USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 914 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 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 THR OG1 : rot 80:sc= -3.81 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.772 K(o=-0.77,f=-3!) USER MOD Single : A 24 HIS : no HD1:sc= -0.625 X(o=-0.63,f=-0.43) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -0.0378 (180deg=-0.25) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -116:sc= 1.26 USER MOD Single : A 38 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.27) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -172:sc= -6.37! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 68:sc= -0.363 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0.3 (180deg=0.298) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.4!) USER MOD Single : A 77 TYR OH : rot 86:sc= 0.606! USER MOD Single : A 82 TYR OH : rot -48:sc= -0.515 USER MOD Single : A 84 THR OG1 : rot -61:sc= -2.89! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.1) USER MOD Single : A 93 THR OG1 : rot 14:sc=-0.00228 USER MOD Single : A 95 SER OG : rot 58:sc= 0.604 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 130:sc= -4.76! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -5.626 11.876 17.734 1.00 7.08 N ATOM 2 CA ASP A 1 -4.360 11.570 17.009 1.00 6.65 C ATOM 3 C ASP A 1 -4.007 10.088 17.165 1.00 5.96 C ATOM 4 O ASP A 1 -3.372 9.688 18.120 1.00 6.16 O ATOM 5 CB ASP A 1 -3.299 12.447 17.676 1.00 7.15 C ATOM 6 CG ASP A 1 -2.755 11.737 18.918 1.00 7.15 C ATOM 7 OD1 ASP A 1 -1.876 10.905 18.761 1.00 7.22 O ATOM 8 OD2 ASP A 1 -3.225 12.038 20.002 1.00 7.37 O ATOM 0 H1 ASP A 1 -5.856 12.884 17.621 1.00 7.08 H new ATOM 0 H2 ASP A 1 -6.398 11.299 17.343 1.00 7.08 H new ATOM 0 H3 ASP A 1 -5.509 11.659 18.744 1.00 7.08 H new ATOM 0 HA ASP A 1 -4.438 11.767 15.940 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -2.488 12.651 16.976 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -3.730 13.409 17.954 1.00 7.15 H new ATOM 15 N ALA A 2 -4.414 9.270 16.233 1.00 5.41 N ATOM 16 CA ALA A 2 -4.102 7.815 16.329 1.00 4.78 C ATOM 17 C ALA A 2 -4.517 7.096 15.038 1.00 3.77 C ATOM 18 O ALA A 2 -5.681 6.813 14.839 1.00 3.42 O ATOM 19 CB ALA A 2 -4.930 7.311 17.512 1.00 5.00 C ATOM 0 H ALA A 2 -4.949 9.546 15.409 1.00 5.41 H new ATOM 0 HA ALA A 2 -3.037 7.630 16.467 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -4.756 6.244 17.650 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -4.637 7.846 18.415 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -5.988 7.484 17.315 1.00 5.00 H new ATOM 25 N PRO A 3 -3.548 6.826 14.195 1.00 3.56 N ATOM 26 CA PRO A 3 -3.835 6.136 12.914 1.00 2.78 C ATOM 27 C PRO A 3 -4.137 4.654 13.158 1.00 2.04 C ATOM 28 O PRO A 3 -3.591 4.037 14.052 1.00 2.31 O ATOM 29 CB PRO A 3 -2.547 6.304 12.116 1.00 3.38 C ATOM 30 CG PRO A 3 -1.474 6.495 13.141 1.00 4.09 C ATOM 31 CD PRO A 3 -2.116 7.131 14.347 1.00 4.30 C ATOM 0 HA PRO A 3 -4.705 6.541 12.397 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -2.350 5.428 11.498 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -2.608 7.161 11.445 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -1.021 5.540 13.406 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -0.678 7.128 12.750 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -1.717 6.720 15.274 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -1.938 8.206 14.373 1.00 4.30 H new ATOM 39 N GLU A 4 -4.999 4.077 12.365 1.00 1.37 N ATOM 40 CA GLU A 4 -5.334 2.635 12.547 1.00 1.14 C ATOM 41 C GLU A 4 -4.319 1.760 11.806 1.00 0.89 C ATOM 42 O GLU A 4 -4.116 1.900 10.616 1.00 1.30 O ATOM 43 CB GLU A 4 -6.728 2.474 11.939 1.00 1.67 C ATOM 44 CG GLU A 4 -7.273 1.084 12.274 1.00 2.39 C ATOM 45 CD GLU A 4 -8.211 1.181 13.479 1.00 2.65 C ATOM 46 OE1 GLU A 4 -7.801 1.746 14.480 1.00 3.09 O ATOM 47 OE2 GLU A 4 -9.322 0.687 13.381 1.00 3.05 O ATOM 0 H GLU A 4 -5.486 4.542 11.599 1.00 1.37 H new ATOM 0 HA GLU A 4 -5.309 2.332 13.594 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.397 3.242 12.328 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.683 2.608 10.858 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.807 0.674 11.416 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.451 0.402 12.493 1.00 2.39 H new ATOM 54 N GLU A 5 -3.678 0.859 12.500 1.00 1.00 N ATOM 55 CA GLU A 5 -2.675 -0.022 11.834 1.00 0.81 C ATOM 56 C GLU A 5 -3.016 -1.496 12.076 1.00 0.87 C ATOM 57 O GLU A 5 -3.805 -1.827 12.939 1.00 1.15 O ATOM 58 CB GLU A 5 -1.341 0.334 12.490 1.00 0.95 C ATOM 59 CG GLU A 5 -1.453 0.153 14.005 1.00 1.46 C ATOM 60 CD GLU A 5 -1.742 1.504 14.661 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.832 2.312 14.734 1.00 2.19 O ATOM 62 OE2 GLU A 5 -2.870 1.708 15.080 1.00 2.50 O ATOM 0 H GLU A 5 -3.805 0.695 13.499 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.652 0.123 10.754 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.548 -0.301 12.095 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.071 1.364 12.255 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -2.248 -0.554 14.239 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.528 -0.265 14.401 1.00 1.46 H new ATOM 69 N GLU A 6 -2.423 -2.382 11.322 1.00 0.79 N ATOM 70 CA GLU A 6 -2.711 -3.834 11.510 1.00 1.04 C ATOM 71 C GLU A 6 -1.589 -4.492 12.319 1.00 1.10 C ATOM 72 O GLU A 6 -1.716 -4.714 13.506 1.00 1.76 O ATOM 73 CB GLU A 6 -2.758 -4.415 10.096 1.00 1.28 C ATOM 74 CG GLU A 6 -4.211 -4.671 9.694 1.00 1.68 C ATOM 75 CD GLU A 6 -4.264 -5.812 8.676 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.349 -6.618 8.672 1.00 2.24 O ATOM 77 OE2 GLU A 6 -5.219 -5.861 7.918 1.00 2.63 O ATOM 0 H GLU A 6 -1.752 -2.164 10.585 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.641 -4.004 12.053 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.292 -3.725 9.393 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.190 -5.344 10.055 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.803 -4.925 10.573 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.646 -3.768 9.267 1.00 1.68 H new ATOM 84 N ASP A 7 -0.493 -4.801 11.682 1.00 1.27 N ATOM 85 CA ASP A 7 0.641 -5.440 12.410 1.00 1.35 C ATOM 86 C ASP A 7 1.929 -4.650 12.166 1.00 1.28 C ATOM 87 O ASP A 7 2.535 -4.132 13.082 1.00 2.01 O ATOM 88 CB ASP A 7 0.750 -6.844 11.815 1.00 1.53 C ATOM 89 CG ASP A 7 -0.107 -7.812 12.635 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.139 -7.929 13.824 1.00 2.36 O ATOM 91 OD2 ASP A 7 -0.993 -8.420 12.059 1.00 2.57 O ATOM 0 H ASP A 7 -0.333 -4.639 10.688 1.00 1.27 H new ATOM 0 HA ASP A 7 0.482 -5.467 13.488 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.418 -6.838 10.777 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.790 -7.171 11.816 1.00 1.53 H new ATOM 96 N HIS A 8 2.347 -4.547 10.933 1.00 1.21 N ATOM 97 CA HIS A 8 3.589 -3.782 10.626 1.00 1.11 C ATOM 98 C HIS A 8 3.324 -2.742 9.528 1.00 0.81 C ATOM 99 O HIS A 8 4.229 -2.078 9.061 1.00 0.87 O ATOM 100 CB HIS A 8 4.590 -4.832 10.142 1.00 1.32 C ATOM 101 CG HIS A 8 5.116 -5.600 11.323 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.050 -5.064 12.195 1.00 2.30 N ATOM 103 CD2 HIS A 8 4.845 -6.862 11.791 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.306 -5.994 13.134 1.00 2.53 C ATOM 105 NE2 HIS A 8 5.598 -7.108 12.935 1.00 2.33 N ATOM 0 H HIS A 8 1.881 -4.960 10.125 1.00 1.21 H new ATOM 0 HA HIS A 8 3.958 -3.234 11.493 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.110 -5.511 9.437 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.412 -4.350 9.612 1.00 1.32 H new ATOM 0 HD2 HIS A 8 4.153 -7.558 11.340 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.000 -5.856 13.950 1.00 2.53 H new ATOM 0 HE2 HIS A 8 5.607 -7.957 13.500 1.00 2.33 H new ATOM 113 N VAL A 9 2.092 -2.588 9.114 1.00 0.69 N ATOM 114 CA VAL A 9 1.777 -1.584 8.051 1.00 0.49 C ATOM 115 C VAL A 9 0.618 -0.707 8.530 1.00 0.41 C ATOM 116 O VAL A 9 0.010 -0.978 9.547 1.00 0.54 O ATOM 117 CB VAL A 9 1.373 -2.386 6.794 1.00 0.68 C ATOM 118 CG1 VAL A 9 1.595 -1.518 5.552 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.218 -3.660 6.658 1.00 0.89 C ATOM 0 H VAL A 9 1.291 -3.113 9.465 1.00 0.69 H new ATOM 0 HA VAL A 9 2.625 -0.936 7.831 1.00 0.49 H new ATOM 0 HB VAL A 9 0.324 -2.666 6.888 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.312 -2.078 4.661 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.985 -0.618 5.624 1.00 0.88 H new ATOM 0 HG13 VAL A 9 2.647 -1.239 5.486 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.913 -4.205 5.765 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.271 -3.391 6.577 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.071 -4.290 7.536 1.00 0.89 H new ATOM 129 N LEU A 10 0.305 0.345 7.824 1.00 0.41 N ATOM 130 CA LEU A 10 -0.814 1.225 8.277 1.00 0.54 C ATOM 131 C LEU A 10 -2.056 1.026 7.401 1.00 0.42 C ATOM 132 O LEU A 10 -2.026 0.328 6.408 1.00 0.59 O ATOM 133 CB LEU A 10 -0.280 2.655 8.146 1.00 0.83 C ATOM 134 CG LEU A 10 -0.022 2.981 6.674 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.973 4.093 6.224 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.426 3.446 6.502 1.00 1.49 C ATOM 0 H LEU A 10 0.769 0.633 6.962 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.120 0.997 9.298 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -0.998 3.361 8.563 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.641 2.762 8.718 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.192 2.091 6.068 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.790 4.326 5.175 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.004 3.762 6.348 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.803 4.984 6.829 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.611 3.679 5.453 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.596 4.337 7.107 1.00 1.49 H new ATOM 0 HD23 LEU A 10 2.103 2.654 6.823 1.00 1.49 H new ATOM 148 N VAL A 11 -3.148 1.639 7.768 1.00 0.54 N ATOM 149 CA VAL A 11 -4.396 1.497 6.965 1.00 0.46 C ATOM 150 C VAL A 11 -4.933 2.880 6.592 1.00 0.43 C ATOM 151 O VAL A 11 -4.781 3.835 7.329 1.00 0.54 O ATOM 152 CB VAL A 11 -5.378 0.766 7.884 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.745 0.672 7.201 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.853 -0.642 8.169 1.00 1.39 C ATOM 0 H VAL A 11 -3.230 2.234 8.592 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.234 0.954 6.034 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.478 1.315 8.820 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.444 0.151 7.856 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.119 1.675 6.995 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.647 0.122 6.265 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.551 -1.165 8.823 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.754 -1.190 7.232 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.880 -0.576 8.655 1.00 1.39 H new ATOM 164 N LEU A 12 -5.555 3.001 5.453 1.00 0.40 N ATOM 165 CA LEU A 12 -6.092 4.327 5.035 1.00 0.45 C ATOM 166 C LEU A 12 -7.613 4.360 5.172 1.00 0.44 C ATOM 167 O LEU A 12 -8.239 3.389 5.547 1.00 0.58 O ATOM 168 CB LEU A 12 -5.682 4.478 3.573 1.00 0.63 C ATOM 169 CG LEU A 12 -4.168 4.668 3.491 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.746 4.797 2.027 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.773 5.937 4.250 1.00 0.82 C ATOM 0 H LEU A 12 -5.715 2.240 4.793 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.706 5.137 5.654 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.981 3.596 3.006 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.192 5.332 3.126 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.670 3.807 3.936 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.666 4.932 1.970 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.027 3.893 1.486 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.244 5.657 1.579 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.693 6.074 4.193 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.272 6.798 3.805 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.072 5.844 5.294 1.00 0.82 H new ATOM 183 N ARG A 13 -8.206 5.479 4.868 1.00 0.47 N ATOM 184 CA ARG A 13 -9.687 5.598 4.974 1.00 0.55 C ATOM 185 C ARG A 13 -10.199 6.654 3.990 1.00 0.54 C ATOM 186 O ARG A 13 -9.443 7.217 3.221 1.00 0.73 O ATOM 187 CB ARG A 13 -9.947 6.036 6.416 1.00 0.69 C ATOM 188 CG ARG A 13 -9.938 4.809 7.333 1.00 1.19 C ATOM 189 CD ARG A 13 -10.716 5.122 8.614 1.00 1.28 C ATOM 190 NE ARG A 13 -11.055 3.791 9.192 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.395 3.692 10.449 1.00 2.30 C ATOM 192 NH1 ARG A 13 -10.641 4.223 11.372 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.488 3.061 10.783 1.00 2.68 N ATOM 0 H ARG A 13 -7.727 6.321 4.549 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.197 4.665 4.735 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.184 6.747 6.734 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.907 6.547 6.484 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.386 3.957 6.822 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -8.912 4.531 7.577 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.116 5.712 9.307 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.615 5.700 8.399 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.021 2.957 8.606 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -9.786 4.715 11.112 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -10.906 4.146 12.354 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.077 2.645 10.062 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -12.753 2.984 11.765 1.00 2.68 H new ATOM 207 N LYS A 14 -11.474 6.927 4.004 1.00 0.58 N ATOM 208 CA LYS A 14 -12.032 7.945 3.067 1.00 0.63 C ATOM 209 C LYS A 14 -11.389 9.313 3.316 1.00 0.65 C ATOM 210 O LYS A 14 -11.188 10.089 2.404 1.00 0.83 O ATOM 211 CB LYS A 14 -13.528 7.992 3.379 1.00 0.74 C ATOM 212 CG LYS A 14 -14.261 6.956 2.525 1.00 1.26 C ATOM 213 CD LYS A 14 -15.771 7.168 2.650 1.00 1.92 C ATOM 214 CE LYS A 14 -16.291 7.888 1.402 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.892 9.152 1.910 1.00 2.80 N ATOM 0 H LYS A 14 -12.155 6.489 4.624 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.838 7.692 2.025 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.696 7.791 4.437 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.921 8.989 3.178 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.955 7.046 1.483 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -13.996 5.949 2.849 