USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 34 TYR OH : rot -131:sc= 1.13 USER MOD Set 1.2: A 36 SER OG : rot 80:sc= 2.49 USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.693 K(o=1.6,f=-2.6) USER MOD Set 2.2: A 61 THR OG1 : rot -179:sc= 0.9 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.421 USER MOD Set 3.2: A 17 SER OG : rot -90:sc= 0.881 USER MOD Set 3.3: A 18 CYS SG : rot 180:sc= 0.0451 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.318 (180deg=0) USER MOD Single : A 13 MET CE :methyl -169:sc= -0.426 (180deg=-1.1) USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.912 USER MOD Single : A 20 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.0026) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= 0 USER MOD Single : A 27 THR OG1 : rot 85:sc= 0.439 USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= -0.142 (180deg=-1.19) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.459 USER MOD Single : A 41 THR OG1 : rot -28:sc= 0.99 USER MOD Single : A 42 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.825 (180deg=0.781) USER MOD Single : A 45 HIS : no HE2:sc= 0.542 K(o=0.54,f=-5!) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.765 (180deg=0.31) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.42) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= 0.809 (180deg=-3.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.656 6.387 -18.799 1.00 5.91 N ATOM 2 CA MET A 1 8.616 5.318 -18.474 1.00 5.34 C ATOM 3 C MET A 1 8.727 5.308 -16.956 1.00 4.64 C ATOM 4 O MET A 1 8.334 6.309 -16.362 1.00 4.68 O ATOM 5 CB MET A 1 9.988 5.575 -19.113 1.00 6.10 C ATOM 6 CG MET A 1 9.989 5.391 -20.636 1.00 7.14 C ATOM 7 SD MET A 1 11.610 5.652 -21.398 1.00 8.29 S ATOM 8 CE MET A 1 11.213 5.317 -23.127 1.00 8.95 C ATOM 0 H1 MET A 1 6.801 5.970 -19.219 1.00 5.91 H new ATOM 0 H2 MET A 1 7.401 6.900 -17.931 1.00 5.91 H new ATOM 0 H3 MET A 1 8.088 7.047 -19.477 1.00 5.91 H new ATOM 0 HA MET A 1 8.275 4.359 -18.864 1.00 5.34 H new ATOM 0 HB2 MET A 1 10.308 6.590 -18.876 1.00 6.10 H new ATOM 0 HB3 MET A 1 10.720 4.899 -18.671 1.00 6.10 H new ATOM 0 HG2 MET A 1 9.644 4.384 -20.872 1.00 7.14 H new ATOM 0 HG3 MET A 1 9.274 6.085 -21.078 1.00 7.14 H new ATOM 0 HE1 MET A 1 12.110 5.435 -23.736 1.00 8.95 H new ATOM 0 HE2 MET A 1 10.840 4.297 -23.224 1.00 8.95 H new ATOM 0 HE3 MET A 1 10.449 6.016 -23.467 1.00 8.95 H new ATOM 20 N GLY A 2 9.230 4.226 -16.359 1.00 5.02 N ATOM 21 CA GLY A 2 9.242 4.068 -14.914 1.00 5.23 C ATOM 22 C GLY A 2 7.917 3.459 -14.461 1.00 4.17 C ATOM 23 O GLY A 2 6.854 4.046 -14.659 1.00 3.50 O ATOM 0 H GLY A 2 9.638 3.441 -16.866 1.00 5.02 H new ATOM 0 HA2 GLY A 2 10.071 3.427 -14.614 1.00 5.23 H new ATOM 0 HA3 GLY A 2 9.395 5.034 -14.432 1.00 5.23 H new ATOM 27 N ASP A 3 7.975 2.251 -13.901 1.00 4.86 N ATOM 28 CA ASP A 3 6.819 1.501 -13.447 1.00 4.50 C ATOM 29 C ASP A 3 6.144 2.216 -12.284 1.00 2.61 C ATOM 30 O ASP A 3 6.477 1.984 -11.120 1.00 3.39 O ATOM 31 CB ASP A 3 7.258 0.090 -13.036 1.00 6.44 C ATOM 32 CG ASP A 3 8.039 -0.608 -14.141 1.00 7.80 C ATOM 33 OD1 ASP A 3 9.139 -0.093 -14.445 1.00 8.71 O ATOM 34 OD2 ASP A 3 7.513 -1.608 -14.675 1.00 8.32 O ATOM 0 H ASP A 3 8.856 1.759 -13.749 1.00 4.86 H new ATOM 0 HA ASP A 3 6.096 1.426 -14.259 1.00 4.50 H new ATOM 0 HB2 ASP A 3 7.874 0.149 -12.138 1.00 6.44 H new ATOM 0 HB3 ASP A 3 6.380 -0.504 -12.782 1.00 6.44 H new ATOM 39 N GLY A 4 5.160 3.063 -12.584 1.00 1.47 N ATOM 40 CA GLY A 4 4.407 3.759 -11.561 1.00 1.36 C ATOM 41 C GLY A 4 3.388 2.817 -10.915 1.00 1.36 C ATOM 42 O GLY A 4 2.181 3.062 -10.984 1.00 2.05 O ATOM 0 H GLY A 4 4.870 3.280 -13.538 1.00 1.47 H new ATOM 0 HA2 GLY A 4 5.086 4.147 -10.801 1.00 1.36 H new ATOM 0 HA3 GLY A 4 3.894 4.616 -11.998 1.00 1.36 H new ATOM 46 N VAL A 5 3.853 1.710 -10.333 1.00 1.03 N ATOM 47 CA VAL A 5 3.022 0.669 -9.754 1.00 0.99 C ATOM 48 C VAL A 5 3.821 -0.076 -8.690 1.00 0.92 C ATOM 49 O VAL A 5 5.030 -0.254 -8.825 1.00 1.18 O ATOM 50 CB VAL A 5 2.441 -0.251 -10.844 1.00 1.17 C ATOM 51 CG1 VAL A 5 3.517 -0.892 -11.723 1.00 1.64 C ATOM 52 CG2 VAL A 5 1.566 -1.350 -10.235 1.00 2.07 C ATOM 0 H VAL A 5 4.851 1.513 -10.252 1.00 1.03 H new ATOM 0 HA VAL A 5 2.157 1.113 -9.262 1.00 0.99 H new ATOM 0 HB VAL A 5 1.833 0.394 -11.479 1.00 1.17 H new ATOM 0 HG11 VAL A 5 3.044 -1.528 -12.471 1.00 1.64 H new ATOM 0 HG12 VAL A 5 4.092 -0.112 -12.221 1.00 1.64 H new ATOM 0 HG13 VAL A 5 4.182 -1.493 -11.103 1.00 1.64 H new ATOM 0 HG21 VAL A 5 1.171 -1.983 -11.030 1.00 2.07 H new ATOM 0 HG22 VAL A 5 2.164 -1.955 -9.553 1.00 2.07 H new ATOM 0 HG23 VAL A 5 0.740 -0.896 -9.688 1.00 2.07 H new ATOM 62 N LEU A 6 3.142 -0.470 -7.615 1.00 0.83 N ATOM 63 CA LEU A 6 3.709 -1.108 -6.448 1.00 0.84 C ATOM 64 C LEU A 6 2.657 -2.060 -5.900 1.00 0.76 C ATOM 65 O LEU A 6 1.600 -1.602 -5.474 1.00 0.94 O ATOM 66 CB LEU A 6 4.115 -0.014 -5.449 1.00 0.98 C ATOM 67 CG LEU A 6 4.556 -0.491 -4.052 1.00 1.43 C ATOM 68 CD1 LEU A 6 5.802 0.287 -3.616 1.00 2.33 C ATOM 69 CD2 LEU A 6 3.459 -0.246 -3.011 1.00 3.05 C ATOM 0 H LEU A 6 2.133 -0.343 -7.539 1.00 0.83 H new ATOM 0 HA LEU A 6 4.606 -1.686 -6.671 1.00 0.84 H new ATOM 0 HB2 LEU A 6 4.930 0.562 -5.886 1.00 0.98 H new ATOM 0 HB3 LEU A 6 3.273 0.667 -5.327 1.00 0.98 H new ATOM 0 HG LEU A 6 4.763 -1.559 -4.115 1.00 1.43 H new ATOM 0 HD11 LEU A 6 6.114 -0.050 -2.628 1.00 2.33 H new ATOM 0 HD12 LEU A 6 6.607 0.114 -4.330 1.00 2.33 H new ATOM 0 HD13 LEU A 6 5.572 1.352 -3.580 1.00 2.33 H new ATOM 0 HD21 LEU A 6 3.799 -0.593 -2.035 1.00 3.05 H new ATOM 0 HD22 LEU A 6 3.237 0.820 -2.960 1.00 3.05 H new ATOM 0 HD23 LEU A 6 2.559 -0.791 -3.296 1.00 3.05 H new ATOM 81 N GLU A 7 2.935 -3.368 -5.921 1.00 0.70 N ATOM 82 CA GLU A 7 2.154 -4.322 -5.155 1.00 0.72 C ATOM 83 C GLU A 7 2.955 -4.771 -3.962 1.00 0.66 C ATOM 84 O GLU A 7 4.049 -5.308 -4.120 1.00 0.77 O ATOM 85 CB GLU A 7 1.714 -5.547 -5.944 1.00 1.01 C ATOM 86 CG GLU A 7 0.967 -5.093 -7.188 1.00 1.02 C ATOM 87 CD GLU A 7 -0.079 -6.104 -7.632 1.00 1.04 C ATOM 88 OE1 GLU A 7 0.049 -7.298 -7.283 1.00 2.26 O ATOM 89 OE2 GLU A 7 -1.115 -5.685 -8.201 1.00 2.13 O ATOM 0 H GLU A 7 3.695 -3.781 -6.461 1.00 0.70 H new ATOM 0 HA GLU A 7 1.243 -3.802 -4.859 1.00 0.72 H new ATOM 0 HB2 GLU A 7 2.581 -6.146 -6.223 1.00 1.01 H new ATOM 0 HB3 GLU A 7 1.073 -6.180 -5.330 1.00 1.01 H new ATOM 0 HG2 GLU A 7 0.484 -4.136 -6.990 1.00 1.02 H new ATOM 0 HG3 GLU A 7 1.678 -4.930 -7.997 1.00 1.02 H new ATOM 96 N LEU A 8 2.367 -4.602 -2.784 1.00 0.62 N ATOM 97 CA LEU A 8 2.788 -5.332 -1.612 1.00 0.66 C ATOM 98 C LEU A 8 1.761 -6.434 -1.402 1.00 0.63 C ATOM 99 O LEU A 8 0.571 -6.160 -1.552 1.00 0.66 O ATOM 100 CB LEU A 8 2.830 -4.407 -0.390 1.00 1.12 C ATOM 101 CG LEU A 8 3.524 -3.064 -0.654 1.00 0.84 C ATOM 102 CD1 LEU A 8 3.493 -2.223 0.619 1.00 2.05 C ATOM 103 CD2 LEU A 8 4.974 -3.222 -1.119 1.00 2.42 C ATOM 0 H LEU A 8 1.592 -3.959 -2.623 1.00 0.62 H new ATOM 0 HA LEU A 8 3.789 -5.742 -1.743 1.00 0.66 H new ATOM 0 HB2 LEU A 8 1.811 -4.219 -0.053 1.00 1.12 H new ATOM 0 HB3 LEU A 8 3.345 -4.918 0.423 1.00 1.12 H new ATOM 0 HG LEU A 8 2.979 -2.573 -1.461 1.00 0.84 H new ATOM 0 HD11 LEU A 8 3.985 -1.268 0.436 1.00 2.05 H new ATOM 0 HD12 LEU A 8 2.458 -2.048 0.914 1.00 2.05 H new ATOM 0 HD13 LEU A 8 4.013 -2.752 1.417 1.00 2.05 H new ATOM 0 HD21 LEU A 8 5.411 -2.238 -1.289 1.00 2.42 H new ATOM 0 HD22 LEU A 8 5.547 -3.746 -0.353 1.00 2.42 H new ATOM 0 