USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 71 SER OG : rot -73:sc= 0.0121 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.333 K(o=-0.32,f=-2.3!) USER MOD Single : A 8 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-0.68) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 0.0253 USER MOD Single : A 16 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.8!) USER MOD Single : A 24 HIS : no HD1:sc=-0.00647 X(o=-0.0065,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 167:sc= -0.0255 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= -0.0342 (180deg=-0.35) USER MOD Single : A 46 TYR OH : rot 110:sc= -2.9! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 0.861 (180deg=0.473) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 141:sc= -1.74 (180deg=-3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.0273 USER MOD Single : A 84 THR OG1 : rot -100:sc= -4.93! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.7!) USER MOD Single : A 93 THR OG1 : rot 20:sc= -0.0955 USER MOD Single : A 95 SER OG : rot -59:sc= 1.15 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -4.64! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00437 USER MOD Single : A 110 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.21) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.170 4.030 13.329 1.00 1.37 N ATOM 40 CA GLU A 4 -4.772 2.626 13.637 1.00 1.14 C ATOM 41 C GLU A 4 -3.814 2.109 12.560 1.00 0.89 C ATOM 42 O GLU A 4 -3.687 2.692 11.501 1.00 1.30 O ATOM 43 CB GLU A 4 -6.078 1.830 13.625 1.00 1.67 C ATOM 44 CG GLU A 4 -6.086 0.844 14.797 1.00 2.39 C ATOM 45 CD GLU A 4 -4.840 1.064 15.660 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.899 1.662 15.167 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.850 0.629 16.800 1.00 3.09 O ATOM 0 HA GLU A 4 -4.256 2.539 14.593 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.929 2.507 13.699 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.180 1.292 12.683 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.986 0.983 15.397 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.107 -0.180 14.424 1.00 2.39 H new ATOM 54 N GLU A 5 -3.135 1.025 12.820 1.00 1.00 N ATOM 55 CA GLU A 5 -2.183 0.484 11.803 1.00 0.81 C ATOM 56 C GLU A 5 -1.760 -0.938 12.160 1.00 0.87 C ATOM 57 O GLU A 5 -2.177 -1.498 13.155 1.00 1.15 O ATOM 58 CB GLU A 5 -0.969 1.420 11.830 1.00 0.95 C ATOM 59 CG GLU A 5 -0.499 1.635 13.274 1.00 1.46 C ATOM 60 CD GLU A 5 0.594 2.706 13.301 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.448 2.674 12.429 1.00 2.19 O ATOM 62 OE2 GLU A 5 0.560 3.537 14.192 1.00 2.50 O ATOM 0 H GLU A 5 -3.196 0.492 13.687 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.641 0.441 10.815 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.160 0.995 11.236 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.228 2.377 11.378 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.338 1.941 13.899 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.118 0.701 13.687 1.00 1.46 H new ATOM 69 N GLU A 6 -0.931 -1.523 11.344 1.00 0.79 N ATOM 70 CA GLU A 6 -0.466 -2.912 11.612 1.00 1.04 C ATOM 71 C GLU A 6 0.965 -2.890 12.157 1.00 1.10 C ATOM 72 O GLU A 6 1.417 -1.898 12.695 1.00 1.76 O ATOM 73 CB GLU A 6 -0.517 -3.604 10.251 1.00 1.28 C ATOM 74 CG GLU A 6 -1.588 -4.694 10.279 1.00 1.68 C ATOM 75 CD GLU A 6 -2.658 -4.336 11.311 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.343 -4.343 12.490 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.776 -4.060 10.907 1.00 2.24 O ATOM 0 H GLU A 6 -0.553 -1.097 10.498 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.077 -3.425 12.354 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -0.741 -2.878 9.469 1.00 1.28 H new ATOM 0 HB3 GLU A 6 0.454 -4.038 10.014 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -2.040 -4.799 9.293 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -1.137 -5.655 10.527 1.00 1.68 H new ATOM 84 N ASP A 7 1.681 -3.974 12.025 1.00 1.27 N ATOM 85 CA ASP A 7 3.083 -4.012 12.538 1.00 1.35 C ATOM 86 C ASP A 7 3.864 -2.776 12.073 1.00 1.28 C ATOM 87 O ASP A 7 4.370 -2.016 12.874 1.00 2.01 O ATOM 88 CB ASP A 7 3.685 -5.283 11.939 1.00 1.53 C ATOM 89 CG ASP A 7 3.232 -5.427 10.485 1.00 1.92 C ATOM 90 OD1 ASP A 7 3.317 -4.449 9.760 1.00 2.57 O ATOM 91 OD2 ASP A 7 2.809 -6.511 10.121 1.00 2.36 O ATOM 0 H ASP A 7 1.357 -4.835 11.585 1.00 1.27 H new ATOM 0 HA ASP A 7 3.121 -4.012 13.627 1.00 1.35 H new ATOM 0 HB2 ASP A 7 4.773 -5.241 11.989 1.00 1.53 H new ATOM 0 HB3 ASP A 7 3.372 -6.153 12.516 1.00 1.53 H new ATOM 96 N HIS A 8 3.976 -2.573 10.787 1.00 1.21 N ATOM 97 CA HIS A 8 4.735 -1.388 10.289 1.00 1.11 C ATOM 98 C HIS A 8 3.937 -0.612 9.232 1.00 0.81 C ATOM 99 O HIS A 8 4.334 0.459 8.815 1.00 0.87 O ATOM 100 CB HIS A 8 6.009 -1.969 9.674 1.00 1.32 C ATOM 101 CG HIS A 8 7.183 -1.099 10.035 1.00 1.61 C ATOM 102 ND1 HIS A 8 8.467 -1.371 9.591 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.282 0.039 10.797 1.00 2.02 C ATOM 104 CE1 HIS A 8 9.277 -0.416 10.085 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.605 0.470 10.826 1.00 2.33 N ATOM 0 H HIS A 8 3.578 -3.172 10.064 1.00 1.21 H new ATOM 0 HA HIS A 8 4.942 -0.680 11.091 1.00 1.11 H new ATOM 0 HB2 HIS A 8 6.170 -2.984 10.036 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.907 -2.030 8.590 1.00 1.32 H new ATOM 0 HD2 HIS A 8 6.458 0.526 11.298 1.00 2.02 H new ATOM 0 HE1 HIS A 8 10.341 -0.371 9.904 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.981 1.286 11.309 1.00 2.33 H new ATOM 113 N VAL A 9 2.821 -1.128 8.790 1.00 0.69 N ATOM 114 CA VAL A 9 2.025 -0.401 7.765 1.00 0.49 C ATOM 115 C VAL A 9 0.733 0.132 8.390 1.00 0.41 C ATOM 116 O VAL A 9 0.391 -0.207 9.506 1.00 0.54 O ATOM 117 CB VAL A 9 1.728 -1.450 6.693 1.00 0.68 C ATOM 118 CG1 VAL A 9 3.044 -2.038 6.176 1.00 0.89 C ATOM 119 CG2 VAL A 9 0.868 -2.567 7.285 1.00 0.88 C ATOM 0 H VAL A 9 2.429 -2.019 9.095 1.00 0.69 H new ATOM 0 HA VAL A 9 2.549 0.461 7.352 1.00 0.49 H new ATOM 0 HB VAL A 9 1.189 -0.980 5.870 1.00 0.68 H new ATOM 0 HG11 VAL A 9 2.833 -2.786 5.412 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.654 -1.243 5.747 1.00 0.89 H new ATOM 0 HG13 VAL A 9 3.583 -2.504 7.001 1.00 0.89 H new ATOM 0 HG21 VAL A 9 0.659 -3.312 6.517 1.00 0.88 H new ATOM 0 HG22 VAL A 9 1.401 -3.038 8.111 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.070 -2.149 7.650 1.00 0.88 H new ATOM 129 N LEU A 10 0.013 0.968 7.691 1.00 0.41 N ATOM 130 CA LEU A 10 -1.250 1.518 8.272 1.00 0.54 C ATOM 131 C LEU A 10 -2.403 1.420 7.268 1.00 0.42 C ATOM 132 O LEU A 10 -2.208 1.446 6.071 1.00 0.59 O ATOM 133 CB LEU A 10 -0.935 2.982 8.581 1.00 0.83 C ATOM 134 CG LEU A 10 -0.589 3.713 7.282 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.699 4.710 6.947 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.734 4.461 7.454 1.00 1.49 C ATOM 0 H LEU A 10 0.240 1.293 6.751 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.564 0.965 9.157 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.791 3.456 9.061 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.101 3.046 9.280 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.494 2.989 6.472 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.453 5.231 6.022 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.642 4.177 6.824 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.795 5.434 7.756 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.981 4.982 6.529 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.640 5.185 8.264 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.525 3.750 7.692 1.00 1.49 H new ATOM 148 N VAL A 11 -3.611 1.315 7.751 1.00 0.54 N ATOM 149 CA VAL A 11 -4.778 1.222 6.827 1.00 0.46 C ATOM 150 C VAL A 11 -5.301 2.625 6.505 1.00 0.43 C ATOM 151 O VAL A 11 -5.076 3.564 7.243 1.00 0.54 O ATOM 152 CB VAL A 11 -5.827 0.413 7.593 1.00 0.61 C ATOM 153 CG1 VAL A 11 -7.032 0.143 6.689 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.221 -0.919 8.038 1.00 1.39 C ATOM 0 H VAL A 11 -3.841 1.290 8.745 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.523 0.752 5.877 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.148 0.979 8.467 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.777 -0.433 7.238 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.468 1.090 6.371 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.711 -0.420 5.813 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.969 -1.495 8.584 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.897 -1.482 7.163 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -4.365 -0.731 8.685 1.00 1.39 H new ATOM 164 N LEU A 12 -5.989 2.779 5.407 1.00 0.40 N ATOM 165 CA LEU A 12 -6.514 4.126 5.043 1.00 0.45 C ATOM 166 C LEU A 12 -8.039 4.157 5.163 1.00 0.44 C ATOM 167 O LEU A 12 -8.674 3.152 5.414 1.00 0.58 O ATOM 168 CB LEU A 12 -6.078 4.336 3.594 1.00 0.63 C ATOM 169 CG LEU A 12 -4.556 4.486 3.542 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.109 4.700 2.096 1.00 1.16 C ATOM 171 CD2 LEU A 12 -4.134 5.690 4.387 1.00 0.82 C ATOM 0 H LEU A 12 -6.210 2.033 4.748 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.137 4.909 5.700 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.393 3.492 2.981 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.557 5.225 3.183 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.091 3.582 3.935 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.025 4.806 2.062 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.408 3.843 1.492 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.575 5.603 1.701 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -3.050 5.798 4.351 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.602 6.592 3.994 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.449 5.538 5.419 1.00 0.82 H new ATOM 183 N ARG A 13 -8.631 5.307 4.991 1.00 0.47 N ATOM 184 CA ARG A 13 -10.114 5.407 5.102 1.00 0.55 C ATOM 185 C ARG A 13 -10.658 6.437 4.107 1.00 0.54 C ATOM 186 O ARG A 13 -9.971 6.861 3.197 1.00 0.73 O ATOM 187 CB ARG A 13 -10.372 5.857 6.541 1.00 0.69 C ATOM 188 CG ARG A 13 -10.261 4.652 7.478 1.00 1.19 C ATOM 189 CD ARG A 13 -11.186 4.852 8.680 1.00 1.28 C ATOM 190 NE ARG A 13 -11.525 3.472 9.132 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.375 3.140 10.384 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.771 3.950 11.327 1.00 2.68 N ATOM 193 NH2 ARG A 13 -10.829 1.997 10.695 1.00 2.84 N ATOM 0 H ARG A 13 -8.152 6.182 4.778 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.609 4.463 4.874 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.652 6.623 6.829 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.363 6.304 6.622 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.530 3.739 6.947 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.231 4.533 7.814 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.692 5.417 9.470 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.081 5.409 8.402 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.874 2.787 8.461 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.198 4.844 11.085 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -11.653 3.689 12.306 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -10.519 1.363 9.959 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -10.712 1.738 11.674 1.00 2.84 H new ATOM 207 N LYS A 14 -11.890 6.836 4.271 1.00 0.58 N ATOM 208 CA LYS A 14 -12.491 7.830 3.335 1.00 0.63 C ATOM 209 C LYS A 14 -11.740 9.165 3.397 1.00 0.65 C ATOM 210 O LYS A 14 -11.338 9.707 2.387 1.00 0.83 O ATOM 211 CB LYS A 14 -13.928 8.010 3.825 1.00 0.74 C ATOM 212 CG LYS A 14 -14.799 6.868 3.296 1.00 1.26 C ATOM 213 CD LYS A 14 -15.905 6.560 4.308 1.00 1.92 C ATOM 214 CE LYS A 14 -17.162 6.096 3.568 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.887 5.238 4.546 1.00 2.80 N ATOM 0 H LYS A 14 -12.509 6.515 5.016 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.442 7.492 2.300 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.952 8.024 4.915 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.321 8.968 3.485 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -15.236 7.144 2.336 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.190 5.980 3.125 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.573 5.787 5.001 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.126 7.447 4.901 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.773 6.943 3.257 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.907 5.539 2.667 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.762 4.881 4.112 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.283 4.436 4.819 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.122 5.797 5.391 1.00 2.80 H new ATOM 229 N SER A 15 -11.560 9.707 4.571 1.00 0.68 N ATOM 230 CA SER A 15 -10.848 11.016 4.686 1.00 0.88 C ATOM 231 C SER A 15 -9.389 10.816 5.115 1.00 0.81 C ATOM 232 O SER A 15 -8.639 11.765 5.236 1.00 1.05 O ATOM 233 CB SER A 15 -11.618 11.790 5.757 1.00 1.10 C ATOM 234 OG SER A 15 -11.322 13.174 5.645 1.00 1.68 O ATOM 0 H SER A 15 -11.873 9.303 5.454 1.00 0.68 H new ATOM 0 HA SER A 15 -10.818 11.544 3.733 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.689 11.626 5.640 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.346 11.428 6.749 1.00 1.10 H new ATOM 0 HG SER A 15 -10.362 13.292 5.489 1.00 1.68 H new ATOM 240 N ASN A 16 -8.974 9.600 5.347 1.00 0.65 N ATOM 241 CA ASN A 16 -7.560 9.370 5.767 1.00 0.68 C ATOM 242 C ASN A 16 -6.704 8.965 4.562 1.00 0.55 C ATOM 243 O ASN A 16 -5.491 9.036 4.601 1.00 0.56 O ATOM 244 CB ASN A 16 -7.629 8.232 6.785 1.00 0.87 C ATOM 245 CG ASN A 16 -6.260 8.053 7.445 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.321 8.754 7.122 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.105 