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.275 6.209 2.766 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.994 7.755 3.541 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.484 8.090 0.698 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.030 7.283 0.876 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.271 9.701 1.112 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.661 8.929 2.573 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.164 9.710 2.400 1.00 2.80 H new ATOM 229 N SER A 15 -11.068 9.617 4.545 1.00 0.68 N ATOM 230 CA SER A 15 -10.444 10.938 4.846 1.00 0.88 C ATOM 231 C SER A 15 -8.941 10.777 5.096 1.00 0.81 C ATOM 232 O SER A 15 -8.167 11.686 4.875 1.00 1.05 O ATOM 233 CB SER A 15 -11.146 11.429 6.112 1.00 1.10 C ATOM 234 OG SER A 15 -11.656 12.737 5.894 1.00 1.68 O ATOM 0 H SER A 15 -11.210 9.009 5.352 1.00 0.68 H new ATOM 0 HA SER A 15 -10.552 11.639 4.019 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.957 10.751 6.377 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.448 11.434 6.949 1.00 1.10 H new ATOM 0 HG SER A 15 -12.108 13.051 6.705 1.00 1.68 H new ATOM 240 N ASN A 16 -8.524 9.632 5.560 1.00 0.65 N ATOM 241 CA ASN A 16 -7.072 9.422 5.826 1.00 0.68 C ATOM 242 C ASN A 16 -6.314 9.206 4.512 1.00 0.55 C ATOM 243 O ASN A 16 -5.117 9.398 4.437 1.00 0.56 O ATOM 244 CB ASN A 16 -7.004 8.171 6.700 1.00 0.87 C ATOM 245 CG ASN A 16 -5.548 7.892 7.082 1.00 0.91 C ATOM 246 OD1 ASN A 16 -4.691 8.736 6.907 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.231 6.737 7.597 1.00 0.98 N ATOM 0 H ASN A 16 -9.124 8.833 5.766 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.615 10.283 6.314 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.606 8.309 7.598 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.420 7.318 6.165 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.263 6.541 7.853 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -5.951 6.029 7.744 1.00 0.98 H new ATOM 254 N PHE A 17 -7.002 8.814 3.474 1.00 0.55 N ATOM 255 CA PHE A 17 -6.317 8.592 2.167 1.00 0.51 C ATOM 256 C PHE A 17 -5.752 9.912 1.641 1.00 0.46 C ATOM 257 O PHE A 17 -4.558 10.072 1.483 1.00 0.52 O ATOM 258 CB PHE A 17 -7.410 8.073 1.234 1.00 0.56 C ATOM 259 CG PHE A 17 -6.819 7.781 -0.125 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.564 8.830 -1.016 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.526 6.463 -0.493 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.017 8.561 -2.276 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.979 6.193 -1.753 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.724 7.242 -2.644 1.00 0.87 C ATOM 0 H PHE A 17 -8.007 8.638 3.474 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.483 7.895 2.249 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.858 7.170 1.649 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.207 8.811 1.144 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.789 9.847 -0.731 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.722 5.654 0.195 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.821 9.370 -2.964 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.754 5.176 -2.037 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.301 7.034 -3.616 1.00 0.87 H new ATOM 274 N ALA A 18 -6.606 10.859 1.367 1.00 0.52 N ATOM 275 CA ALA A 18 -6.125 12.173 0.849 1.00 0.66 C ATOM 276 C ALA A 18 -5.101 12.782 1.810 1.00 0.59 C ATOM 277 O ALA A 18 -4.314 13.629 1.438 1.00 0.75 O ATOM 278 CB ALA A 18 -7.376 13.049 0.772 1.00 0.84 C ATOM 0 H ALA A 18 -7.617 10.781 1.479 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.632 12.079 -0.118 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.106 14.037 0.398 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.100 12.591 0.098 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.815 13.144 1.765 1.00 0.84 H new ATOM 284 N GLU A 19 -5.102 12.355 3.043 1.00 0.46 N ATOM 285 CA GLU A 19 -4.125 12.905 4.021 1.00 0.49 C ATOM 286 C GLU A 19 -2.764 12.247 3.811 1.00 0.48 C ATOM 287 O GLU A 19 -1.786 12.900 3.509 1.00 0.56 O ATOM 288 CB GLU A 19 -4.692 12.539 5.392 1.00 0.55 C ATOM 289 CG GLU A 19 -3.854 13.207 6.485 1.00 0.69 C ATOM 290 CD GLU A 19 -3.854 12.328 7.737 1.00 1.04 C ATOM 291 OE1 GLU A 19 -3.612 11.140 7.601 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.098 12.857 8.808 1.00 1.66 O ATOM 0 H GLU A 19 -5.738 11.649 3.414 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.984 13.981 3.915 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.730 12.862 5.466 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.685 11.457 5.523 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.833 13.358 6.134 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -4.260 14.191 6.719 1.00 0.69 H new ATOM 299 N ALA A 20 -2.698 10.951 3.961 1.00 0.45 N ATOM 300 CA ALA A 20 -1.403 10.238 3.764 1.00 0.53 C ATOM 301 C ALA A 20 -0.757 10.663 2.443 1.00 0.57 C ATOM 302 O ALA A 20 0.376 11.099 2.406 1.00 0.71 O ATOM 303 CB ALA A 20 -1.771 8.755 3.731 1.00 0.57 C ATOM 0 H ALA A 20 -3.487 10.355 4.212 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.684 10.463 4.552 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.869 8.159 3.589 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.245 8.477 4.672 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.462 8.570 2.908 1.00 0.57 H new ATOM 309 N LEU A 21 -1.472 10.542 1.360 1.00 0.55 N ATOM 310 CA LEU A 21 -0.898 10.943 0.043 1.00 0.69 C ATOM 311 C LEU A 21 -0.404 12.389 0.114 1.00 0.75 C ATOM 312 O LEU A 21 0.648 12.725 -0.391 1.00 0.92 O ATOM 313 CB LEU A 21 -2.051 10.813 -0.954 1.00 0.74 C ATOM 314 CG LEU A 21 -1.873 9.534 -1.773 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.777 8.436 -1.210 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.250 9.803 -3.232 1.00 1.44 C ATOM 0 H LEU A 21 -2.427 10.184 1.328 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.047 10.326 -0.247 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.003 10.789 -0.424 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.075 11.680 -1.614 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.833 9.213 -1.719 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.650 7.525 -1.794 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.510 8.242 -0.171 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.817 8.758 -1.263 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -2.123 8.891 -3.815 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.290 10.126 -3.286 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -1.606 10.584 -3.636 1.00 1.44 H new ATOM 328 N ALA A 22 -1.155 13.240 0.753 1.00 0.71 N ATOM 329 CA ALA A 22 -0.732 14.664 0.878 1.00 0.85 C ATOM 330 C ALA A 22 -0.022 14.876 2.218 1.00 0.89 C ATOM 331 O ALA A 22 0.066 15.979 2.719 1.00 1.08 O ATOM 332 CB ALA A 22 -2.030 15.469 0.824 1.00 1.00 C ATOM 0 H ALA A 22 -2.045 13.012 1.195 1.00 0.71 H new ATOM 0 HA ALA A 22 -0.037 14.965 0.094 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.803 16.532 0.910 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.535 15.282 -0.123 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.679 15.169 1.647 1.00 1.00 H new ATOM 338 N ALA A 23 0.485 13.822 2.802 1.00 0.86 N ATOM 339 CA ALA A 23 1.187 13.954 4.109 1.00 0.93 C ATOM 340 C ALA A 23 2.605 13.386 4.001 1.00 0.85 C ATOM 341 O ALA A 23 3.548 13.938 4.533 1.00 0.95 O ATOM 342 CB ALA A 23 0.349 13.131 5.088 1.00 1.05 C ATOM 0 H ALA A 23 0.442 12.874 2.428 1.00 0.86 H new ATOM 0 HA ALA A 23 1.284 14.991 4.429 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.800 13.176 6.080 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.662 13.535 5.130 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.312 12.094 4.753 1.00 1.05 H new ATOM 348 N HIS A 24 2.761 12.288 3.312 1.00 0.83 N ATOM 349 CA HIS A 24 4.117 11.684 3.164 1.00 0.84 C ATOM 350 C HIS A 24 4.584 11.788 1.709 1.00 0.82 C ATOM 351 O HIS A 24 4.017 12.514 0.916 1.00 1.30 O ATOM 352 CB HIS A 24 3.946 10.220 3.570 1.00 0.95 C ATOM 353 CG HIS A 24 5.062 9.819 4.496 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.419 8.493 4.693 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.909 10.556 5.287 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.438 8.474 5.571 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.777 9.705 5.964 1.00 2.00 N ATOM 0 H HIS A 24 2.008 11.783 2.845 1.00 0.83 H new ATOM 0 HA HIS A 24 4.864 12.190 3.775 1.00 0.84 H new ATOM 0 HB2 HIS A 24 2.984 10.079 4.062 1.00 0.95 H new ATOM 0 HB3 HIS A 24 3.948 9.584 2.685 1.00 0.95 H new ATOM 0 HD2 HIS A 24 5.902 11.633 5.371 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.923 7.573 5.916 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.514 9.965 6.620 1.00 2.00 H new ATOM 365 N LYS A 25 5.610 11.067 1.351 1.00 0.72 N ATOM 366 CA LYS A 25 6.110 11.125 -0.053 1.00 0.69 C ATOM 367 C LYS A 25 5.671 9.876 -0.822 1.00 0.59 C ATOM 368 O LYS A 25 4.776 9.920 -1.641 1.00 0.68 O ATOM 369 CB LYS A 25 7.632 11.172 0.070 1.00 0.81 C ATOM 370 CG LYS A 25 8.159 12.435 -0.613 1.00 1.20 C ATOM 371 CD LYS A 25 9.268 13.052 0.240 1.00 1.51 C ATOM 372 CE LYS A 25 10.631 12.648 -0.326 1.00 2.06 C ATOM 373 NZ LYS A 25 10.820 13.514 -1.523 1.00 2.47 N ATOM 0 H LYS A 25 6.125 10.440 1.969 1.00 0.72 H new ATOM 0 HA LYS A 25 5.719 11.986 -0.596 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.923 11.165 1.120 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.072 10.287 -0.389 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.541 12.192 -1.605 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.349 13.152 -0.750 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.173 14.138 0.249 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.177 12.716 1.273 1.00 1.51 H new ATOM 0 HE2 LYS A 25 11.425 12.805 0.405 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.650 11.592 -0.595 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.991 12.919 -2.358 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.965 14.087 -1.675 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.635 14.142 -1.372 1.00 2.47 H new ATOM 387 N TYR A 26 6.291 8.759 -0.558 1.00 0.52 N ATOM 388 CA TYR A 26 5.906 7.506 -1.269 1.00 0.48 C ATOM 389 C TYR A 26 4.879 6.749 -0.427 1.00 0.46 C ATOM 390 O TYR A 26 5.056 6.571 0.763 1.00 0.53 O ATOM 391 CB TYR A 26 7.202 6.701 -1.401 1.00 0.56 C ATOM 392 CG TYR A 26 8.268 7.555 -2.049 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.182 7.867 -3.411 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.343 8.030 -1.289 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.170 8.655 -4.013 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.332 8.818 -1.891 1.00 1.31 C ATOM 397 CZ TYR A 26 10.239 9.145 -3.244 1.00 1.08 C ATOM 398 OH TYR A 26 11.221 9.905 -3.847 1.00 1.33 O ATOM 0 H TYR A 26 7.047 8.659 0.119 1.00 0.52 H new ATOM 0 HA TYR A 26 5.458 7.693 -2.245 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.536 6.368 -0.418 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.026 5.806 -1.998 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.353 7.500 -3.998 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.410 7.789 -0.238 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.111 8.886 -5.066 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.168 9.173 -1.307 1.00 1.31 H new ATOM 0 HH TYR A 26 11.888 10.167 -3.179 1.00 1.33 H new ATOM 408 N LEU A 27 3.802 6.317 -1.019 1.00 0.46 N ATOM 409 CA LEU A 27 2.770 5.596 -0.222 1.00 0.45 C ATOM 410 C LEU A 27 2.259 4.360 -0.952 1.00 0.40 C ATOM 411 O LEU A 27 1.853 4.423 -2.094 1.00 0.50 O ATOM 412 CB LEU A 27 1.626 6.593 -0.064 1.00 0.51 C ATOM 413 CG LEU A 27 1.770 7.350 1.253 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.594 8.309 1.405 1.00 1.93 C ATOM 415 CD2 LEU A 27 1.780 6.366 2.425 1.00 0.66 C ATOM 0 H LEU A 27 3.592 6.430 -2.011 1.00 0.46 H new ATOM 0 HA LEU A 27 3.180 5.255 0.729 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.627 7.295 -0.898 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.670 6.069 -0.089 1.00 0.51 H new ATOM 0 HG LEU A 27 2.707 7.907 1.250 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.688 8.855 2.344 1.00 1.93 H new ATOM 0 HD12 LEU A 27 0.590 9.014 0.574 1.00 1.93 H new ATOM 0 HD13 LEU A 27 -0.338 7.744 1.406 1.00 1.93 H new ATOM 0 HD21 LEU A 27 1.883 6.916 3.361 1.00 0.66 H new ATOM 0 HD22 LEU A 27 0.846 5.803 2.436 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.618 5.677 2.315 1.00 0.66 H new ATOM 427 N LEU A 28 2.240 3.244 -0.286 1.00 0.33 N ATOM 428 CA LEU A 28 1.710 2.016 -0.929 1.00 0.32 C ATOM 429 C LEU A 28 0.342 1.699 -0.331 1.00 0.29 C ATOM 430 O LEU A 28 0.206 1.524 0.859 1.00 0.35 O ATOM 431 CB LEU A 28 2.718 0.912 -0.607 1.00 0.40 C ATOM 432 CG LEU A 28 2.827 -0.042 -1.796 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.464 -0.686 -2.052 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.270 0.737 -3.036 1.00 0.73 C ATOM 0 H LEU A 28 2.568 3.129 0.673 1.00 0.33 H new ATOM 0 HA LEU A 28 1.585 2.122 -2.007 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.692 1.348 -0.386 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.404 0.366 0.283 1.00 0.40 H new ATOM 0 HG LEU A 28 3.561 -0.818 -1.578 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.537 -1.367 -2.900 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.151 -1.240 -1.167 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.731 0.090 -2.272 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.348 0.057 -3.884 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.538 1.513 -3.259 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.240 1.197 -2.849 1.00 0.73 H new ATOM 446 N VAL A 29 -0.677 1.651 -1.137 1.00 0.32 N ATOM 447 CA VAL A 29 -2.032 1.371 -0.588 1.00 0.32 C ATOM 448 C VAL A 29 -2.629 0.131 -1.259 1.00 0.34 C ATOM 449 O VAL A 29 -2.706 0.043 -2.469 1.00 0.47 O ATOM 450 CB VAL A 29 -2.847 2.626 -0.914 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.230 2.515 -0.267 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.122 3.866 -0.366 1.00 0.77 C ATOM 0 H VAL A 29 -0.633 1.792 -2.146 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.020 1.164 0.482 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.956 2.719 -1.995 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.812 3.407 -0.498 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.744 1.636 -0.656 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.120 2.423 0.813 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.702 4.759 -0.598 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.012 3.775 0.715 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.137 3.944 -0.825 1.00 0.77 H new ATOM 462 N GLU A 30 -3.047 -0.833 -0.480 1.00 0.32 N ATOM 463 CA GLU A 30 -3.630 -2.071 -1.073 1.00 0.39 C ATOM 464 C GLU A 30 -5.092 -2.226 -0.647 1.00 0.36 C ATOM 465 O GLU A 30 -5.433 -2.069 0.507 1.00 0.42 O ATOM 466 CB GLU A 30 -2.785 -3.213 -0.511 1.00 0.52 C ATOM 467 CG GLU A 30 -3.325 -4.549 -1.026 1.00 0.64 C ATOM 468 CD GLU A 30 -2.320 -5.663 -0.719 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.443 -5.436 0.099 1.00 1.48 O ATOM 470 OE2 GLU A 30 -2.444 -6.724 -1.307 1.00 1.60 O ATOM 0 H GLU A 30 -3.010 -0.816 0.539 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.618 -2.052 -2.163 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.744 -3.090 -0.809 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.809 -3.195 0.579 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.283 -4.771 -0.556 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.502 -4.491 -2.100 1.00 0.64 H new ATOM 477 N PHE A 31 -5.957 -2.533 -1.574 1.00 0.35 N ATOM 478 CA PHE A 31 -7.397 -2.698 -1.229 1.00 0.36 C ATOM 479 C PHE A 31 -7.752 -4.183 -1.135 1.00 0.39 C ATOM 480 O PHE A 31 -7.578 -4.929 -2.078 1.00 0.49 O ATOM 481 CB PHE A 31 -8.149 -2.054 -2.393 1.00 0.41 C ATOM 482 CG PHE A 31 -8.118 -0.551 -2.250 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.964 0.163 -2.592 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.246 0.128 -1.772 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.936 1.556 -2.456 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.218 1.521 -1.635 1.00 0.59 C ATOM 487 CZ PHE A 31 -8.059 2.237 -1.995 1.00 0.53 C ATOM 0 H PHE A 31 -5.728 -2.677 -2.557 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.647 -2.246 -0.269 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.695 -2.348 -3.339 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.180 -2.406 -2.411 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.095 -0.361 -2.961 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.137 -0.423 -1.509 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -6.040 2.104 -2.710 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -10.082 2.045 -1.255 1.00 0.59 H new ATOM 0 HZ PHE A 31 -8.042 3.314 -1.913 1.00 0.53 H new ATOM 497 N TYR A 32 -8.250 -4.626 -0.011 1.00 0.37 N ATOM 498 CA TYR A 32 -8.612 -6.068 0.111 1.00 0.44 C ATOM 499 C TYR A 32 -9.862 -6.250 0.970 1.00 0.40 C ATOM 500 O TYR A 32 -10.492 -5.301 1.394 1.00 0.45 O ATOM 501 CB TYR A 32 -7.411 -6.741 0.780 1.00 0.54 C ATOM 502 CG TYR A 32 -7.230 -6.199 2.179 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.793 -4.882 2.363 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.489 -7.012 3.289 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.616 -4.377 3.656 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.310 -6.507 4.583 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.918 -5.198 4.775 1.00 0.77 C ATOM 508 OH TYR A 32 -6.696 -4.692 6.041 1.00 0.94 O ATOM 0 H TYR A 32 -8.420 -4.059 0.819 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.834 -6.501 -0.864 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.561 -7.820 0.815 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.510 -6.564 0.193 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.592 -4.255 1.507 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.827 -8.028 3.147 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.252 -3.371 3.802 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.480 -7.147 5.437 1.00 0.79 H new ATOM 0 HH TYR A 32 -5.999 -5.218 6.486 1.00 0.94 H new ATOM 518 N ALA A 33 -10.211 -7.475 1.229 1.00 0.40 N ATOM 519 CA ALA A 33 -11.411 -7.759 2.066 1.00 0.44 C ATOM 520 C ALA A 33 -11.185 -9.032 2.892 1.00 0.53 C ATOM 521 O ALA A 33 -10.315 -9.822 2.582 1.00 0.56 O ATOM 522 CB ALA A 33 -12.551 -7.962 1.068 1.00 0.49 C ATOM 0 H ALA A 33 -9.714 -8.301 0.895 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.626 -6.955 2.770 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.473 -8.176 1.608 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.680 -7.057 0.474 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.314 -8.797 0.409 1.00 0.49 H new ATOM 528 N PRO A 34 -11.983 -9.197 3.920 1.00 0.63 N ATOM 529 CA PRO A 34 -11.863 -10.397 4.787 1.00 0.78 C ATOM 530 C PRO A 34 -12.315 -11.656 4.035 1.00 0.82 C ATOM 531 O PRO A 34 -12.112 -12.764 4.488 1.00 0.96 O ATOM 532 CB PRO A 34 -12.800 -10.092 5.953 1.00 0.90 C ATOM 533 CG PRO A 34 -13.791 -9.118 5.400 1.00 0.81 C ATOM 534 CD PRO A 34 -13.065 -8.306 4.363 1.00 0.66 C ATOM 0 HA PRO A 34 -10.839 -10.591 5.108 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.292 -10.996 6.313 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.256 -9.668 6.797 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.641 -9.639 4.959 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.185 -8.476 6.188 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.721 -8.031 3.537 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.674 -7.379 4.782 1.00 0.66 H new ATOM 542 N TRP A 35 -12.923 -11.496 2.889 1.00 0.74 N ATOM 543 CA TRP A 35 -13.379 -12.686 2.114 1.00 0.83 C ATOM 544 C TRP A 35 -12.634 -12.776 0.774 1.00 0.78 C ATOM 545 O TRP A 35 -12.904 -13.643 -0.033 1.00 0.92 O ATOM 546 CB TRP A 35 -14.876 -12.460 1.885 1.00 0.91 C ATOM 547 CG TRP A 35 -15.088 -11.163 1.170 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.290 -9.968 1.771 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.128 -10.911 -0.265 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.445 -8.998 0.798 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.356 -9.530 -0.473 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.990 -11.738 -1.394 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.443 -8.989 -1.756 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.077 -11.196 -2.687 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.303 -9.825 -2.867 1.00 2.26 C ATOM 0 H TRP A 35 -13.123 -10.594 2.457 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.182 -13.619 2.643 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.292 -13.281 1.300 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.402 -12.450 2.840 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.325 -9.799 2.837 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.605 -8.010 0.995 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.816 -12.796 -1.266 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.617 -7.932 -1.890 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.969 -11.840 -3.547 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.369 -9.415 -3.864 1.00 2.26 H new ATOM 566 N CYS A 36 -11.698 -11.895 0.530 1.00 0.65 N ATOM 567 CA CYS A 36 -10.946 -11.945 -0.756 1.00 0.67 C ATOM 568 C CYS A 36 -10.261 -13.306 -0.915 1.00 0.84 C ATOM 569 O CYS A 36 -10.036 -14.015 0.046 1.00 1.63 O ATOM 570 CB CYS A 36 -9.906 -10.827 -0.646 1.00 0.58 C ATOM 571 SG CYS A 36 -8.842 -10.833 -2.111 1.00 1.07 S ATOM 0 H CYS A 36 -11.424 -11.145 1.165 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.595 -11.815 -1.622 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.404 -9.862 -0.551 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.304 -10.965 0.252 1.00 0.58 H new ATOM 576 N GLY A 37 -9.924 -13.674 -2.121 1.00 0.96 N ATOM 577 CA GLY A 37 -9.250 -14.984 -2.341 1.00 1.08 C ATOM 578 C GLY A 37 -7.755 -14.751 -2.556 1.00 1.00 C ATOM 579 O GLY A 37 -7.352 -13.791 -3.183 1.00 1.83 O ATOM 0 H GLY A 37 -10.087 -13.123 -2.964 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.409 -15.637 -1.483 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.680 -15.487 -3.207 1.00 1.08 H new ATOM 583 N HIS A 38 -6.925 -15.618 -2.037 1.00 0.89 N ATOM 584 CA HIS A 38 -5.448 -15.446 -2.206 1.00 0.97 C ATOM 585 C HIS A 38 -4.996 -14.092 -1.648 1.00 0.88 C ATOM 586 O HIS A 38 -3.925 -13.610 -1.959 1.00 1.13 O ATOM 587 CB HIS A 38 -5.208 -15.499 -3.714 1.00 1.32 C ATOM 588 CG HIS A 38 -4.277 -16.634 -4.036 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.252 -17.239 -5.283 1.00 2.39 N ATOM 590 CD2 HIS A 38 -3.332 -17.287 -3.285 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.322 -18.209 -5.245 1.00 2.85 C ATOM 592 NE2 HIS A 38 -2.730 -18.281 -4.049 1.00 2.87 N ATOM 0 H HIS A 38 -7.205 -16.440 -1.502 1.00 0.89 H new ATOM 0 HA HIS A 38 -4.888 -16.214 -1.672 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.154 -15.631 -4.239 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -4.782 -14.557 -4.058 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -3.092 -17.063 -2.256 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.082 -18.852 -6.079 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -1.995 -18.926 -3.759 1.00 2.87 H new ATOM 600 N CYS A 39 -5.801 -13.477 -0.828 1.00 0.79 N ATOM 601 CA CYS A 39 -5.414 -12.157 -0.252 1.00 0.88 C ATOM 602 C CYS A 39 -4.677 -12.358 1.075 1.00 0.82 C ATOM 603 O CYS A 39 -3.904 -11.523 1.501 1.00 1.00 O ATOM 604 CB CYS A 39 -6.735 -11.420 -0.028 1.00 1.08 C ATOM 605 SG CYS A 39 -7.034 -10.286 -1.406 1.00 1.00 S ATOM 0 H CYS A 39 -6.711 -13.830 -0.531 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.744 -11.599 -0.906 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.554 -12.135 0.053 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.701 -10.867 0.911 1.00 1.08 H new ATOM 610 N LYS A 40 -4.911 -13.462 1.729 1.00 0.78 N ATOM 611 CA LYS A 40 -4.224 -13.721 3.029 1.00 0.94 C ATOM 612 C LYS A 40 -2.807 -14.249 2.784 1.00 0.84 C ATOM 613 O LYS A 40 -1.965 -14.218 3.659 1.00 0.94 O ATOM 614 CB LYS A 40 -5.078 -14.782 3.724 1.00 1.21 C ATOM 615 CG LYS A 40 -6.499 -14.248 3.918 1.00 1.56 C ATOM 616 CD LYS A 40 -7.508 -15.306 3.467 1.00 2.11 C ATOM 617 CE LYS A 40 -8.822 -15.117 4.230 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.857 -16.231 5.219 1.00 3.29 N ATOM 0 H LYS A 40 -5.548 -14.197 1.421 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.126 -12.817 3.631 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.099 -15.694 3.128 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.641 -15.041 4.688 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.664 -13.996 4.965 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.636 -13.332 3.344 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.683 -15.223 2.394 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.110 -16.304 3.649 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -8.854 -14.147 4.727 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -9.679 -15.159 3.557 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -9.730 -16.169 5.781 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.832 -17.142 4.717 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.033 -16.161 5.850 1.00 3.29 H new ATOM 632 N ALA A 41 -2.536 -14.733 1.603 1.00 0.77 N ATOM 633 CA ALA A 41 -1.173 -15.260 1.309 1.00 0.86 C ATOM 634 C ALA A 41 -0.158 -14.114 1.288 1.00 0.75 C ATOM 635 O ALA A 41 1.013 -14.304 1.552 1.00 0.90 O ATOM 636 CB ALA A 41 -1.287 -15.905 -0.073 1.00 0.93 C ATOM 0 H ALA A 41 -3.199 -14.786 0.829 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.832 -15.971 2.062 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.321 -16.318 -0.362 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.029 -16.703 -0.042 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.593 -15.154 -0.801 1.00 0.93 H new ATOM 642 N LEU A 42 -0.598 -12.925 0.979 1.00 0.65 N ATOM 643 CA LEU A 42 0.341 -11.766 0.940 1.00 0.67 C ATOM 644 C LEU A 42 0.376 -11.054 2.298 1.00 0.63 C ATOM 645 O LEU A 42 1.252 -10.256 2.565 1.00 0.70 O ATOM 646 CB LEU A 42 -0.221 -10.838 -0.136 1.00 0.82 C ATOM 647 CG LEU A 42 0.901 -9.947 -0.674 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.711 -10.722 -1.714 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.296 -8.699 -1.322 1.00 1.37 C ATOM 0 H LEU A 42 -1.568 -12.705 0.752 1.00 0.65 H new ATOM 0 HA LEU A 42 1.363 -12.075 0.722 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.656 -11.423 -0.946 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.021 -10.224 0.279 1.00 0.82 H new ATOM 0 HG LEU A 42 1.554 -9.648 0.146 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.511 -10.089 -2.098 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.142 -11.610 -1.252 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.059 -11.021 -2.535 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.095 -8.064 -1.705 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.357 -8.995 -2.143 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.281 -8.147 -0.580 1.00 1.37 H new ATOM 661 N ALA A 43 -0.568 -11.333 3.159 1.00 0.71 N ATOM 662 CA ALA A 43 -0.584 -10.668 4.497 1.00 0.73 C ATOM 663 C ALA A 43 0.800 -10.741 5.159 1.00 0.67 C ATOM 664 O ALA A 43 1.358 -9.726 5.527 1.00 0.65 O ATOM 665 CB ALA A 43 -1.609 -11.451 5.317 1.00 0.88 C ATOM 0 H ALA A 43 -1.329 -11.992 2.994 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.838 -9.611 4.421 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.679 -11.022 6.317 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.583 -11.397 4.830 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.297 -12.493 5.390 1.00 0.88 H new ATOM 671 N PRO A 44 1.313 -11.941 5.299 1.00 0.69 N ATOM 672 CA PRO A 44 2.643 -12.118 5.933 1.00 0.70 C ATOM 673 C PRO A 44 3.765 -11.653 4.997 1.00 0.59 C ATOM 674 O PRO A 44 4.917 -11.600 5.381 1.00 0.65 O ATOM 675 CB PRO A 44 2.724 -13.619 6.188 1.00 0.83 C ATOM 676 CG PRO A 44 1.799 -14.235 5.185 1.00 0.84 C ATOM 677 CD PRO A 44 0.718 -13.226 4.895 1.00 0.76 C ATOM 0 HA PRO A 44 2.760 -11.530 6.843 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.743 -13.986 6.062 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.421 -13.863 7.206 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.338 -14.494 4.273 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.369 -15.158 5.574 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.445 -13.225 3.840 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.190 -13.440 5.459 1.00 0.76 H new ATOM 685 N GLU A 45 3.444 -11.295 3.783 1.00 0.53 N ATOM 686 CA GLU A 45 4.499 -10.814 2.847 1.00 0.46 C ATOM 687 C GLU A 45 4.463 -9.290 2.817 1.00 0.41 C ATOM 688 O GLU A 45 5.480 -8.625 2.794 1.00 0.47 O ATOM 689 CB GLU A 45 4.123 -11.393 1.482 1.00 0.48 C ATOM 690 CG GLU A 45 4.006 -12.915 1.587 1.00 0.61 C ATOM 691 CD GLU A 45 2.573 -13.339 1.262 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.244 -13.400 0.089 1.00 1.83 O ATOM 693 OE2 GLU A 45 1.826 -13.595 2.193 1.00 1.90 O ATOM 0 H GLU A 45 2.499 -11.315 3.400 1.00 0.53 H new ATOM 0 HA GLU A 45 5.504 -11.120 3.139 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.179 -10.968 1.143 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.877 -11.126 0.742 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.703 -13.393 0.898 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.275 -13.243 2.591 1.00 0.61 H new ATOM 700 N TYR A 46 3.284 -8.739 2.844 1.00 0.43 N ATOM 701 CA TYR A 46 3.141 -7.261 2.847 1.00 0.48 C ATOM 702 C TYR A 46 3.371 -6.745 4.277 1.00 0.52 C ATOM 703 O TYR A 46 3.698 -5.594 4.487 1.00 0.69 O ATOM 704 CB TYR A 46 1.699 -7.035 2.347 1.00 0.64 C ATOM 705 CG TYR A 46 1.076 -5.788 2.940 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.341 -4.543 2.363 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.258 -5.876 4.072 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.784 -3.383 2.914 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.293 -4.717 4.628 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.119 -3.502 4.025 1.00 1.50 C ATOM 711 OH TYR A 46 -0.571 -2.327 4.605 1.00 1.95 O ATOM 0 H TYR A 46 2.405 -9.256 2.864 1.00 0.43 H new ATOM 0 HA TYR A 46 3.856 -6.728 2.220 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.702 -6.956 1.260 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.088 -7.901 2.602 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.976 -4.476 1.492 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.052 -6.839 4.516 1.00 1.03 H new ATOM 0 HE1 TYR A 46 1.030 -2.412 2.510 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -0.862 -4.782 5.544 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.073 -2.537 5.420 1.00 1.95 H new ATOM 721 N ALA A 47 3.213 -7.596 5.259 1.00 0.53 N ATOM 722 CA ALA A 47 3.435 -7.158 6.664 1.00 0.62 C ATOM 723 C ALA A 47 4.919 -7.287 7.016 1.00 0.58 C ATOM 724 O ALA A 47 5.428 -6.589 7.870 1.00 0.68 O ATOM 725 CB ALA A 47 2.594 -8.112 7.514 1.00 0.73 C ATOM 0 H ALA A 47 2.940 -8.572 5.146 1.00 0.53 H new ATOM 0 HA ALA A 47 3.154 -6.118 6.828 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.704 -7.854 8.567 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.546 -8.027 7.227 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.932 -9.136 7.354 1.00 0.73 H new ATOM 731 N LYS A 48 5.615 -8.176 6.359 1.00 0.51 N ATOM 732 CA LYS A 48 7.067 -8.349 6.650 1.00 0.55 C ATOM 733 C LYS A 48 7.876 -7.262 5.939 1.00 0.53 C ATOM 734 O LYS A 48 8.903 -6.825 6.420 1.00 0.65 O ATOM 735 CB LYS A 48 7.419 -9.730 6.096 1.00 0.60 C ATOM 736 CG LYS A 48 7.883 -10.636 7.239 1.00 1.03 C ATOM 737 CD LYS A 48 6.719 -10.879 8.202 1.00 1.41 C ATOM 738 CE LYS A 48 7.217 -10.769 9.645 1.00 1.92 C ATOM 739 NZ LYS A 48 6.040 -10.288 10.422 1.00 2.47 N ATOM 0 H LYS A 48 5.241 -8.789 5.634 1.00 0.51 H new ATOM 0 HA LYS A 48 7.291 -8.269 7.714 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.552 -10.167 5.601 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.204 -9.643 5.345 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.244 -11.585 6.842 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.716 -10.174 7.768 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.927 -10.151 8.023 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.290 -11.866 8.029 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.568 -11.732 10.016 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.053 -10.073 9.723 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.303 -10.187 11.423 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.732 -9.367 10.051 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 5.263 -10.974 10.335 1.00 2.47 H new ATOM 753 N ALA A 49 7.421 -6.823 4.798 1.00 0.47 N ATOM 754 CA ALA A 49 8.163 -5.763 4.058 1.00 0.50 C ATOM 755 C ALA A 49 8.097 -4.443 4.829 1.00 0.53 C ATOM 756 O ALA A 49 8.954 -3.592 4.698 1.00 0.65 O ATOM 757 CB ALA A 49 7.444 -5.637 2.716 1.00 0.55 C ATOM 0 H ALA A 49 6.568 -7.152 4.346 1.00 0.47 H new ATOM 0 HA ALA A 49 9.218 -6.007 3.931 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.933 -4.873 2.112 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.481 -6.592 2.192 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.405 -5.356 2.885 1.00 0.55 H new ATOM 763 N ALA A 50 7.085 -4.270 5.635 1.00 0.54 N ATOM 764 CA ALA A 50 6.962 -3.008 6.418 1.00 0.65 C ATOM 765 C ALA A 50 7.912 -3.039 7.619 1.00 0.65 C ATOM 766 O ALA A 50 8.279 -2.015 8.160 1.00 0.77 O ATOM 767 CB ALA A 50 5.507 -2.970 6.884 1.00 0.76 C ATOM 0 H ALA A 50 6.338 -4.948 5.785 1.00 0.54 H new ATOM 0 HA ALA A 50 7.222 -2.128 5.829 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.336 -2.067 7.470 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.847 -2.970 6.017 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.299 -3.846 7.499 1.00 0.76 H new ATOM 773 N GLY A 51 8.315 -4.208 8.039 1.00 0.59 N ATOM 774 CA GLY A 51 9.243 -4.302 9.200 1.00 0.69 C ATOM 775 C GLY A 51 10.676 -4.063 8.722 1.00 0.78 C ATOM 776 O GLY A 51 11.522 -3.613 9.468 1.00 0.90 O ATOM 0 H GLY A 51 8.041 -5.101 7.628 1.00 0.59 H new ATOM 0 HA2 GLY A 51 8.972 -3.566 9.957 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.162 -5.284 9.667 1.00 0.69 H new ATOM 780 N LYS A 52 10.954 -4.359 7.481 1.00 0.80 N ATOM 781 CA LYS A 52 12.332 -4.145 6.956 1.00 1.01 C ATOM 782 C LYS A 52 12.704 -2.662 7.047 1.00 1.12 C ATOM 783 O LYS A 52 13.614 -2.284 7.757 1.00 1.31 O ATOM 784 CB LYS A 52 12.276 -4.597 5.496 1.00 1.15 C ATOM 785 CG LYS A 52 12.450 -6.116 5.424 1.00 1.49 C ATOM 786 CD LYS A 52 13.686 -6.449 4.585 1.00 1.97 C ATOM 787 CE LYS A 52 14.948 -6.046 5.349 1.00 2.64 C ATOM 788 NZ LYS A 52 15.929 -7.133 5.075 1.00 3.08 N ATOM 0 H LYS A 52 10.287 -4.739 6.809 1.00 0.80 H new ATOM 0 HA LYS A 52 13.082 -4.697 7.523 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.324 -4.308 5.051 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.059 -4.103 4.921 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.556 -6.528 6.427 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.564 -6.574 4.984 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.709 -7.515 4.361 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.643 -5.924 3.631 1.00 1.97 H new ATOM 0 HE2 LYS A 52 15.324 -5.081 5.009 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.750 -5.953 6.417 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.822 -6.927 5.567 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.548 -8.039 5.415 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 16.103 -7.193 4.051 1.00 3.08 H new ATOM 802 N LEU A 53 12.005 -1.821 6.334 1.00 1.12 N ATOM 803 CA LEU A 53 12.321 -0.362 6.384 1.00 1.33 C ATOM 804 C LEU A 53 11.960 0.231 7.759 1.00 1.30 C ATOM 805 O LEU A 53 12.260 1.373 8.045 1.00 1.50 O ATOM 806 CB LEU A 53 11.493 0.273 5.244 1.00 1.55 C ATOM 807 CG LEU A 53 10.054 0.574 5.695 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.303 1.279 4.566 1.00 1.82 C ATOM 809 CD2 LEU A 53 9.341 -0.732 6.045 1.00 2.07 C ATOM 0 H LEU A 53 11.231 -2.078 5.721 1.00 1.12 H new ATOM 0 HA LEU A 53 13.385 -0.166 6.252 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.973 1.195 4.914 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.474 -0.401 4.387 1.00 1.55 H new ATOM 0 HG LEU A 53 10.078 1.218 6.574 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.283 1.492 4.885 1.00 1.82 H new ATOM 0 HD12 LEU A 53 9.809 2.212 4.320 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.281 0.636 3.687 1.00 1.82 H new ATOM 0 HD21 LEU A 53 8.322 -0.516 6.364 1.00 2.07 H new ATOM 0 HD22 LEU A 53 9.317 -1.380 5.169 1.00 2.07 H new ATOM 0 HD23 LEU A 53 9.875 -1.233 6.852 1.00 2.07 H new ATOM 821 N LYS A 54 11.317 -0.530 8.613 1.00 1.20 N ATOM 822 CA LYS A 54 10.948 0.005 9.959 1.00 1.35 C ATOM 823 C LYS A 54 12.165 0.660 10.616 1.00 1.40 C ATOM 824 O LYS A 54 12.130 1.810 11.005 1.00 1.67 O ATOM 825 CB LYS A 54 10.495 -1.214 10.762 1.00 1.46 C ATOM 826 CG LYS A 54 9.755 -0.748 12.017 1.00 1.91 C ATOM 827 CD LYS A 54 8.834 -1.865 12.513 1.00 2.50 C ATOM 828 CE LYS A 54 8.520 -1.647 13.994 1.00 2.87 C ATOM 829 NZ LYS A 54 7.385 -0.684 14.008 1.00 3.88 N ATOM 0 H LYS A 54 11.034 -1.494 8.436 1.00 1.20 H new ATOM 0 HA LYS A 54 10.169 0.765 9.902 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.844 -1.842 10.154 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.356 -1.822 11.039 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.470 -0.480 12.795 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.173 0.147 11.797 1.00 1.91 H new ATOM 0 HD2 LYS A 54 7.912 -1.875 11.932 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.311 -2.835 12.370 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.250 -2.583 14.482 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.383 -1.248 14.526 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.111 -0.484 14.991 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 7.674 0.200 13.542 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 6.575 -1.094 13.500 1.00 3.88 H new ATOM 843 N ALA A 55 13.249 -0.059 10.720 1.00 1.63 N ATOM 844 CA ALA A 55 14.473 0.532 11.328 1.00 2.20 C ATOM 845 C ALA A 55 15.069 1.553 10.358 1.00 2.03 C ATOM 846 O ALA A 55 15.569 2.588 10.753 1.00 2.38 O ATOM 847 CB ALA A 55 15.427 -0.646 11.530 1.00 2.78 C ATOM 0 H ALA A 55 13.339 -1.027 10.411 1.00 1.63 H new ATOM 0 HA ALA A 55 14.275 1.048 12.268 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.356 -0.290 11.976 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.965 -1.379 12.191 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.641 -1.110 10.567 1.00 2.78 H new ATOM 853 N GLU A 56 15.011 1.262 9.089 1.00 1.67 N ATOM 854 CA GLU A 56 15.560 2.200 8.069 1.00 1.70 C ATOM 855 C GLU A 56 15.071 1.771 6.670 1.00 1.53 C ATOM 856 O GLU A 56 13.906 1.906 6.357 1.00 1.98 O ATOM 857 CB GLU A 56 17.093 2.117 8.211 1.00 1.99 C ATOM 858 CG GLU A 56 17.554 0.655 8.321 1.00 2.69 C ATOM 859 CD GLU A 56 17.206 -0.091 7.032 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.517 0.421 5.970 1.00 3.64 O ATOM 861 OE2 GLU A 56 16.633 -1.164 7.128 1.00 3.63 O ATOM 0 H GLU A 56 14.603 0.407 8.711 1.00 1.67 H new ATOM 0 HA GLU A 56 15.229 3.229 8.209 1.00 1.70 H new ATOM 0 HB2 GLU A 56 17.568 2.589 7.351 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.411 2.671 9.094 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.629 0.614 8.498 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.072 0.174 9.173 1.00 2.69 H new ATOM 868 N GLY A 57 15.927 1.253 5.827 1.00 1.58 N ATOM 869 CA GLY A 57 15.481 0.820 4.472 1.00 2.25 C ATOM 870 C GLY A 57 15.160 2.045 3.616 1.00 1.97 C ATOM 871 O GLY A 57 15.768 2.275 2.588 1.00 2.50 O ATOM 0 H GLY A 57 16.918 1.112 6.021 1.00 1.58 H new ATOM 0 HA2 GLY A 57 16.261 0.226 3.995 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.601 0.183 4.555 1.00 2.25 H new ATOM 875 N SER A 58 14.205 2.827 4.029 1.00 1.30 N ATOM 876 CA SER A 58 13.831 4.038 3.241 1.00 1.23 C ATOM 877 C SER A 58 12.739 4.824 3.963 1.00 1.03 C ATOM 878 O SER A 58 12.317 4.479 5.048 1.00 1.27 O ATOM 879 CB SER A 58 13.307 3.503 1.908 1.00 1.53 C ATOM 880 OG SER A 58 13.927 4.204 0.840 1.00 2.13 O ATOM 0 H SER A 58 13.664 2.682 4.881 1.00 1.30 H new ATOM 0 HA SER A 58 14.675 4.714 3.106 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.514 2.436 1.826 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.225 3.623 1.856 1.00 1.53 H new ATOM 0 HG SER A 58 14.879 3.973 0.806 1.00 2.13 H new ATOM 886 N GLU A 59 12.280 5.880 3.357 1.00 0.85 N ATOM 887 CA GLU A 59 11.214 6.708 3.983 1.00 0.87 C ATOM 888 C GLU A 59 9.837 6.287 3.459 1.00 0.76 C ATOM 889 O GLU A 59 8.817 6.616 4.032 1.00 1.06 O ATOM 890 CB GLU A 59 11.539 8.137 3.555 1.00 1.10 C ATOM 891 CG GLU A 59 11.495 8.232 2.028 1.00 1.05 C ATOM 892 CD GLU A 59 10.113 7.810 1.528 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.838 6.622 1.537 1.00 2.22 O ATOM 894 OE2 GLU A 59 9.351 8.683 1.144 1.00 2.13 O ATOM 0 H GLU A 59 12.600 6.209 2.446 1.00 0.85 H new ATOM 0 HA GLU A 59 11.182 6.599 5.067 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.823 8.832 3.994 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.526 8.422 3.920 1.00 1.10 H new ATOM 0 HG2 GLU A 59 11.712 9.252 1.711 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.262 7.592 1.591 1.00 1.05 H new ATOM 901 N ILE A 60 9.798 5.559 2.374 1.00 0.59 N ATOM 902 CA ILE A 60 8.490 5.115 1.814 1.00 0.57 C ATOM 903 C ILE A 60 7.664 4.412 2.895 1.00 0.52 C ATOM 904 O ILE A 60 8.175 4.033 3.930 1.00 0.63 O ATOM 905 CB ILE A 60 8.848 4.144 0.685 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.769 3.036 1.214 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.568 4.905 -0.431 1.00 1.34 C ATOM 908 CD1 ILE A 60 8.930 1.837 1.648 1.00 1.60 C ATOM 0 H ILE A 60 10.618 5.253 1.851 1.00 0.59 H new ATOM 0 HA ILE A 60 7.890 5.950 1.452 1.00 0.57 H new ATOM 0 HB ILE A 60 7.932 3.696 0.299 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.476 2.737 0.440 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.355 3.407 2.055 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.824 4.215 -1.235 1.00 1.34 H new ATOM 0 HG22 ILE A 60 8.915 5.688 -0.818 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.479 5.355 -0.036 1.00 1.34 H new ATOM 0 HD11 ILE A 60 9.585 1.051 2.023 1.00 1.60 H new ATOM 0 HD12 ILE A 60 8.240 2.141 2.435 1.00 1.60 H new ATOM 0 HD13 ILE A 60 8.364 1.461 0.796 1.00 1.60 H new ATOM 920 N ARG A 61 6.389 4.238 2.666 1.00 0.45 N ATOM 921 CA ARG A 61 5.539 3.563 3.689 1.00 0.45 C ATOM 922 C ARG A 61 4.484 2.678 3.021 1.00 0.41 C ATOM 923 O ARG A 61 3.984 2.984 1.958 1.00 0.55 O ATOM 924 CB ARG A 61 4.874 4.702 4.461 1.00 0.51 C ATOM 925 CG ARG A 61 5.525 4.833 5.840 1.00 0.75 C ATOM 926 CD ARG A 61 4.491 5.352 6.843 1.00 0.97 C ATOM 927 NE ARG A 61 4.692 4.523 8.062 1.00 1.30 N ATOM 928 CZ ARG A 61 5.252 5.044 9.120 1.00 1.66 C ATOM 929 NH1 ARG A 61 6.374 5.704 9.005 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.692 4.906 10.290 1.00 2.21 N ATOM 0 H ARG A 61 5.902 4.532 1.820 1.00 0.45 H new ATOM 0 HA ARG A 61 6.123 2.911 4.339 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.975 5.637 3.909 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.807 4.508 4.568 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.911 3.867 6.166 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.374 5.515 