HD23 LEU A 8 4.998 -3.795 -2.046 1.00 2.42 H new ATOM 115 N VAL A 9 2.187 -7.627 -0.977 1.00 0.72 N ATOM 116 CA VAL A 9 1.313 -8.440 -0.147 1.00 0.72 C ATOM 117 C VAL A 9 1.357 -7.798 1.238 1.00 0.65 C ATOM 118 O VAL A 9 2.413 -7.336 1.671 1.00 0.73 O ATOM 119 CB VAL A 9 1.758 -9.913 -0.128 1.00 0.84 C ATOM 120 CG1 VAL A 9 1.166 -10.707 1.046 1.00 2.14 C ATOM 121 CG2 VAL A 9 1.306 -10.583 -1.429 1.00 1.93 C ATOM 0 H VAL A 9 3.098 -8.035 -1.187 1.00 0.72 H new ATOM 0 HA VAL A 9 0.294 -8.465 -0.533 1.00 0.72 H new ATOM 0 HB VAL A 9 2.843 -9.916 -0.019 1.00 0.84 H new ATOM 0 HG11 VAL A 9 1.518 -11.738 1.002 1.00 2.14 H new ATOM 0 HG12 VAL A 9 1.481 -10.255 1.987 1.00 2.14 H new ATOM 0 HG13 VAL A 9 0.078 -10.692 0.983 1.00 2.14 H new ATOM 0 HG21 VAL A 9 1.616 -11.628 -1.427 1.00 1.93 H new ATOM 0 HG22 VAL A 9 0.220 -10.527 -1.509 1.00 1.93 H new ATOM 0 HG23 VAL A 9 1.759 -10.072 -2.278 1.00 1.93 H new ATOM 131 N VAL A 10 0.200 -7.718 1.894 1.00 0.62 N ATOM 132 CA VAL A 10 0.001 -7.077 3.182 1.00 0.57 C ATOM 133 C VAL A 10 -0.674 -8.079 4.107 1.00 0.66 C ATOM 134 O VAL A 10 -1.658 -8.713 3.721 1.00 1.04 O ATOM 135 CB VAL A 10 -0.829 -5.786 3.049 1.00 0.58 C ATOM 136 CG1 VAL A 10 0.086 -4.565 3.145 1.00 1.94 C ATOM 137 CG2 VAL A 10 -1.644 -5.704 1.751 1.00 1.97 C ATOM 0 H VAL A 10 -0.660 -8.118 1.520 1.00 0.62 H new ATOM 0 HA VAL A 10 0.963 -6.779 3.598 1.00 0.57 H new ATOM 0 HB VAL A 10 -1.545 -5.803 3.871 1.00 0.58 H new ATOM 0 HG11 VAL A 10 -0.509 -3.656 3.050 1.00 1.94 H new ATOM 0 HG12 VAL A 10 0.595 -4.567 4.109 1.00 1.94 H new ATOM 0 HG13 VAL A 10 0.825 -4.600 2.345 1.00 1.94 H new ATOM 0 HG21 VAL A 10 -2.201 -4.768 1.730 1.00 1.97 H new ATOM 0 HG22 VAL A 10 -0.970 -5.745 0.895 1.00 1.97 H new ATOM 0 HG23 VAL A 10 -2.340 -6.542 1.705 1.00 1.97 H new ATOM 147 N ARG A 11 -0.134 -8.226 5.317 1.00 0.59 N ATOM 148 CA ARG A 11 -0.599 -9.164 6.323 1.00 0.66 C ATOM 149 C ARG A 11 -0.864 -8.389 7.615 1.00 0.51 C ATOM 150 O ARG A 11 -0.190 -7.400 7.897 1.00 0.72 O ATOM 151 CB ARG A 11 0.415 -10.310 6.484 1.00 0.93 C ATOM 152 CG ARG A 11 1.805 -9.828 6.919 1.00 1.28 C ATOM 153 CD ARG A 11 2.864 -10.935 6.831 1.00 1.39 C ATOM 154 NE ARG A 11 4.186 -10.461 7.278 1.00 2.70 N ATOM 155 CZ ARG A 11 5.098 -9.789 6.556 1.00 3.70 C ATOM 156 NH1 ARG A 11 4.888 -9.510 5.269 1.00 4.42 N ATOM 157 NH2 ARG A 11 6.206 -9.358 7.159 1.00 5.00 N ATOM 0 H ARG A 11 0.665 -7.674 5.628 1.00 0.59 H new ATOM 0 HA ARG A 11 -1.535 -9.637 6.025 1.00 0.66 H new ATOM 0 HB2 ARG A 11 0.037 -11.021 7.219 1.00 0.93 H new ATOM 0 HB3 ARG A 11 0.502 -10.845 5.539 1.00 0.93 H new ATOM 0 HG2 ARG A 11 2.108 -8.989 6.292 1.00 1.28 H new ATOM 0 HG3 ARG A 11 1.754 -9.459 7.943 1.00 1.28 H new ATOM 0 HD2 ARG A 11 2.556 -11.783 7.442 1.00 1.39 H new ATOM 0 HD3 ARG A 11 2.933 -11.291 5.803 1.00 1.39 H new ATOM 0 HE ARG A 11 4.437 -10.666 8.245 1.00 2.70 H new ATOM 0 HH11 ARG A 11 4.023 -9.808 4.817 1.00 4.42 H new ATOM 0 HH12 ARG A 11 5.592 -8.999 4.737 1.00 4.42 H new ATOM 0 HH21 ARG A 11 6.350 -9.540 8.152 1.00 5.00 H new ATOM 0 HH22 ARG A 11 6.910 -8.846 6.627 1.00 5.00 H new ATOM 171 N GLY A 12 -1.896 -8.810 8.350 1.00 0.72 N ATOM 172 CA GLY A 12 -2.413 -8.126 9.529 1.00 0.86 C ATOM 173 C GLY A 12 -3.828 -7.608 9.261 1.00 0.98 C ATOM 174 O GLY A 12 -4.656 -7.554 10.167 1.00 1.67 O ATOM 0 H GLY A 12 -2.409 -9.664 8.131 1.00 0.72 H new ATOM 0 HA2 GLY A 12 -2.422 -8.808 10.379 1.00 0.86 H new ATOM 0 HA3 GLY A 12 -1.758 -7.296 9.793 1.00 0.86 H new ATOM 178 N MET A 13 -4.115 -7.241 8.007 1.00 0.69 N ATOM 179 CA MET A 13 -5.463 -6.883 7.592 1.00 0.79 C ATOM 180 C MET A 13 -6.405 -8.059 7.847 1.00 0.94 C ATOM 181 O MET A 13 -6.025 -9.206 7.617 1.00 1.46 O ATOM 182 CB MET A 13 -5.497 -6.560 6.097 1.00 1.07 C ATOM 183 CG MET A 13 -4.532 -5.460 5.653 1.00 0.99 C ATOM 184 SD MET A 13 -4.771 -4.941 3.937 1.00 1.42 S ATOM 185 CE MET A 13 -4.695 -6.531 3.088 1.00 1.27 C ATOM 0 H MET A 13 -3.421 -7.186 7.262 1.00 0.69 H new ATOM 0 HA MET A 13 -5.776 -6.009 8.163 1.00 0.79 H new ATOM 0 HB2 MET A 13 -5.271 -7.468 5.539 1.00 1.07 H new ATOM 0 HB3 MET A 13 -6.511 -6.264 5.827 1.00 1.07 H new ATOM 0 HG2 MET A 13 -4.653 -4.596 6.306 1.00 0.99 H new ATOM 0 HG3 MET A 13 -3.508 -5.813 5.778 1.00 0.99 H new ATOM 0 HE1 MET A 13 -4.630 -6.366 2.012 1.00 1.27 H new ATOM 0 HE2 MET A 13 -3.817 -7.082 3.425 1.00 1.27 H new ATOM 0 HE3 MET A 13 -5.593 -7.107 3.313 1.00 1.27 H new ATOM 195 N THR A 14 -7.636 -7.778 8.282 1.00 0.80 N ATOM 196 CA THR A 14 -8.612 -8.824 8.561 1.00 1.07 C ATOM 197 C THR A 14 -10.061 -8.346 8.392 1.00 1.22 C ATOM 198 O THR A 14 -10.976 -9.057 8.805 1.00 2.36 O ATOM 199 CB THR A 14 -8.335 -9.400 9.965 1.00 1.35 C ATOM 200 OG1 THR A 14 -9.200 -10.480 10.253 1.00 2.24 O ATOM 201 CG2 THR A 14 -8.466 -8.340 11.066 1.00 1.12 C ATOM 0 H THR A 14 -7.977 -6.831 8.448 1.00 0.80 H new ATOM 0 HA THR A 14 -8.497 -9.618 7.824 1.00 1.07 H new ATOM 0 HB THR A 14 -7.304 -9.753 9.952 1.00 1.35 H new ATOM 0 HG1 THR A 14 -10.093 -10.288 9.897 1.00 2.24 H new ATOM 0 HG21 THR A 14 -8.262 -8.795 12.035 1.00 1.12 H new ATOM 0 HG22 THR A 14 -7.752 -7.537 10.884 1.00 1.12 H new ATOM 0 HG23 THR A 14 -9.478 -7.934 11.062 1.00 1.12 H new ATOM 209 N CYS A 15 -10.298 -7.161 7.815 1.00 0.83 N ATOM 210 CA CYS A 15 -11.635 -6.579 7.723 1.00 0.91 C ATOM 211 C CYS A 15 -11.584 -5.341 6.821 1.00 0.75 C ATOM 212 O CYS A 15 -10.537 -4.698 6.725 1.00 1.04 O ATOM 213 CB CYS A 15 -12.135 -6.239 9.139 1.00 1.29 C ATOM 214 SG CYS A 15 -13.719 -5.367 9.087 1.00 2.29 S ATOM 0 H CYS A 15 -9.567 -6.583 7.401 1.00 0.83 H new ATOM 0 HA CYS A 15 -12.336 -7.287 7.280 1.00 0.91 H new ATOM 0 HB2 CYS A 15 -12.241 -7.156 9.719 1.00 1.29 H new ATOM 0 HB3 CYS A 15 -11.395 -5.623 9.650 1.00 1.29 H new ATOM 0 HG CYS A 15 -14.107 -5.100 10.299 1.00 2.29 H new ATOM 220 N ALA A 16 -12.707 -5.019 6.162 1.00 0.66 N ATOM 221 CA ALA A 16 -12.918 -3.828 5.344 1.00 0.58 C ATOM 222 C ALA A 16 -12.276 -2.581 5.958 1.00 0.63 C ATOM 223 O ALA A 16 -11.651 -1.792 5.260 1.00 1.15 O ATOM 224 CB ALA A 16 -14.422 -3.604 5.165 1.00 0.65 C ATOM 0 H ALA A 16 -13.532 -5.618 6.191 1.00 0.66 H new ATOM 0 HA ALA A 16 -12.440 -3.994 4.379 1.00 0.58 H new ATOM 0 HB1 ALA A 16 -14.588 -2.716 4.555 1.00 0.65 H new ATOM 0 HB2 ALA A 16 -14.863 -4.470 4.672 1.00 0.65 H new ATOM 0 HB3 ALA A 16 -14.888 -3.466 6.141 1.00 0.65 H new ATOM 230 N SER A 17 -12.434 -2.422 7.273 1.00 0.50 N ATOM 231 CA SER A 17 -11.794 -1.393 8.084 1.00 0.50 C ATOM 232 C SER A 17 -10.301 -1.211 7.760 1.00 0.47 C ATOM 233 O SER A 17 -9.886 -0.169 7.265 1.00 0.66 O ATOM 234 CB SER A 17 -11.981 -1.779 9.543 1.00 0.68 C ATOM 235 OG SER A 17 -11.464 -3.082 9.747 1.00 0.79 O ATOM 0 H SER A 17 -13.037 -3.034 7.822 1.00 0.50 H new ATOM 0 HA SER A 17 -12.260 -0.433 7.864 1.00 0.50 H new ATOM 0 HB2 SER A 17 -11.469 -1.066 10.189 1.00 0.68 H new ATOM 0 HB3 SER A 17 -13.038 -1.748 9.808 1.00 0.68 H new ATOM 0 HG SER A 17 -12.171 -3.743 9.591 1.00 0.79 H new ATOM 241 N CYS A 18 -9.481 -2.221 8.058 1.00 0.48 N ATOM 242 CA CYS A 18 -8.064 -2.258 7.734 1.00 0.46 C ATOM 243 C CYS A 18 -7.865 -1.853 6.283 1.00 0.48 C ATOM 244 O CYS A 18 -7.028 -1.007 5.975 1.00 0.58 O ATOM 245 CB CYS A 18 -7.506 -3.676 7.932 1.00 0.64 C ATOM 246 SG CYS A 18 -7.680 -4.255 9.636 1.00 1.07 S ATOM 0 H CYS A 18 -9.800 -3.058 8.546 1.00 0.48 H new ATOM 0 HA CYS A 18 -7.538 -1.568 8.394 1.00 0.46 H new ATOM 0 HB2 CYS A 18 -8.024 -4.364 7.263 