7.137 8.361 1.00 0.98 N ATOM 0 H ASN A 16 -9.548 8.761 5.265 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.105 10.267 6.188 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.383 8.451 7.541 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.931 7.307 6.293 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -5.196 7.009 8.806 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.893 6.549 8.632 1.00 0.98 H new ATOM 254 N PHE A 17 -7.322 8.545 3.491 1.00 0.55 N ATOM 255 CA PHE A 17 -6.538 8.143 2.287 1.00 0.51 C ATOM 256 C PHE A 17 -5.712 9.326 1.776 1.00 0.46 C ATOM 257 O PHE A 17 -4.499 9.332 1.849 1.00 0.52 O ATOM 258 CB PHE A 17 -7.590 7.739 1.249 1.00 0.56 C ATOM 259 CG PHE A 17 -6.924 7.450 -0.079 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.720 6.737 -0.121 1.00 0.78 C ATOM 261 CD2 PHE A 17 -7.512 7.900 -1.266 1.00 0.79 C ATOM 262 CE1 PHE A 17 -5.105 6.472 -1.350 1.00 0.89 C ATOM 263 CE2 PHE A 17 -6.897 7.634 -2.496 1.00 0.90 C ATOM 264 CZ PHE A 17 -5.694 6.920 -2.538 1.00 0.87 C ATOM 0 H PHE A 17 -8.334 8.463 3.397 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.839 7.334 2.499 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.132 6.858 1.593 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.322 8.538 1.132 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.265 6.391 0.796 1.00 0.78 H new ATOM 0 HD2 PHE A 17 -8.440 8.452 -1.234 1.00 0.79 H new ATOM 0 HE1 PHE A 17 -4.176 5.922 -1.382 1.00 0.89 H new ATOM 0 HE2 PHE A 17 -7.351 7.980 -3.413 1.00 0.90 H new ATOM 0 HZ PHE A 17 -5.220 6.715 -3.487 1.00 0.87 H new ATOM 274 N ALA A 18 -6.367 10.324 1.256 1.00 0.52 N ATOM 275 CA ALA A 18 -5.633 11.511 0.732 1.00 0.66 C ATOM 276 C ALA A 18 -4.910 12.243 1.870 1.00 0.59 C ATOM 277 O ALA A 18 -4.073 13.092 1.637 1.00 0.75 O ATOM 278 CB ALA A 18 -6.713 12.405 0.123 1.00 0.84 C ATOM 0 H ALA A 18 -7.382 10.371 1.170 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.871 11.233 0.004 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.253 13.304 -0.286 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.226 11.865 -0.673 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.432 12.684 0.894 1.00 0.84 H new ATOM 284 N GLU A 19 -5.226 11.923 3.097 1.00 0.46 N ATOM 285 CA GLU A 19 -4.555 12.606 4.240 1.00 0.49 C ATOM 286 C GLU A 19 -3.175 11.996 4.491 1.00 0.48 C ATOM 287 O GLU A 19 -2.166 12.671 4.433 1.00 0.56 O ATOM 288 CB GLU A 19 -5.472 12.359 5.436 1.00 0.55 C ATOM 289 CG GLU A 19 -5.018 13.225 6.613 1.00 0.69 C ATOM 290 CD GLU A 19 -5.385 12.533 7.927 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.304 11.731 7.914 1.00 1.66 O ATOM 292 OE2 GLU A 19 -4.740 12.816 8.923 1.00 1.78 O ATOM 0 H GLU A 19 -5.918 11.220 3.356 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.400 13.668 4.052 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -6.503 12.596 5.173 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -5.448 11.306 5.715 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.941 13.388 6.564 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -5.492 14.205 6.561 1.00 0.69 H new ATOM 299 N ALA A 20 -3.124 10.726 4.777 1.00 0.45 N ATOM 300 CA ALA A 20 -1.810 10.071 5.038 1.00 0.53 C ATOM 301 C ALA A 20 -0.861 10.291 3.858 1.00 0.57 C ATOM 302 O ALA A 20 0.331 10.448 4.028 1.00 0.71 O ATOM 303 CB ALA A 20 -2.132 8.585 5.196 1.00 0.57 C ATOM 0 H ALA A 20 -3.935 10.111 4.842 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.316 10.478 5.920 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.213 8.032 5.391 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.821 8.449 6.029 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.592 8.213 4.280 1.00 0.57 H new ATOM 309 N LEU A 21 -1.382 10.301 2.664 1.00 0.55 N ATOM 310 CA LEU A 21 -0.511 10.506 1.471 1.00 0.69 C ATOM 311 C LEU A 21 0.127 11.894 1.513 1.00 0.75 C ATOM 312 O LEU A 21 1.315 12.050 1.308 1.00 0.92 O ATOM 313 CB LEU A 21 -1.450 10.382 0.271 1.00 0.74 C ATOM 314 CG LEU A 21 -1.782 8.906 0.038 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.844 8.788 -1.057 1.00 0.90 C ATOM 316 CD2 LEU A 21 -0.520 8.162 -0.397 1.00 1.44 C ATOM 0 H LEU A 21 -2.374 10.176 2.461 1.00 0.55 H new ATOM 0 HA LEU A 21 0.305 9.785 1.427 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.364 10.948 0.450 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.981 10.806 -0.617 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.162 8.470 0.962 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.080 7.737 -1.223 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.745 9.318 -0.749 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.464 9.225 -1.981 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -0.756 7.111 -0.563 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.140 8.599 -1.321 1.00 1.44 H new ATOM 0 HD23 LEU A 21 0.238 8.245 0.382 1.00 1.44 H new ATOM 328 N ALA A 22 -0.651 12.902 1.778 1.00 0.71 N ATOM 329 CA ALA A 22 -0.092 14.282 1.835 1.00 0.85 C ATOM 330 C ALA A 22 0.926 14.398 2.974 1.00 0.89 C ATOM 331 O ALA A 22 1.732 15.307 3.008 1.00 1.08 O ATOM 332 CB ALA A 22 -1.297 15.184 2.098 1.00 1.00 C ATOM 0 H ALA A 22 -1.652 12.832 1.958 1.00 0.71 H new ATOM 0 HA ALA A 22 0.430 14.554 0.918 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.969 16.222 2.154 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.017 15.074 1.287 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.765 14.900 3.040 1.00 1.00 H new ATOM 338 N ALA A 23 0.898 13.485 3.909 1.00 0.86 N ATOM 339 CA ALA A 23 1.867 13.552 5.042 1.00 0.93 C ATOM 340 C ALA A 23 3.182 12.868 4.660 1.00 0.85 C ATOM 341 O ALA A 23 4.253 13.399 4.876 1.00 0.95 O ATOM 342 CB ALA A 23 1.188 12.802 6.189 1.00 1.05 C ATOM 0 H ALA A 23 0.249 12.699 3.937 1.00 0.86 H new ATOM 0 HA ALA A 23 2.112 14.579 5.313 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.840 12.806 7.063 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.246 13.291 6.436 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.994 11.773 5.886 1.00 1.05 H new ATOM 348 N HIS A 24 3.113 11.693 4.095 1.00 0.83 N ATOM 349 CA HIS A 24 4.365 10.982 3.706 1.00 0.84 C ATOM 350 C HIS A 24 4.573 11.060 2.192 1.00 0.82 C ATOM 351 O HIS A 24 3.729 11.536 1.461 1.00 1.30 O ATOM 352 CB HIS A 24 4.150 9.531 4.141 1.00 0.95 C ATOM 353 CG HIS A 24 4.609 9.361 5.563 1.00 1.22 C ATOM 354 ND1 HIS A 24 3.735 9.032 6.587 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.848 9.468 6.146 1.00 1.84 C ATOM 356 CE1 HIS A 24 4.453 8.954 7.723 1.00 2.04 C ATOM 357 NE2 HIS A 24 5.747 9.211 7.510 1.00 2.00 N ATOM 0 H HIS A 24 2.247 11.196 3.886 1.00 0.83 H new ATOM 0 HA HIS A 24 5.248 11.422 4.171 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.096 9.266 4.054 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.703 8.858 3.486 1.00 0.95 H new ATOM 0 HD2 HIS A 24 6.762 9.714 5.625 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.034 8.713 8.689 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.499 9.217 8.199 1.00 2.00 H new ATOM 365 N LYS A 25 5.695 10.591 1.716 1.00 0.72 N ATOM 366 CA LYS A 25 5.961 10.634 0.251 1.00 0.69 C ATOM 367 C LYS A 25 5.748 9.248 -0.362 1.00 0.59 C ATOM 368 O LYS A 25 4.770 9.003 -1.041 1.00 0.68 O ATOM 369 CB LYS A 25 7.424 11.059 0.126 1.00 0.81 C ATOM 370 CG LYS A 25 7.498 12.570 -0.100 1.00 1.20 C ATOM 371 CD LYS A 25 7.809 13.269 1.225 1.00 1.51 C ATOM 372 CE LYS A 25 6.548 13.958 1.748 1.00 2.06 C ATOM 373 NZ LYS A 25 7.043 15.126 2.528 1.00 2.47 N ATOM 0 H LYS A 25 6.439 10.180 2.280 1.00 0.72 H new ATOM 0 HA LYS A 25 5.294 11.319 -0.272 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.971 10.788 1.029 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.897 10.533 -0.703 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.269 12.801 -0.835 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.553 12.935 -0.503 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.169 12.544 1.955 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.604 14.001 1.084 1.00 1.51 H new ATOM 0 HE2 LYS A 25 5.903 14.275 0.929 1.00 2.06 H new ATOM 0 HE3 LYS A 25 5.961 13.285 2.374 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 6.234 15.650 2.920 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 7.649 14.793 3.305 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 7.592 15.752 1.905 1.00 2.47 H new ATOM 387 N TYR A 26 6.652 8.339 -0.122 1.00 0.52 N ATOM 388 CA TYR A 26 6.496 6.969 -0.687 1.00 0.48 C ATOM 389 C TYR A 26 5.479 6.180 0.139 1.00 0.46 C ATOM 390 O TYR A 26 5.803 5.614 1.164 1.00 0.53 O ATOM 391 CB TYR A 26 7.883 6.335 -0.572 1.00 0.56 C ATOM 392 CG TYR A 26 8.709 6.676 -1.794 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.649 7.966 -2.335 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.529 5.707 -2.390 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.408 8.290 -3.465 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.287 6.031 -3.521 1.00 1.31 C ATOM 397 CZ TYR A 26 10.250 7.292 -4.051 1.00 1.08 C ATOM 398 OH TYR A 26 10.973 7.639 -5.175 1.00 1.33 O ATOM 0 H TYR A 26 7.491 8.485 0.440 1.00 0.52 H new ATOM 0 HA TYR A 26 6.137 6.980 -1.716 1.00 0.48 H new ATOM 0 HB2 TYR A 26 8.383 6.694 0.327 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.791 5.253 -0.475 1.00 0.56 H new ATOM 0 HD1 TYR A 26 8.016 8.713 -1.879 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.576 4.711 -1.976 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.359 9.282 -3.890 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.908 5.277 -3.981 1.00 1.31 H new ATOM 0 HH TYR A 26 11.652 6.955 -5.351 1.00 1.33 H new ATOM 408 N LEU A 27 4.250 6.144 -0.294 1.00 0.46 N ATOM 409 CA LEU A 27 3.216 5.396 0.476 1.00 0.45 C ATOM 410 C LEU A 27 2.488 4.405 -0.432 1.00 0.40 C ATOM 411 O LEU A 27 2.104 4.727 -1.538 1.00 0.50 O ATOM 412 CB LEU A 27 2.247 6.465 0.975 1.00 0.51 C ATOM 413 CG LEU A 27 1.576 5.981 2.261 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.512 6.229 3.446 1.00 0.66 C ATOM 415 CD2 LEU A 27 0.268 6.745 2.472 1.00 1.93 C ATOM 0 H LEU A 27 3.917 6.598 -1.144 1.00 0.46 H new ATOM 0 HA LEU A 27 3.651 4.819 1.292 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.780 7.398 1.159 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.494 6.673 0.215 1.00 0.51 H new ATOM 0 HG LEU A 27 1.363 4.915 2.183 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.036 5.885 4.364 1.00 0.66 H new ATOM 0 HD12 LEU A 27 3.444 5.684 3.294 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.724 7.295 3.525 1.00 0.66 H new ATOM 0 HD21 LEU A 27 -0.211 6.400 3.389 1.00 1.93 H new ATOM 0 HD22 LEU A 27 0.478 7.812 2.551 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.397 6.568 1.627 1.00 1.93 H new ATOM 427 N LEU A 28 2.287 3.203 0.032 1.00 0.33 N ATOM 428 CA LEU A 28 1.572 2.197 -0.804 1.00 0.32 C ATOM 429 C LEU A 28 0.160 1.976 -0.261 1.00 0.29 C ATOM 430 O LEU A 28 -0.071 2.022 0.931 1.00 0.35 O ATOM 431 CB LEU A 28 2.391 0.914 -0.685 1.00 0.40 C ATOM 432 CG LEU A 28 2.046 -0.011 -1.851 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.739 0.490 -3.116 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.519 -1.430 -1.531 1.00 1.12 C ATOM 0 H LEU A 28 2.585 2.874 0.950 1.00 0.33 H new ATOM 0 HA LEU A 28 1.476 2.520 -1.840 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.456 1.146 -0.692 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.179 0.419 0.263 1.00 0.40 H new ATOM 0 HG LEU A 28 0.967 -0.017 -2.008 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.495 -0.168 -3.950 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.400 1.501 -3.341 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.818 0.495 -2.962 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.274 -2.091 -2.362 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.598 -1.428 -1.376 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.023 -1.784 -0.627 1.00 1.12 H new ATOM 446 N VAL A 29 -0.786 1.731 -1.123 1.00 0.32 N ATOM 447 CA VAL A 29 -2.179 1.504 -0.646 1.00 0.32 C ATOM 448 C VAL A 29 -2.795 0.311 -1.379 1.00 0.34 C ATOM 449 O VAL A 29 -2.798 0.248 -2.592 1.00 0.47 O ATOM 450 CB VAL A 29 -2.940 2.789 -0.979 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.332 2.725 -0.349 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.188 4.000 -0.421 1.00 0.77 C ATOM 0 H VAL A 29 -0.657 1.678 -2.133 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.216 1.281 0.420 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.025 2.888 -2.061 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.879 3.638 -0.583 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.872 1.866 -0.747 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.238 2.625 0.732 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.736 4.911 -0.662 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.099 3.906 0.661 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.193 4.047 -0.864 1.00 0.77 H new ATOM 462 N GLU A 30 -3.315 -0.636 -0.650 1.00 0.32 N ATOM 463 CA GLU A 30 -3.929 -1.825 -1.302 1.00 0.39 C ATOM 464 C GLU A 30 -5.435 -1.853 -1.016 1.00 0.36 C ATOM 465 O GLU A 30 -5.899 -1.336 -0.019 1.00 0.42 O ATOM 466 CB GLU A 30 -3.206 -3.025 -0.677 1.00 0.52 C ATOM 467 CG GLU A 30 -3.956 -4.325 -0.988 1.00 0.64 C ATOM 468 CD GLU A 30 -3.257 -5.494 -0.290 1.00 0.89 C ATOM 469 OE1 GLU A 30 -3.228 -5.499 0.929 1.00 1.48 O ATOM 470 OE2 GLU A 30 -2.763 -6.363 -0.988 1.00 1.60 O ATOM 0 H GLU A 30 -3.341 -0.638 0.370 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.825 -1.823 -2.387 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.188 -3.085 -1.062 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.131 -2.890 0.402 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.990 -4.251 -0.651 