5.790 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.643 6.410 7.055 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.477 5.247 6.456 1.00 0.97 H new ATOM 0 HE ARG A 61 4.392 3.548 8.071 1.00 1.30 H new ATOM 0 HH11 ARG A 61 6.811 5.812 8.090 1.00 2.19 H new ATOM 0 HH12 ARG A 61 6.813 6.112 9.831 1.00 2.19 H new ATOM 0 HH21 ARG A 61 3.816 4.391 10.379 1.00 2.21 H new ATOM 0 HH22 ARG A 61 5.130 5.313 11.116 1.00 2.21 H new ATOM 944 N LEU A 62 4.143 1.584 3.646 1.00 0.35 N ATOM 945 CA LEU A 62 3.119 0.676 3.058 1.00 0.36 C ATOM 946 C LEU A 62 1.792 0.827 3.803 1.00 0.32 C ATOM 947 O LEU A 62 1.762 1.118 4.982 1.00 0.38 O ATOM 948 CB LEU A 62 3.681 -0.734 3.245 1.00 0.48 C ATOM 949 CG LEU A 62 4.999 -0.865 2.478 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.635 -2.221 2.790 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.727 -0.764 0.975 1.00 1.59 C ATOM 0 H LEU A 62 4.530 1.280 4.539 1.00 0.35 H new ATOM 0 HA LEU A 62 2.923 0.899 2.009 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.843 -0.935 4.304 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.964 -1.473 2.886 1.00 0.48 H new ATOM 0 HG LEU A 62 5.677 -0.066 2.779 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.574 -2.317 2.245 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.828 -2.295 3.860 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.957 -3.019 2.488 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.665 -0.857 0.428 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.050 -1.563 0.673 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.271 0.201 0.752 1.00 1.59 H new ATOM 963 N ALA A 63 0.695 0.638 3.125 1.00 0.30 N ATOM 964 CA ALA A 63 -0.629 0.782 3.801 1.00 0.32 C ATOM 965 C ALA A 63 -1.649 -0.200 3.212 1.00 0.31 C ATOM 966 O ALA A 63 -1.400 -0.847 2.213 1.00 0.37 O ATOM 967 CB ALA A 63 -1.056 2.224 3.526 1.00 0.37 C ATOM 0 H ALA A 63 0.655 0.391 2.136 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.568 0.565 4.868 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.024 2.412 3.991 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.315 2.908 3.940 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.134 2.382 2.450 1.00 0.37 H new ATOM 973 N LYS A 64 -2.797 -0.314 3.827 1.00 0.30 N ATOM 974 CA LYS A 64 -3.833 -1.256 3.309 1.00 0.32 C ATOM 975 C LYS A 64 -5.236 -0.668 3.496 1.00 0.32 C ATOM 976 O LYS A 64 -5.462 0.170 4.346 1.00 0.40 O ATOM 977 CB LYS A 64 -3.677 -2.516 4.161 1.00 0.38 C ATOM 978 CG LYS A 64 -3.367 -3.713 3.260 1.00 1.39 C ATOM 979 CD LYS A 64 -3.583 -5.008 4.044 1.00 1.60 C ATOM 980 CE LYS A 64 -3.713 -6.180 3.070 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.923 -7.279 3.693 1.00 2.26 N ATOM 0 H LYS A 64 -3.062 0.204 4.665 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.709 -1.454 2.244 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -2.876 -2.378 4.888 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.591 -2.700 4.725 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.010 -3.696 2.380 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.338 -3.658 2.904 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.748 -5.177 4.724 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.481 -4.929 4.656 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.755 -6.469 2.935 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.324 -5.922 2.085 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.905 -8.099 3.054 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -1.951 -6.953 3.865 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.361 -7.553 4.595 1.00 2.26 H new ATOM 995 N VAL A 65 -6.182 -1.113 2.713 1.00 0.30 N ATOM 996 CA VAL A 65 -7.574 -0.592 2.849 1.00 0.32 C ATOM 997 C VAL A 65 -8.555 -1.757 3.000 1.00 0.31 C ATOM 998 O VAL A 65 -8.437 -2.769 2.342 1.00 0.36 O ATOM 999 CB VAL A 65 -7.854 0.166 1.548 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.330 0.586 1.498 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.966 1.411 1.484 1.00 0.70 C ATOM 0 H VAL A 65 -6.051 -1.815 1.985 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.687 0.048 3.724 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.637 -0.482 0.699 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.524 1.125 0.571 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.962 -0.301 1.541 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.553 1.233 2.347 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.164 1.952 0.559 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.183 2.057 2.335 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.918 1.112 1.513 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.532 -1.612 3.848 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.526 -2.704 4.020 1.00 0.39 C ATOM 1013 C ASP A 66 -11.712 -2.460 3.085 1.00 0.40 C ATOM 1014 O ASP A 66 -12.622 -1.722 3.405 1.00 0.44 O ATOM 1015 CB ASP A 66 -10.962 -2.625 5.483 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.004 -3.448 6.347 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.742 -4.585 5.989 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -9.548 -2.928 7.351 1.00 1.38 O ATOM 0 H ASP A 66 -9.685 -0.787 4.428 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.119 -3.686 3.781 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.968 -1.587 5.816 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -11.980 -3.001 5.591 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.699 -3.064 1.925 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.816 -2.867 0.949 1.00 0.46 C ATOM 1025 C ALA A 67 -14.178 -2.967 1.645 1.00 0.51 C ATOM 1026 O ALA A 67 -15.150 -2.380 1.214 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.654 -3.996 -0.068 1.00 0.51 C ATOM 0 H ALA A 67 -10.958 -3.690 1.609 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.778 -1.882 0.485 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.438 -3.922 -0.821 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.680 -3.915 -0.550 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.728 -4.957 0.441 1.00 0.51 H new ATOM 1033 N THR A 68 -14.251 -3.698 2.722 1.00 0.53 N ATOM 1034 CA THR A 68 -15.546 -3.825 3.447 1.00 0.62 C ATOM 1035 C THR A 68 -15.716 -2.653 4.415 1.00 0.64 C ATOM 1036 O THR A 68 -16.817 -2.250 4.733 1.00 0.86 O ATOM 1037 CB THR A 68 -15.447 -5.147 4.209 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.293 -5.130 5.036 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.345 -6.300 3.211 1.00 1.35 C ATOM 0 H THR A 68 -13.471 -4.212 3.131 1.00 0.53 H new ATOM 0 HA THR A 68 -16.404 -3.811 2.775 1.00 0.62 H new ATOM 0 HB THR A 68 -16.334 -5.280 4.828 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.229 -5.976 5.526 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.274 -7.244 3.752 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.231 -6.311 2.576 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.457 -6.169 2.593 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.630 -2.098 4.881 1.00 0.57 N ATOM 1048 CA GLU A 69 -14.725 -0.947 5.821 1.00 0.61 C ATOM 1049 C GLU A 69 -14.973 0.346 5.041 1.00 0.57 C ATOM 1050 O GLU A 69 -15.985 0.996 5.210 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.372 -0.897 6.533 1.00 0.63 C ATOM 1052 CG GLU A 69 -13.503 -0.071 7.814 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.185 1.394 7.514 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.243 1.636 6.776 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.886 2.249 8.028 1.00 2.22 O ATOM 0 H GLU A 69 -13.681 -2.393 4.651 1.00 0.57 H new ATOM 0 HA GLU A 69 -15.548 -1.057 6.528 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.036 -1.906 6.771 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -12.620 -0.457 5.878 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.513 -0.160 8.214 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -12.823 -0.453 8.576 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.063 0.723 4.186 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.264 1.971 3.399 1.00 0.57 C ATOM 1064 C GLU A 70 -15.156 1.686 2.190 1.00 0.72 C ATOM 1065 O GLU A 70 -16.263 2.176 2.091 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.865 2.387 2.950 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.036 2.779 4.174 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.590 2.317 3.981 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -9.946 2.817 3.073 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.151 1.471 4.743 1.00 1.89 O ATOM 0 H GLU A 70 -13.193 0.224 3.999 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.752 2.755 3.979 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.383 1.567 2.418 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.928 3.225 2.256 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.068 3.859 4.317 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.457 2.326 5.072 1.00 1.05 H new ATOM 1077 N SER A 71 -14.673 0.894 1.268 1.00 0.55 N ATOM 1078 CA SER A 71 -15.460 0.550 0.038 1.00 0.66 C ATOM 1079 C SER A 71 -15.612 1.777 -0.856 1.00 0.70 C ATOM 1080 O SER A 71 -15.193 1.785 -1.998 1.00 0.94 O ATOM 1081 CB SER A 71 -16.829 0.058 0.525 1.00 0.79 C ATOM 1082 OG SER A 71 -17.423 -0.750 -0.483 1.00 1.48 O ATOM 0 H SER A 71 -13.750 0.462 1.314 1.00 0.55 H new ATOM 0 HA SER A 71 -14.958 -0.215 -0.554 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.716 -0.514 1.446 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.473 0.907 0.754 1.00 0.79 H new ATOM 0 HG SER A 71 -18.297 -1.068 -0.175 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.203 2.815 -0.347 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.378 4.045 -1.164 1.00 0.71 C ATOM 1090 C ASP A 72 -15.014 4.561 -1.621 1.00 0.68 C ATOM 1091 O ASP A 72 -14.854 5.033 -2.728 1.00 0.77 O ATOM 1092 CB ASP A 72 -17.054 5.052 -0.232 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.027 6.091 0.223 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -15.052 5.699 0.843 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -16.234 7.260 -0.055 1.00 1.57 O ATOM 0 H ASP A 72 -16.574 2.867 0.602 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.971 3.869 -2.061 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -17.881 5.542 -0.746 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -17.476 4.539 0.632 1.00 0.78 H new ATOM 1100 N LEU A 73 -14.028 4.463 -0.775 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.669 4.935 -1.157 1.00 0.68 C ATOM 1102 C LEU A 73 -12.144 4.094 -2.318 1.00 0.60 C ATOM 1103 O LEU A 73 -11.542 4.599 -3.244 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.811 4.732 0.093 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.468 5.443 -0.079 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.666 6.955 0.045 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -9.501 4.967 1.008 1.00 1.22 C ATOM 0 H LEU A 73 -14.105 4.076 0.166 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.660 5.975 -1.483 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -12.330 5.122 0.969 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -11.650 3.668 0.266 1.00 0.83 H new ATOM 0 HG LEU A 73 -10.059 5.212 -1.063 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -9.707 7.459 -0.078 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -11.357 7.296 -0.726 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -11.075 7.189 1.028 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -8.542 5.472 0.889 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -9.914 5.200 1.990 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -9.357 3.890 0.921 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.384 2.814 -2.282 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.916 1.942 -3.393 1.00 0.56 C ATOM 1121 C ALA A 74 -12.859 2.103 -4.584 1.00 0.59 C ATOM 1122 O ALA A 74 -12.452 2.049 -5.727 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.978 0.518 -2.841 1.00 0.60 C ATOM 0 H ALA A 74 -12.883 2.335 -1.533 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.910 2.190 -3.732 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.646 -0.184 -3.606 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.329 0.437 -1.969 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.003 0.284 -2.553 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.118 2.319 -4.319 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.093 2.505 -5.427 1.00 0.76 C ATOM 1131 C GLN A 75 -14.872 3.872 -6.075 1.00 0.78 C ATOM 1132 O GLN A 75 -15.123 4.064 -7.249 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.469 2.436 -4.764 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.529 2.108 -5.816 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.747 1.484 -5.133 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.298 2.050 -4.211 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.194 0.330 -5.551 1.00 2.40 N ATOM 0 H GLN A 75 -14.513 2.375 -3.380 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.989 1.754 -6.210 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.470 1.676 -3.983 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.701 3.387 -4.284 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.821 3.013 -6.348 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.121 1.420 -6.557 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.731 -0.146 -6.326 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.006 -0.095 -5.103 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.393 4.823 -5.318 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.144 6.175 -5.889 1.00 0.84 C ATOM 1148 C GLN A 76 -13.009 6.101 -6.909 1.00 0.83 C ATOM 1149 O GLN A 76 -13.027 6.762 -7.928 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.740 7.038 -4.697 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.994 7.617 -4.044 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.612 8.322 -2.740 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.531 7.699 -1.701 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.372 9.604 -2.752 1.00 1.97 N ATOM 0 H GLN A 76 -14.164 4.720 -4.329 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.015 6.580 -6.404 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.182 6.442 -3.975 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -13.081 7.843 -5.023 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.478 8.320 -4.722 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.712 6.822 -3.843 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -14.440 10.127 -3.625 