1.00 0.64 H new ATOM 0 HB3 CYS A 18 -6.453 -3.691 7.652 1.00 0.64 H new ATOM 0 HG CYS A 18 -7.193 -5.456 9.738 1.00 1.07 H new ATOM 252 N VAL A 19 -8.662 -2.467 5.409 1.00 0.49 N ATOM 253 CA VAL A 19 -8.590 -2.231 3.984 1.00 0.55 C ATOM 254 C VAL A 19 -8.694 -0.728 3.665 1.00 0.55 C ATOM 255 O VAL A 19 -7.717 -0.118 3.228 1.00 0.65 O ATOM 256 CB VAL A 19 -9.599 -3.150 3.264 1.00 0.57 C ATOM 257 CG1 VAL A 19 -10.174 -2.578 1.967 1.00 0.66 C ATOM 258 CG2 VAL A 19 -8.993 -4.539 3.034 1.00 0.81 C ATOM 0 H VAL A 19 -9.376 -3.143 5.680 1.00 0.49 H new ATOM 0 HA VAL A 19 -7.612 -2.506 3.589 1.00 0.55 H new ATOM 0 HB VAL A 19 -10.452 -3.230 3.937 1.00 0.57 H new ATOM 0 HG11 VAL A 19 -10.873 -3.293 1.532 1.00 0.66 H new ATOM 0 HG12 VAL A 19 -10.696 -1.645 2.181 1.00 0.66 H new ATOM 0 HG13 VAL A 19 -9.364 -2.388 1.263 1.00 0.66 H new ATOM 0 HG21 VAL A 19 -9.719 -5.173 2.525 1.00 0.81 H new ATOM 0 HG22 VAL A 19 -8.097 -4.448 2.420 1.00 0.81 H new ATOM 0 HG23 VAL A 19 -8.731 -4.985 3.993 1.00 0.81 H new ATOM 268 N HIS A 20 -9.849 -0.102 3.910 1.00 0.50 N ATOM 269 CA HIS A 20 -10.038 1.290 3.511 1.00 0.58 C ATOM 270 C HIS A 20 -9.194 2.240 4.362 1.00 0.56 C ATOM 271 O HIS A 20 -8.816 3.311 3.895 1.00 0.57 O ATOM 272 CB HIS A 20 -11.521 1.683 3.441 1.00 0.65 C ATOM 273 CG HIS A 20 -12.145 2.145 4.732 1.00 0.66 C ATOM 274 ND1 HIS A 20 -12.866 3.301 4.940 1.00 1.20 N ATOM 275 CD2 HIS A 20 -12.184 1.433 5.891 1.00 0.71 C ATOM 276 CE1 HIS A 20 -13.312 3.270 6.210 1.00 1.02 C ATOM 277 NE2 HIS A 20 -12.919 2.149 6.833 1.00 0.77 N ATOM 0 H HIS A 20 -10.651 -0.529 4.374 1.00 0.50 H new ATOM 0 HA HIS A 20 -9.668 1.389 2.491 1.00 0.58 H new ATOM 0 HB2 HIS A 20 -11.631 2.478 2.703 1.00 0.65 H new ATOM 0 HB3 HIS A 20 -12.086 0.826 3.074 1.00 0.65 H new ATOM 0 HD2 HIS A 20 -11.721 0.471 6.054 1.00 0.71 H new ATOM 0 HE1 HIS A 20 -13.908 4.046 6.667 1.00 1.02 H new ATOM 0 HE2 HIS A 20 -13.117 1.877 7.796 1.00 0.77 H new ATOM 285 N LYS A 21 -8.878 1.854 5.604 1.00 0.57 N ATOM 286 CA LYS A 21 -7.954 2.588 6.457 1.00 0.52 C ATOM 287 C LYS A 21 -6.630 2.807 5.721 1.00 0.48 C ATOM 288 O LYS A 21 -6.144 3.939 5.693 1.00 0.50 O ATOM 289 CB LYS A 21 -7.787 1.851 7.796 1.00 0.57 C ATOM 290 CG LYS A 21 -6.695 2.414 8.715 1.00 0.45 C ATOM 291 CD LYS A 21 -6.724 1.641 10.046 1.00 1.83 C ATOM 292 CE LYS A 21 -5.459 1.815 10.903 1.00 2.51 C ATOM 293 NZ LYS A 21 -5.242 3.207 11.345 1.00 3.24 N ATOM 0 H LYS A 21 -9.262 1.017 6.042 1.00 0.57 H new ATOM 0 HA LYS A 21 -8.353 3.576 6.687 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -8.738 1.877 8.329 1.00 0.57 H new ATOM 0 HB3 LYS A 21 -7.564 0.804 7.592 1.00 0.57 H new ATOM 0 HG2 LYS A 21 -5.717 2.318 8.243 1.00 0.45 H new ATOM 0 HG3 LYS A 21 -6.860 3.477 8.891 1.00 0.45 H new ATOM 0 HD2 LYS A 21 -7.589 1.967 10.624 1.00 1.83 H new ATOM 0 HD3 LYS A 21 -6.863 0.581 9.835 1.00 1.83 H new ATOM 0 HE2 LYS A 21 -5.530 1.170 11.779 1.00 2.51 H new ATOM 0 HE3 LYS A 21 -4.592 1.483 10.331 1.00 2.51 H new ATOM 0 HZ1 LYS A 21 -4.375 3.258 11.917 1.00 3.24 H new ATOM 0 HZ2 LYS A 21 -5.145 3.824 10.514 1.00 3.24 H new ATOM 0 HZ3 LYS A 21 -6.053 3.520 11.916 1.00 3.24 H new ATOM 307 N ILE A 22 -6.048 1.755 5.126 1.00 0.46 N ATOM 308 CA ILE A 22 -4.839 1.919 4.321 1.00 0.48 C ATOM 309 C ILE A 22 -5.094 2.976 3.245 1.00 0.56 C ATOM 310 O ILE A 22 -4.466 4.034 3.271 1.00 0.64 O ATOM 311 CB ILE A 22 -4.361 0.587 3.706 1.00 0.48 C ATOM 312 CG1 ILE A 22 -3.886 -0.378 4.804 1.00 0.42 C ATOM 313 CG2 ILE A 22 -3.219 0.834 2.707 1.00 0.62 C ATOM 314 CD1 ILE A 22 -3.598 -1.786 4.283 1.00 0.59 C ATOM 0 H ILE A 22 -6.392 0.797 5.188 1.00 0.46 H new ATOM 0 HA ILE A 22 -4.032 2.255 4.972 1.00 0.48 H new ATOM 0 HB ILE A 22 -5.203 0.137 3.180 1.00 0.48 H new ATOM 0 HG12 ILE A 22 -2.984 0.023 5.266 1.00 0.42 H new ATOM 0 HG13 ILE A 22 -4.646 -0.434 5.583 1.00 0.42 H new ATOM 0 HG21 ILE A 22 -2.894 -0.116 2.283 1.00 0.62 H new ATOM 0 HG22 ILE A 22 -3.570 1.487 1.908 1.00 0.62 H new ATOM 0 HG23 ILE A 22 -2.382 1.307 3.221 1.00 0.62 H new ATOM 0 HD11 ILE A 22 -3.267 -2.418 5.107 1.00 0.59 H new ATOM 0 HD12 ILE A 22 -4.505 -2.205 3.846 1.00 0.59 H new ATOM 0 HD13 ILE A 22 -2.817 -1.740 3.524 1.00 0.59 H new ATOM 326 N GLU A 23 -6.006 2.686 2.312 1.00 0.56 N ATOM 327 CA GLU A 23 -6.295 3.524 1.153 1.00 0.62 C ATOM 328 C GLU A 23 -6.458 4.989 1.565 1.00 0.60 C ATOM 329 O GLU A 23 -5.674 5.853 1.168 1.00 0.64 O ATOM 330 CB GLU A 23 -7.556 2.983 0.461 1.00 0.82 C ATOM 331 CG GLU A 23 -7.294 1.605 -0.166 1.00 1.02 C ATOM 332 CD GLU A 23 -8.561 0.849 -0.555 1.00 1.68 C ATOM 333 OE1 GLU A 23 -9.656 1.321 -0.183 1.00 2.36 O ATOM 334 OE2 GLU A 23 -8.396 -0.207 -1.207 1.00 2.76 O ATOM 0 H GLU A 23 -6.576 1.841 2.346 1.00 0.56 H new ATOM 0 HA GLU A 23 -5.461 3.489 0.452 1.00 0.62 H new ATOM 0 HB2 GLU A 23 -8.368 2.909 1.184 1.00 0.82 H new ATOM 0 HB3 GLU A 23 -7.879 3.682 -0.311 1.00 0.82 H new ATOM 0 HG2 GLU A 23 -6.673 1.733 -1.053 1.00 1.02 H new ATOM 0 HG3 GLU A 23 -6.724 0.999 0.538 1.00 1.02 H new ATOM 341 N SER A 24 -7.461 5.234 2.412 1.00 0.60 N ATOM 342 CA SER A 24 -7.784 6.536 2.968 1.00 0.65 C ATOM 343 C SER A 24 -6.531 7.205 3.532 1.00 0.64 C ATOM 344 O SER A 24 -6.289 8.384 3.274 1.00 0.79 O ATOM 345 CB SER A 24 -8.866 6.366 4.044 1.00 0.68 C ATOM 346 OG SER A 24 -9.299 7.619 4.538 1.00 1.06 O ATOM 0 H SER A 24 -8.089 4.499 2.737 1.00 0.60 H new ATOM 0 HA SER A 24 -8.170 7.187 2.183 1.00 0.65 H new ATOM 0 HB2 SER A 24 -9.715 5.824 3.627 1.00 0.68 H new ATOM 0 HB3 SER A 24 -8.475 5.764 4.864 1.00 0.68 H new ATOM 0 HG SER A 24 -9.989 7.481 5.220 1.00 1.06 H new ATOM 352 N SER A 25 -5.725 6.458 4.296 1.00 0.51 N ATOM 353 CA SER A 25 -4.500 7.001 4.841 1.00 0.49 C ATOM 354 C SER A 25 -3.544 7.409 3.720 1.00 0.51 C ATOM 355 O SER A 25 -3.254 8.595 3.592 1.00 0.72 O ATOM 356 CB SER A 25 -3.858 6.032 5.839 1.00 0.49 C ATOM 357 OG SER A 25 -2.831 6.695 6.551 1.00 0.89 O ATOM 0 H SER A 25 -5.907 5.485 4.543 1.00 0.51 H new ATOM 0 HA SER A 25 -4.741 7.905 5.400 1.00 0.49 H new ATOM 0 HB2 SER A 25 -4.611 5.656 6.532 1.00 0.49 H new ATOM 0 HB3 SER A 25 -3.451 5.169 5.313 1.00 0.49 H new ATOM 0 HG SER A 25 -3.166 6.968 7.430 1.00 0.89 H new ATOM 363 N LEU A 26 -3.023 6.469 2.924 1.00 0.49 N ATOM 364 CA LEU A 26 -1.856 6.782 2.099 1.00 0.66 C ATOM 365 C LEU A 26 -2.150 7.897 1.102 1.00 0.73 C ATOM 366 O LEU A 26 -1.283 8.724 0.827 1.00 0.81 O ATOM 367 CB LEU A 26 -1.259 5.594 1.338 1.00 0.76 C ATOM 368 CG LEU A 26 -1.341 4.235 2.028 1.00 0.64 C ATOM 369 CD1 LEU A 26 -0.772 3.188 1.076 1.00 1.55 C ATOM 370 CD2 LEU A 26 -0.596 4.219 3.362 1.00 1.78 C ATOM 0 H LEU A 26 -3.377 5.517 2.835 1.00 0.49 H new ATOM 0 HA LEU A 26 -1.111 7.102 2.827 1.00 0.66 H new ATOM 0 HB2 LEU A 26 -1.762 5.518 0.374 1.00 0.76 H new ATOM 0 HB3 LEU A 26 -0.210 5.811 1.134 1.00 0.76 H new ATOM 0 HG LEU A 26 -2.383 4.015 2.260 1.00 0.64 H new ATOM 0 HD11 LEU A 26 -0.819 2.205 1.546 1.00 1.55 H new ATOM 0 HD12 LEU A 26 -1.355 3.178 0.155 1.00 1.55 H new ATOM 0 HD13 LEU A 26 0.265 3.431 0.846 1.00 1.55 H new ATOM 0 HD21 LEU A 26 -0.683 3.232 3.815 1.00 1.78 H new ATOM 0 HD22 LEU A 26 0.456 4.450 3.194 1.00 1.78 H new ATOM 0 HD23 LEU A 26 -1.029 4.964 4.030 1.00 1.78 H new ATOM 382 N THR A 27 -3.372 7.955 0.570 1.00 0.75 N ATOM 383 CA THR A 27 -3.771 9.043 -0.308 1.00 0.93 C ATOM 384 C THR A 27 -3.373 10.422 0.258 1.00 1.12 C ATOM 385 O THR A 27 -3.014 11.310 -0.514 1.00 1.77 O ATOM 386 CB