.00 0.56 H new ATOM 0 HA LYS A 82 18.718 -6.618 6.194 1.00 0.61 H new ATOM 0 HB2 LYS A 82 17.758 -8.705 4.149 1.00 0.65 H new ATOM 0 HB3 LYS A 82 18.030 -9.020 5.852 1.00 0.65 H new ATOM 0 HG2 LYS A 82 16.234 -7.388 6.481 1.00 1.13 H new ATOM 0 HG3 LYS A 82 16.013 -6.940 4.801 1.00 1.13 H new ATOM 0 HD2 LYS A 82 15.465 -9.328 4.231 1.00 1.01 H new ATOM 0 HD3 LYS A 82 15.702 -9.787 5.906 1.00 1.01 H new ATOM 0 HE2 LYS A 82 13.321 -9.554 5.580 1.00 2.02 H new ATOM 0 HE3 LYS A 82 13.826 -8.172 6.532 1.00 2.02 H new ATOM 0 HZ1 LYS A 82 13.016 -6.884 4.921 1.00 2.24 H new ATOM 0 HZ2 LYS A 82 14.230 -7.453 3.880 1.00 2.24 H new ATOM 0 HZ3 LYS A 82 12.715 -8.219 3.916 1.00 2.24 H new ATOM 1322 N LYS A 83 20.383 -7.957 3.754 1.00 0.39 N ATOM 1323 CA LYS A 83 21.738 -8.441 3.327 1.00 0.39 C ATOM 1324 C LYS A 83 22.783 -7.488 3.868 1.00 0.45 C ATOM 1325 O LYS A 83 23.774 -7.876 4.455 1.00 0.57 O ATOM 1326 CB LYS A 83 21.788 -8.463 1.818 1.00 0.23 C ATOM 1327 CG LYS A 83 20.972 -9.646 1.312 1.00 0.17 C ATOM 1328 CD LYS A 83 20.502 -9.331 -0.119 1.00 0.12 C ATOM 1329 CE LYS A 83 19.908 -10.604 -0.710 1.00 0.20 C ATOM 1330 NZ LYS A 83 21.029 -11.517 -1.085 1.00 0.83 N ATOM 0 H LYS A 83 19.685 -7.990 3.011 1.00 0.39 H new ATOM 0 HA LYS A 83 21.930 -9.443 3.709 1.00 0.39 H new ATOM 0 HB2 LYS A 83 21.391 -7.532 1.415 1.00 0.23 H new ATOM 0 HB3 LYS A 83 22.820 -8.544 1.477 1.00 0.23 H new ATOM 0 HG2 LYS A 83 21.574 -10.555 1.323 1.00 0.17 H new ATOM 0 HG3 LYS A 83 20.116 -9.823 1.963 1.00 0.17 H new ATOM 0 HD2 LYS A 83 19.760 -8.533 -0.109 1.00 0.12 H new ATOM 0 HD3 LYS A 83 21.337 -8.982 -0.726 1.00 0.12 H new ATOM 0 HE2 LYS A 83 19.251 -11.087 0.013 1.00 0.20 H new ATOM 0 HE3 LYS A 83 19.301 -10.369 -1.585 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 20.672 -12.266 -1.712 1.00 0.83 H new ATOM 0 HZ2 LYS A 83 21.767 -10.976 -1.579 1.00 0.83 H new ATOM 0 HZ3 LYS A 83 21.430 -11.946 -0.226 1.00 0.83 H new ATOM 1344 N TYR A 84 22.468 -6.246 3.617 1.00 0.38 N ATOM 1345 CA TYR A 84 23.382 -5.184 4.088 1.00 0.46 C ATOM 1346 C TYR A 84 22.781 -4.747 5.434 1.00 0.64 C ATOM 1347 O TYR A 84 23.575 -4.718 6.356 1.00 0.90 O ATOM 1348 CB TYR A 84 23.450 -4.130 2.900 1.00 0.49 C ATOM 1349 CG TYR A 84 23.936 -5.045 1.757 1.00 0.41 C ATOM 1350 CD1 TYR A 84 25.286 -5.335 1.684 1.00 0.97 C ATOM 1351 CD2 TYR A 84 23.074 -5.657 0.846 1.00 0.87 C ATOM 1352 CE1 TYR A 84 25.765 -6.214 0.741 1.00 1.04 C ATOM 1353 CE2 TYR A 84 23.563 -6.534 -0.082 1.00 0.76 C ATOM 1354 CZ TYR A 84 24.910 -6.817 -0.143 1.00 0.36 C ATOM 1355 OH TYR A 84 25.413 -7.681 -1.090 1.00 0.40 O ATOM 0 H TYR A 84 21.636 -5.932 3.118 1.00 0.38 H new ATOM 0 HA TYR A 84 24.424 -5.431 4.293 1.00 0.46 H new ATOM 0 HB2 TYR A 84 22.481 -3.678 2.688 1.00 0.49 H new ATOM 0 HB3 TYR A 84 24.144 -3.315 3.105 1.00 0.49 H new ATOM 0 HD1 TYR A 84 25.971 -4.866 2.375 1.00 0.97 H new ATOM 0 HD2 TYR A 84 22.017 -5.437 0.874 1.00 0.87 H new ATOM 0 HE1 TYR A 84 26.822 -6.430 0.697 1.00 1.04 H new ATOM 0 HE2 TYR A 84 22.886 -7.010 -0.775 1.00 0.76 H new ATOM 0 HH TYR A 84 24.681 -8.014 -1.650 1.00 0.40 H new ATOM 1365 N GLY A 85 21.513 -4.410 5.611 1.00 0.57 N ATOM 1366 CA GLY A 85 21.134 -4.039 7.045 1.00 0.84 C ATOM 1367 C GLY A 85 21.214 -2.573 7.348 1.00 0.51 C ATOM 1368 O GLY A 85 22.047 -2.103 8.102 1.00 0.89 O ATOM 0 H GLY A 85 20.778 -4.373 4.904 1.00 0.57 H new ATOM 0 HA2 GLY A 85 20.118 -4.383 7.240 1.00 0.84 H new ATOM 0 HA3 GLY A 85 21.789 -4.576 7.731 1.00 0.84 H new ATOM 1372 N ILE A 86 20.298 -1.908 6.738 1.00 0.28 N ATOM 1373 CA ILE A 86 20.215 -0.460 6.892 1.00 0.91 C ATOM 1374 C ILE A 86 19.389 0.064 8.098 1.00 1.56 C ATOM 1375 O ILE A 86 19.604 1.234 8.353 1.00 3.04 O ATOM 1376 CB ILE A 86 19.732 0.022 5.450 1.00 0.76 C ATOM 1377 CG1 ILE A 86 18.388 0.698 5.473 1.00 0.83 C ATOM 1378 CG2 ILE A 86 19.626 -1.069 4.361 1.00 0.35 C ATOM 1379 CD1 ILE A 86 18.563 2.119 5.016 1.00 1.17 C ATOM 1380 OXT ILE A 86 18.622 -0.669 8.699 1.00 1.24 O ATOM 0 H ILE A 86 19.591 -2.319 6.128 1.00 0.28 H new ATOM 0 HA ILE A 86 21.173 -0.025 7.179 1.00 0.91 H new ATOM 0 HB ILE A 86 20.539 0.706 5.188 1.00 0.76 H new ATOM 0 HG12 ILE A 86 17.689 0.174 4.822 1.00 0.83 H new ATOM 0 HG13 ILE A 86 17.968 0.672 6.478 1.00 0.83 H new ATOM 0 HG21 ILE A 86 19.289 -0.619 3.427 1.00 0.35 H new ATOM 0 HG22 ILE A 86 20.603 -1.529 4.210 1.00 0.35 H new ATOM 0 HG23 ILE A 86 18.912 -1.830 4.676 1.00 0.35 H new ATOM 0 HD11 ILE A 86 17.598 2.626 5.026 1.00 1.17 H new ATOM 0 HD12 ILE A 86 19.251 2.635 5.686 1.00 1.17 H new ATOM 0 HD13 ILE A 86 18.967 2.128 4.004 1.00 1.17 H new