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.983 -4.494 -2.065 1.00 0.64 H new ATOM 477 N PHE A 31 -6.202 -2.430 -1.899 1.00 0.35 N ATOM 478 CA PHE A 31 -7.676 -2.466 -1.700 1.00 0.36 C ATOM 479 C PHE A 31 -8.215 -3.900 -1.759 1.00 0.39 C ATOM 480 O PHE A 31 -8.258 -4.509 -2.809 1.00 0.49 O ATOM 481 CB PHE A 31 -8.218 -1.663 -2.877 1.00 0.41 C ATOM 482 CG PHE A 31 -8.111 -0.189 -2.574 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.903 0.479 -2.802 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.214 0.511 -2.071 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.795 1.845 -2.524 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.106 1.880 -1.793 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.896 2.547 -2.020 1.00 0.53 C ATOM 0 H PHE A 31 -5.869 -2.879 -2.752 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.968 -2.070 -0.727 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.658 -1.901 -3.781 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.257 -1.932 -3.066 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.053 -0.061 -3.193 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.147 -0.004 -1.897 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.861 2.359 -2.698 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.956 2.421 -1.404 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.812 3.602 -1.806 1.00 0.53 H new ATOM 497 N TYR A 32 -8.650 -4.440 -0.650 1.00 0.37 N ATOM 498 CA TYR A 32 -9.209 -5.826 -0.681 1.00 0.44 C ATOM 499 C TYR A 32 -10.197 -6.046 0.466 1.00 0.40 C ATOM 500 O TYR A 32 -10.584 -5.128 1.160 1.00 0.45 O ATOM 501 CB TYR A 32 -8.007 -6.772 -0.554 1.00 0.54 C ATOM 502 CG TYR A 32 -7.449 -6.742 0.854 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.856 -5.577 1.352 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.533 -7.884 1.658 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.346 -5.556 2.655 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.024 -7.862 2.961 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.431 -6.699 3.460 1.00 0.77 C ATOM 508 OH TYR A 32 -5.928 -6.677 4.745 1.00 0.94 O ATOM 0 H TYR A 32 -8.643 -3.989 0.265 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.761 -6.007 -1.603 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.309 -7.788 -0.809 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.233 -6.481 -1.264 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.792 -4.695 0.732 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.991 -8.783 1.273 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.886 -4.658 3.040 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.089 -8.744 3.581 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.069 -7.550 5.166 1.00 0.94 H new ATOM 518 N ALA A 33 -10.601 -7.267 0.661 1.00 0.40 N ATOM 519 CA ALA A 33 -11.562 -7.576 1.758 1.00 0.44 C ATOM 520 C ALA A 33 -11.275 -8.967 2.336 1.00 0.53 C ATOM 521 O ALA A 33 -10.560 -9.747 1.738 1.00 0.56 O ATOM 522 CB ALA A 33 -12.938 -7.550 1.093 1.00 0.49 C ATOM 0 H ALA A 33 -10.307 -8.071 0.106 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.491 -6.867 2.583 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.705 -7.769 1.836 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.117 -6.563 0.666 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.974 -8.299 0.302 1.00 0.49 H new ATOM 528 N PRO A 34 -11.851 -9.242 3.480 1.00 0.63 N ATOM 529 CA PRO A 34 -11.656 -10.564 4.125 1.00 0.78 C ATOM 530 C PRO A 34 -12.314 -11.657 3.281 1.00 0.82 C ATOM 531 O PRO A 34 -11.846 -12.777 3.220 1.00 0.96 O ATOM 532 CB PRO A 34 -12.352 -10.412 5.476 1.00 0.90 C ATOM 533 CG PRO A 34 -13.354 -9.322 5.263 1.00 0.81 C ATOM 534 CD PRO A 34 -12.743 -8.375 4.266 1.00 0.66 C ATOM 0 HA PRO A 34 -10.609 -10.848 4.230 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.835 -11.341 5.780 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.642 -10.150 6.261 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.295 -9.726 4.889 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.577 -8.810 6.199 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.502 -7.905 3.640 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.193 -7.572 4.758 1.00 0.66 H new ATOM 542 N TRP A 35 -13.389 -11.334 2.617 1.00 0.74 N ATOM 543 CA TRP A 35 -14.070 -12.348 1.762 1.00 0.83 C ATOM 544 C TRP A 35 -13.414 -12.406 0.375 1.00 0.78 C ATOM 545 O TRP A 35 -13.766 -13.227 -0.450 1.00 0.92 O ATOM 546 CB TRP A 35 -15.522 -11.878 1.655 1.00 0.91 C ATOM 547 CG TRP A 35 -15.574 -10.524 1.018 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.681 -9.354 1.689 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.534 -10.181 -0.399 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.702 -8.315 0.776 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.615 -8.773 -0.523 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.433 -10.944 -1.574 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.598 -8.145 -1.768 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.416 -10.316 -2.831 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.498 -8.920 -2.927 1.00 2.26 C ATOM 0 H TRP A 35 -13.826 -10.412 2.629 1.00 0.74 H new ATOM 0 HA TRP A 35 -14.001 -13.351 2.184 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -16.101 -12.589 1.066 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.975 -11.841 2.646 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.740 -9.248 2.762 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.773 -7.330 1.032 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.368 -12.020 -1.511 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.662 -7.069 -1.836 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.339 -10.912 -3.728 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.484 -8.443 -3.896 1.00 2.26 H new ATOM 566 N CYS A 36 -12.459 -11.547 0.109 1.00 0.65 N ATOM 567 CA CYS A 36 -11.783 -11.563 -1.222 1.00 0.67 C ATOM 568 C CYS A 36 -11.349 -12.993 -1.582 1.00 0.84 C ATOM 569 O CYS A 36 -11.215 -13.336 -2.739 1.00 1.63 O ATOM 570 CB CYS A 36 -10.570 -10.641 -1.040 1.00 0.58 C ATOM 571 SG CYS A 36 -9.483 -10.730 -2.488 1.00 1.07 S ATOM 0 H CYS A 36 -12.120 -10.836 0.758 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.431 -11.230 -2.033 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.905 -9.614 -0.892 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -10.018 -10.929 -0.145 1.00 0.58 H new ATOM 576 N GLY A 37 -11.131 -13.826 -0.601 1.00 0.96 N ATOM 577 CA GLY A 37 -10.711 -15.227 -0.892 1.00 1.08 C ATOM 578 C GLY A 37 -9.256 -15.240 -1.365 1.00 1.00 C ATOM 579 O GLY A 37 -8.882 -14.525 -2.275 1.00 1.83 O ATOM 0 H GLY A 37 -11.225 -13.598 0.389 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.819 -15.842 0.001 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -11.356 -15.659 -1.657 1.00 1.08 H new ATOM 583 N HIS A 38 -8.429 -16.049 -0.755 1.00 0.89 N ATOM 584 CA HIS A 38 -6.993 -16.109 -1.166 1.00 0.97 C ATOM 585 C HIS A 38 -6.361 -14.717 -1.117 1.00 0.88 C ATOM 586 O HIS A 38 -5.346 -14.460 -1.734 1.00 1.13 O ATOM 587 CB HIS A 38 -7.013 -16.633 -2.600 1.00 1.32 C ATOM 588 CG HIS A 38 -6.589 -18.076 -2.615 1.00 1.72 C ATOM 589 ND1 HIS A 38 -7.471 -19.102 -2.916 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.382 -18.680 -2.366 1.00 2.35 C ATOM 591 CE1 HIS A 38 -6.788 -20.259 -2.839 1.00 2.85 C ATOM 592 NE2 HIS A 38 -5.510 -20.059 -2.507 1.00 2.87 N ATOM 0 H HIS A 38 -8.686 -16.672 0.011 1.00 0.89 H new ATOM 0 HA HIS A 38 -6.406 -16.745 -0.504 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -8.014 -16.533 -3.021 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.344 -16.040 -3.224 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.471 -18.164 -2.101 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -7.221 -21.231 -3.023 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -4.784 -20.765 -2.383 1.00 2.87 H new ATOM 600 N CYS A 39 -6.952 -13.818 -0.384 1.00 0.79 N ATOM 601 CA CYS A 39 -6.390 -12.443 -0.284 1.00 0.88 C ATOM 602 C CYS A 39 -5.575 -12.313 1.005 1.00 0.82 C ATOM 603 O CYS A 39 -4.665 -11.513 1.101 1.00 1.00 O ATOM 604 CB CYS A 39 -7.612 -11.524 -0.250 1.00 1.08 C ATOM 605 SG CYS A 39 -7.631 -10.478 -1.728 1.00 1.00 S ATOM 0 H CYS A 39 -7.804 -13.976 0.153 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.723 -12.197 -1.110 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -8.525 -12.118 -0.202 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -7.588 -10.904 0.646 1.00 1.08 H new ATOM 610 N LYS A 40 -5.897 -13.101 1.995 1.00 0.78 N ATOM 611 CA LYS A 40 -5.145 -13.035 3.280 1.00 0.94 C ATOM 612 C LYS A 40 -3.832 -13.820 3.172 1.00 0.84 C ATOM 613 O LYS A 40 -2.943 -13.672 3.986 1.00 0.94 O ATOM 614 CB LYS A 40 -6.073 -13.671 4.322 1.00 1.21 C ATOM 615 CG LYS A 40 -6.307 -15.152 3.992 1.00 1.56 C ATOM 616 CD LYS A 40 -5.170 -15.992 4.571 1.00 2.11 C ATOM 617 CE LYS A 40 -5.706 -17.366 4.979 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.433 -17.131 6.258 1.00 3.29 N ATOM 0 H LYS A 40 -6.650 -13.789 1.969 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.878 -12.012 3.547 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.634 -13.577 5.315 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -7.025 -13.141 4.343 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -7.261 -15.480 4.404 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.361 -15.290 2.912 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -4.375 -16.104 3.834 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -4.735 -15.489 5.434 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.370 -17.773 4.216 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.895 -18.083 5.111 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.961 -17.649 7.026 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.433 -16.114 6.475 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.413 -17.465 6.167 1.00 3.29 H new ATOM 632 N ALA A 41 -3.704 -14.657 2.175 1.00 0.77 N ATOM 633 CA ALA A 41 -2.450 -15.451 2.023 1.00 0.86 C ATOM 634 C ALA A 41 -1.219 -14.539 2.084 1.00 0.75 C ATOM 635 O ALA A 41 -0.170 -14.931 2.555 1.00 0.90 O ATOM 636 CB ALA A 41 -2.564 -16.106 0.646 1.00 0.93 C ATOM 0 H ALA A 41 -4.413 -14.824 1.461 1.00 0.77 H new ATOM 0 HA ALA A 41 -2.332 -16.185 2.820 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.677 -16.711 0.456 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -3.449 -16.741 0.617 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.647 -15.334 -0.119 1.00 0.93 H new ATOM 642 N LEU A 42 -1.336 -13.328 1.609 1.00 0.65 N ATOM 643 CA LEU A 42 -0.166 -12.400 1.639 1.00 0.67 C ATOM 644 C LEU A 42 -0.379 -11.310 2.696 1.00 0.63 C ATOM 645 O LEU A 42 -0.158 -10.141 2.448 1.00 0.70 O ATOM 646 CB LEU A 42 -0.113 -11.787 0.240 1.00 0.82 C ATOM 647 CG LEU A 42 1.210 -11.043 0.063 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.312 -12.040 -0.300 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.069 -10.009 -1.057 1.00 1.37 C ATOM 0 H LEU A 42 -2.188 -12.941 1.203 1.00 0.65 H new ATOM 0 HA LEU A 42 0.761 -12.913 1.896 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.208 -12.567 -0.515 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.950 -11.103 0.099 1.00 0.82 H new ATOM 0 HG LEU A 42 1.469 -10.538 0.993 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.256 -11.509 -0.426 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.414 -12.776 0.497 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.053 -12.546 -1.230 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.013 -9.478 -1.183 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.809 -10.514 -1.988 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.284 -9.298 -0.799 1.00 1.37 H new ATOM 661 N ALA A 43 -0.811 -11.684 3.868 1.00 0.71 N ATOM 662 CA ALA A 43 -1.046 -10.672 4.939 1.00 0.73 C ATOM 663 C ALA A 43 0.254 -10.342 5.690 1.00 0.67 C ATOM 664 O ALA A 43 0.575 -9.185 5.873 1.00 0.65 O ATOM 665 CB ALA A 43 -2.054 -11.328 5.884 1.00 0.88 C ATOM 0 H ALA A 43 -1.012 -12.648 4.132 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.409 -9.730 4.529 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.282 -10.646 6.703 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.969 -11.557 5.338 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.631 -12.249 6.285 1.00 0.88 H new ATOM 671 N PRO A 44 0.957 -11.364 6.118 1.00 0.69 N ATOM 672 CA PRO A 44 2.216 -11.144 6.868 1.00 0.70 C ATOM 673 C PRO A 44 3.364 -10.773 5.924 1.00 0.59 C ATOM 674 O PRO A 44 4.412 -10.341 6.356 1.00 0.65 O ATOM 675 CB PRO A 44 2.473 -12.487 7.541 1.00 0.83 C ATOM 676 CG PRO A 44 1.768 -13.499 6.691 1.00 0.84 C ATOM 677 CD PRO A 44 0.651 -12.794 5.963 1.00 0.76 C ATOM 0 HA PRO A 44 2.144 -10.321 7.579 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.541 -12.699 7.600 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.089 -12.495 8.561 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.461 -13.951 5.981 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.372 -14.306 7.307 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.618 -13.081 4.912 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.320 -13.041 6.391 1.00 0.76 H new ATOM 685 N GLU A 45 3.175 -10.920 4.641 1.00 0.53 N ATOM 686 CA GLU A 45 4.257 -10.555 3.690 1.00 0.46 C ATOM 687 C GLU A 45 4.092 -9.090 3.296 1.00 0.41 C ATOM 688 O GLU A 45 5.038 -8.405 2.984 1.00 0.47 O ATOM 689 CB GLU A 45 4.056 -11.471 2.482 1.00 0.48 C ATOM 690 CG GLU A 45 4.160 -12.931 2.927 1.00 0.61 C ATOM 691 CD GLU A 45 5.475 -13.527 2.420 1.00 1.12 C ATOM 692 OE1 GLU A 45 6.512 -13.161 2.949 1.00 1.83 O ATOM 693 OE2 GLU A 45 5.423 -14.341 1.512 1.00 1.90 O ATOM 0 H GLU A 45 2.320 -11.276 4.213 1.00 0.53 