THR A 27 -5.268 8.897 -0.600 1.00 1.09 C ATOM 387 OG1 THR A 27 -5.482 7.649 -1.227 1.00 1.31 O ATOM 388 CG2 THR A 27 -5.808 9.997 -1.518 1.00 2.08 C ATOM 0 H THR A 27 -4.099 7.259 0.735 1.00 0.75 H new ATOM 0 HA THR A 27 -3.232 8.982 -1.254 1.00 0.93 H new ATOM 0 HB THR A 27 -5.795 8.975 0.351 1.00 1.09 H new ATOM 0 HG1 THR A 27 -5.580 6.953 -0.545 1.00 1.31 H new ATOM 0 HG21 THR A 27 -6.873 9.839 -1.688 1.00 2.08 H new ATOM 0 HG22 THR A 27 -5.655 10.969 -1.050 1.00 2.08 H new ATOM 0 HG23 THR A 27 -5.280 9.967 -2.471 1.00 2.08 H new ATOM 396 N LYS A 28 -3.345 10.595 1.590 1.00 1.01 N ATOM 397 CA LYS A 28 -2.896 11.828 2.234 1.00 1.08 C ATOM 398 C LYS A 28 -1.535 12.319 1.725 1.00 1.00 C ATOM 399 O LYS A 28 -1.302 13.529 1.685 1.00 1.13 O ATOM 400 CB LYS A 28 -2.885 11.682 3.767 1.00 1.17 C ATOM 401 CG LYS A 28 -1.634 10.965 4.311 1.00 2.70 C ATOM 402 CD LYS A 28 -1.779 10.424 5.743 1.00 3.81 C ATOM 403 CE LYS A 28 -2.015 11.501 6.812 1.00 3.99 C ATOM 404 NZ LYS A 28 -3.416 11.971 6.849 1.00 4.19 N ATOM 0 H LYS A 28 -3.637 9.874 2.250 1.00 1.01 H new ATOM 0 HA LYS A 28 -3.622 12.593 1.958 1.00 1.08 H new ATOM 0 HB2 LYS A 28 -2.951 12.672 4.218 1.00 1.17 H new ATOM 0 HB3 LYS A 28 -3.773 11.131 4.077 1.00 1.17 H new ATOM 0 HG2 LYS A 28 -1.388 10.136 3.647 1.00 2.70 H new ATOM 0 HG3 LYS A 28 -0.793 11.657 4.282 1.00 2.70 H new ATOM 0 HD2 LYS A 28 -2.609 9.718 5.768 1.00 3.81 H new ATOM 0 HD3 LYS A 28 -0.878 9.867 6.000 1.00 3.81 H new ATOM 0 HE2 LYS A 28 -1.744 11.102 7.790 1.00 3.99 H new ATOM 0 HE3 LYS A 28 -1.357 12.348 6.620 1.00 3.99 H new ATOM 0 HZ1 LYS A 28 -3.695 12.153 7.834 1.00 4.19 H new ATOM 0 HZ2 LYS A 28 -3.503 12.848 6.297 1.00 4.19 H new ATOM 0 HZ3 LYS A 28 -4.037 11.243 6.442 1.00 4.19 H new ATOM 418 N HIS A 29 -0.624 11.400 1.376 1.00 0.86 N ATOM 419 CA HIS A 29 0.686 11.759 0.848 1.00 0.85 C ATOM 420 C HIS A 29 0.536 12.546 -0.459 1.00 1.04 C ATOM 421 O HIS A 29 1.269 13.507 -0.680 1.00 2.54 O ATOM 422 CB HIS A 29 1.533 10.511 0.566 1.00 0.71 C ATOM 423 CG HIS A 29 2.014 9.709 1.758 1.00 0.81 C ATOM 424 ND1 HIS A 29 3.225 9.885 2.395 1.00 1.35 N ATOM 425 CD2 HIS A 29 1.559 8.469 2.131 1.00 1.00 C ATOM 426 CE1 HIS A 29 3.462 8.784 3.132 1.00 1.47 C ATOM 427 NE2 HIS A 29 2.472 7.893 3.010 1.00 1.27 N ATOM 0 H HIS A 29 -0.779 10.395 1.454 1.00 0.86 H new ATOM 0 HA HIS A 29 1.183 12.370 1.602 1.00 0.85 H new ATOM 0 HB2 HIS A 29 0.951 9.847 -0.074 1.00 0.71 H new ATOM 0 HB3 HIS A 29 2.407 10.820 -0.007 1.00 0.71 H new ATOM 0 HD1 HIS A 29 3.831 10.702 2.321 1.00 1.35 H new ATOM 0 HD2 HIS A 29 0.639 8.013 1.796 1.00 1.00 H new ATOM 0 HE1 HIS A 29 4.340 8.639 3.744 1.00 1.47 H new ATOM 435 N ARG A 30 -0.391 12.123 -1.325 1.00 1.09 N ATOM 436 CA ARG A 30 -0.583 12.554 -2.713 1.00 1.15 C ATOM 437 C ARG A 30 0.464 11.982 -3.677 1.00 1.12 C ATOM 438 O ARG A 30 0.373 12.198 -4.881 1.00 1.60 O ATOM 439 CB ARG A 30 -0.778 14.080 -2.838 1.00 1.34 C ATOM 440 CG ARG A 30 0.485 14.918 -3.160 1.00 2.18 C ATOM 441 CD ARG A 30 0.789 16.163 -2.302 1.00 2.73 C ATOM 442 NE ARG A 30 -0.393 16.780 -1.672 1.00 3.39 N ATOM 443 CZ ARG A 30 -0.858 16.467 -0.449 1.00 4.53 C ATOM 444 NH1 ARG A 30 -0.276 15.489 0.247 1.00 5.34 N ATOM 445 NH2 ARG A 30 -1.914 17.110 0.060 1.00 5.71 N ATOM 0 H ARG A 30 -1.077 11.419 -1.054 1.00 1.09 H new ATOM 0 HA ARG A 30 -1.525 12.113 -3.038 1.00 1.15 H new ATOM 0 HB2 ARG A 30 -1.518 14.266 -3.617 1.00 1.34 H new ATOM 0 HB3 ARG A 30 -1.201 14.447 -1.903 1.00 1.34 H new ATOM 0 HG2 ARG A 30 1.347 14.254 -3.095 1.00 2.18 H new ATOM 0 HG3 ARG A 30 0.410 15.243 -4.198 1.00 2.18 H new ATOM 0 HD2 ARG A 30 1.497 15.885 -1.521 1.00 2.73 H new ATOM 0 HD3 ARG A 30 1.281 16.908 -2.928 1.00 2.73 H new ATOM 0 HE ARG A 30 -0.893 17.494 -2.201 1.00 3.39 H new ATOM 0 HH11 ARG A 30 0.517 14.984 -0.149 1.00 5.34 H new ATOM 0 HH12 ARG A 30 -0.624 15.247 1.175 1.00 5.34 H new ATOM 0 HH21 ARG A 30 -2.373 17.844 -0.480 1.00 5.71 H new ATOM 0 HH22 ARG A 30 -2.261 16.867 0.988 1.00 5.71 H new ATOM 459 N GLY A 31 1.432 11.218 -3.161 1.00 0.83 N ATOM 460 CA GLY A 31 2.391 10.482 -3.969 1.00 0.91 C ATOM 461 C GLY A 31 1.775 9.186 -4.485 1.00 0.82 C ATOM 462 O GLY A 31 2.097 8.711 -5.569 1.00 0.92 O ATOM 0 H GLY A 31 1.567 11.096 -2.157 1.00 0.83 H new ATOM 0 HA2 GLY A 31 2.715 11.097 -4.809 1.00 0.91 H new ATOM 0 HA3 GLY A 31 3.278 10.259 -3.377 1.00 0.91 H new ATOM 466 N ILE A 32 0.872 8.616 -3.684 1.00 1.00 N ATOM 467 CA ILE A 32 0.058 7.481 -4.056 1.00 0.95 C ATOM 468 C ILE A 32 -1.064 8.058 -4.919 1.00 0.98 C ATOM 469 O ILE A 32 -1.953 8.730 -4.399 1.00 1.36 O ATOM 470 CB ILE A 32 -0.479 6.809 -2.777 1.00 0.98 C ATOM 471 CG1 ILE A 32 0.620 6.153 -1.925 1.00 1.89 C ATOM 472 CG2 ILE A 32 -1.481 5.706 -3.127 1.00 2.00 C ATOM 473 CD1 ILE A 32 1.382 7.159 -1.064 1.00 3.01 C ATOM 0 H ILE A 32 0.690 8.947 -2.737 1.00 1.00 H new ATOM 0 HA ILE A 32 0.605 6.716 -4.606 1.00 0.95 H new ATOM 0 HB ILE A 32 -0.942 7.614 -2.206 1.00 0.98 H new ATOM 0 HG12 ILE A 32 0.171 5.397 -1.281 1.00 1.89 H new ATOM 0 HG13 ILE A 32 1.322 5.637 -2.580 1.00 1.89 H new ATOM 0 HG21 ILE A 32 -1.848 5.244 -2.211 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -2.318 6.136 -3.677 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -0.991 4.952 -3.743 1.00 2.00 H new ATOM 0 HD11 ILE A 32 2.145 6.638 -0.485 1.00 3.01 H new ATOM 0 HD12 ILE A 32 1.857 7.901 -1.706 1.00 3.01 H new ATOM 0 HD13 ILE A 32 0.689 7.657 -0.386 1.00 3.01 H new ATOM 485 N LEU A 33 -1.001 7.833 -6.231 1.00 0.83 N ATOM 486 CA LEU A 33 -1.991 8.340 -7.171 1.00 1.10 C ATOM 487 C LEU A 33 -3.225 7.453 -7.152 1.00 1.00 C ATOM 488 O LEU A 33 -4.338 7.946 -7.325 1.00 1.14 O ATOM 489 CB LEU A 33 -1.399 8.428 -8.583 1.00 1.36 C ATOM 490 CG LEU A 33 -0.134 9.298 -8.666 1.00 1.51 C ATOM 491 CD1 LEU A 33 0.305 9.392 -10.130 1.00 1.79 C ATOM 492 CD2 LEU A 33 -0.366 10.710 -8.116 1.00 2.12 C ATOM 0 H LEU A 33 -0.257 7.291 -6.670 1.00 0.83 H new ATOM 0 HA LEU A 33 -2.283 9.346 -6.869 1.00 1.10 H new ATOM 0 HB2 LEU A 33 -1.162 7.423 -8.932 1.00 1.36 H new ATOM 0 HB3 LEU A 33 -2.152 8.831 -9.260 1.00 1.36 H new ATOM 0 HG LEU A 33 0.638 8.830 -8.056 1.00 1.51 H new ATOM 0 HD11 LEU A 33 1.202 10.007 -10.202 1.00 1.79 H new ATOM 0 HD12 LEU A 33 0.518 8.393 -10.511 1.00 1.79 H new ATOM 0 HD13 LEU A 33 -0.492 9.843 -10.721 1.00 1.79 H new ATOM 0 HD21 LEU A 33 0.555 11.287 -8.196 1.00 2.12 H new ATOM 0 HD22 LEU A 33 -1.152 11.200 -8.691 1.00 2.12 H new ATOM 0 HD23 LEU A 33 -0.666 10.648 -7.070 1.00 2.12 H new ATOM 504 N TYR A 34 -3.039 6.151 -6.930 1.00 0.85 N ATOM 505 CA TYR A 34 -4.154 5.252 -6.744 1.00 0.90 C ATOM 506 C TYR A 34 -3.760 4.146 -5.776 1.00 0.77 C ATOM 507 O TYR A 34 -2.574 3.861 -5.612 1.00 0.76 O ATOM 508 CB TYR A 34 -4.600 4.708 -8.105 1.00 1.13 C ATOM 509 CG TYR A 34 -5.954 4.055 -8.059 1.00 1.17 C ATOM 510 CD1 TYR A 34 -7.069 4.824 -7.686 1.00 2.42 C ATOM 511 CD2 TYR A 34 -6.069 2.661 -8.189 1.00 1.53 C ATOM 512 CE1 TYR A 34 -8.264 4.189 -7.325 1.00 2.46 C ATOM 513 CE2 TYR A 34 -7.289 2.036 -7.900 1.00 1.67 C ATOM 514 CZ TYR A 34 -8.371 2.790 -7.414 1.00 1.43 C ATOM 515 OH TYR A 34 -9.496 2.160 -6.976 1.00 1.67 O ATOM 0 H TYR A 34 -2.123 5.706 -6.877 1.00 0.85 H new ATOM 0 HA TYR A 34 -5.002 5.779 -6.307 1.00 0.90 H new ATOM 0 HB2 TYR A 34 -4.620 5.524 -8.828 1.00 1.13 H new ATOM 0 HB3 TYR A 34 -3.865 3.985 -8.460 1.00 1.13 H new ATOM 0 HD1 TYR A 34 -7.005 5.902 -7.678 1.00 2.42 H new ATOM 0 HD2 