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -14.116 10.083 -1.889 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.023 5.294 -6.638 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.880 5.162 -7.584 1.00 0.81 C ATOM 1165 C TYR A 77 -11.216 4.140 -8.672 1.00 0.83 C ATOM 1166 O TYR A 77 -11.012 4.375 -9.846 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.711 4.671 -6.730 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.854 5.847 -6.328 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.339 6.784 -5.406 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -7.575 6.002 -6.876 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.544 7.874 -5.033 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -6.781 7.092 -6.503 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.264 8.028 -5.584 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.481 9.103 -5.213 1.00 1.22 O ATOM 0 H TYR A 77 -11.959 4.718 -5.799 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.648 6.101 -8.087 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.084 4.159 -5.843 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.117 3.948 -7.289 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.326 6.665 -4.983 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.201 5.280 -7.587 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.916 8.596 -4.321 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -5.794 7.210 -6.925 1.00 1.56 H new ATOM 0 HH TYR A 77 -5.991 8.883 -4.393 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.730 3.007 -8.285 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.081 1.963 -9.287 1.00 0.87 C ATOM 1186 C GLY A 78 -11.505 0.623 -8.834 1.00 0.88 C ATOM 1187 O GLY A 78 -10.614 0.077 -9.452 1.00 1.52 O ATOM 0 H GLY A 78 -11.923 2.758 -7.315 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.164 1.891 -9.392 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.683 2.232 -10.266 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.003 0.092 -7.751 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.477 -1.208 -7.250 1.00 0.79 C ATOM 1193 C VAL A 79 -12.620 -2.207 -7.051 1.00 1.13 C ATOM 1194 O VAL A 79 -13.268 -2.229 -6.023 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.821 -0.867 -5.912 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.311 -2.146 -5.250 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.647 0.085 -6.152 1.00 0.72 C ATOM 0 H VAL A 79 -12.751 0.502 -7.192 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.778 -1.670 -7.947 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.553 -0.390 -5.260 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.844 -1.901 -4.296 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.146 -2.826 -5.081 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.579 -2.625 -5.900 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.177 0.330 -5.200 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.917 -0.395 -6.804 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.010 0.998 -6.623 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.872 -3.036 -8.028 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.972 -4.035 -7.895 1.00 1.72 C ATOM 1209 C ARG A 80 -13.397 -5.430 -7.616 1.00 1.38 C ATOM 1210 O ARG A 80 -14.095 -6.321 -7.177 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.696 -4.011 -9.241 1.00 2.38 C ATOM 1212 CG ARG A 80 -13.721 -4.401 -10.355 1.00 2.85 C ATOM 1213 CD ARG A 80 -14.508 -4.806 -11.603 1.00 3.49 C ATOM 1214 NE ARG A 80 -13.573 -5.653 -12.393 1.00 4.06 N ATOM 1215 CZ ARG A 80 -13.574 -5.586 -13.696 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -12.817 -4.714 -14.305 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -14.330 -6.392 -14.391 1.00 5.09 N ATOM 0 H ARG A 80 -12.364 -3.065 -8.912 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.642 -3.800 -7.068 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -15.540 -4.701 -9.224 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -15.101 -3.017 -9.430 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -13.061 -3.565 -10.584 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.089 -5.226 -10.027 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.411 -5.357 -11.338 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.823 -3.931 -12.171 1.00 3.49 H new ATOM 0 HE ARG A 80 -12.931 -6.286 -11.916 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -12.225 -4.085 -13.762 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -12.818 -4.661 -15.324 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -14.920 -7.074 -13.915 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -14.330 -6.339 -15.410 1.00 5.09 H new ATOM 1231 N GLY A 81 -12.130 -5.628 -7.868 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.519 -6.964 -7.616 1.00 0.81 C ATOM 1233 C GLY A 81 -10.352 -6.811 -6.638 1.00 0.74 C ATOM 1234 O GLY A 81 -9.533 -5.924 -6.769 1.00 1.17 O ATOM 0 H GLY A 81 -11.493 -4.922 -8.237 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.264 -7.646 -7.207 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.169 -7.399 -8.552 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.270 -7.669 -5.658 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.155 -7.568 -4.670 1.00 0.52 C ATOM 1240 C TYR A 82 -8.161 -8.725 -4.872 1.00 0.54 C ATOM 1241 O TYR A 82 -8.520 -9.741 -5.434 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.818 -7.675 -3.289 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.003 -6.731 -3.179 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.010 -5.545 -3.922 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.088 -7.036 -2.342 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.095 -4.664 -3.829 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.172 -6.155 -2.250 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.205 -5.012 -2.959 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.243 -4.101 -2.901 1.00 0.85 O ATOM 0 H TYR A 82 -10.925 -8.435 -5.498 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.598 -6.638 -4.781 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.148 -8.700 -3.119 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.089 -7.441 -2.513 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.177 -5.309 -4.568 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.086 -7.951 -1.769 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.106 -3.743 -4.393 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.998 -6.397 -1.597 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.881 -3.201 -2.763 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.936 -8.548 -4.410 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.506 -7.305 -3.725 1.00 0.51 C ATOM 1261 C PRO A 83 -5.950 -6.300 -4.740 1.00 0.51 C ATOM 1262 O PRO A 83 -5.234 -6.663 -5.652 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.402 -7.791 -2.795 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.861 -9.047 -3.424 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.837 -9.508 -4.486 1.00 0.64 C ATOM 0 HA PRO A 83 -7.316 -6.795 -3.203 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.620 -7.039 -2.689 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.791 -7.990 -1.796 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.882 -8.859 -3.865 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.728 -9.822 -2.669 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.378 -9.509 -5.474 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.183 -10.524 -4.294 1.00 0.64 H new ATOM 1273 N THR A 84 -6.266 -5.042 -4.592 1.00 0.45 N ATOM 1274 CA THR A 84 -5.740 -4.030 -5.555 1.00 0.45 C ATOM 1275 C THR A 84 -4.597 -3.239 -4.912 1.00 0.43 C ATOM 1276 O THR A 84 -4.812 -2.408 -4.051 1.00 0.52 O ATOM 1277 CB THR A 84 -6.926 -3.113 -5.864 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.129 -3.869 -5.833 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.746 -2.496 -7.253 1.00 0.56 C ATOM 0 H THR A 84 -6.862 -4.672 -3.851 1.00 0.45 H new ATOM 0 HA THR A 84 -5.341 -4.489 -6.460 1.00 0.45 H new ATOM 0 HB THR A 84 -6.976 -2.319 -5.118 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.089 -4.576 -6.511 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.590 -1.843 -7.473 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.823 -1.916 -7.277 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.696 -3.289 -8.000 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.382 -3.494 -5.318 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.227 -2.759 -4.724 1.00 0.41 C ATOM 1289 C ILE A 85 -1.838 -1.571 -5.609 1.00 0.41 C ATOM 1290 O ILE A 85 -1.668 -1.705 -6.804 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.092 -3.781 -4.676 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.518 -4.977 -3.822 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.151 -3.134 -4.062 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.959 -6.263 -4.433 1.00 1.27 C ATOM 0 H ILE A 85 -3.139 -4.178 -6.034 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.460 -2.356 -3.738 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.865 -4.119 -5.687 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.153 -4.858 -2.802 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.605 -5.030 -3.768 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.961 -3.863 -4.027 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.455 -2.282 -4.669 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.076 -2.796 -3.051 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.262 -7.116 -3.826 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.345 -6.383 -5.445 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.129 -6.208 -4.464 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.694 -0.410 -5.029 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.313 0.783 -5.839 1.00 0.40 C ATOM 1308 C LYS A 86 -0.136 1.510 -5.183 1.00 0.38 C ATOM 1309 O LYS A 86 0.232 1.230 -4.060 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.557 1.678 -5.847 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.767 0.872 -6.327 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.736 1.796 -7.071 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.874 1.330 -8.521 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.187 2.567 -9.292 1.00 1.73 N ATOM 0 H LYS A 86 -1.823 -0.236 -4.032 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.001 0.513 -6.848 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.742 2.070 -4.847 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.396 2.535 -6.500 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.442 0.065 -6.983 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.269 0.410 -5.477 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.710 1.789 -6.581 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.371 2.823 -7.041 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.954 0.865 -8.876 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.666 0.589 -8.624 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.297 2.330 -10.299 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.071 2.984 -8.936 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -4.412 3.251 -9.180 1.00 1.73 H new ATOM 1328 N PHE A 87 0.456 2.445 -5.874 1.00 0.37 N ATOM 1329 CA PHE A 87 1.609 3.192 -5.291 1.00 0.36 C ATOM 1330 C PHE A 87 1.399 4.700 -5.471 1.00 0.33 C ATOM 1331 O PHE A 87 1.226 5.185 -6.572 1.00 0.37 O ATOM 1332 CB PHE A 87 2.836 2.709 -6.076 1.00 0.42 C ATOM 1333 CG PHE A 87 4.049 3.552 -5.732 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.249 4.005 -4.420 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.973 3.881 -6.731 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.370 4.786 -4.110 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.093 4.660 -6.421 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.292 5.113 -5.112 1.00 0.72 C ATOM 0 H PHE A 87 0.192 2.725 -6.818 1.00 0.37 H new ATOM 0 HA PHE A 87 1.724 3.015 -4.222 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.035 1.663 -5.845 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.637 2.767 -7.146 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.538 3.751 -3.648 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.821 3.533 -7.742 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.523 5.135 -3.100 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.805 4.912 -7.193 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.157 5.715 -4.875 1.00 0.72 H new ATOM 1348 N PHE A 88 1.409 5.443 -4.399 1.00 0.33 N ATOM 1349 CA PHE A 88 1.206 6.914 -4.511 1.00 0.35 C ATOM 1350 C PHE A 88 2.524 7.658 -4.280 1.00 0.42 C ATOM 1351 O PHE A 88 3.355 7.243 -3.497 1.00 0.61 O ATOM 1352 CB PHE A 88 0.197 7.246 -3.414 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.137 6.624 -3.752 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.661 6.749 -5.044 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.854 5.925 -2.771 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -2.898 6.176 -5.357 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.091 5.351 -3.084 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.607 5.463 -4.379 1.00 0.62 C ATOM 0 H PHE A 88 1.549 5.095 -3.451 1.00 0.33 H new ATOM 0 HA PHE A 88 0.854 7.211 -5.499 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.552 6.872 -2.454 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.092 8.327 -3.316 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.110 7.288 -5.800 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.451 5.830 -1.773 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.307 6.282 -6.351 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.648 4.821 -2.325 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.551 5.001 -4.626 1.00 0.62 H new ATOM 1368 N ARG A 89 2.722 8.757 -4.958 1.00 0.47 N ATOM 1369 CA ARG A 89 3.986 9.528 -4.780 1.00 0.55 C ATOM 1370 C ARG A 89 3.685 11.016 -4.576 1.00 0.64 C ATOM 1371 O ARG A 89 3.282 11.709 -5.489 1.00 1.05 O ATOM 1372 CB ARG A 89 4.766 9.317 -6.078 1.00 0.73 C ATOM 1373 CG ARG A 89 6.243 9.647 -5.846 1.00 1.15 C ATOM 1374 CD ARG A 89 6.745 10.562 -6.967 1.00 1.42 C ATOM 1375 NE ARG A 89 7.141 11.826 -6.287 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.308 12.361 -6.530 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.822 12.288 -7.726 1.00 2.56 N ATOM 1378 NH2 ARG A 89 8.957 12.972 -5.577 1.00 2.43 N ATOM 0 H ARG A 89 2.063 9.154 -5.627 1.00 0.47 H new ATOM 0 HA ARG A 89 4.545 9.197 -3.905 