H new ATOM 0 HA GLU A 45 5.255 -10.674 4.111 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.082 -11.286 2.030 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.806 -11.257 1.721 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.115 -12.995 4.014 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.316 -13.502 2.539 1.00 0.61 H new ATOM 700 N TYR A 46 2.885 -8.606 3.325 1.00 0.43 N ATOM 701 CA TYR A 46 2.641 -7.186 2.967 1.00 0.48 C ATOM 702 C TYR A 46 3.116 -6.278 4.120 1.00 0.52 C ATOM 703 O TYR A 46 3.351 -5.100 3.934 1.00 0.69 O ATOM 704 CB TYR A 46 1.111 -7.126 2.735 1.00 0.64 C ATOM 705 CG TYR A 46 0.509 -5.839 3.264 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.096 -5.747 4.598 1.00 1.03 C ATOM 707 CD2 TYR A 46 0.358 -4.746 2.406 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.468 -4.558 5.073 1.00 1.39 C ATOM 709 CE2 TYR A 46 -0.204 -3.555 2.880 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.587 -3.468 4.266 1.00 1.50 C ATOM 711 OH TYR A 46 -1.175 -2.288 4.682 1.00 1.95 O ATOM 0 H TYR A 46 2.053 -9.136 3.583 1.00 0.43 H new ATOM 0 HA TYR A 46 3.182 -6.840 2.086 1.00 0.48 H new ATOM 0 HB2 TYR A 46 0.902 -7.213 1.669 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.636 -7.977 3.224 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.212 -6.593 5.260 1.00 1.03 H new ATOM 0 HD2 TYR A 46 0.675 -4.821 1.376 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.814 -4.504 6.095 1.00 1.39 H new ATOM 0 HE2 TYR A 46 -0.348 -2.715 2.217 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.489 -1.594 4.772 1.00 1.95 H new ATOM 721 N ALA A 47 3.242 -6.813 5.305 1.00 0.53 N ATOM 722 CA ALA A 47 3.684 -5.972 6.456 1.00 0.62 C ATOM 723 C ALA A 47 5.186 -6.138 6.716 1.00 0.58 C ATOM 724 O ALA A 47 5.785 -5.364 7.437 1.00 0.68 O ATOM 725 CB ALA A 47 2.875 -6.485 7.647 1.00 0.73 C ATOM 0 H ALA A 47 3.059 -7.792 5.526 1.00 0.53 H new ATOM 0 HA ALA A 47 3.522 -4.911 6.269 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.141 -5.917 8.539 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.811 -6.364 7.443 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.096 -7.540 7.809 1.00 0.73 H new ATOM 731 N LYS A 48 5.802 -7.139 6.148 1.00 0.51 N ATOM 732 CA LYS A 48 7.263 -7.340 6.383 1.00 0.55 C ATOM 733 C LYS A 48 8.095 -6.540 5.375 1.00 0.53 C ATOM 734 O LYS A 48 9.268 -6.299 5.580 1.00 0.65 O ATOM 735 CB LYS A 48 7.490 -8.839 6.187 1.00 0.60 C ATOM 736 CG LYS A 48 7.426 -9.547 7.543 1.00 1.03 C ATOM 737 CD LYS A 48 7.078 -11.021 7.328 1.00 1.41 C ATOM 738 CE LYS A 48 8.361 -11.824 7.116 1.00 1.92 C ATOM 739 NZ LYS A 48 8.099 -13.141 7.760 1.00 2.47 N ATOM 0 H LYS A 48 5.361 -7.824 5.534 1.00 0.51 H new ATOM 0 HA LYS A 48 7.564 -7.000 7.374 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.735 -9.247 5.516 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.459 -9.013 5.719 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.383 -9.459 8.058 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.677 -9.074 8.178 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.534 -11.406 8.190 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.423 -11.128 6.464 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.584 -11.940 6.055 1.00 1.92 H new ATOM 0 HE3 LYS A 48 9.218 -11.326 7.569 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.935 -13.750 7.657 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.897 -12.999 8.770 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.282 -13.594 7.303 1.00 2.47 H new ATOM 753 N ALA A 49 7.505 -6.132 4.286 1.00 0.47 N ATOM 754 CA ALA A 49 8.273 -5.357 3.269 1.00 0.50 C ATOM 755 C ALA A 49 8.788 -4.049 3.870 1.00 0.53 C ATOM 756 O ALA A 49 9.950 -3.713 3.750 1.00 0.65 O ATOM 757 CB ALA A 49 7.273 -5.078 2.147 1.00 0.55 C ATOM 0 H ALA A 49 6.526 -6.301 4.056 1.00 0.47 H new ATOM 0 HA ALA A 49 9.147 -5.901 2.911 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.762 -4.509 1.357 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.908 -6.022 1.742 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.435 -4.504 2.541 1.00 0.55 H new ATOM 763 N ALA A 50 7.934 -3.312 4.516 1.00 0.54 N ATOM 764 CA ALA A 50 8.370 -2.023 5.128 1.00 0.65 C ATOM 765 C ALA A 50 9.374 -2.275 6.261 1.00 0.65 C ATOM 766 O ALA A 50 10.009 -1.361 6.750 1.00 0.77 O ATOM 767 CB ALA A 50 7.091 -1.396 5.682 1.00 0.76 C ATOM 0 H ALA A 50 6.950 -3.544 4.649 1.00 0.54 H new ATOM 0 HA ALA A 50 8.867 -1.376 4.405 1.00 0.65 H new ATOM 0 HB1 ALA A 50 7.327 -0.441 6.151 1.00 0.76 H new ATOM 0 HB2 ALA A 50 6.383 -1.236 4.869 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.649 -2.064 6.422 1.00 0.76 H new ATOM 773 N GLY A 51 9.517 -3.500 6.691 1.00 0.59 N ATOM 774 CA GLY A 51 10.472 -3.791 7.799 1.00 0.69 C ATOM 775 C GLY A 51 11.860 -4.108 7.237 1.00 0.78 C ATOM 776 O GLY A 51 12.861 -3.903 7.896 1.00 0.90 O ATOM 0 H GLY A 51 9.016 -4.309 6.324 1.00 0.59 H new ATOM 0 HA2 GLY A 51 10.531 -2.935 8.471 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.110 -4.634 8.388 1.00 0.69 H new ATOM 780 N LYS A 52 11.940 -4.609 6.035 1.00 0.80 N ATOM 781 CA LYS A 52 13.279 -4.936 5.465 1.00 1.01 C ATOM 782 C LYS A 52 14.127 -3.657 5.336 1.00 1.12 C ATOM 783 O LYS A 52 15.340 -3.708 5.269 1.00 1.31 O ATOM 784 CB LYS A 52 12.986 -5.606 4.104 1.00 1.15 C ATOM 785 CG LYS A 52 12.864 -4.574 2.973 1.00 1.49 C ATOM 786 CD LYS A 52 14.169 -4.555 2.171 1.00 1.97 C ATOM 787 CE LYS A 52 14.822 -3.177 2.287 1.00 2.64 C ATOM 788 NZ LYS A 52 16.240 -3.459 2.641 1.00 3.08 N ATOM 0 H LYS A 52 11.145 -4.805 5.427 1.00 0.80 H new ATOM 0 HA LYS A 52 13.862 -5.605 6.098 1.00 1.01 H new ATOM 0 HB2 LYS A 52 13.783 -6.311 3.868 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.062 -6.180 4.173 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.026 -4.826 2.323 1.00 1.49 H new ATOM 0 HG3 LYS A 52 12.661 -3.586 3.386 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.848 -5.323 2.543 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.968 -4.787 1.125 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.750 -2.625 1.350 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.336 -2.572 3.052 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.829 -2.637 2.397 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 16.312 -3.646 3.661 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 16.571 -4.291 2.112 1.00 3.08 H new ATOM 802 N LEU A 53 13.493 -2.514 5.309 1.00 1.12 N ATOM 803 CA LEU A 53 14.255 -1.236 5.194 1.00 1.33 C ATOM 804 C LEU A 53 14.324 -0.526 6.553 1.00 1.30 C ATOM 805 O LEU A 53 15.065 0.421 6.727 1.00 1.50 O ATOM 806 CB LEU A 53 13.472 -0.390 4.188 1.00 1.55 C ATOM 807 CG LEU A 53 12.082 -0.079 4.747 1.00 1.47 C ATOM 808 CD1 LEU A 53 12.001 1.404 5.112 1.00 2.07 C ATOM 809 CD2 LEU A 53 11.026 -0.407 3.691 1.00 1.82 C ATOM 0 H LEU A 53 12.480 -2.411 5.362 1.00 1.12 H new ATOM 0 HA LEU A 53 15.283 -1.403 4.873 1.00 1.33 H new ATOM 0 HB2 LEU A 53 14.008 0.537 3.983 1.00 1.55 H new ATOM 0 HB3 LEU A 53 13.383 -0.923 3.241 1.00 1.55 H new ATOM 0 HG LEU A 53 11.902 -0.681 5.638 1.00 1.47 H new ATOM 0 HD11 LEU A 53 11.011 1.627 5.510 1.00 2.07 H new ATOM 0 HD12 LEU A 53 12.755 1.635 5.864 1.00 2.07 H new ATOM 0 HD13 LEU A 53 12.179 2.008 4.222 1.00 2.07 H new ATOM 0 HD21 LEU A 53 10.035 -0.186 4.087 1.00 1.82 H new ATOM 0 HD22 LEU A 53 11.203 0.195 2.800 1.00 1.82 H new ATOM 0 HD23 LEU A 53 11.086 -1.464 3.432 1.00 1.82 H new ATOM 821 N LYS A 54 13.557 -0.970 7.518 1.00 1.20 N ATOM 822 CA LYS A 54 13.584 -0.313 8.861 1.00 1.35 C ATOM 823 C LYS A 54 15.028 -0.156 9.344 1.00 1.40 C ATOM 824 O LYS A 54 15.429 0.893 9.806 1.00 1.67 O ATOM 825 CB LYS A 54 12.811 -1.258 9.780 1.00 1.46 C ATOM 826 CG LYS A 54 12.606 -0.594 11.145 1.00 1.91 C ATOM 827 CD LYS A 54 13.619 -1.154 12.145 1.00 2.50 C ATOM 828 CE LYS A 54 12.901 -2.069 13.140 1.00 2.87 C ATOM 829 NZ LYS A 54 13.949 -3.013 13.617 1.00 3.88 N ATOM 0 H LYS A 54 12.914 -1.758 7.434 1.00 1.20 H new ATOM 0 HA LYS A 54 13.146 0.685 8.841 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.847 -1.505 9.336 1.00 1.46 H new ATOM 0 HB3 LYS A 54 13.357 -2.194 9.898 1.00 1.46 H new ATOM 0 HG2 LYS A 54 12.725 0.486 11.057 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.591 -0.775 11.500 1.00 1.91 H new ATOM 0 HD2 LYS A 54 14.396 -1.709 11.620 1.00 2.50 H new ATOM 0 HD3 LYS A 54 14.112 -0.339 12.675 1.00 2.50 H new ATOM 0 HE2 LYS A 54 12.477 -1.499 13.967 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.077 -2.601 12.664 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 13.534 -3.674 14.304 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 14.329 -3.547 12.809 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 14.717 -2.479 14.071 1.00 3.88 H new ATOM 843 N ALA A 55 15.813 -1.192 9.234 1.00 1.63 N ATOM 844 CA ALA A 55 17.232 -1.100 9.680 1.00 2.20 C ATOM 845 C ALA A 55 17.997 -0.121 8.785 1.00 2.03 C ATOM 846 O ALA A 55 18.962 0.489 9.199 1.00 2.38 O ATOM 847 CB ALA A 55 17.789 -2.515 9.530 1.00 2.78 C ATOM 0 H ALA A 55 15.534 -2.097 8.855 1.00 1.63 H new ATOM 0 HA ALA A 55 17.324 -0.737 10.704 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.834 -2.529 9.840 1.00 2.78 H new ATOM 0 HB2 ALA A 55 17.216 -3.200 10.155 1.00 2.78 H new ATOM 0 HB3 ALA A 55 17.715 -2.826 8.488 1.00 2.78 H new ATOM 853 N GLU A 56 17.568 0.035 7.562 1.00 1.67 N ATOM 854 CA GLU A 56 18.265 0.978 6.641 1.00 1.70 C ATOM 855 C GLU A 56 17.947 2.421 7.029 1.00 1.53 C ATOM 856 O GLU A 56 18.829 3.217 7.282 1.00 1.98 O ATOM 857 CB GLU A 56 17.712 0.659 5.252 1.00 1.99 C ATOM 858 CG GLU A 56 18.677 -0.278 4.521 1.00 2.69 C ATOM 859 CD GLU A 56 19.578 0.539 3.592 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.079 1.021 2.589 1.00 3.63 O ATOM 861 OE2 GLU A 56 20.751 0.667 3.900 1.00 3.64 O ATOM 0 H GLU A 56 16.765 -0.450 7.161 1.00 1.67 H new ATOM 0 HA GLU A 56 19.349 0.870 6.680 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.731 0.193 5.338 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.579 1.578 4.682 1.00 1.99 H new ATOM 0 HG2 GLU A 56 19.283 -0.827 5.242 1.00 2.69 H new ATOM 0 HG3 GLU A 56 18.118 -1.016 3.946 1.00 2.69 H new ATOM 868 N GLY A 57 16.691 2.759 7.082 1.00 1.58 N ATOM 869 CA GLY A 57 16.309 4.149 7.460 1.00 2.25 C ATOM 870 C GLY A 57 15.603 4.831 6.286 1.00 1.97 C ATOM 871 O GLY A 57 15.601 6.041 6.172 1.00 2.50 O ATOM 0 H GLY A 57 15.911 2.134 6.880 1.00 1.58 H new ATOM 0 HA2 GLY A 57 15.653 4.132 8.330 1.00 2.25 H new ATOM 0 HA3 GLY A 57 17.196 4.716 7.741 1.00 2.25 H new ATOM 875 N SER A 58 15.000 4.072 5.412 1.00 1.30 N ATOM 876 CA SER A 58 14.295 4.692 4.255 1.00 1.23 C ATOM 877 C SER A 58 13.033 5.408 4.738 1.00 1.03 C ATOM 878 O SER A 58 12.634 5.280 5.878 1.00 1.27 O ATOM 879 CB SER A 58 13.935 3.522 3.338 1.00 1.53 C ATOM 880 OG SER A 58 14.478 3.750 2.045 1.00 2.13 O ATOM 0 H SER A 58 14.965 3.053 5.449 1.00 1.30 H new ATOM 0 HA SER A 58 14.907 5.434 3.742 1.00 1.23 H new ATOM 0 HB2 SER A 58 14.325 2.591 3.749 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.852 3.415 3.276 1.00 1.53 H new ATOM 0 HG SER A 58 14.249 3.000 1.457 1.00 2.13 H new ATOM 886 N GLU A 59 12.400 6.159 3.881 1.00 0.85 N ATOM 887 CA GLU A 59 11.165 6.879 4.290 1.00 0.87 C ATOM 888 C GLU A 59 9.951 6.308 3.549 1.00 0.76 C ATOM 889 O GLU A 59 8.893 6.906 3.517 1.00 1.06 O ATOM 890 CB GLU A 59 11.407 8.330 3.882 1.00 1.10 C ATOM 891 CG GLU A 59 11.743 8.397 2.390 1.00 1.05 C ATOM 892 CD GLU A 59 11.471 9.809 1.869 1.00 1.58 C ATOM 893 OE1 GLU A 59 11.811 10.752 2.565 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.926 9.924 0.783 1.00 2.13 O ATOM 0 H GLU A 59 12.686 6.305 2.913 1.00 0.85 H new ATOM 0 HA GLU A 59 10.960 6.782 5.356 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.521 8.930 4.093 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.224 8.751 4.468 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.789 8.134 2.230 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.144 7.673 1.838 1.00 1.05 H new ATOM 901 N ILE A 60 10.098 5.158 2.948 1.00 0.59 N ATOM 902 CA ILE A 60 8.958 4.551 2.201 1.00 0.57 C ATOM 903 C ILE A 60 7.996 3.853 3.171 1.00 0.52 C ATOM 904 O ILE A 60 8.404 3.290 4.167 1.00 0.63 O ATOM 905 CB ILE A 60 9.603 3.540 1.245 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.247 2.400 2.050 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.670 4.244 0.401 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.983 1.446 1.107 1.00 1.60 C ATOM 0 H ILE A 60 10.959 4.612 2.942 1.00 0.59 H new ATOM 0 HA ILE A 60 8.371 5.296 1.664 1.00 0.57 H new ATOM 0 HB ILE A 60 8.838 3.125 0.589 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.943 2.809 2.783 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.481 1.858 2.605 1.00 1.46 H new ATOM 0 HG21 ILE A 60 11.129 3.526 -0.279 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.208 5.045 -0.176 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.434 4.663 1.056 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.437 0.641 1.685 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.277 1.025 0.391 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.761 1.991 0.572 1.00 1.60 H new ATOM 920 N ARG A 61 6.721 3.888 2.887 1.00 0.45 N ATOM 921 CA ARG A 61 5.737 3.228 3.796 1.00 0.45 C ATOM 922 C ARG A 61 4.686 2.459 2.991 1.00 0.41 C ATOM 923 O ARG A 61 4.574 2.610 1.790 1.00 0.55 O ATOM 924 CB ARG A 61 5.084 4.374 4.569 1.00 0.51 C ATOM 925 CG ARG A 61 5.614 4.388 6.004 1.00 0.75 C ATOM 926 CD ARG A 61 5.963 5.823 6.405 1.00 0.97 C ATOM 927 NE ARG A 61 7.198 5.701 7.229 1.00 1.30 N ATOM 928 CZ ARG A 61 7.117 5.714 8.531 1.00 1.66 C ATOM 929 NH1 ARG A 61 6.080 5.191 9.125 1.00 2.19 N ATOM 930 NH2 ARG A 61 8.073 6.251 9.240 1.00 2.21 N ATOM 0 H ARG A 61 6.319 4.343 2.068 1.00 