TYR A 34 -5.221 2.074 -8.510 1.00 1.53 H new ATOM 0 HE1 TYR A 34 -9.103 4.774 -6.978 1.00 2.46 H new ATOM 0 HE2 TYR A 34 -7.398 0.972 -8.051 1.00 1.67 H new ATOM 0 HH TYR A 34 -9.247 1.413 -6.393 1.00 1.67 H new ATOM 525 N CYS A 35 -4.752 3.538 -5.130 1.00 0.77 N ATOM 526 CA CYS A 35 -4.584 2.456 -4.177 1.00 0.73 C ATOM 527 C CYS A 35 -5.833 1.596 -4.262 1.00 0.92 C ATOM 528 O CYS A 35 -6.940 2.131 -4.345 1.00 1.54 O ATOM 529 CB CYS A 35 -4.401 3.015 -2.768 1.00 0.63 C ATOM 530 SG CYS A 35 -3.986 1.639 -1.673 1.00 1.86 S ATOM 0 H CYS A 35 -5.729 3.799 -5.264 1.00 0.77 H new ATOM 0 HA CYS A 35 -3.697 1.865 -4.405 1.00 0.73 H new ATOM 0 HB2 CYS A 35 -3.610 3.765 -2.755 1.00 0.63 H new ATOM 0 HB3 CYS A 35 -5.313 3.508 -2.432 1.00 0.63 H new ATOM 0 HG CYS A 35 -3.821 2.083 -0.462 1.00 1.86 H new ATOM 536 N SER A 36 -5.674 0.278 -4.307 1.00 0.74 N ATOM 537 CA SER A 36 -6.754 -0.655 -4.063 1.00 0.91 C ATOM 538 C SER A 36 -6.164 -1.853 -3.336 1.00 0.69 C ATOM 539 O SER A 36 -5.285 -2.527 -3.883 1.00 0.71 O ATOM 540 CB SER A 36 -7.460 -1.030 -5.365 1.00 1.34 C ATOM 541 OG SER A 36 -8.209 0.087 -5.806 1.00 2.18 O ATOM 0 H SER A 36 -4.782 -0.171 -4.516 1.00 0.74 H new ATOM 0 HA SER A 36 -7.527 -0.207 -3.439 1.00 0.91 H new ATOM 0 HB2 SER A 36 -6.731 -1.320 -6.122 1.00 1.34 H new ATOM 0 HB3 SER A 36 -8.115 -1.887 -5.208 1.00 1.34 H new ATOM 0 HG SER A 36 -7.614 0.724 -6.253 1.00 2.18 H new ATOM 547 N VAL A 37 -6.605 -2.075 -2.095 1.00 0.58 N ATOM 548 CA VAL A 37 -6.078 -3.120 -1.238 1.00 0.44 C ATOM 549 C VAL A 37 -7.126 -4.214 -1.026 1.00 0.61 C ATOM 550 O VAL A 37 -8.170 -3.995 -0.418 1.00 0.78 O ATOM 551 CB VAL A 37 -5.458 -2.508 0.031 1.00 0.44 C ATOM 552 CG1 VAL A 37 -6.466 -2.004 1.061 1.00 1.22 C ATOM 553 CG2 VAL A 37 -4.557 -3.528 0.715 1.00 1.71 C ATOM 0 H VAL A 37 -7.345 -1.524 -1.660 1.00 0.58 H new ATOM 0 HA VAL A 37 -5.247 -3.638 -1.717 1.00 0.44 H new ATOM 0 HB VAL A 37 -4.902 -1.639 -0.322 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -5.935 -1.591 1.918 1.00 1.22 H new ATOM 0 HG12 VAL A 37 -7.088 -1.230 0.612 1.00 1.22 H new ATOM 0 HG13 VAL A 37 -7.096 -2.831 1.389 1.00 1.22 H new ATOM 0 HG21 VAL A 37 -4.123 -3.086 1.612 1.00 1.71 H new ATOM 0 HG22 VAL A 37 -5.143 -4.405 0.990 1.00 1.71 H new ATOM 0 HG23 VAL A 37 -3.759 -3.824 0.033 1.00 1.71 H new ATOM 563 N ALA A 38 -6.865 -5.397 -1.588 1.00 0.78 N ATOM 564 CA ALA A 38 -7.828 -6.474 -1.692 1.00 1.00 C ATOM 565 C ALA A 38 -7.395 -7.637 -0.805 1.00 0.78 C ATOM 566 O ALA A 38 -6.515 -8.413 -1.182 1.00 0.67 O ATOM 567 CB ALA A 38 -7.943 -6.891 -3.160 1.00 1.29 C ATOM 0 H ALA A 38 -5.956 -5.629 -1.989 1.00 0.78 H new ATOM 0 HA ALA A 38 -8.809 -6.147 -1.348 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -8.665 -7.702 -3.252 1.00 1.29 H new ATOM 0 HB2 ALA A 38 -8.275 -6.040 -3.755 1.00 1.29 H new ATOM 0 HB3 ALA A 38 -6.971 -7.228 -3.520 1.00 1.29 H new ATOM 573 N LEU A 39 -8.069 -7.790 0.342 1.00 0.83 N ATOM 574 CA LEU A 39 -7.997 -8.975 1.196 1.00 0.79 C ATOM 575 C LEU A 39 -8.084 -10.260 0.373 1.00 0.68 C ATOM 576 O LEU A 39 -7.380 -11.221 0.666 1.00 0.76 O ATOM 577 CB LEU A 39 -9.137 -8.957 2.227 1.00 1.07 C ATOM 578 CG LEU A 39 -8.806 -8.110 3.463 1.00 1.36 C ATOM 579 CD1 LEU A 39 -10.096 -7.738 4.202 1.00 1.79 C ATOM 580 CD2 LEU A 39 -7.895 -8.880 4.427 1.00 2.72 C ATOM 0 H LEU A 39 -8.695 -7.073 0.708 1.00 0.83 H new ATOM 0 HA LEU A 39 -7.035 -8.954 1.708 1.00 0.79 H new ATOM 0 HB2 LEU A 39 -10.040 -8.568 1.757 1.00 1.07 H new ATOM 0 HB3 LEU A 39 -9.355 -9.978 2.539 1.00 1.07 H new ATOM 0 HG LEU A 39 -8.292 -7.210 3.124 1.00 1.36 H new ATOM 0 HD11 LEU A 39 -9.853 -7.137 5.078 1.00 1.79 H new ATOM 0 HD12 LEU A 39 -10.744 -7.166 3.538 1.00 1.79 H new ATOM 0 HD13 LEU A 39 -10.610 -8.646 4.516 1.00 1.79 H new ATOM 0 HD21 LEU A 39 -7.675 -8.258 5.295 1.00 2.72 H new ATOM 0 HD22 LEU A 39 -8.397 -9.792 4.752 1.00 2.72 H new ATOM 0 HD23 LEU A 39 -6.965 -9.138 3.921 1.00 2.72 H new ATOM 592 N ALA A 40 -8.903 -10.261 -0.685 1.00 0.69 N ATOM 593 CA ALA A 40 -9.101 -11.414 -1.557 1.00 0.79 C ATOM 594 C ALA A 40 -7.775 -11.995 -2.051 1.00 0.87 C ATOM 595 O ALA A 40 -7.682 -13.190 -2.318 1.00 1.11 O ATOM 596 CB ALA A 40 -9.948 -11.003 -2.761 1.00 0.93 C ATOM 0 H ALA A 40 -9.453 -9.447 -0.960 1.00 0.69 H new ATOM 0 HA ALA A 40 -9.609 -12.184 -0.976 1.00 0.79 H new ATOM 0 HB1 ALA A 40 -10.096 -11.864 -3.413 1.00 0.93 H new ATOM 0 HB2 ALA A 40 -10.916 -10.637 -2.417 1.00 0.93 H new ATOM 0 HB3 ALA A 40 -9.437 -10.214 -3.313 1.00 0.93 H new ATOM 602 N THR A 41 -6.767 -11.134 -2.201 1.00 0.78 N ATOM 603 CA THR A 41 -5.438 -11.499 -2.657 1.00 0.87 C ATOM 604 C THR A 41 -4.387 -10.968 -1.672 1.00 0.80 C ATOM 605 O THR A 41 -3.212 -10.885 -2.029 1.00 0.97 O ATOM 606 CB THR A 41 -5.283 -10.987 -4.106 1.00 1.03 C ATOM 607 OG1 THR A 41 -3.962 -11.101 -4.601 1.00 1.28 O ATOM 608 CG2 THR A 41 -5.770 -9.545 -4.291 1.00 1.60 C ATOM 0 H THR A 41 -6.862 -10.138 -2.001 1.00 0.78 H new ATOM 0 HA THR A 41 -5.286 -12.578 -2.677 1.00 0.87 H new ATOM 0 HB THR A 41 -5.926 -11.646 -4.689 1.00 1.03 H new ATOM 0 HG1 THR A 41 -3.328 -11.058 -3.855 1.00 1.28 H new ATOM 0 HG21 THR A 41 -5.634 -9.245 -5.330 1.00 1.60 H new ATOM 0 HG22 THR A 41 -6.826 -9.482 -4.030 1.00 1.60 H new ATOM 0 HG23 THR A 41 -5.196 -8.881 -3.644 1.00 1.60 H new ATOM 616 N ASN A 42 -4.808 -10.613 -0.450 1.00 0.66 N ATOM 617 CA ASN A 42 -4.028 -9.932 0.580 1.00 0.64 C ATOM 618 C ASN A 42 -2.978 -8.981 -0.006 1.00 0.65 C ATOM 619 O ASN A 42 -1.827 -8.996 0.419 1.00 0.70 O ATOM 620 CB ASN A 42 -3.456 -10.971 1.568 1.00 0.79 C ATOM 621 CG ASN A 42 -4.313 -11.055 2.826 1.00 0.99 C ATOM 622 OD1 ASN A 42 -5.201 -11.891 2.934 1.00 2.13 O ATOM 623 ND2 ASN A 42 -4.058 -10.178 3.791 1.00 1.00 N ATOM 0 H ASN A 42 -5.760 -10.808 -0.141 1.00 0.66 H new ATOM 0 HA ASN A 42 -4.688 -9.275 1.146 1.00 0.64 H new ATOM 0 HB2 ASN A 42 -3.411 -11.949 1.088 1.00 0.79 H new ATOM 0 HB3 ASN A 42 -2.435 -10.700 1.836 1.00 0.79 H new ATOM 0 HD21 ASN A 42 -4.608 -10.190 4.650 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -3.312 -9.493 3.673 1.00 1.00 H new ATOM 630 N LYS A 43 -3.369 -8.141 -0.974 1.00 0.65 N ATOM 631 CA LYS A 43 -2.429 -7.334 -1.752 1.00 0.70 C ATOM 632 C LYS A 43 -2.913 -5.894 -1.887 1.00 0.60 C ATOM 633 O LYS A 43 -4.113 -5.666 -2.023 1.00 0.59 O ATOM 634 CB LYS A 43 -2.121 -8.031 -3.097 1.00 0.83 C ATOM 635 CG LYS A 43 -1.743 -7.118 -4.280 1.00 0.88 C ATOM 636 CD LYS A 43 -2.991 -6.660 -5.055 1.00 0.99 C ATOM 637 CE LYS A 43 -3.414 -7.645 -6.155 1.00 1.01 C ATOM 638 NZ LYS A 43 -2.477 -7.700 -7.297 1.00 1.29 N ATOM 0 H LYS A 43 -4.345 -8.004 -1.237 1.00 0.65 H new ATOM 0 HA LYS A 43 -1.481 -7.261 -1.220 1.00 0.70 H new ATOM 0 HB2 LYS A 43 -1.304 -8.735 -2.936 1.00 0.83 H new ATOM 0 HB3 LYS A 43 -2.994 -8.616 -3.385 1.00 0.83 H new ATOM 0 HG2 LYS A 43 -1.202 -6.247 -3.911 1.00 0.88 H new ATOM 0 HG3 LYS A 43 -1.070 -7.650 -4.952 1.00 0.88 H new ATOM 0 HD2 LYS A 43 -3.817 -6.529 -4.356 1.00 0.99 H new ATOM 0 HD3 LYS A 43 -2.795 -5.686 -5.504 1.00 0.99 H new ATOM 0 HE2 LYS A 43 -3.505 -8.641 -5.723 1.00 1.01 H new ATOM 0 HE3 LYS A 43 -4.402 -7.365 -6.520 1.00 1.01 H new ATOM 0 HZ1 LYS A 43 -2.816 -8.396 -7.991 1.00 1.29 H new ATOM 0 HZ2 LYS A 43 -2.421 -6.763 -7.745 1.00 1.29 H new ATOM 0 HZ3 LYS A 43 -1.534 -7.980 -6.959 1.00 1.29 H new ATOM 652 N ALA A 44 -1.968 -4.945 -1.860 1.00 0.58 N ATOM 653 CA ALA A 44 -2.167 -3.517 -2.059 1.00 