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.661 8.285 -6.414 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.360 9.952 -6.866 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.370 10.135 -4.880 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.832 8.730 -5.820 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.589 10.115 -7.492 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.967 10.740 -7.709 1.00 1.42 H new ATOM 0 HE ARG A 89 6.501 12.274 -5.631 1.00 1.73 H new ATOM 0 HH11 ARG A 89 8.313 11.813 -8.472 1.00 2.56 H new ATOM 0 HH12 ARG A 89 9.733 12.706 -7.916 1.00 2.56 H new ATOM 0 HH21 ARG A 89 8.553 13.032 -4.642 1.00 2.43 H new ATOM 0 HH22 ARG A 89 9.868 13.390 -5.767 1.00 2.43 H new ATOM 1392 N ASN A 90 3.885 11.512 -3.386 1.00 0.57 N ATOM 1393 CA ASN A 90 3.621 12.957 -3.123 1.00 0.68 C ATOM 1394 C ASN A 90 2.212 13.340 -3.589 1.00 0.69 C ATOM 1395 O ASN A 90 2.039 14.208 -4.420 1.00 0.98 O ATOM 1396 CB ASN A 90 4.675 13.703 -3.940 1.00 0.87 C ATOM 1397 CG ASN A 90 4.562 15.205 -3.671 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.301 15.617 -2.558 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.749 16.046 -4.651 1.00 1.74 N ATOM 0 H ASN A 90 4.220 10.980 -2.583 1.00 0.57 H new ATOM 0 HA ASN A 90 3.676 13.198 -2.061 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.672 13.350 -3.676 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.536 13.502 -5.002 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.676 17.049 -4.483 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.968 15.700 -5.585 1.00 1.74 H new ATOM 1406 N GLY A 91 1.205 12.701 -3.057 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.189 13.034 -3.468 1.00 0.75 C ATOM 1408 C GLY A 91 -0.318 12.940 -4.988 1.00 0.79 C ATOM 1409 O GLY A 91 -0.505 13.928 -5.669 1.00 1.19 O ATOM 0 H GLY A 91 1.287 11.964 -2.357 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.891 12.350 -2.991 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.446 14.039 -3.134 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.221 11.758 -5.524 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.339 11.596 -7.002 1.00 1.27 C ATOM 1415 C ASP A 92 -1.675 12.167 -7.487 1.00 1.14 C ATOM 1416 O ASP A 92 -1.716 13.162 -8.183 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.279 10.088 -7.242 1.00 1.93 C ATOM 1418 CG ASP A 92 1.071 9.724 -7.863 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.506 10.442 -8.748 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.647 8.735 -7.442 1.00 2.41 O ATOM 0 H ASP A 92 -0.065 10.894 -5.004 1.00 0.90 H new ATOM 0 HA ASP A 92 0.448 12.123 -7.542 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.415 9.554 -6.302 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.090 9.782 -7.903 1.00 1.93 H new ATOM 1425 N THR A 93 -2.765 11.539 -7.118 1.00 0.96 N ATOM 1426 CA THR A 93 -4.117 12.027 -7.543 1.00 1.33 C ATOM 1427 C THR A 93 -4.123 12.420 -9.026 1.00 1.26 C ATOM 1428 O THR A 93 -4.737 13.393 -9.418 1.00 1.90 O ATOM 1429 CB THR A 93 -4.400 13.246 -6.660 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.466 14.276 -6.954 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.280 12.851 -5.187 1.00 1.92 C ATOM 0 H THR A 93 -2.777 10.702 -6.535 1.00 0.96 H new ATOM 0 HA THR A 93 -4.877 11.253 -7.430 1.00 1.33 H new ATOM 0 HB THR A 93 -5.409 13.607 -6.857 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.007 14.071 -7.795 1.00 2.10 H new ATOM 0 HG21 THR A 93 -4.482 13.719 -4.560 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.001 12.065 -4.961 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.272 12.487 -4.989 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.444 11.671 -9.851 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.413 12.000 -11.306 1.00 1.18 C ATOM 1441 C ALA A 94 -2.675 10.904 -12.076 1.00 1.14 C ATOM 1442 O ALA A 94 -3.196 10.324 -13.006 1.00 1.48 O ATOM 1443 CB ALA A 94 -2.654 13.325 -11.396 1.00 1.24 C ATOM 0 H ALA A 94 -2.909 10.845 -9.581 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.412 12.074 -11.736 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -2.588 13.636 -12.438 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.182 14.087 -10.823 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -1.650 13.197 -10.991 1.00 1.24 H new ATOM 1449 N SER A 95 -1.466 10.618 -11.687 1.00 1.20 N ATOM 1450 CA SER A 95 -0.685 9.556 -12.385 1.00 1.22 C ATOM 1451 C SER A 95 -0.083 8.590 -11.357 1.00 0.98 C ATOM 1452 O SER A 95 1.122 8.506 -11.222 1.00 0.98 O ATOM 1453 CB SER A 95 0.419 10.303 -13.135 1.00 1.48 C ATOM 1454 OG SER A 95 1.242 10.988 -12.203 1.00 2.01 O ATOM 0 H SER A 95 -0.982 11.074 -10.914 1.00 1.20 H new ATOM 0 HA SER A 95 -1.301 8.961 -13.060 1.00 1.22 H new ATOM 0 HB2 SER A 95 1.016 9.602 -13.718 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.019 11.011 -13.839 1.00 1.48 H new ATOM 0 HG SER A 95 1.619 10.346 -11.566 1.00 2.01 H new ATOM 1460 N PRO A 96 -0.944 7.890 -10.657 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.480 6.926 -9.627 1.00 0.72 C ATOM 1462 C PRO A 96 0.134 5.687 -10.285 1.00 0.65 C ATOM 1463 O PRO A 96 -0.162 5.360 -11.417 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.754 6.563 -8.871 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.863 6.816 -9.844 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.413 7.930 -10.749 1.00 1.02 C ATOM 0 HA PRO A 96 0.293 7.338 -8.978 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.740 5.522 -8.550 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.868 7.172 -7.974 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.082 5.917 -10.420 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.779 7.091 -9.321 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.753 7.775 -11.773 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -2.808 8.893 -10.424 1.00 1.02 H new ATOM 1474 N LYS A 97 0.987 4.995 -9.580 1.00 0.55 N ATOM 1475 CA LYS A 97 1.621 3.776 -10.159 1.00 0.57 C ATOM 1476 C LYS A 97 0.849 2.526 -9.735 1.00 0.53 C ATOM 1477 O LYS A 97 -0.092 2.593 -8.969 1.00 0.89 O ATOM 1478 CB LYS A 97 3.036 3.751 -9.579 1.00 0.68 C ATOM 1479 CG LYS A 97 3.970 4.564 -10.480 1.00 0.85 C ATOM 1480 CD LYS A 97 4.767 5.555 -9.629 1.00 1.63 C ATOM 1481 CE LYS A 97 5.725 6.342 -10.526 1.00 2.05 C ATOM 1482 NZ LYS A 97 7.086 5.952 -10.066 1.00 2.61 N ATOM 0 H LYS A 97 1.273 5.221 -8.627 1.00 0.55 H new ATOM 0 HA LYS A 97 1.626 3.793 -11.249 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.035 4.165 -8.571 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.391 2.723 -9.502 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.649 3.898 -11.013 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.391 5.099 -11.233 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.089 6.237 -9.116 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.327 5.023 -8.860 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.577 6.093 -11.577 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.567 7.416 -10.427 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 7.801 6.451 -10.634 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.200 6.207 -9.064 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.210 4.925 -10.178 1.00 2.61 H new ATOM 1496 N GLU A 98 1.241 1.385 -10.227 1.00 0.51 N ATOM 1497 CA GLU A 98 0.535 0.128 -9.854 1.00 0.48 C ATOM 1498 C GLU A 98 1.549 -0.979 -9.552 1.00 0.45 C ATOM 1499 O GLU A 98 2.248 -1.452 -10.426 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.318 -0.233 -11.074 1.00 0.61 C ATOM 1501 CG GLU A 98 0.586 -0.495 -12.282 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.212 -0.285 -13.571 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -1.132 -1.051 -13.806 1.00 2.61 O ATOM 1504 OE2 GLU A 98 0.110 0.638 -14.300 1.00 2.79 O ATOM 0 H GLU A 98 2.022 1.268 -10.873 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.075 0.249 -8.959 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.919 -1.117 -10.860 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.012 0.578 -11.297 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.445 0.176 -12.260 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.976 -1.512 -12.244 1.00 1.33 H new ATOM 1511 N TYR A 99 1.635 -1.393 -8.318 1.00 0.45 N ATOM 1512 CA TYR A 99 2.605 -2.466 -7.954 1.00 0.46 C ATOM 1513 C TYR A 99 2.382 -3.701 -8.830 1.00 0.53 C ATOM 1514 O TYR A 99 1.265 -4.059 -9.145 1.00 0.67 O ATOM 1515 CB TYR A 99 2.308 -2.785 -6.489 1.00 0.52 C ATOM 1516 CG TYR A 99 3.272 -3.838 -5.998 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.513 -3.461 -5.473 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.923 -5.193 -6.068 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.407 -4.438 -5.018 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.818 -6.170 -5.612 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.059 -5.793 -5.089 1.00 1.70 C ATOM 1522 OH TYR A 99 5.941 -6.755 -4.638 1.00 2.27 O ATOM 0 H TYR A 99 1.075 -1.035 -7.544 1.00 0.45 H new ATOM 0 HA TYR A 99 3.640 -2.157 -8.102 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.399 -1.883 -5.884 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.282 -3.138 -6.383 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.781 -2.416 -5.419 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.965 -5.484 -6.473 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.365 -4.147 -4.612 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.549 -7.215 -5.664 1.00 1.49 H new ATOM 0 HH TYR A 99 5.475 -7.367 -4.031 1.00 2.27 H new ATOM 1532 N THR A 100 3.439 -4.357 -9.224 1.00 0.60 N ATOM 1533 CA THR A 100 3.291 -5.571 -10.079 1.00 0.72 C ATOM 1534 C THR A 100 4.512 -6.479 -9.911 1.00 0.83 C ATOM 1535 O THR A 100 5.387 -6.521 -10.754 1.00 1.71 O ATOM 1536 CB THR A 100 3.208 -5.039 -11.510 1.00 0.93 C ATOM 1537 OG1 THR A 100 3.124 -6.131 -12.416 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.453 -4.208 -11.824 1.00 1.13 C ATOM 0 H THR A 100 4.400 -4.105 -8.991 1.00 0.60 H new ATOM 0 HA THR A 100 2.414 -6.163 -9.815 1.00 0.72 H new ATOM 0 HB THR A 100 2.322 -4.412 -11.612 1.00 0.93 H new ATOM 0 HG1 THR A 100 3.069 -5.791 -13.334 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.391 -3.830 -12.845 1.00 1.13 H new ATOM 0 HG22 THR A 100 4.515 -3.370 -11.130 1.00 1.13 H new ATOM 0 HG23 THR A 100 5.342 -4.831 -11.721 1.00 1.13 H new ATOM 1546 N ALA A 101 4.582 -7.200 -8.826 1.00 0.83 N ATOM 1547 CA ALA A 101 5.751 -8.099 -8.602 1.00 1.01 C ATOM 1548 C ALA A 101 5.282 -9.550 -8.429 1.00 1.36 C ATOM 1549 O ALA A 101 4.307 -9.969 -9.021 1.00 1.98 O ATOM 1550 CB ALA A 101 6.400 -7.582 -7.318 1.00 0.87 C ATOM 0 H ALA A 101 3.881 -7.206 -8.085 1.00 0.83 H new ATOM 0 HA ALA A 101 6.446 -8.094 -9.441 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.272 -8.191 -7.080 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.708 -6.546 -7.458 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.683 -7.640 -6.499 1.00 0.87 H new ATOM 1556 N GLY A 102 5.970 -10.320 -7.627 1.00 1.17 N ATOM 1557 CA GLY A 102 5.561 -11.740 -7.427 1.00 1.71 C ATOM 1558 C GLY A 102 4.526 -11.824 -6.304 1.00 1.08 C ATOM 1559 O GLY A 102 3.377 -11.471 -6.479 1.00 1.27 O ATOM 0 H GLY A 102 6.795 -10.027 -7.104 1.00 1.17 H new ATOM 0 HA2 GLY A 102 5.144 -12.142 -8.350 1.00 1.71 H new ATOM 0 HA3 GLY A 102 6.431 -12.348 -7.179 1.00 1.71 H new ATOM 1563 N ARG A 103 4.923 -12.290 -5.151 1.00 0.90 N ATOM 1564 CA ARG A 103 3.955 -12.394 -4.020 1.00 1.11 C ATOM 1565 C ARG A 103 4.697 -12.605 -2.696 1.00 0.94 C ATOM 1566 O ARG A 103 4.362 -13.477 -1.918 1.00 1.04 O ATOM 1567 CB ARG A 103 3.090 -13.611 -4.351 1.00 1.71 C ATOM 1568 CG ARG A 103 1.613 -13.222 -4.264 1.00 2.44 C ATOM 1569 CD ARG A 103 0.774 -14.207 -5.080 1.00 3.16 C ATOM 1570 NE ARG A 103 0.121 -13.377 -6.130 1.00 3.73 N ATOM 1571 CZ ARG A 103 -1.172 -13.198 -6.111 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -1.793 -13.054 -4.973 1.00 4.84 N ATOM 1573 NH2 ARG A 103 -1.842 -13.163 -7.230 1.00 4.81 N ATOM 0 H ARG A 103 5.871 -12.602 -4.943 1.00 0.90 H new ATOM 0 HA ARG A 103 3.360 -11.488 -3.904 1.00 1.11 H new ATOM 0 HB2 ARG A 103 3.323 -13.976 -5.351 1.00 1.71 H new ATOM 0 HB3 ARG A 103 3.305 -14.424 -3.657 1.00 1.71 H new ATOM 0 HG2 ARG A 103 1.286 -13.225 -3.224 1.00 2.44 H new ATOM 0 HG3 ARG A 103 1.471 -12.209 -4.640 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.397 -14.985 -5.522 1.00 3.16 H new ATOM 0 HD3 ARG A 103 0.034 -14.708 -4.455 1.00 3.16 H new ATOM 0 HE ARG A 103 0.684 -12.948 -6.864 1.00 3.73 H new ATOM 0 HH11 ARG A 103 -1.268 -13.081 -4.099 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -2.803 -12.914 -4.957 1.00 4.84 H new ATOM 0 HH21 ARG A 103 -1.356 -13.276 -8.119 1.00 4.81 H new ATOM 0 HH22 ARG A 103 -2.852 -13.023 -7.215 1.00 4.81 H new ATOM 1587 N GLU A 104 5.698 -11.810 -2.430 1.00 0.75 N ATOM 1588 CA GLU A 104 6.452 -11.964 -1.152 1.00 0.66 C ATOM 1589 C GLU A 104 6.982 -10.603 -0.685 1.00 0.56 C ATOM 1590 O GLU A 104 7.207 -9.709 -1.477 1.00 0.57 O ATOM 1591 CB GLU A 104 7.605 -12.918 -1.479 1.00 0.79 C ATOM 1592 CG GLU A 104 8.548 -12.265 -2.492 1.00 1.59 C ATOM 1593 CD GLU A 104 9.484 -13.327 -3.073 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.021 -14.123 -3.872 1.00 2.04 O ATOM 1595 OE2 GLU A 104 10.648 -13.325 -2.708 1.00 2.51 O ATOM 0 H GLU A 104 6.026 -11.062 -3.041 1.00 0.75 H new ATOM 0 HA GLU A 104 5.828 -12.351 -0.346 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.151 -13.168 -0.569 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.213 -13.852 -1.883 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.973 -11.795 -3.290 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.128 -11.477 -2.011 1.00 1.59 H new ATOM 1602 N ALA A 105 7.176 -10.438 0.596 1.00 0.50 N ATOM 1603 CA ALA A 105 7.683 -9.133 1.121 1.00 0.44 C ATOM 1604 C ALA A 105 8.893 -8.650 0.313 1.00 0.45 C ATOM 1605 O ALA A 105 9.034 -7.475 0.031 1.00 0.47 O ATOM 1606 CB ALA A 105 8.088 -9.422 2.566 1.00 0.47 C ATOM 0 H ALA A 105 7.005 -11.151 1.305 1.00 0.50 H new ATOM 0 HA ALA A 105 6.931 -8.347 1.050 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.473 -8.511 3.025 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.219 -9.771 3.124 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.861 -10.190 2.580 1.00 0.47 H new ATOM 1612 N ASP A 106 9.771 -9.540 -0.058 1.00 0.51 N ATOM 1613 CA ASP A 106 10.969 -9.120 -0.841 1.00 0.56 C ATOM 1614 C ASP A 106 10.542 -8.428 -2.136 1.00 0.54 C ATOM 1615 O ASP A 106 11.183 -7.503 -2.596 1.00 0.64 O ATOM 1616 CB