0.45 H new ATOM 0 HA ARG A 61 6.214 2.504 4.456 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.299 5.325 4.081 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.001 4.255 4.571 1.00 0.51 H new ATOM 0 HG2 ARG A 61 4.865 3.981 6.684 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.496 3.752 6.084 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.133 6.448 5.528 1.00 0.97 H new ATOM 0 HD3 ARG A 61 5.154 6.283 6.972 1.00 0.97 H new ATOM 0 HE ARG A 61 8.107 5.607 6.775 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.333 4.772 8.571 1.00 2.19 H new ATOM 0 HH12 ARG A 61 6.016 5.201 10.143 1.00 2.19 H new ATOM 0 HH21 ARG A 61 8.884 6.661 8.776 1.00 2.21 H new ATOM 0 HH22 ARG A 61 8.009 6.261 10.258 1.00 2.21 H new ATOM 944 N LEU A 62 3.913 1.635 3.648 1.00 0.35 N ATOM 945 CA LEU A 62 2.865 0.856 2.929 1.00 0.36 C ATOM 946 C LEU A 62 1.510 1.021 3.626 1.00 0.32 C ATOM 947 O LEU A 62 1.430 1.494 4.746 1.00 0.38 O ATOM 948 CB LEU A 62 3.326 -0.601 3.002 1.00 0.48 C ATOM 949 CG LEU A 62 4.722 -0.730 2.390 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.299 -2.107 2.727 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.628 -0.575 0.872 1.00 1.59 C ATOM 0 H LEU A 62 3.963 1.468 4.653 1.00 0.35 H new ATOM 0 HA LEU A 62 2.739 1.193 1.900 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.340 -0.937 4.039 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.624 -1.242 2.469 1.00 0.48 H new ATOM 0 HG LEU A 62 5.371 0.046 2.795 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.294 -2.201 2.292 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.364 -2.219 3.809 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.650 -2.883 2.320 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.622 -0.667 0.435 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.980 -1.352 0.466 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.215 0.404 0.631 1.00 1.59 H new ATOM 963 N ALA A 63 0.443 0.634 2.980 1.00 0.30 N ATOM 964 CA ALA A 63 -0.896 0.774 3.620 1.00 0.32 C ATOM 965 C ALA A 63 -1.906 -0.179 2.977 1.00 0.31 C ATOM 966 O ALA A 63 -1.654 -0.761 1.940 1.00 0.37 O ATOM 967 CB ALA A 63 -1.301 2.228 3.380 1.00 0.37 C ATOM 0 H ALA A 63 0.440 0.230 2.044 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.868 0.527 4.681 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.280 2.411 3.823 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.566 2.891 3.837 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.346 2.421 2.308 1.00 0.37 H new ATOM 973 N LYS A 64 -3.050 -0.346 3.587 1.00 0.30 N ATOM 974 CA LYS A 64 -4.073 -1.268 3.009 1.00 0.32 C ATOM 975 C LYS A 64 -5.487 -0.773 3.318 1.00 0.32 C ATOM 976 O LYS A 64 -5.702 -0.015 4.243 1.00 0.40 O ATOM 977 CB LYS A 64 -3.820 -2.607 3.697 1.00 0.38 C ATOM 978 CG LYS A 64 -3.994 -2.442 5.208 1.00 1.39 C ATOM 979 CD LYS A 64 -3.549 -3.722 5.919 1.00 1.60 C ATOM 980 CE LYS A 64 -4.664 -4.207 6.847 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.054 -4.212 8.206 1.00 2.26 N ATOM 0 H LYS A 64 -3.320 0.114 4.457 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.996 -1.335 1.924 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.513 -3.359 3.320 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.814 -2.960 3.472 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.406 -1.595 5.561 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.036 -2.227 5.443 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -3.311 -4.493 5.186 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.641 -3.535 6.492 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -5.529 -3.546 6.804 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -5.009 -5.202 6.565 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -4.752 -3.879 8.901 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.756 -5.178 8.449 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.227 -3.582 8.218 1.00 2.26 H new ATOM 995 N VAL A 65 -6.458 -1.204 2.555 1.00 0.30 N ATOM 996 CA VAL A 65 -7.861 -0.769 2.814 1.00 0.32 C ATOM 997 C VAL A 65 -8.794 -1.980 2.826 1.00 0.31 C ATOM 998 O VAL A 65 -8.556 -2.965 2.158 1.00 0.36 O ATOM 999 CB VAL A 65 -8.225 0.160 1.656 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.680 0.616 1.814 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.301 1.379 1.664 1.00 0.70 C ATOM 0 H VAL A 65 -6.339 -1.838 1.765 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.957 -0.271 3.779 1.00 0.32 H new ATOM 0 HB VAL A 65 -8.108 -0.371 0.711 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.945 1.279 0.990 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.337 -0.254 1.805 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.794 1.147 2.759 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.563 2.039 0.837 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.414 1.915 2.606 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.267 1.052 1.554 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.856 -1.910 3.577 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.806 -3.056 3.625 1.00 0.39 C ATOM 1013 C ASP A 66 -12.058 -2.730 2.809 1.00 0.40 C ATOM 1014 O ASP A 66 -12.973 -2.091 3.290 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.157 -3.219 5.104 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.560 -4.527 5.628 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.581 -5.502 4.894 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.093 -4.532 6.755 1.00 1.30 O ATOM 0 H ASP A 66 -10.108 -1.111 4.159 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.379 -3.968 3.207 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.770 -2.375 5.676 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.239 -3.223 5.234 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.111 -3.162 1.577 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.311 -2.877 0.734 1.00 0.46 C ATOM 1025 C ALA A 67 -14.586 -3.251 1.492 1.00 0.51 C ATOM 1026 O ALA A 67 -15.619 -2.631 1.339 1.00 0.57 O ATOM 1027 CB ALA A 67 -13.144 -3.757 -0.504 1.00 0.51 C ATOM 0 H ALA A 67 -11.376 -3.700 1.117 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.393 -1.822 0.474 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.989 -3.605 -1.175 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -12.220 -3.491 -1.017 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.104 -4.804 -0.203 1.00 0.51 H new ATOM 1033 N THR A 68 -14.510 -4.254 2.322 1.00 0.53 N ATOM 1034 CA THR A 68 -15.708 -4.664 3.108 1.00 0.62 C ATOM 1035 C THR A 68 -16.092 -3.550 4.087 1.00 0.64 C ATOM 1036 O THR A 68 -17.208 -3.487 4.566 1.00 0.86 O ATOM 1037 CB THR A 68 -15.285 -5.927 3.865 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.321 -6.307 4.760 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.003 -5.654 4.654 1.00 1.35 C ATOM 0 H THR A 68 -13.670 -4.808 2.490 1.00 0.53 H new ATOM 0 HA THR A 68 -16.575 -4.850 2.474 1.00 0.62 H new ATOM 0 HB THR A 68 -15.102 -6.731 3.152 1.00 0.66 H new ATOM 0 HG1 THR A 68 -16.054 -7.116 5.245 1.00 1.29 H new ATOM 0 HG21 THR A 68 -13.707 -6.556 5.190 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.208 -5.363 3.967 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.179 -4.849 5.367 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.175 -2.667 4.384 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.484 -1.554 5.325 1.00 0.61 C ATOM 1049 C GLU A 69 -15.522 -0.223 4.568 1.00 0.57 C ATOM 1050 O GLU A 69 -16.508 0.486 4.593 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.343 -1.564 6.342 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.816 -0.911 7.642 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.141 -1.596 8.833 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.500 -2.726 9.123 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -13.277 -0.979 9.435 1.00 2.10 O ATOM 0 H GLU A 69 -14.224 -2.670 4.014 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.455 -1.675 5.806 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.020 -2.587 6.533 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.482 -1.027 5.944 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.575 0.152 7.636 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.900 -0.992 7.729 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.458 0.124 3.892 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.446 1.409 3.136 1.00 0.57 C ATOM 1064 C GLU A 70 -15.360 1.309 1.912 1.00 0.72 C ATOM 1065 O GLU A 70 -16.487 1.765 1.926 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.992 1.603 2.706 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.200 2.228 3.856 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.155 1.230 4.356 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.552 0.192 4.861 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -9.977 1.518 4.227 1.00 1.89 O ATOM 0 H GLU A 70 -13.601 -0.425 3.831 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.807 2.245 3.735 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.553 0.645 2.426 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.944 2.245 1.826 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.713 3.144 3.521 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.873 2.504 4.668 1.00 1.05 H new ATOM 1077 N SER A 71 -14.881 0.717 0.851 1.00 0.55 N ATOM 1078 CA SER A 71 -15.713 0.583 -0.385 1.00 0.66 C ATOM 1079 C SER A 71 -16.163 1.960 -0.883 1.00 0.70 C ATOM 1080 O SER A 71 -17.084 2.074 -1.669 1.00 0.94 O ATOM 1081 CB SER A 71 -16.921 -0.251 0.033 1.00 0.79 C ATOM 1082 OG SER A 71 -17.143 -1.275 -0.928 1.00 1.48 O ATOM 0 H SER A 71 -13.945 0.318 0.785 1.00 0.55 H new ATOM 0 HA SER A 71 -15.157 0.118 -1.199 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.751 -0.690 1.016 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.804 0.383 0.116 1.00 0.79 H new ATOM 0 HG SER A 71 -17.517 -0.882 -1.744 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.520 3.003 -0.440 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.908 4.367 -0.894 1.00 0.71 C ATOM 1090 C ASP A 72 -14.845 4.914 -1.846 1.00 0.68 C ATOM 1091 O ASP A 72 -15.126 5.713 -2.717 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.975 5.208 0.381 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.216 6.103 0.336 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.302 5.586 0.541 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.059 7.288 0.096 1.00 1.57 O ATOM 0 H ASP A 72 -14.741 2.970 0.218 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.857 4.375 -1.431 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.013 4.559 1.256 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.077 5.818 0.475 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.623 4.483 -1.687 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.537 4.969 -2.584 1.00 0.68 C ATOM 1102 C LEU A 73 -12.215 3.906 -3.636 1.00 0.60 C ATOM 1103 O LEU A 73 -11.720 4.207 -4.704 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.334 5.197 -1.667 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.728 6.145 -0.531 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.861 5.351 0.770 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.650 7.218 -0.367 1.00 0.97 C ATOM 0 H LEU A 73 -13.330 3.815 -0.974 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.816 5.877 -3.119 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.990 4.247 -1.259 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.505 5.619 -2.235 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.680 6.620 -0.766 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.141 6.024 1.580 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.628 4.586 0.652 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.908 4.877 1.006 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.929 7.894 0.441 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.697 6.744 -0.131 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.554 7.782 -1.295 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.498 2.666 -3.346 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.213 1.592 -4.335 1.00 0.56 C ATOM 1121 C ALA A 74 -13.273 1.616 -5.436 1.00 0.59 C ATOM 1122 O ALA A 74 -12.963 1.624 -6.610 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.286 0.287 -3.543 1.00 0.60 C ATOM 0 H ALA A 74 -12.913 2.352 -2.469 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.243 1.713 -4.816 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.086 -0.554 -4.207 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.543 0.304 -2.745 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.281 0.179 -3.111 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.523 1.640 -5.066 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.599 1.678 -6.094 1.00 0.76 C ATOM 1131 C GLN A 75 -15.486 2.969 -6.906 1.00 0.78 C ATOM 1132 O GLN A 75 -15.942 3.050 -8.029 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.906 1.651 -5.302 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.878 0.668 -5.955 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.790 0.068 -4.883 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.406 -0.044 -3.735 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.990 -0.328 -5.210 1.00 2.40 N ATOM 0 H GLN A 75 -14.845 1.635 -4.098 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.538 0.847 -6.797 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.712 1.356 -4.271 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.346 2.648 -5.272 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.474 1.178 -6.712 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.326 -0.123 -6.463 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.313 -0.234 -6.173 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.605 -0.731 -4.503 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.873 3.978 -6.347 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.725 5.263 -7.087 1.00 0.84 C ATOM 1148 C GLN A 76 -13.763 5.082 -8.261 1.00 0.83 C ATOM 1149 O GLN A 76 -13.920 5.681 -9.306 1.00 0.94 O ATOM 1150 CB GLN A 76 -14.148 6.243 -6.066 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.727 7.636 -6.318 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.402 8.546 -5.129 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.282 8.573 -4.658 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.343 9.296 -4.623 1.00 1.97 N ATOM 0 H GLN A 76 -14.469 3.967 -5.411 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.670 5.616 -7.500 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -14.387 5.915 -5.055 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -13.061 6.269 -6.144 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.311 8.054 -7.234 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.806 7.573 -6.458 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -16.283 9.272 -5.019 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.139 9.906 -3.831 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.766 4.257 -8.094 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.790 4.034 -9.200 1.00 0.81 C ATOM 1165 C TYR A 77 -12.285 2.919 -10.122 1.00 0.83 C ATOM 1166 O TYR A 77 -12.283 3.049 -11.329 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.489 3.626 -8.508 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.771 4.862 -8.021 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.448 5.883 -8.922 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -9.427 4.986 -6.669 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.782 7.029 -8.471 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.761 6.133 -6.218 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.438 7.154 -7.120 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.782 8.284 -6.675 1.00 1.22 O ATOM 0 H TYR A 77 -12.584 3.728 -7.241 1.00 0.74 H new ATOM 0 HA TYR A 77 -11.657 4.921 -9.819 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.702 2.962 -7.670 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.854 3.072 -9.200 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -9.712 5.787 -9.965 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.675 4.197 -5.974 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.533 7.817 -9.166 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.497 6.230 -5.175 1.00 1.56 H new ATOM 0 HH TYR A 77 -7.619 8.210 -5.711 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.706 1.823 -9.559 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.200 0.693 -10.395 1.00 0.87 C ATOM 1186 C GLY A 78 -12.619 -0.613 -9.858 1.00 0.88 C ATOM 1187 O GLY A 78 -13.338 -1.539 -9.539 1.00 1.52 O ATOM 0 H GLY A 78 -12.730 1.659 -8.552 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.289 0.657 -10.374 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.906 0.837 -11.435 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.322 -0.689 -9.745 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.687 -1.931 -9.217 1.00 0.79 C ATOM 1193 C VAL A 79 -11.199 -3.161 -9.971 1.00 1.13 C ATOM 1194 O VAL A 79 -12.244 -3.700 -9.663 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.108 -1.987 -7.749 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.475 -3.208 -7.083 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.641 -0.716 -7.038 1.00 0.72 C ATOM 0 H VAL A 79 -10.672 0.056 -9.996 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.604 -1.923 -9.336 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.193 -2.062 -7.684 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.775 -3.248 -6.036 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -10.808 -4.113 -7.591 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.389 -3.135 -7.147 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.940 -0.754 -5.991 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.556 -0.641 -7.103 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -11.094 0.154 -7.513 1.00 0.72 H new ATOM 1207 N ARG A 80 -10.470 -3.612 -10.955 1.00 1.27 N ATOM 1208 CA ARG A 80 -10.915 -4.809 -11.724 1.00 1.72 C ATOM 1209 C ARG A 80 -11.196 -5.974 -10.771 1.00 1.38 C ATOM 1210 O ARG A 80 -11.934 -6.886 -11.091 1.00 1.87 O ATOM 1211 CB ARG A 80 -9.745 -5.144 -12.651 1.00 2.38 C ATOM 1212 CG ARG A 80 -9.619 -4.063 -13.729 1.00 2.85 C ATOM 1213 CD ARG A 80 -8.287 -3.326 -13.564 1.00 3.49 C ATOM 1214 NE ARG A 80 -7.594 -3.486 -14.872 1.00 4.06 N ATOM 1215 CZ ARG A 80 -7.521 -2.481 -15.701 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -8.525 -1.656 -15.815 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -6.444 -2.301 -16.415 1.00 5.25 N ATOM 0 H ARG A 80 -9.586 -3.204 -11.260 1.00 1.27 H new ATOM 0 HA ARG A 80 -11.834 -4.624 -12.280 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -8.820 -5.210 -12.077 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -9.902 -6.118 -13.115 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -9.676 -4.514 -14.719 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.448 -3.359 -13.651 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -8.445 -2.274 -13.327 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -7.699 -3.751 -12.751 1.00 3.49 H new ATOM 0 HE ARG A 80 -7.176 -4.383 -15.120 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -9.367 -1.797 -15.256 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -8.468 -0.870 -16.463 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -5.659 -2.946 -16.325 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -6.387 -1.515 -17.063 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.614 -5.952 -9.602 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.849 -7.058 -8.629 1.00 0.81 C ATOM 1233 C GLY A 81 -9.732 -7.065 -7.582 1.00 0.74 C ATOM 1234 O GLY A 81 -8.562 -7.090 -7.910 1.00 1.17 O ATOM 0 H GLY A 81 -9.986 -5.216 -9.279 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.816 -6.929 -8.143 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.879 -8.015 -9.150 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.081 -7.043 -6.323 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.034 -7.049 -5.260 1.00 0.52 C ATOM 1240 C TYR A 82 -8.132 -8.285 -5.408 1.00 0.54 C ATOM 1241 O TYR A 82 -8.525 -9.249 -6.035 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.804 -7.117 -3.937 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.782 -5.965 -3.832 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.471 -4.709 -4.373 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.007 -6.161 -3.185 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.384 -3.655 -4.267 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.921 -5.107 -3.080 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.611 -3.853 -3.621 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.512 -2.815 -3.516 1.00 0.85 O ATOM 0 H TYR A 82 -11.043 -7.021 -5.985 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.391 -6.170 -5.317 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.340 -8.064 -3.870 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.105 -7.086 -3.101 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.526 -4.556 -4.872 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.247 -7.127 -2.766 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.143 -2.688 -4.683 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.867 -5.261 -2.581 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.390 -3.168 -3.262 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.947 -8.234 -4.828 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.476 -7.051 -4.062 1.00 0.51 C ATOM 1261 C PRO A 83 -5.781 -6.059 -4.999 1.00 0.51 C ATOM 1262 O PRO A 83 -4.824 -6.397 -5.668 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.476 -7.651 -3.081 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.983 -8.919 -3.723 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.937 -9.293 -4.837 1.00 0.64 C ATOM 0 HA PRO A 83 -7.280 -6.502 -3.572 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.652 -6.963 -2.892 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.947 -7.857 -2.120 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.977 -8.778 -4.117 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.928 -9.720 -2.986 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.424 -9.344 -5.798 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.386 -10.271 -4.663 1.00 0.64 H new ATOM 1273 N THR A 84 -6.244 -4.839 -5.057 1.00 0.45 N ATOM 1274 CA THR A 84 -5.587 -3.849 -5.959 1.00 0.45 C ATOM 1275 C THR A 84 -4.486 -3.096 -5.208 1.00 0.43 C ATOM 1276 O THR A 84 -4.725 -2.070 -4.602 1.00 0.52 O ATOM 1277 CB THR A 84 -6.701 -2.892 -6.388 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.703 -3.617 -7.086 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.121 -1.810 -7.301 1.00 0.56 C ATOM 0 H THR A 84 -7.040 -4.488 -4.525 1.00 0.45 H new ATOM 0 HA THR A 84 -5.114 -4.327 -6.817 1.00 0.45 H new ATOM 0 HB THR A 84 -7.139 -2.424 -5.506 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.584 -3.493 -8.051 1.00 0.67 H new ATOM 0 HG21 THR A 84 -6.915 -1.128 -7.607 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.352 -1.255 -6.764 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.682 -2.275 -8.184 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.280 -3.595 -5.245 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.165 -2.903 -4.539 1.00 0.41 C ATOM 1289 C ILE A 85 -1.674 -1.726 -5.381 1.00 0.41 C ATOM 1290 O ILE A 85 -1.326 -1.880 -6.535 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.073 -3.961 -4.386 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.607 -5.120 -3.541 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.141 -3.343 -3.691 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.010 -6.437 -4.040 1.00 1.27 C ATOM 0 H ILE A 85 -3.019 -4.452 -5.734 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.466 -2.499 -3.572 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.780 -4.329 -5.369 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.351 -4.967 -2.493 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.695 -5.156 -3.601 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.920 -4.097 -3.581 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.520 -2.514 -4.289 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.151 -2.977 -2.707 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.391 -7.261 -3.437 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.289 -6.591 -5.082 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.076 -6.399 -3.957 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.654 -0.548 -4.821 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.198 0.634 -5.609 1.00 0.40 C ATOM 1308 C LYS A 86 -0.107 1.402 -4.860 1.00 0.38 C ATOM 1309 O LYS A 86 0.203 1.114 -3.720 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.446 1.501 -5.775 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.534 0.698 -6.494 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.734 1.604 -6.776 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.649 1.637 -5.550 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.899 2.293 -6.024 1.00 1.73 N ATOM 0 H LYS A 86 -1.931 -0.352 -3.859 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.767 0.342 -6.567 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.806 1.829 -4.800 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.205 2.399 -6.345 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.144 0.292 -7.427 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.841 -0.149 -5.881 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.394 2.611 -7.016 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.284 1.238 -7.643 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.847 0.632 -5.177 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.194 2.196 -4.732 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.579 2.353 -5.239 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.680 3.250 -6.367 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.312 1.734 -6.798 1.00 1.73 H new ATOM 1328 N PHE A 87 0.478 2.381 -5.498 1.00 0.37 N ATOM 1329 CA PHE A 87 1.553 3.176 -4.837 1.00 0.36 C ATOM 1330 C PHE A 87 1.315 4.670 -5.072 1.00 0.33 C ATOM 1331 O PHE A 87 1.016 5.096 -6.170 1.00 0.37 O ATOM 1332 CB PHE A 87 2.850 2.716 -5.514 1.00 0.42 C ATOM 1333 CG PHE A 87 4.003 3.587 -5.067 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.254 3.765 -3.702 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.820 4.214 -6.017 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.322 4.569 -3.285 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.887 5.018 -5.600 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.137 5.203 -4.248 1.00 0.72 C ATOM 0 H PHE A 87 0.256 2.665 -6.452 1.00 0.37 H new ATOM 0 HA PHE A 87 1.585 3.027 -3.758 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.051 1.675 -5.263 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.743 2.768 -6.597 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.624 3.282 -2.970 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.626 4.077 -7.071 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.521 4.703 -2.232 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.519 5.496 -6.334 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.956 5.832 -3.932 1.00 0.72 H new ATOM 1348 N PHE A 88 1.445 5.470 -4.050 1.00 0.33 N ATOM 1349 CA PHE A 88 1.226 6.930 -4.219 1.00 0.35 C ATOM 1350 C PHE A 88 2.472 7.706 -3.784 1.00 0.42 C ATOM 1351 O PHE A 88 3.005 7.497 -2.712 