0.47 C ATOM 654 C ALA A 44 -1.611 -3.158 -3.420 1.00 0.56 C ATOM 655 O ALA A 44 -0.407 -2.958 -3.529 1.00 0.68 O ATOM 656 CB ALA A 44 -1.432 -2.711 -0.977 1.00 0.45 C ATOM 0 H ALA A 44 -0.989 -5.175 -1.688 1.00 0.58 H new ATOM 0 HA ALA A 44 -3.229 -3.280 -1.996 1.00 0.47 H new ATOM 0 HB1 ALA A 44 -1.594 -1.646 -1.144 1.00 0.45 H new ATOM 0 HB2 ALA A 44 -1.815 -2.987 0.005 1.00 0.45 H new ATOM 0 HB3 ALA A 44 -0.365 -2.928 -1.024 1.00 0.45 H new ATOM 662 N HIS A 45 -2.469 -3.056 -4.437 1.00 0.58 N ATOM 663 CA HIS A 45 -2.069 -2.467 -5.692 1.00 0.63 C ATOM 664 C HIS A 45 -2.115 -0.971 -5.466 1.00 0.68 C ATOM 665 O HIS A 45 -3.186 -0.367 -5.417 1.00 0.76 O ATOM 666 CB HIS A 45 -3.013 -2.901 -6.809 1.00 0.66 C ATOM 667 CG HIS A 45 -2.514 -2.487 -8.158 1.00 0.71 C ATOM 668 ND1 HIS A 45 -1.960 -3.310 -9.106 1.00 0.76 N ATOM 669 CD2 HIS A 45 -2.435 -1.204 -8.612 1.00 0.90 C ATOM 670 CE1 HIS A 45 -1.614 -2.536 -10.147 1.00 0.89 C ATOM 671 NE2 HIS A 45 -1.877 -1.239 -9.894 1.00 0.97 N ATOM 0 H HIS A 45 -3.437 -3.375 -4.405 1.00 0.58 H new ATOM 0 HA HIS A 45 -1.073 -2.785 -6.000 1.00 0.63 H new ATOM 0 HB2 HIS A 45 -3.131 -3.984 -6.783 1.00 0.66 H new ATOM 0 HB3 HIS A 45 -3.999 -2.468 -6.639 1.00 0.66 H new ATOM 0 HD1 HIS A 45 -1.835 -4.320 -9.033 1.00 0.76 H new ATOM 0 HD2 HIS A 45 -2.747 -0.319 -8.077 1.00 0.90 H new ATOM 0 HE1 HIS A 45 -1.182 -2.904 -11.066 1.00 0.89 H new ATOM 679 N ILE A 46 -0.934 -0.394 -5.312 1.00 0.71 N ATOM 680 CA ILE A 46 -0.723 1.027 -5.281 1.00 0.72 C ATOM 681 C ILE A 46 -0.176 1.405 -6.640 1.00 0.76 C ATOM 682 O ILE A 46 0.693 0.725 -7.180 1.00 0.95 O ATOM 683 CB ILE A 46 0.220 1.355 -4.120 1.00 0.70 C ATOM 684 CG1 ILE A 46 -0.658 1.331 -2.863 1.00 1.06 C ATOM 685 CG2 ILE A 46 0.949 2.689 -4.313 1.00 0.64 C ATOM 686 CD1 ILE A 46 0.141 1.297 -1.569 1.00 1.12 C ATOM 0 H ILE A 46 -0.072 -0.929 -5.202 1.00 0.71 H new ATOM 0 HA ILE A 46 -1.632 1.602 -5.104 1.00 0.72 H new ATOM 0 HB ILE A 46 1.029 0.628 -4.047 1.00 0.70 H new ATOM 0 HG12 ILE A 46 -1.301 2.211 -2.861 1.00 1.06 H new ATOM 0 HG13 ILE A 46 -1.311 0.459 -2.901 1.00 1.06 H new ATOM 0 HG21 ILE A 46 1.604 2.872 -3.461 1.00 0.64 H new ATOM 0 HG22 ILE A 46 1.543 2.650 -5.226 1.00 0.64 H new ATOM 0 HG23 ILE A 46 0.219 3.495 -4.389 1.00 0.64 H new ATOM 0 HD11 ILE A 46 -0.542 1.281 -0.720 1.00 1.12 H new ATOM 0 HD12 ILE A 46 0.764 0.403 -1.550 1.00 1.12 H new ATOM 0 HD13 ILE A 46 0.774 2.182 -1.509 1.00 1.12 H new ATOM 698 N LYS A 47 -0.687 2.500 -7.190 1.00 0.75 N ATOM 699 CA LYS A 47 -0.006 3.214 -8.237 1.00 0.74 C ATOM 700 C LYS A 47 0.520 4.500 -7.619 1.00 0.68 C ATOM 701 O LYS A 47 -0.245 5.352 -7.163 1.00 0.76 O ATOM 702 CB LYS A 47 -0.916 3.426 -9.436 1.00 0.75 C ATOM 703 CG LYS A 47 -1.099 2.116 -10.214 1.00 0.72 C ATOM 704 CD LYS A 47 -1.688 2.359 -11.612 1.00 1.24 C ATOM 705 CE LYS A 47 -0.657 2.655 -12.717 1.00 2.10 C ATOM 706 NZ LYS A 47 0.157 3.863 -12.468 1.00 3.33 N ATOM 0 H LYS A 47 -1.581 2.908 -6.917 1.00 0.75 H new ATOM 0 HA LYS A 47 0.835 2.648 -8.637 1.00 0.74 H new ATOM 0 HB2 LYS A 47 -1.886 3.796 -9.102 1.00 0.75 H new ATOM 0 HB3 LYS A 47 -0.492 4.188 -10.091 1.00 0.75 H new ATOM 0 HG2 LYS A 47 -0.137 1.612 -10.308 1.00 0.72 H new ATOM 0 HG3 LYS A 47 -1.755 1.450 -9.654 1.00 0.72 H new ATOM 0 HD2 LYS A 47 -2.266 1.482 -11.902 1.00 1.24 H new ATOM 0 HD3 LYS A 47 -2.385 3.195 -11.555 1.00 1.24 H new ATOM 0 HE2 LYS A 47 0.007 1.797 -12.821 1.00 2.10 H new ATOM 0 HE3 LYS A 47 -1.180 2.770 -13.667 1.00 2.10 H new ATOM 0 HZ1 LYS A 47 0.717 4.085 -13.316 1.00 3.33 H new ATOM 0 HZ2 LYS A 47 -0.469 4.664 -12.247 1.00 3.33 H new ATOM 0 HZ3 LYS A 47 0.796 3.692 -11.666 1.00 3.33 H new ATOM 720 N TYR A 48 1.845 4.582 -7.577 1.00 0.69 N ATOM 721 CA TYR A 48 2.635 5.716 -7.142 1.00 0.57 C ATOM 722 C TYR A 48 3.628 5.933 -8.274 1.00 0.72 C ATOM 723 O TYR A 48 3.679 5.092 -9.168 1.00 1.15 O ATOM 724 CB TYR A 48 3.364 5.373 -5.831 1.00 0.57 C ATOM 725 CG TYR A 48 4.648 4.563 -5.989 1.00 0.69 C ATOM 726 CD1 TYR A 48 4.642 3.321 -6.657 1.00 1.74 C ATOM 727 CD2 TYR A 48 5.881 5.132 -5.618 1.00 1.68 C ATOM 728 CE1 TYR A 48 5.855 2.714 -7.025 1.00 1.98 C ATOM 729 CE2 TYR A 48 7.084 4.452 -5.863 1.00 1.79 C ATOM 730 CZ TYR A 48 7.074 3.253 -6.589 1.00 1.31 C ATOM 731 OH TYR A 48 8.246 2.612 -6.860 1.00 1.62 O ATOM 0 H TYR A 48 2.432 3.800 -7.868 1.00 0.69 H new ATOM 0 HA TYR A 48 2.036 6.605 -6.944 1.00 0.57 H new ATOM 0 HB2 TYR A 48 3.602 6.302 -5.313 1.00 0.57 H new ATOM 0 HB3 TYR A 48 2.680 4.817 -5.190 1.00 0.57 H new ATOM 0 HD1 TYR A 48 3.705 2.836 -6.886 1.00 1.74 H new ATOM 0 HD2 TYR A 48 5.901 6.101 -5.141 1.00 1.68 H new ATOM 0 HE1 TYR A 48 5.848 1.830 -7.645 1.00 1.98 H new ATOM 0 HE2 TYR A 48 8.016 4.852 -5.493 1.00 1.79 H new ATOM 0 HH TYR A 48 8.161 2.117 -7.701 1.00 1.62 H new ATOM 741 N ASP A 49 4.450 6.976 -8.208 1.00 0.67 N ATOM 742 CA ASP A 49 5.547 7.154 -9.149 1.00 1.02 C ATOM 743 C ASP A 49 6.820 7.416 -8.338 1.00 0.93 C ATOM 744 O ASP A 49 6.760 8.230 -7.408 1.00 0.95 O ATOM 745 CB ASP A 49 5.201 8.279 -10.130 1.00 1.49 C ATOM 746 CG ASP A 49 4.237 7.774 -11.199 1.00 2.74 C ATOM 747 OD1 ASP A 49 4.739 7.198 -12.188 1.00 3.64 O ATOM 748 OD2 ASP A 49 3.015 7.945 -11.001 1.00 3.69 O ATOM 0 H ASP A 49 4.375 7.714 -7.508 1.00 0.67 H new ATOM 0 HA ASP A 49 5.715 6.265 -9.757 1.00 1.02 H new ATOM 0 HB2 ASP A 49 4.753 9.114 -9.592 1.00 1.49 H new ATOM 0 HB3 ASP A 49 6.111 8.654 -10.599 1.00 1.49 H new ATOM 753 N PRO A 50 7.942 6.728 -8.640 1.00 0.98 N ATOM 754 CA PRO A 50 9.188 6.773 -7.873 1.00 1.10 C ATOM 755 C PRO A 50 9.938 8.087 -8.125 1.00 1.46 C ATOM 756 O PRO A 50 11.071 8.101 -8.599 1.00 2.79 O ATOM 757 CB PRO A 50 9.980 5.541 -8.328 1.00 1.14 C ATOM 758 CG PRO A 50 9.555 5.393 -9.787 1.00 1.21 C ATOM 759 CD PRO A 50 8.077 5.778 -9.737 1.00 1.11 C ATOM 0 HA PRO A 50 9.019 6.748 -6.796 1.00 1.10 H new ATOM 0 HB2 PRO A 50 11.055 5.692 -8.232 1.00 1.14 H new ATOM 0 HB3 PRO A 50 9.729 4.658 -7.741 1.00 1.14 H new ATOM 0 HG2 PRO A 50 10.124 6.050 -10.445 1.00 1.21 H new ATOM 0 HG3 PRO A 50 9.698 4.376 -10.151 1.00 1.21 H new ATOM 0 HD2 PRO A 50 7.759 6.224 -10.679 1.00 1.11 H new ATOM 0 HD3 PRO A 50 7.451 4.901 -9.572 1.00 1.11 H new ATOM 767 N GLU A 51 9.261 9.182 -7.795 1.00 0.90 N ATOM 768 CA GLU A 51 9.575 10.567 -8.107 1.00 1.33 C ATOM 769 C GLU A 51 8.897 11.437 -7.045 1.00 1.27 C ATOM 770 O GLU A 51 9.535 12.253 -6.385 1.00 1.41 O ATOM 771 CB GLU A 51 9.011 10.936 -9.493 1.00 1.93 C ATOM 772 CG GLU A 51 9.715 10.274 -10.690 1.00 1.71 C ATOM 773 CD GLU A 51 11.135 10.781 -10.929 1.00 2.27 C ATOM 774 OE1 GLU A 51 11.494 11.811 -10.320 1.00 2.96 O ATOM 775 OE2 GLU A 51 11.821 10.152 -11.764 1.00 3.38 O ATOM 0 H GLU A 51 8.400 9.113 -7.253 1.00 0.90 H new ATOM 0 HA GLU A 51 10.654 10.720 -8.116 1.00 1.33 H new ATOM 0 HB2 GLU A 51 7.955 10.667 -9.520 1.00 1.93 H new ATOM 0 HB3 GLU A 51 9.067 12.018 -9.613 1.00 1.93 H new ATOM 0 HG2 GLU A 51 9.746 9.196 -10.530 1.00 1.71 H new ATOM 0 HG3 GLU A 51 9.122 10.446 -11.588 1.00 1.71 H new ATOM 782 N ILE A 52 7.581 11.247 -6.883 1.00 1.36 N ATOM 783 CA ILE A 52 6.751 12.002 -5.959 1.00 1.49 C ATOM 784 C ILE A 52 6.743 11.337 -4.586 1.00 1.31 C ATOM 785 O ILE A 52 6.531 12.013 -3.583 1.00 1.50 O ATOM 786 CB ILE A 52 5.332 12.195 -6.531 1.00 1.69 C ATOM 787 CG1 ILE A 52 4.658 10.873 -6.951 1.00 2.37 C ATOM 788 CG2 ILE A 52 5.404 13.168 -7.716 1.00 1.95 C ATOM 789 CD1 ILE A 52 3.264 11.079 -7.553 