ASP A 106 11.725 -10.414 -1.144 1.00 0.67 C ATOM 1617 CG ASP A 106 12.236 -11.028 0.162 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.430 -11.594 0.882 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.424 -10.923 0.418 1.00 1.82 O ATOM 0 H ASP A 106 9.712 -10.538 0.146 1.00 0.51 H new ATOM 0 HA ASP A 106 11.588 -8.409 -0.294 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.070 -11.118 -1.657 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.561 -10.211 -1.813 1.00 0.67 H new ATOM 1624 N ASP A 107 9.464 -8.860 -2.724 1.00 0.50 N ATOM 1625 CA ASP A 107 9.000 -8.215 -3.985 1.00 0.52 C ATOM 1626 C ASP A 107 8.460 -6.818 -3.674 1.00 0.51 C ATOM 1627 O ASP A 107 8.494 -5.928 -4.501 1.00 0.63 O ATOM 1628 CB ASP A 107 7.891 -9.123 -4.519 1.00 0.55 C ATOM 1629 CG ASP A 107 8.497 -10.153 -5.475 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.356 -9.775 -6.254 1.00 1.41 O ATOM 1631 OD2 ASP A 107 8.090 -11.301 -5.411 1.00 1.39 O ATOM 0 H ASP A 107 8.884 -9.629 -2.389 1.00 0.50 H new ATOM 0 HA ASP A 107 9.800 -8.097 -4.716 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.389 -9.627 -3.693 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.137 -8.530 -5.036 1.00 0.55 H new ATOM 1636 N ILE A 108 7.972 -6.620 -2.481 1.00 0.46 N ATOM 1637 CA ILE A 108 7.442 -5.279 -2.104 1.00 0.52 C ATOM 1638 C ILE A 108 8.591 -4.269 -2.048 1.00 0.50 C ATOM 1639 O ILE A 108 8.496 -3.172 -2.564 1.00 0.52 O ATOM 1640 CB ILE A 108 6.836 -5.468 -0.713 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.688 -6.486 -0.784 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.310 -4.126 -0.196 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.534 -5.920 -1.617 1.00 0.68 C ATOM 0 H ILE A 108 7.917 -7.329 -1.750 1.00 0.46 H new ATOM 0 HA ILE A 108 6.710 -4.904 -2.819 1.00 0.52 H new ATOM 0 HB ILE A 108 7.601 -5.840 -0.032 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.044 -7.417 -1.226 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.339 -6.723 0.221 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.878 -4.262 0.796 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.131 -3.411 -0.139 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.546 -3.748 -0.876 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.725 -6.649 -1.661 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.170 -5.001 -1.157 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.885 -5.706 -2.626 1.00 0.68 H new ATOM 1655 N VAL A 109 9.678 -4.633 -1.422 1.00 0.51 N ATOM 1656 CA VAL A 109 10.834 -3.695 -1.327 1.00 0.56 C ATOM 1657 C VAL A 109 11.529 -3.565 -2.685 1.00 0.51 C ATOM 1658 O VAL A 109 11.911 -2.488 -3.097 1.00 0.55 O ATOM 1659 CB VAL A 109 11.773 -4.331 -0.303 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.980 -3.417 -0.080 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.028 -4.523 1.020 1.00 0.86 C ATOM 0 H VAL A 109 9.815 -5.538 -0.973 1.00 0.51 H new ATOM 0 HA VAL A 109 10.527 -2.691 -1.034 1.00 0.56 H new ATOM 0 HB VAL A 109 12.113 -5.298 -0.673 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.650 -3.871 0.650 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.511 -3.279 -1.022 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.640 -2.450 0.291 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.697 -4.977 1.752 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.688 -3.556 1.390 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.168 -5.174 0.862 1.00 0.86 H new ATOM 1671 N ASN A 110 11.701 -4.654 -3.382 1.00 0.50 N ATOM 1672 CA ASN A 110 12.376 -4.587 -4.710 1.00 0.52 C ATOM 1673 C ASN A 110 11.608 -3.658 -5.650 1.00 0.50 C ATOM 1674 O ASN A 110 12.179 -3.032 -6.522 1.00 0.59 O ATOM 1675 CB ASN A 110 12.360 -6.021 -5.239 1.00 0.59 C ATOM 1676 CG ASN A 110 13.737 -6.658 -5.034 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.549 -6.148 -4.288 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.033 -7.758 -5.670 1.00 1.29 N ATOM 0 H ASN A 110 11.404 -5.586 -3.091 1.00 0.50 H new ATOM 0 HA ASN A 110 13.390 -4.193 -4.636 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.598 -6.603 -4.720 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.099 -6.026 -6.297 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.947 -8.191 -5.541 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.350 -8.185 -6.296 1.00 1.29 H new ATOM 1685 N TRP A 111 10.323 -3.549 -5.472 1.00 0.46 N ATOM 1686 CA TRP A 111 9.529 -2.644 -6.349 1.00 0.51 C ATOM 1687 C TRP A 111 9.557 -1.230 -5.770 1.00 0.55 C ATOM 1688 O TRP A 111 9.399 -0.253 -6.474 1.00 0.66 O ATOM 1689 CB TRP A 111 8.108 -3.208 -6.329 1.00 0.55 C ATOM 1690 CG TRP A 111 7.486 -3.038 -7.679 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.662 -3.878 -8.724 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.598 -1.982 -8.145 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.937 -3.404 -9.804 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.264 -2.239 -9.496 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.053 -0.837 -7.535 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.422 -1.391 -10.216 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.204 0.018 -8.256 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.889 -0.259 -9.594 1.00 1.14 C ATOM 0 H TRP A 111 9.788 -4.045 -4.759 1.00 0.46 H new ATOM 0 HA TRP A 111 9.921 -2.591 -7.365 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.128 -4.263 -6.056 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.512 -2.695 -5.575 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.268 -4.772 -8.717 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.904 -3.860 -10.716 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.289 -0.614 -6.505 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.184 -1.608 -11.247 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.791 0.894 -7.777 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.235 0.402 -10.143 1.00 1.14 H new ATOM 1709 N LEU A 112 9.767 -1.121 -4.486 1.00 0.55 N ATOM 1710 CA LEU A 112 9.816 0.220 -3.846 1.00 0.65 C ATOM 1711 C LEU A 112 11.224 0.813 -3.964 1.00 0.65 C ATOM 1712 O LEU A 112 11.396 2.013 -4.031 1.00 0.75 O ATOM 1713 CB LEU A 112 9.465 -0.039 -2.382 1.00 0.74 C ATOM 1714 CG LEU A 112 8.083 0.541 -2.076 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.097 2.052 -2.317 1.00 1.10 C ATOM 1716 CD2 LEU A 112 7.041 -0.112 -2.986 1.00 1.49 C ATOM 0 H LEU A 112 9.907 -1.908 -3.852 1.00 0.55 H new ATOM 0 HA LEU A 112 9.135 0.931 -4.314 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.474 -1.110 -2.179 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.213 0.415 -1.732 1.00 0.74 H new ATOM 0 HG LEU A 112 7.830 0.343 -1.035 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.112 2.464 -2.099 1.00 1.10 H new ATOM 0 HD12 LEU A 112 8.837 2.517 -1.666 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.352 2.252 -3.358 1.00 1.10 H new ATOM 0 HD21 LEU A 112 6.057 0.302 -2.767 1.00 1.49 H new ATOM 0 HD22 LEU A 112 7.294 0.084 -4.028 1.00 1.49 H new ATOM 0 HD23 LEU A 112 7.029 -1.188 -2.812 1.00 1.49 H new ATOM 1728 N LYS A 113 12.235 -0.018 -3.989 1.00 0.62 N ATOM 1729 CA LYS A 113 13.626 0.510 -4.101 1.00 0.70 C ATOM 1730 C LYS A 113 13.946 0.909 -5.546 1.00 0.75 C ATOM 1731 O LYS A 113 14.976 1.493 -5.820 1.00 1.01 O ATOM 1732 CB LYS A 113 14.522 -0.641 -3.653 1.00 0.79 C ATOM 1733 CG LYS A 113 14.258 -0.934 -2.178 1.00 1.42 C ATOM 1734 CD LYS A 113 14.889 0.163 -1.321 1.00 1.84 C ATOM 1735 CE LYS A 113 16.414 0.066 -1.404 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.917 1.030 -0.387 1.00 2.86 N ATOM 0 H LYS A 113 12.157 -1.034 -3.937 1.00 0.62 H new ATOM 0 HA LYS A 113 13.770 1.405 -3.495 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.323 -1.528 -4.254 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.570 -0.382 -3.803 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.185 -0.984 -1.992 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.673 -1.905 -1.909 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.558 1.143 -1.665 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.564 0.062 -0.286 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.757 -0.947 -1.192 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.772 0.322 -2.401 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.957 1.021 -0.384 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.580 1.986 -0.619 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.566 0.758 0.553 1.00 2.86 H new ATOM 1750 N LYS A 114 13.076 0.610 -6.474 1.00 0.71 N ATOM 1751 CA LYS A 114 13.346 0.989 -7.890 1.00 0.89 C ATOM 1752 C LYS A 114 13.652 2.486 -7.981 1.00 1.07 C ATOM 1753 O LYS A 114 14.286 2.947 -8.910 1.00 1.31 O ATOM 1754 CB LYS A 114 12.059 0.654 -8.644 1.00 0.92 C ATOM 1755 CG LYS A 114 11.995 -0.852 -8.901 1.00 1.45 C ATOM 1756 CD LYS A 114 12.843 -1.197 -10.126 1.00 1.77 C ATOM 1757 CE LYS A 114 13.723 -2.409 -9.814 1.00 2.49 C ATOM 1758 NZ LYS A 114 14.454 -2.689 -11.081 1.00 3.00 N ATOM 0 H LYS A 114 12.195 0.122 -6.313 1.00 0.71 H new ATOM 0 HA LYS A 114 14.205 0.462 -8.305 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.192 0.972 -8.064 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.027 1.196 -9.589 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.358 -1.396 -8.029 1.00 1.45 H new ATOM 0 HG3 LYS A 114 10.962 -1.161 -9.062 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.199 -1.412 -10.978 1.00 1.77 H new ATOM 0 HD3 LYS A 114 13.464 -0.345 -10.403 1.00 1.77 H new ATOM 0 HE2 LYS A 114 14.414 -2.196 -8.998 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.122 -3.265 -9.507 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 15.080 -3.509 -10.947 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.771 -2.895 -11.838 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 15.023 -1.859 -11.344 1.00 3.00 H new ATOM 1772 N ARG A 115 13.207 3.249 -7.018 1.00 1.09 N ATOM 1773 CA ARG A 115 13.474 4.714 -7.043 1.00 1.40 C ATOM 1774 C ARG A 115 14.644 5.057 -6.114 1.00 1.25 C ATOM 1775 O ARG A 115 15.276 6.085 -6.257 1.00 1.55 O ATOM 1776 CB ARG A 115 12.183 5.362 -6.541 1.00 1.86 C ATOM 1777 CG ARG A 115 11.741 6.450 -7.524 1.00 2.43 C ATOM 1778 CD ARG A 115 12.409 7.777 -7.155 1.00 2.92 C ATOM 1779 NE ARG A 115 11.703 8.802 -7.971 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.091 10.048 -7.935 1.00 3.99 C ATOM 1781 NH1 ARG A 115 13.195 10.406 -8.534 1.00 4.52 N ATOM 1782 NH2 ARG A 115 11.377 10.937 -7.300 1.00 4.34 N ATOM 0 H ARG A 115 12.670 2.920 -6.216 1.00 1.09 H new ATOM 0 HA ARG A 115 13.746 5.066 -8.038 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.401 4.609 -6.440 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.341 5.793 -5.552 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.010 6.166 -8.541 1.00 2.43 H new ATOM 0 HG3 ARG A 115 10.657 6.558 -7.499 1.00 2.43 H new ATOM 0 HD2 ARG A 115 12.312 7.985 -6.089 1.00 2.92 H new ATOM 0 HD3 ARG A 115 13.475 7.759 -7.380 1.00 2.92 H new ATOM 0 HE ARG A 115 10.915 8.531 -8.559 1.00 3.45 H new ATOM 0 HH11 ARG A 115 13.754 9.712 -9.030 1.00 4.52 H new ATOM 0 HH12 ARG A 115 13.498 11.380 -8.506 1.00 4.52 H new ATOM 0 HH21 ARG A 115 10.515 10.659 -6.831 1.00 4.34 H new ATOM 0 HH22 ARG A 115 11.681 11.910 -7.272 1.00 4.34 H new ATOM 1796 N THR A 116 14.939 4.212 -5.161 1.00 1.09 N ATOM 1797 CA THR A 116 16.068 4.511 -4.232 1.00 1.33 C ATOM 1798 C THR A 116 17.373 3.911 -4.765 1.00 1.97 C ATOM 1799 O THR A 116 18.404 4.555 -4.772 1.00 2.63 O ATOM 1800 CB THR A 116 15.679 3.858 -2.906 1.00 1.60 C ATOM 1801 OG1 THR A 116 15.615 2.449 -3.076 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.314 4.384 -2.456 1.00 1.81 C ATOM 0 H THR A 116 14.451 3.334 -4.987 1.00 1.09 H new ATOM 0 HA THR A 116 16.235 5.583 -4.124 1.00 1.33 H new ATOM 0 HB THR A 116 16.425 4.099 -2.149 1.00 1.60 H new ATOM 0 HG1 THR A 116 16.520 2.074 -3.046 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.038 3.917 -1.510 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.365 5.465 -2.326 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.565 4.145 -3.211 1.00 1.81 H new ATOM 1810 N GLY A 117 17.339 2.685 -5.208 1.00 2.26 N ATOM 1811 CA GLY A 117 18.580 2.049 -5.735 1.00 3.23 C ATOM 1812 C GLY A 117 18.401 0.527 -5.768 1.00 3.72 C ATOM 1813 O GLY A 117 17.303 0.032 -5.610 1.00 3.64 O ATOM 0 H GLY A 117 16.507 2.096 -5.228 1.00 2.26 H new ATOM 0 HA2 GLY A 117 18.795 2.422 -6.736 1.00 3.23 H new ATOM 0 HA3 GLY A 117 19.431 2.312 -5.107 1.00 3.23 H new ATOM 1817 N PRO A 118 19.492 -0.173 -5.972 1.00 4.60 N ATOM 1818 CA PRO A 118 19.441 -1.655 -6.024 1.00 5.37 C ATOM 1819 C PRO A 118 19.224 -2.232 -4.622 1.00 5.55 C ATOM 1820 O PRO A 118 19.209 -1.516 -3.642 1.00 5.89 O ATOM 1821 CB PRO A 118 20.813 -2.045 -6.566 1.00 6.27 C ATOM 1822 CG PRO A 118 21.710 -0.902 -6.210 1.00 6.17 C ATOM 1823 CD PRO A 118 20.856 0.339 -6.173 1.00 5.22 C ATOM 0 HA PRO A 118 18.624 -2.033 -6.638 1.00 5.37 H new ATOM 0 HB2 PRO A 118 21.164 -2.976 -6.120 1.00 6.27 H new ATOM 0 HB3 PRO A 118 20.782 -2.201 -7.644 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.184 -1.072 -5.243 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.509 -0.797 -6.943 1.00 6.17 H new ATOM 0 HD2 PRO A 118 21.155 1.005 -5.364 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.937 0.907 -7.100 1.00 5.22 H new ATOM 1831 N ALA A 119 19.056 -3.523 -4.521 1.00 5.74 N ATOM 1832 CA ALA A 119 18.840 -4.142 -3.182 1.00 6.37 C ATOM 1833 C ALA A 119 20.144 -4.756 -2.666 1.00 7.12 C ATOM 1834 O ALA A 119 20.389 -4.805 -1.477 1.00 7.52 O ATOM 1835 CB ALA A 119 17.790 -5.230 -3.414 1.00 6.62 C ATOM 0 H ALA A 119 19.059 -4.174 -5.306 1.00 5.74 H new ATOM 0 HA ALA A 119 18.516 -3.414 -2.438 1.00 6.37 H new ATOM 0 HB1 ALA A 119 17.575 -5.735 -2.472 1.00 6.62 H new ATOM 0 HB2 ALA A 119 16.877 -4.778 -3.800 1.00 6.62 H new ATOM 0 HB3 ALA A 119 18.169 -5.954 -4.135 1.00 6.62 H new ATOM 1841 N ALA A 120 20.982 -5.224 -3.550 1.00 7.64 N ATOM 1842 CA ALA A 120 22.270 -5.835 -3.108 1.00 8.64 C ATOM 1843 C ALA A 120 22.010 -6.923 -2.064 1.00 9.09 C ATOM 1844 O ALA A 120 20.960 -7.540 -2.129 1.00 9.37 O ATOM 1845 CB ALA A 120 23.065 -4.682 -2.496 1.00 9.17 C ATOM 1846 OXT ALA A 120 22.866 -7.121 -1.217 1.00 9.38 O ATOM 0 H ALA A 120 20.832 -5.210 -4.559 1.00 7.64 H new ATOM 0 HA ALA A 120 22.806 -6.308 -3.931 1.00 8.64 H new ATOM 0 HB1 ALA A 120 24.029 -5.050 -2.145 1.00 9.17 H new ATOM 0 HB2 ALA A 120 23.224 -3.910 -3.249 1.00 9.17 H new ATOM 0 HB3 ALA A 120 22.510 -4.262 -1.657 1.00 9.17 H new TER 1852 ALA A 120