1.00 0.61 O ATOM 1352 CB PHE A 88 0.044 7.250 -3.308 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.243 6.887 -4.010 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.581 5.542 -4.206 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.099 7.897 -4.463 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.775 5.209 -4.856 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.294 7.563 -5.113 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.627 6.206 -5.311 1.00 0.62 C ATOM 0 H PHE A 88 1.693 5.174 -3.106 1.00 0.33 H new ATOM 0 HA PHE A 88 1.031 7.207 -5.255 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.130 6.696 -2.374 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.045 8.309 -3.051 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -0.921 4.762 -3.856 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.838 8.934 -4.311 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.035 4.171 -5.004 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -3.958 8.341 -5.461 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.545 5.943 -5.816 1.00 0.62 H new ATOM 1368 N ARG A 89 2.944 8.600 -4.610 1.00 0.47 N ATOM 1369 CA ARG A 89 4.158 9.386 -4.244 1.00 0.55 C ATOM 1370 C ARG A 89 3.771 10.810 -3.834 1.00 0.64 C ATOM 1371 O ARG A 89 3.116 11.522 -4.571 1.00 1.05 O ATOM 1372 CB ARG A 89 5.010 9.405 -5.512 1.00 0.73 C ATOM 1373 CG ARG A 89 6.305 10.176 -5.246 1.00 1.15 C ATOM 1374 CD ARG A 89 6.280 11.502 -6.010 1.00 1.42 C ATOM 1375 NE ARG A 89 6.804 11.175 -7.365 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.101 12.134 -8.199 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.164 12.928 -8.640 1.00 2.56 N ATOM 1378 NH2 ARG A 89 8.335 12.299 -8.593 1.00 2.43 N ATOM 0 H ARG A 89 2.542 8.820 -5.521 1.00 0.47 H new ATOM 0 HA ARG A 89 4.691 8.951 -3.398 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.239 8.386 -5.824 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.457 9.872 -6.327 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.416 10.362 -4.178 1.00 1.15 H new ATOM 0 HG3 ARG A 89 7.164 9.582 -5.557 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.270 11.907 -6.065 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.898 12.253 -5.518 1.00 1.42 H new ATOM 0 HE ARG A 89 6.931 10.201 -7.641 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.200 12.799 -8.333 1.00 2.56 H new ATOM 0 HH12 ARG A 89 6.396 13.678 -9.292 1.00 2.56 H new ATOM 0 HH21 ARG A 89 9.068 11.678 -8.249 1.00 2.43 H new ATOM 0 HH22 ARG A 89 8.566 13.049 -9.245 1.00 2.43 H new ATOM 1392 N ASN A 90 4.175 11.232 -2.665 1.00 0.57 N ATOM 1393 CA ASN A 90 3.839 12.610 -2.202 1.00 0.68 C ATOM 1394 C ASN A 90 2.345 12.893 -2.395 1.00 0.69 C ATOM 1395 O ASN A 90 1.938 14.016 -2.622 1.00 0.98 O ATOM 1396 CB ASN A 90 4.682 13.530 -3.081 1.00 0.87 C ATOM 1397 CG ASN A 90 4.731 14.929 -2.463 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.789 15.361 -1.828 1.00 1.65 O ATOM 1399 ND2 ASN A 90 5.800 15.661 -2.619 1.00 1.74 N ATOM 0 H ASN A 90 4.726 10.679 -2.008 1.00 0.57 H new ATOM 0 HA ASN A 90 4.046 12.753 -1.141 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.691 13.130 -3.180 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.258 13.579 -4.084 1.00 0.87 H new ATOM 0 HD21 ASN A 90 5.844 16.594 -2.208 1.00 1.74 H new ATOM 0 HD22 ASN A 90 6.592 15.300 -3.152 1.00 1.74 H new ATOM 1406 N GLY A 91 1.524 11.882 -2.307 1.00 0.65 N ATOM 1407 CA GLY A 91 0.060 12.094 -2.486 1.00 0.75 C ATOM 1408 C GLY A 91 -0.197 12.796 -3.819 1.00 0.79 C ATOM 1409 O GLY A 91 -0.298 14.006 -3.887 1.00 1.19 O ATOM 0 H GLY A 91 1.804 10.919 -2.119 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.462 11.137 -2.461 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.334 12.694 -1.666 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.304 12.049 -4.882 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.554 12.674 -6.211 1.00 1.27 C ATOM 1415 C ASP A 92 -2.030 12.532 -6.589 1.00 1.14 C ATOM 1416 O ASP A 92 -2.611 13.414 -7.189 1.00 1.70 O ATOM 1417 CB ASP A 92 0.327 11.897 -7.188 1.00 1.93 C ATOM 1418 CG ASP A 92 0.628 12.768 -8.409 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.283 13.430 -8.878 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.765 12.761 -8.852 1.00 2.41 O ATOM 0 H ASP A 92 -0.229 11.032 -4.888 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.324 13.739 -6.217 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.256 11.602 -6.701 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.175 10.980 -7.497 1.00 1.93 H new ATOM 1425 N THR A 93 -2.637 11.422 -6.239 1.00 0.96 N ATOM 1426 CA THR A 93 -4.082 11.198 -6.564 1.00 1.33 C ATOM 1427 C THR A 93 -4.396 11.627 -8.003 1.00 1.26 C ATOM 1428 O THR A 93 -5.489 12.061 -8.307 1.00 1.90 O ATOM 1429 CB THR A 93 -4.857 12.056 -5.561 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.574 13.430 -5.788 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.446 11.677 -4.138 1.00 1.92 C ATOM 0 H THR A 93 -2.189 10.655 -5.738 1.00 0.96 H new ATOM 0 HA THR A 93 -4.352 10.144 -6.494 1.00 1.33 H new ATOM 0 HB THR A 93 -5.926 11.882 -5.688 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.218 13.545 -6.694 1.00 2.10 H new ATOM 0 HG21 THR A 93 -4.998 12.289 -3.425 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.669 10.625 -3.963 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.377 11.847 -4.010 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.444 11.508 -8.887 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.687 11.907 -10.304 1.00 1.18 C ATOM 1441 C ALA A 94 -2.900 10.998 -11.250 1.00 1.14 C ATOM 1442 O ALA A 94 -3.398 10.570 -12.274 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.185 13.348 -10.401 1.00 1.24 C ATOM 0 H ALA A 94 -2.509 11.152 -8.691 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.737 11.823 -10.584 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.329 13.716 -11.417 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.743 13.975 -9.705 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.125 13.382 -10.150 1.00 1.24 H new ATOM 1449 N SER A 95 -1.679 10.699 -10.914 1.00 1.20 N ATOM 1450 CA SER A 95 -0.855 9.814 -11.788 1.00 1.22 C ATOM 1451 C SER A 95 -0.055 8.826 -10.930 1.00 0.98 C ATOM 1452 O SER A 95 1.147 8.722 -11.068 1.00 0.98 O ATOM 1453 CB SER A 95 0.085 10.757 -12.539 1.00 1.48 C ATOM 1454 OG SER A 95 1.045 9.994 -13.256 1.00 2.01 O ATOM 0 H SER A 95 -1.212 11.029 -10.069 1.00 1.20 H new ATOM 0 HA SER A 95 -1.465 9.223 -12.471 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.484 11.384 -13.226 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.585 11.425 -11.837 1.00 1.48 H new ATOM 0 HG SER A 95 1.550 9.433 -12.631 1.00 2.01 H new ATOM 1460 N PRO A 96 -0.753 8.127 -10.064 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.087 7.138 -9.179 1.00 0.72 C ATOM 1462 C PRO A 96 0.360 5.917 -9.987 1.00 0.65 C ATOM 1463 O PRO A 96 0.029 5.775 -11.148 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.178 6.761 -8.180 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.464 7.040 -8.890 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.204 8.185 -9.831 1.00 1.02 C ATOM 0 HA PRO A 96 0.809 7.527 -8.696 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.105 5.712 -7.893 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.096 7.348 -7.265 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.802 6.160 -9.437 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.250 7.295 -8.179 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.763 8.074 -10.760 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -2.501 9.138 -9.393 1.00 1.02 H new ATOM 1474 N LYS A 97 1.115 5.037 -9.386 1.00 0.55 N ATOM 1475 CA LYS A 97 1.583 3.832 -10.125 1.00 0.57 C ATOM 1476 C LYS A 97 0.795 2.598 -9.686 1.00 0.53 C ATOM 1477 O LYS A 97 -0.028 2.653 -8.795 1.00 0.89 O ATOM 1478 CB LYS A 97 3.053 3.687 -9.744 1.00 0.68 C ATOM 1479 CG LYS A 97 3.881 4.729 -10.499 1.00 0.85 C ATOM 1480 CD LYS A 97 4.413 4.116 -11.795 1.00 1.63 C ATOM 1481 CE LYS A 97 4.418 5.177 -12.897 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.813 5.182 -13.418 1.00 2.61 N ATOM 0 H LYS A 97 1.427 5.101 -8.417 1.00 0.55 H new ATOM 0 HA LYS A 97 1.444 3.929 -11.202 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.176 3.819 -8.669 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.405 2.684 -9.984 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.269 5.603 -10.722 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.710 5.070 -9.878 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.421 3.732 -11.641 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.792 3.271 -12.092 1.00 1.63 H new ATOM 0 HE2 LYS A 97 3.704 4.933 -13.683 1.00 2.05 H new ATOM 0 HE3 LYS A 97 4.139 6.155 -12.505 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.897 5.886 -14.179 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.470 5.424 -12.649 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.048 4.240 -13.791 1.00 2.61 H new ATOM 1496 N GLU A 98 1.049 1.483 -10.310 1.00 0.51 N ATOM 1497 CA GLU A 98 0.323 0.235 -9.939 1.00 0.48 C ATOM 1498 C GLU A 98 1.323 -0.876 -9.613 1.00 0.45 C ATOM 1499 O GLU A 98 2.331 -1.032 -10.274 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.500 -0.129 -11.176 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.379 -1.341 -10.865 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.472 -0.938 -9.872 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.228 -0.035 -10.190 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -2.532 -1.539 -8.813 1.00 2.79 O ATOM 0 H GLU A 98 1.729 1.381 -11.063 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.305 0.367 -9.058 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.120 0.716 -11.475 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.161 -0.351 -12.013 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.829 -1.722 -11.782 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.773 -2.146 -10.448 1.00 1.33 H new ATOM 1511 N TYR A 99 1.054 -1.649 -8.598 1.00 0.45 N ATOM 1512 CA TYR A 99 1.991 -2.748 -8.229 1.00 0.46 C ATOM 1513 C TYR A 99 1.864 -3.912 -9.217 1.00 0.53 C ATOM 1514 O TYR A 99 0.795 -4.199 -9.720 1.00 0.67 O ATOM 1515 CB TYR A 99 1.553 -3.185 -6.831 1.00 0.52 C ATOM 1516 CG TYR A 99 2.594 -4.109 -6.245 1.00 0.64 C ATOM 1517 CD1 TYR A 99 3.941 -3.728 -6.242 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.213 -5.343 -5.703 1.00 1.20 C ATOM 1519 CE1 TYR A 99 4.908 -4.581 -5.696 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.181 -6.196 -5.158 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.520 -5.827 -5.162 1.00 1.70 C ATOM 1522 OH TYR A 99 5.483 -6.652 -4.618 1.00 2.27 O ATOM 0 H TYR A 99 0.226 -1.568 -8.008 1.00 0.45 H new ATOM 0 HA TYR A 99 3.032 -2.426 -8.252 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.422 -2.313 -6.190 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.589 -3.691 -6.882 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.234 -2.777 -6.661 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.174 -5.637 -5.705 1.00 1.20 H new ATOM 0 HE1 TYR A 99 5.947 -4.286 -5.684 1.00 2.05 H new ATOM 0 HE2 TYR A 99 2.885 -7.144 -4.733 1.00 1.49 H new ATOM 0 HH TYR A 99 5.062 -7.474 -4.290 1.00 2.27 H new ATOM 1532 N THR A 100 2.946 -4.584 -9.496 1.00 0.60 N ATOM 1533 CA THR A 100 2.888 -5.731 -10.448 1.00 0.72 C ATOM 1534 C THR A 100 3.209 -7.036 -9.713 1.00 0.83 C ATOM 1535 O THR A 100 2.498 -8.014 -9.825 1.00 1.71 O ATOM 1536 CB THR A 100 3.954 -5.430 -11.502 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.150 -5.015 -10.857 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.460 -4.317 -12.429 1.00 1.13 C ATOM 0 H THR A 100 3.868 -4.389 -9.107 1.00 0.60 H new ATOM 0 HA THR A 100 1.901 -5.850 -10.895 1.00 0.72 H new ATOM 0 HB THR A 100 4.148 -6.328 -12.089 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.835 -4.823 -11.531 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.221 -4.104 -13.179 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.542 -4.636 -12.923 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.264 -3.418 -11.845 1.00 1.13 H new ATOM 1546 N ALA A 101 4.275 -7.055 -8.959 1.00 0.83 N ATOM 1547 CA ALA A 101 4.638 -8.294 -8.215 1.00 1.01 C ATOM 1548 C ALA A 101 3.610 -8.561 -7.110 1.00 1.36 C ATOM 1549 O ALA A 101 2.514 -8.039 -7.134 1.00 1.98 O ATOM 1550 CB ALA A 101 6.014 -8.000 -7.613 1.00 0.87 C ATOM 0 H ALA A 101 4.909 -6.267 -8.827 1.00 0.83 H new ATOM 0 HA ALA A 101 4.654 -9.177 -8.854 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.356 -8.866 -7.046 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.723 -7.787 -8.413 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.945 -7.137 -6.951 1.00 0.87 H new ATOM 1556 N GLY A 102 3.953 -9.367 -6.143 1.00 1.17 N ATOM 1557 CA GLY A 102 2.989 -9.660 -5.045 1.00 1.71 C ATOM 1558 C GLY A 102 3.157 -11.109 -4.591 1.00 1.08 C ATOM 1559 O GLY A 102 2.243 -11.907 -4.671 1.00 1.27 O ATOM 0 H GLY A 102 4.856 -9.834 -6.066 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.159 -8.984 -4.207 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.968 -9.492 -5.388 1.00 1.71 H new ATOM 1563 N ARG A 103 4.319 -11.454 -4.114 1.00 0.90 N ATOM 1564 CA ARG A 103 4.553 -12.851 -3.651 1.00 1.11 C ATOM 1565 C ARG A 103 5.075 -12.850 -2.211 1.00 0.94 C ATOM 1566 O ARG A 103 4.756 -13.719 -1.423 1.00 1.04 O ATOM 1567 CB ARG A 103 5.605 -13.414 -4.607 1.00 1.71 C ATOM 1568 CG ARG A 103 5.112 -14.742 -5.184 1.00 2.44 C ATOM 1569 CD ARG A 103 6.193 -15.339 -6.089 1.00 3.16 C ATOM 1570 NE ARG A 103 6.217 -16.789 -5.751 1.00 3.73 N ATOM 1571 CZ ARG A 103 7.021 -17.227 -4.819 1.00 4.34 C ATOM 1572 NH1 ARG A 103 7.280 -16.483 -3.779 1.00 4.84 N