1.00 2.98 C ATOM 0 H ILE A 52 7.059 10.545 -7.408 1.00 1.36 H new ATOM 0 HA ILE A 52 7.176 12.998 -5.831 1.00 1.49 H new ATOM 0 HB ILE A 52 4.707 12.606 -5.738 1.00 1.69 H new ATOM 0 HG12 ILE A 52 5.290 10.364 -7.678 1.00 2.37 H new ATOM 0 HG13 ILE A 52 4.580 10.219 -6.083 1.00 2.37 H new ATOM 0 HG21 ILE A 52 4.406 13.313 -8.129 1.00 1.95 H new ATOM 0 HG22 ILE A 52 5.799 14.126 -7.377 1.00 1.95 H new ATOM 0 HG23 ILE A 52 6.059 12.758 -8.485 1.00 1.95 H new ATOM 0 HD11 ILE A 52 2.841 10.113 -7.829 1.00 2.98 H new ATOM 0 HD12 ILE A 52 2.619 11.562 -6.819 1.00 2.98 H new ATOM 0 HD13 ILE A 52 3.340 11.709 -8.439 1.00 2.98 H new ATOM 801 N ILE A 53 6.986 10.022 -4.529 1.00 1.11 N ATOM 802 CA ILE A 53 7.193 9.323 -3.277 1.00 0.89 C ATOM 803 C ILE A 53 8.015 8.066 -3.556 1.00 1.36 C ATOM 804 O ILE A 53 7.976 7.560 -4.676 1.00 2.86 O ATOM 805 CB ILE A 53 5.830 9.036 -2.617 1.00 0.51 C ATOM 806 CG1 ILE A 53 6.065 8.759 -1.138 1.00 0.96 C ATOM 807 CG2 ILE A 53 5.065 7.903 -3.305 1.00 0.90 C ATOM 808 CD1 ILE A 53 4.781 8.638 -0.325 1.00 1.39 C ATOM 0 H ILE A 53 7.042 9.423 -5.353 1.00 1.11 H new ATOM 0 HA ILE A 53 7.755 9.928 -2.566 1.00 0.89 H new ATOM 0 HB ILE A 53 5.190 9.911 -2.728 1.00 0.51 H new ATOM 0 HG12 ILE A 53 6.637 7.837 -1.037 1.00 0.96 H new ATOM 0 HG13 ILE A 53 6.675 9.560 -0.720 1.00 0.96 H new ATOM 0 HG21 ILE A 53 4.113 7.746 -2.797 1.00 0.90 H new ATOM 0 HG22 ILE A 53 4.881 8.168 -4.346 1.00 0.90 H new ATOM 0 HG23 ILE A 53 5.655 6.987 -3.262 1.00 0.90 H new ATOM 0 HD11 ILE A 53 5.028 8.441 0.718 1.00 1.39 H new ATOM 0 HD12 ILE A 53 4.217 9.568 -0.395 1.00 1.39 H new ATOM 0 HD13 ILE A 53 4.178 7.818 -0.716 1.00 1.39 H new ATOM 820 N GLY A 54 8.769 7.573 -2.573 1.00 0.68 N ATOM 821 CA GLY A 54 9.507 6.325 -2.690 1.00 0.77 C ATOM 822 C GLY A 54 8.658 5.138 -2.218 1.00 0.77 C ATOM 823 O GLY A 54 7.629 5.312 -1.564 1.00 0.86 O ATOM 0 H GLY A 54 8.882 8.034 -1.670 1.00 0.68 H new ATOM 0 HA2 GLY A 54 9.808 6.172 -3.726 1.00 0.77 H new ATOM 0 HA3 GLY A 54 10.420 6.382 -2.098 1.00 0.77 H new ATOM 827 N PRO A 55 9.071 3.905 -2.551 1.00 0.78 N ATOM 828 CA PRO A 55 8.349 2.701 -2.173 1.00 0.88 C ATOM 829 C PRO A 55 8.467 2.444 -0.667 1.00 0.97 C ATOM 830 O PRO A 55 7.480 2.132 -0.002 1.00 0.97 O ATOM 831 CB PRO A 55 8.977 1.583 -3.010 1.00 1.05 C ATOM 832 CG PRO A 55 10.404 2.068 -3.272 1.00 0.96 C ATOM 833 CD PRO A 55 10.240 3.587 -3.356 1.00 0.80 C ATOM 0 HA PRO A 55 7.279 2.777 -2.365 1.00 0.88 H new ATOM 0 HB2 PRO A 55 8.971 0.633 -2.475 1.00 1.05 H new ATOM 0 HB3 PRO A 55 8.432 1.428 -3.941 1.00 1.05 H new ATOM 0 HG2 PRO A 55 11.082 1.779 -2.469 1.00 0.96 H new ATOM 0 HG3 PRO A 55 10.808 1.654 -4.196 1.00 0.96 H new ATOM 0 HD2 PRO A 55 11.126 4.097 -2.978 1.00 0.80 H new ATOM 0 HD3 PRO A 55 10.103 3.909 -4.388 1.00 0.80 H new ATOM 841 N ARG A 56 9.684 2.574 -0.125 1.00 1.09 N ATOM 842 CA ARG A 56 9.945 2.380 1.296 1.00 1.25 C ATOM 843 C ARG A 56 9.029 3.262 2.134 1.00 1.13 C ATOM 844 O ARG A 56 8.477 2.808 3.128 1.00 1.13 O ATOM 845 CB ARG A 56 11.425 2.617 1.618 1.00 1.55 C ATOM 846 CG ARG A 56 12.292 1.546 0.941 1.00 3.15 C ATOM 847 CD ARG A 56 13.721 1.558 1.494 1.00 3.80 C ATOM 848 NE ARG A 56 14.517 0.473 0.897 1.00 5.48 N ATOM 849 CZ ARG A 56 15.732 0.084 1.316 1.00 6.67 C ATOM 850 NH1 ARG A 56 16.329 0.736 2.320 1.00 6.70 N ATOM 851 NH2 ARG A 56 16.340 -0.955 0.732 1.00 8.28 N ATOM 0 H ARG A 56 10.514 2.817 -0.666 1.00 1.09 H new ATOM 0 HA ARG A 56 9.724 1.344 1.552 1.00 1.25 H new ATOM 0 HB2 ARG A 56 11.725 3.608 1.277 1.00 1.55 H new ATOM 0 HB3 ARG A 56 11.579 2.592 2.697 1.00 1.55 H new ATOM 0 HG2 ARG A 56 11.847 0.563 1.096 1.00 3.15 H new ATOM 0 HG3 ARG A 56 12.314 1.719 -0.135 1.00 3.15 H new ATOM 0 HD2 ARG A 56 14.190 2.519 1.283 1.00 3.80 H new ATOM 0 HD3 ARG A 56 13.698 1.446 2.578 1.00 3.80 H new ATOM 0 HE ARG A 56 14.114 -0.023 0.102 1.00 5.48 H new ATOM 0 HH11 ARG A 56 15.861 1.526 2.765 1.00 6.70 H new ATOM 0 HH12 ARG A 56 17.252 0.443 2.641 1.00 6.70 H new ATOM 0 HH21 ARG A 56 15.881 -1.451 -0.031 1.00 8.28 H new ATOM 0 HH22 ARG A 56 17.263 -1.251 1.050 1.00 8.28 H new ATOM 865 N ASP A 57 8.851 4.511 1.716 1.00 1.10 N ATOM 866 CA ASP A 57 7.949 5.480 2.305 1.00 1.08 C ATOM 867 C ASP A 57 6.569 4.842 2.491 1.00 0.94 C ATOM 868 O ASP A 57 6.035 4.786 3.599 1.00 0.92 O ATOM 869 CB ASP A 57 7.830 6.741 1.414 1.00 1.18 C ATOM 870 CG ASP A 57 9.053 7.195 0.607 1.00 2.65 C ATOM 871 OD1 ASP A 57 10.021 6.411 0.468 1.00 3.98 O ATOM 872 OD2 ASP A 57 8.962 8.308 0.045 1.00 3.27 O ATOM 0 H ASP A 57 9.360 4.888 0.917 1.00 1.10 H new ATOM 0 HA ASP A 57 8.348 5.785 3.272 1.00 1.08 H new ATOM 0 HB2 ASP A 57 7.015 6.572 0.710 1.00 1.18 H new ATOM 0 HB3 ASP A 57 7.531 7.571 2.055 1.00 1.18 H new ATOM 877 N ILE A 58 5.998 4.333 1.394 1.00 0.85 N ATOM 878 CA ILE A 58 4.679 3.716 1.400 1.00 0.69 C ATOM 879 C ILE A 58 4.671 2.536 2.364 1.00 0.64 C ATOM 880 O ILE A 58 3.771 2.423 3.195 1.00 0.59 O ATOM 881 CB ILE A 58 4.286 3.303 -0.029 1.00 0.67 C ATOM 882 CG1 ILE A 58 3.806 4.526 -0.812 1.00 0.69 C ATOM 883 CG2 ILE A 58 3.182 2.245 -0.039 1.00 0.63 C ATOM 884 CD1 ILE A 58 4.187 4.399 -2.283 1.00 0.99 C ATOM 0 H ILE A 58 6.444 4.340 0.477 1.00 0.85 H new ATOM 0 HA ILE A 58 3.934 4.431 1.747 1.00 0.69 H new ATOM 0 HB ILE A 58 5.173 2.875 -0.496 1.00 0.67 H new ATOM 0 HG12 ILE A 58 2.725 4.625 -0.717 1.00 0.69 H new ATOM 0 HG13 ILE A 58 4.247 5.430 -0.392 1.00 0.69 H new ATOM 0 HG21 ILE A 58 2.937 1.984 -1.069 1.00 0.63 H new ATOM 0 HG22 ILE A 58 3.526 1.355 0.489 1.00 0.63 H new ATOM 0 HG23 ILE A 58 2.295 2.640 0.456 1.00 0.63 H new ATOM 0 HD11 ILE A 58 3.838 5.277 -2.826 1.00 0.99 H new ATOM 0 HD12 ILE A 58 5.271 4.323 -2.373 1.00 0.99 H new ATOM 0 HD13 ILE A 58 3.725 3.506 -2.703 1.00 0.99 H new ATOM 896 N ILE A 59 5.664 1.654 2.237 1.00 0.72 N ATOM 897 CA ILE A 59 5.780 0.476 3.085 1.00 0.77 C ATOM 898 C ILE A 59 5.750 0.892 4.556 1.00 0.77 C ATOM 899 O ILE A 59 4.917 0.396 5.309 1.00 0.70 O ATOM 900 CB ILE A 59 7.034 -0.321 2.698 1.00 0.93 C ATOM 901 CG1 ILE A 59 6.813 -0.939 1.308 1.00 1.04 C ATOM 902 CG2 ILE A 59 7.346 -1.428 3.716 1.00 1.06 C ATOM 903 CD1 ILE A 59 8.125 -1.160 0.568 1.00 1.44 C ATOM 0 H ILE A 59 6.407 1.740 1.543 1.00 0.72 H new ATOM 0 HA ILE A 59 4.930 -0.190 2.934 1.00 0.77 H new ATOM 0 HB ILE A 59 7.886 0.358 2.686 1.00 0.93 H new ATOM 0 HG12 ILE A 59 6.291 -1.890 1.413 1.00 1.04 H new ATOM 0 HG13 ILE A 59 6.170 -0.286 0.719 1.00 1.04 H new ATOM 0 HG21 ILE A 59 8.240 -1.967 3.404 1.00 1.06 H new ATOM 0 HG22 ILE A 59 7.514 -0.983 4.697 1.00 1.06 H new ATOM 0 HG23 ILE A 59 6.505 -2.120 3.770 1.00 1.06 H new ATOM 0 HD11 ILE A 59 7.922 -1.598 -0.409 1.00 1.44 H new ATOM 0 HD12 ILE A 59 8.635 -0.205 0.439 1.00 1.44 H new ATOM 0 HD13 ILE A 59 8.758 -1.835 1.144 1.00 1.44 H new ATOM 915 N HIS A 60 6.608 1.837 4.953 1.00 0.87 N ATOM 916 CA HIS A 60 6.624 2.373 6.301 1.00 0.90 C ATOM 917 C HIS A 60 5.221 2.805 6.701 1.00 0.79 C ATOM 918 O HIS A 60 4.747 2.397 7.761 1.00 0.80 O ATOM 919 CB HIS A 60 7.595 3.555 6.428 1.00 1.06 C ATOM 920 CG HIS A 60 9.040 3.207 6.189 1.00 1.85 C ATOM 921 ND1 HIS A 60 9.917 3.910 5.396 1.00 2.83 N ATOM 922 CD2 HIS A 60 9.742 2.198 6.791 1.00 2.06 C ATOM 923 CE1 HIS A 60 11.120 3.326 5.511 1.00 3.58 C ATOM 924 NE2 HIS A 60 11.066 2.278 6.350 1.00 3.12 N ATOM 0 H HIS A 60 7.311 2.248 4.339 1.00 0.87 H new ATOM 0 HA HIS A 60 6.969 1.586 6.972 1.00 0.90 H new ATOM 0 HB2 HIS A 60 7.299 