ATOM 1573 NH2 ARG A 103 7.563 -18.409 -4.928 1.00 4.81 N ATOM 0 H ARG A 103 5.119 -10.828 -4.024 1.00 0.90 H new ATOM 0 HA ARG A 103 3.641 -13.447 -3.655 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.797 -12.705 -5.412 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.548 -13.562 -4.081 1.00 1.71 H new ATOM 0 HG2 ARG A 103 4.875 -15.435 -4.377 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.194 -14.586 -5.751 1.00 2.44 H new ATOM 0 HD2 ARG A 103 5.958 -15.182 -7.142 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.162 -14.875 -5.906 1.00 3.16 H new ATOM 0 HE ARG A 103 5.607 -17.439 -6.246 1.00 3.73 H new ATOM 0 HH11 ARG A 103 6.855 -15.560 -3.694 1.00 4.84 H new ATOM 0 HH12 ARG A 103 7.908 -16.825 -3.051 1.00 4.84 H new ATOM 0 HH21 ARG A 103 7.359 -18.991 -5.741 1.00 4.81 H new ATOM 0 HH22 ARG A 103 8.191 -18.751 -4.201 1.00 4.81 H new ATOM 1587 N GLU A 104 5.873 -11.879 -1.861 1.00 0.75 N ATOM 1588 CA GLU A 104 6.415 -11.818 -0.473 1.00 0.66 C ATOM 1589 C GLU A 104 6.847 -10.388 -0.130 1.00 0.56 C ATOM 1590 O GLU A 104 7.091 -9.577 -1.001 1.00 0.57 O ATOM 1591 CB GLU A 104 7.624 -12.753 -0.474 1.00 0.79 C ATOM 1592 CG GLU A 104 8.665 -12.244 -1.473 1.00 1.59 C ATOM 1593 CD GLU A 104 9.665 -13.360 -1.778 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.318 -13.812 -0.850 1.00 2.04 O ATOM 1595 OE2 GLU A 104 9.760 -13.746 -2.931 1.00 2.51 O ATOM 0 H GLU A 104 6.174 -11.124 -2.477 1.00 0.75 H new ATOM 0 HA GLU A 104 5.672 -12.112 0.268 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.058 -12.804 0.525 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.315 -13.764 -0.739 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.175 -11.919 -2.391 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.184 -11.377 -1.064 1.00 1.59 H new ATOM 1602 N ALA A 105 6.936 -10.079 1.138 1.00 0.50 N ATOM 1603 CA ALA A 105 7.346 -8.704 1.566 1.00 0.44 C ATOM 1604 C ALA A 105 8.535 -8.184 0.748 1.00 0.45 C ATOM 1605 O ALA A 105 8.702 -6.992 0.578 1.00 0.47 O ATOM 1606 CB ALA A 105 7.747 -8.864 3.034 1.00 0.47 C ATOM 0 H ALA A 105 6.741 -10.725 1.903 1.00 0.50 H new ATOM 0 HA ALA A 105 6.542 -7.983 1.418 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.063 -7.900 3.432 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.895 -9.231 3.606 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.569 -9.576 3.111 1.00 0.47 H new ATOM 1612 N ASP A 106 9.366 -9.055 0.248 1.00 0.51 N ATOM 1613 CA ASP A 106 10.538 -8.584 -0.544 1.00 0.56 C ATOM 1614 C ASP A 106 10.111 -8.210 -1.967 1.00 0.54 C ATOM 1615 O ASP A 106 10.786 -7.465 -2.649 1.00 0.64 O ATOM 1616 CB ASP A 106 11.508 -9.765 -0.563 1.00 0.67 C ATOM 1617 CG ASP A 106 10.855 -10.951 -1.276 1.00 1.18 C ATOM 1618 OD1 ASP A 106 9.663 -11.141 -1.098 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.558 -11.650 -1.988 1.00 1.82 O ATOM 0 H ASP A 106 9.286 -10.067 0.352 1.00 0.51 H new ATOM 0 HA ASP A 106 10.992 -7.693 -0.111 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.430 -9.484 -1.072 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.778 -10.043 0.456 1.00 0.67 H new ATOM 1624 N ASP A 107 8.999 -8.716 -2.424 1.00 0.50 N ATOM 1625 CA ASP A 107 8.546 -8.371 -3.801 1.00 0.52 C ATOM 1626 C ASP A 107 7.989 -6.948 -3.818 1.00 0.51 C ATOM 1627 O ASP A 107 8.123 -6.227 -4.785 1.00 0.63 O ATOM 1628 CB ASP A 107 7.449 -9.382 -4.131 1.00 0.55 C ATOM 1629 CG ASP A 107 8.090 -10.697 -4.578 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.165 -11.004 -4.090 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.497 -11.373 -5.402 1.00 1.39 O ATOM 0 H ASP A 107 8.388 -9.349 -1.908 1.00 0.50 H new ATOM 0 HA ASP A 107 9.358 -8.411 -4.528 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.819 -9.550 -3.258 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.805 -8.992 -4.919 1.00 0.55 H new ATOM 1636 N ILE A 108 7.367 -6.541 -2.746 1.00 0.46 N ATOM 1637 CA ILE A 108 6.802 -5.165 -2.689 1.00 0.52 C ATOM 1638 C ILE A 108 7.919 -4.155 -2.426 1.00 0.50 C ATOM 1639 O ILE A 108 8.023 -3.141 -3.090 1.00 0.52 O ATOM 1640 CB ILE A 108 5.813 -5.191 -1.522 1.00 0.60 C ATOM 1641 CG1 ILE A 108 4.667 -6.149 -1.853 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.255 -3.785 -1.291 1.00 0.67 C ATOM 1643 CD1 ILE A 108 3.669 -6.177 -0.692 1.00 0.68 C ATOM 0 H ILE A 108 7.226 -7.103 -1.907 1.00 0.46 H new ATOM 0 HA ILE A 108 6.319 -4.873 -3.622 1.00 0.52 H new ATOM 0 HB ILE A 108 6.322 -5.528 -0.619 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.167 -5.831 -2.768 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.058 -7.150 -2.034 1.00 0.73 H new ATOM 0 HG21 ILE A 108 4.551 -3.805 -0.459 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.073 -3.103 -1.058 1.00 0.67 H new ATOM 0 HG23 ILE A 108 4.744 -3.444 -2.191 1.00 0.67 H new ATOM 0 HD11 ILE A 108 2.853 -6.860 -0.930 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.173 -6.515 0.213 1.00 0.68 H new ATOM 0 HD13 ILE A 108 3.269 -5.176 -0.532 1.00 0.68 H new ATOM 1655 N VAL A 109 8.762 -4.422 -1.466 1.00 0.51 N ATOM 1656 CA VAL A 109 9.869 -3.473 -1.177 1.00 0.56 C ATOM 1657 C VAL A 109 10.730 -3.291 -2.424 1.00 0.51 C ATOM 1658 O VAL A 109 11.132 -2.198 -2.771 1.00 0.55 O ATOM 1659 CB VAL A 109 10.672 -4.121 -0.043 1.00 0.67 C ATOM 1660 CG1 VAL A 109 11.414 -5.366 -0.536 1.00 0.86 C ATOM 1661 CG2 VAL A 109 11.683 -3.107 0.491 1.00 0.81 C ATOM 0 H VAL A 109 8.731 -5.252 -0.874 1.00 0.51 H new ATOM 0 HA VAL A 109 9.509 -2.485 -0.892 1.00 0.56 H new ATOM 0 HB VAL A 109 9.983 -4.423 0.746 1.00 0.67 H new ATOM 0 HG11 VAL A 109 11.975 -5.805 0.289 1.00 0.86 H new ATOM 0 HG12 VAL A 109 10.695 -6.093 -0.913 1.00 0.86 H new ATOM 0 HG13 VAL A 109 12.101 -5.087 -1.335 1.00 0.86 H new ATOM 0 HG21 VAL A 109 12.259 -3.559 1.298 1.00 0.81 H new ATOM 0 HG22 VAL A 109 12.356 -2.807 -0.312 1.00 0.81 H new ATOM 0 HG23 VAL A 109 11.155 -2.231 0.868 1.00 0.81 H new ATOM 1671 N ASN A 110 11.007 -4.366 -3.097 1.00 0.50 N ATOM 1672 CA ASN A 110 11.838 -4.287 -4.331 1.00 0.52 C ATOM 1673 C ASN A 110 11.245 -3.263 -5.301 1.00 0.50 C ATOM 1674 O ASN A 110 11.952 -2.470 -5.889 1.00 0.59 O ATOM 1675 CB ASN A 110 11.782 -5.691 -4.934 1.00 0.59 C ATOM 1676 CG ASN A 110 13.050 -6.460 -4.557 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.853 -6.786 -5.409 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.265 -6.767 -3.307 1.00 1.29 N ATOM 0 H ASN A 110 10.693 -5.304 -2.847 1.00 0.50 H new ATOM 0 HA ASN A 110 12.861 -3.972 -4.123 1.00 0.52 H new ATOM 0 HB2 ASN A 110 10.901 -6.220 -4.569 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.690 -5.629 -6.018 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.107 -7.280 -3.045 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.591 -6.494 -2.592 1.00 1.29 H new ATOM 1685 N TRP A 111 9.954 -3.274 -5.466 1.00 0.46 N ATOM 1686 CA TRP A 111 9.314 -2.301 -6.396 1.00 0.51 C ATOM 1687 C TRP A 111 9.436 -0.883 -5.835 1.00 0.55 C ATOM 1688 O TRP A 111 9.464 0.085 -6.569 1.00 0.66 O ATOM 1689 CB TRP A 111 7.846 -2.726 -6.469 1.00 0.55 C ATOM 1690 CG TRP A 111 7.202 -2.093 -7.660 1.00 0.58 C ATOM 1691 CD1 TRP A 111 6.885 -2.738 -8.808 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.789 -0.707 -7.844 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.306 -1.836 -9.682 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.224 -0.572 -9.134 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.848 0.434 -7.023 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.738 0.652 -9.595 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.359 1.667 -7.484 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.806 1.776 -8.767 1.00 1.14 C ATOM 0 H TRP A 111 9.312 -3.914 -4.998 1.00 0.46 H new ATOM 0 HA TRP A 111 9.784 -2.297 -7.380 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.774 -3.811 -6.537 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.325 -2.428 -5.559 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.056 -3.785 -9.008 1.00 0.73 H new ATOM 0 HE1 TRP A 111 5.979 -2.076 -10.618 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.272 0.361 -6.032 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.312 0.730 -10.584 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.409 2.537 -6.846 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.433 2.728 -9.116 1.00 1.14 H new ATOM 1709 N LEU A 112 9.505 -0.752 -4.538 1.00 0.55 N ATOM 1710 CA LEU A 112 9.620 0.608 -3.933 1.00 0.65 C ATOM 1711 C LEU A 112 11.089 1.034 -3.831 1.00 0.65 C ATOM 1712 O LEU A 112 11.417 2.193 -3.985 1.00 0.75 O ATOM 1713 CB LEU A 112 9.001 0.475 -2.542 1.00 0.74 C ATOM 1714 CG LEU A 112 7.491 0.703 -2.635 1.00 0.86 C ATOM 1715 CD1 LEU A 112 6.796 -0.004 -1.470 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.195 2.203 -2.572 1.00 1.10 C ATOM 0 H LEU A 112 9.487 -1.524 -3.872 1.00 0.55 H new ATOM 0 HA LEU A 112 9.119 1.366 -4.535 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.206 -0.514 -2.133 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.448 1.200 -1.862 1.00 0.74 H new ATOM 0 HG LEU A 112 7.121 0.300 -3.578 1.00 0.86 H new ATOM 0 HD11 LEU A 112 5.720 0.158 -1.536 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.005 -1.073 -1.516 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.167 0.398 -0.527 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.119 2.365 -2.638 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.565 2.608 -1.630 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.689 2.707 -3.403 1.00 1.10 H new ATOM 1728 N LYS A 113 11.978 0.113 -3.569 1.00 0.62 N ATOM 1729 CA LYS A 113 13.419 0.487 -3.457 1.00 0.70 C ATOM 1730 C LYS A 113 14.071 0.585 -4.846 1.00 0.75 C ATOM 1731 O LYS A 113 15.251 0.849 -4.966 1.00 1.01 O ATOM 1732 CB LYS A 113 14.062 -0.634 -2.627 1.00 0.79 C ATOM 1733 CG LYS A 113 14.100 -1.936 -3.436 1.00 1.42 C ATOM 1734 CD LYS A 113 14.463 -3.103 -2.513 1.00 1.84 C ATOM 1735 CE LYS A 113 15.820 -2.836 -1.857 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.218 -4.137 -1.248 1.00 2.86 N ATOM 0 H LYS A 113 11.771 -0.876 -3.428 1.00 0.62 H new ATOM 0 HA LYS A 113 13.549 1.463 -2.990 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.073 -0.348 -2.337 1.00 0.79 H new ATOM 0 HB3 LYS A 113 13.497 -0.785 -1.707 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.131 -2.115 -3.902 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.830 -1.855 -4.241 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.696 -3.227 -1.748 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.499 -4.032 -3.082 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.554 -2.503 -2.591 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.746 -2.053 -1.102 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.140 -4.033 -0.779 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.504 -4.426 -0.549 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.287 -4.861 -1.991 1.00 2.86 H new ATOM 1750 N LYS A 114 13.319 0.377 -5.895 1.00 0.71 N ATOM 1751 CA LYS A 114 13.911 0.460 -7.261 1.00 0.89 C ATOM 1752 C LYS A 114 14.188 1.919 -7.631 1.00 1.07 C ATOM 1753 O LYS A 114 15.044 2.212 -8.443 1.00 1.31 O ATOM 1754 CB LYS A 114 12.852 -0.137 -8.188 1.00 0.92 C ATOM 1755 CG LYS A 114 13.474 -0.414 -9.558 1.00 1.45 C ATOM 1756 CD LYS A 114 14.158 -1.784 -9.540 1.00 1.77 C ATOM 1757 CE LYS A 114 15.594 -1.647 -10.055 1.00 2.49 C ATOM 1758 NZ LYS A 114 16.444 -2.238 -8.984 1.00 3.00 N ATOM 0 H LYS A 114 12.324 0.154 -5.864 1.00 0.71 H new ATOM 0 HA LYS A 114 14.861 -0.070 -7.332 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.458 -1.060 -7.762 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.013 0.551 -8.290 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.705 -0.390 -10.330 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.198 0.363 -9.804 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.161 -2.187 -8.527 1.00 1.77 H new ATOM 0 HD3 LYS A 114 13.603 -2.487 -10.161 1.00 1.77 H new ATOM 0 HE2 LYS A 114 15.727 -2.174 -11.000 1.00 2.49 H new ATOM 0 HE3 LYS A 114 15.852 -0.603 -10.233 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 17.444 -2.181 -9.264 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 16.302 -1.712 -8.098 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 16.180 -3.234 -8.842 1.00 3.00 H new ATOM 1772 N ARG A 115 13.474 2.838 -7.042 1.00 1.09 N ATOM 1773 CA ARG A 115 13.700 4.277 -7.362 1.00 1.40 C ATOM 1774 C ARG A 115 14.144 5.050 -6.112 1.00 1.25 C ATOM 1775 O ARG A 115 14.358 6.244 -6.160 1.00 1.55 O ATOM 1776 CB ARG A 115 12.346 4.788 -7.856 1.00 1.86 C ATOM 1777 CG ARG A 115 11.276 4.514 -6.795 1.00 2.43 C ATOM 1778 CD ARG A 115 10.061 5.410 -7.050 1.00 2.92 C ATOM 1779 NE ARG A 115 9.255 4.685 -8.070 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.284 5.067 -9.317 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.901 6.272 -9.640 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.694 4.244 -10.243 1.00 4.52 N ATOM 0 H ARG A 115 12.744 2.656 -6.353 1.00 1.09 H new ATOM 0 HA ARG A 115 14.487 4.411 -8.104 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.403 5.857 -8.063 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.079 4.296 -8.791 1.00 1.86 H new ATOM 0 HG2 ARG A 115 10.980 3.465 -6.824 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.679 4.704 -5.800 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.489 5.569 -6.136 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.364 6.392 -7.412 1.00 2.92 H new ATOM 0 HE ARG A 115 8.680 3.889 -7.794 1.00 3.45 H new ATOM 0 HH11 ARG A 115 8.579 6.916 -8.917 1.00 4.34 H new ATOM 0 HH12 ARG A 115 8.924 6.570 -10.615 1.00 4.34 H new ATOM 0 HH21 ARG A 115 9.992 3.301 -9.992 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.716 4.543 -11.218 1.00 4.52 H new