4.329 5.720 1.00 1.06 H new ATOM 0 HB3 HIS A 60 7.498 3.982 7.426 1.00 1.06 H new ATOM 0 HD2 HIS A 60 9.344 1.470 7.483 1.00 2.06 H new ATOM 0 HE1 HIS A 60 12.012 3.654 4.998 1.00 3.58 H new ATOM 0 HE2 HIS A 60 11.837 1.664 6.613 1.00 3.12 H new ATOM 932 N THR A 61 4.550 3.612 5.869 1.00 0.72 N ATOM 933 CA THR A 61 3.222 4.093 6.226 1.00 0.66 C ATOM 934 C THR A 61 2.279 2.910 6.480 1.00 0.53 C ATOM 935 O THR A 61 1.651 2.825 7.535 1.00 0.53 O ATOM 936 CB THR A 61 2.682 5.044 5.148 1.00 0.73 C ATOM 937 OG1 THR A 61 3.629 6.045 4.857 1.00 0.94 O ATOM 938 CG2 THR A 61 1.409 5.745 5.631 1.00 0.81 C ATOM 0 H THR A 61 4.899 3.936 4.967 1.00 0.72 H new ATOM 0 HA THR A 61 3.287 4.664 7.152 1.00 0.66 H new ATOM 0 HB THR A 61 2.471 4.444 4.263 1.00 0.73 H new ATOM 0 HG1 THR A 61 3.263 6.656 4.184 1.00 0.94 H new ATOM 0 HG21 THR A 61 1.044 6.414 4.852 1.00 0.81 H new ATOM 0 HG22 THR A 61 0.646 5.000 5.856 1.00 0.81 H new ATOM 0 HG23 THR A 61 1.630 6.321 6.530 1.00 0.81 H new ATOM 946 N ILE A 62 2.190 1.992 5.513 1.00 0.52 N ATOM 947 CA ILE A 62 1.331 0.817 5.576 1.00 0.59 C ATOM 948 C ILE A 62 1.600 0.028 6.852 1.00 0.63 C ATOM 949 O ILE A 62 0.689 -0.178 7.654 1.00 0.64 O ATOM 950 CB ILE A 62 1.528 -0.038 4.312 1.00 0.65 C ATOM 951 CG1 ILE A 62 0.870 0.707 3.142 1.00 0.67 C ATOM 952 CG2 ILE A 62 0.922 -1.443 4.448 1.00 0.72 C ATOM 953 CD1 ILE A 62 1.203 0.075 1.795 1.00 0.93 C ATOM 0 H ILE A 62 2.727 2.051 4.648 1.00 0.52 H new ATOM 0 HA ILE A 62 0.287 1.129 5.608 1.00 0.59 H new ATOM 0 HB ILE A 62 2.596 -0.180 4.146 1.00 0.65 H new ATOM 0 HG12 ILE A 62 -0.211 0.714 3.280 1.00 0.67 H new ATOM 0 HG13 ILE A 62 1.199 1.746 3.145 1.00 0.67 H new ATOM 0 HG21 ILE A 62 1.090 -2.002 3.528 1.00 0.72 H new ATOM 0 HG22 ILE A 62 1.394 -1.964 5.281 1.00 0.72 H new ATOM 0 HG23 ILE A 62 -0.149 -1.361 4.632 1.00 0.72 H new ATOM 0 HD11 ILE A 62 0.715 0.637 0.999 1.00 0.93 H new ATOM 0 HD12 ILE A 62 2.282 0.092 1.642 1.00 0.93 H new ATOM 0 HD13 ILE A 62 0.850 -0.956 1.780 1.00 0.93 H new ATOM 965 N GLU A 63 2.836 -0.438 7.027 1.00 0.77 N ATOM 966 CA GLU A 63 3.162 -1.284 8.155 1.00 1.00 C ATOM 967 C GLU A 63 2.843 -0.539 9.452 1.00 0.89 C ATOM 968 O GLU A 63 2.093 -1.042 10.290 1.00 0.94 O ATOM 969 CB GLU A 63 4.613 -1.771 8.057 1.00 1.30 C ATOM 970 CG GLU A 63 4.819 -2.616 6.789 1.00 2.45 C ATOM 971 CD GLU A 63 6.182 -3.298 6.775 1.00 3.29 C ATOM 972 OE1 GLU A 63 7.185 -2.564 6.891 1.00 3.28 O ATOM 973 OE2 GLU A 63 6.193 -4.542 6.632 1.00 4.56 O ATOM 0 H GLU A 63 3.618 -0.241 6.402 1.00 0.77 H new ATOM 0 HA GLU A 63 2.550 -2.186 8.149 1.00 1.00 H new ATOM 0 HB2 GLU A 63 5.289 -0.916 8.044 1.00 1.30 H new ATOM 0 HB3 GLU A 63 4.864 -2.362 8.938 1.00 1.30 H new ATOM 0 HG2 GLU A 63 4.035 -3.370 6.724 1.00 2.45 H new ATOM 0 HG3 GLU A 63 4.722 -1.980 5.909 1.00 2.45 H new ATOM 980 N SER A 64 3.339 0.698 9.562 1.00 0.84 N ATOM 981 CA SER A 64 3.086 1.582 10.691 1.00 0.87 C ATOM 982 C SER A 64 1.593 1.658 11.039 1.00 0.76 C ATOM 983 O SER A 64 1.241 1.552 12.212 1.00 1.05 O ATOM 984 CB SER A 64 3.710 2.958 10.412 1.00 0.91 C ATOM 985 OG SER A 64 3.493 3.855 11.482 1.00 0.99 O ATOM 0 H SER A 64 3.939 1.116 8.851 1.00 0.84 H new ATOM 0 HA SER A 64 3.564 1.171 11.580 1.00 0.87 H new ATOM 0 HB2 SER A 64 4.781 2.845 10.243 1.00 0.91 H new ATOM 0 HB3 SER A 64 3.285 3.372 9.498 1.00 0.91 H new ATOM 0 HG SER A 64 3.904 4.720 11.272 1.00 0.99 H new ATOM 991 N LEU A 65 0.698 1.826 10.054 1.00 0.56 N ATOM 992 CA LEU A 65 -0.728 1.903 10.343 1.00 0.58 C ATOM 993 C LEU A 65 -1.258 0.694 11.118 1.00 0.63 C ATOM 994 O LEU A 65 -1.941 0.890 12.125 1.00 1.01 O ATOM 995 CB LEU A 65 -1.522 2.089 9.050 1.00 0.74 C ATOM 996 CG LEU A 65 -1.372 3.519 8.522 1.00 0.99 C ATOM 997 CD1 LEU A 65 -1.531 3.481 7.007 1.00 1.87 C ATOM 998 CD2 LEU A 65 -2.411 4.450 9.154 1.00 1.35 C ATOM 0 H LEU A 65 0.939 1.909 9.066 1.00 0.56 H new ATOM 0 HA LEU A 65 -0.864 2.770 10.990 1.00 0.58 H new ATOM 0 HB2 LEU A 65 -1.174 1.380 8.299 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -2.575 1.871 9.230 1.00 0.74 H new ATOM 0 HG LEU A 65 -0.390 3.910 8.786 1.00 0.99 H new ATOM 0 HD11 LEU A 65 -1.428 4.489 6.605 1.00 1.87 H new ATOM 0 HD12 LEU A 65 -0.763 2.839 6.577 1.00 1.87 H new ATOM 0 HD13 LEU A 65 -2.516 3.088 6.754 1.00 1.87 H new ATOM 0 HD21 LEU A 65 -2.282 5.459 8.762 1.00 1.35 H new ATOM 0 HD22 LEU A 65 -3.413 4.093 8.915 1.00 1.35 H new ATOM 0 HD23 LEU A 65 -2.279 4.462 10.236 1.00 1.35 H new ATOM 1010 N GLY A 66 -1.085 -0.530 10.604 1.00 0.62 N ATOM 1011 CA GLY A 66 -1.547 -1.701 11.346 1.00 0.84 C ATOM 1012 C GLY A 66 -0.951 -3.051 10.939 1.00 0.87 C ATOM 1013 O GLY A 66 -1.520 -4.071 11.322 1.00 1.39 O ATOM 0 H GLY A 66 -0.643 -0.729 9.707 1.00 0.62 H new ATOM 0 HA2 GLY A 66 -1.335 -1.540 12.403 1.00 0.84 H new ATOM 0 HA3 GLY A 66 -2.630 -1.763 11.244 1.00 0.84 H new ATOM 1017 N PHE A 67 0.097 -3.093 10.109 1.00 0.57 N ATOM 1018 CA PHE A 67 0.337 -4.259 9.251 1.00 0.49 C ATOM 1019 C PHE A 67 1.811 -4.649 9.188 1.00 0.71 C ATOM 1020 O PHE A 67 2.671 -3.950 9.716 1.00 1.41 O ATOM 1021 CB PHE A 67 -0.216 -3.956 7.845 1.00 0.44 C ATOM 1022 CG PHE A 67 -1.650 -3.458 7.848 1.00 0.43 C ATOM 1023 CD1 PHE A 67 -2.640 -4.241 8.464 1.00 1.72 C ATOM 1024 CD2 PHE A 67 -1.936 -2.121 7.513 1.00 1.88 C ATOM 1025 CE1 PHE A 67 -3.862 -3.667 8.848 1.00 1.71 C ATOM 1026 CE2 PHE A 67 -3.161 -1.545 7.886 1.00 1.89 C ATOM 1027 CZ PHE A 67 -4.123 -2.317 8.557 1.00 0.40 C ATOM 0 H PHE A 67 0.784 -2.345 10.013 1.00 0.57 H new ATOM 0 HA PHE A 67 -0.180 -5.117 9.681 1.00 0.49 H new ATOM 0 HB2 PHE A 67 0.418 -3.208 7.368 1.00 0.44 H new ATOM 0 HB3 PHE A 67 -0.156 -4.859 7.238 1.00 0.44 H new ATOM 0 HD1 PHE A 67 -2.460 -5.291 8.643 1.00 1.72 H new ATOM 0 HD2 PHE A 67 -1.211 -1.536 6.967 1.00 1.88 H new ATOM 0 HE1 PHE A 67 -4.600 -4.261 9.366 1.00 1.71 H new ATOM 0 HE2 PHE A 67 -3.363 -0.509 7.657 1.00 1.89 H new ATOM 0 HZ PHE A 67 -5.063 -1.873 8.849 1.00 0.40 H new ATOM 1037 N GLU A 68 2.090 -5.753 8.490 1.00 0.50 N ATOM 1038 CA GLU A 68 3.389 -6.014 7.895 1.00 0.55 C ATOM 1039 C GLU A 68 3.163 -6.155 6.383 1.00 0.64 C ATOM 1040 O GLU A 68 2.044 -6.466 5.963 1.00 1.13 O ATOM 1041 CB GLU A 68 3.994 -7.308 8.434 1.00 0.65 C ATOM 1042 CG GLU A 68 3.958 -7.538 9.948 1.00 1.89 C ATOM 1043 CD GLU A 68 4.373 -8.963 10.303 1.00 2.38 C ATOM 1044 OE1 GLU A 68 5.186 -9.535 9.535 1.00 2.56 O ATOM 1045 OE2 GLU A 68 3.831 -9.492 11.293 1.00 3.69 O ATOM 0 H GLU A 68 1.409 -6.494 8.324 1.00 0.50 H new ATOM 0 HA GLU A 68 4.078 -5.203 8.132 1.00 0.55 H new ATOM 0 HB2 GLU A 68 3.480 -8.142 7.956 1.00 0.65 H new ATOM 0 HB3 GLU A 68 5.035 -7.350 8.114 1.00 0.65 H new ATOM 0 HG2 GLU A 68 4.624 -6.830 10.441 1.00 1.89 H new ATOM 0 HG3 GLU A 68 2.953 -7.346 10.323 1.00 1.89 H new ATOM 1052 N ALA A 69 4.203 -5.964 5.569 1.00 0.72 N ATOM 1053 CA ALA A 69 4.108 -5.944 4.116 1.00 0.82 C ATOM 1054 C ALA A 69 5.187 -6.803 3.446 1.00 1.15 C ATOM 1055 O ALA A 69 6.058 -7.365 4.115 1.00 1.81 O ATOM 1056 CB ALA A 69 4.195 -4.494 3.644 1.00 0.96 C ATOM 0 H ALA A 69 5.152 -5.816 5.913 1.00 0.72 H new ATOM 0 HA ALA A 69 3.152 -6.379 3.825 1.00 0.82 H new ATOM 0 HB1 ALA A 69 4.125 -4.460 2.557 1.00 0.96 H new ATOM 0 HB2 ALA A 69 3.376 -3.920 4.078 1.00 0.96 H new ATOM 0 HB3 ALA A 69 5.146 -4.065 3.960 1.00 0.96 H new ATOM 1062 N SER A 70 5.083 -6.981 2.125 1.00 0.90 N ATOM 1063 CA SER A 70 6.106 -7.585 1.277 1.00 1.05 C ATOM 1064 C SER A 70 5.910 -7.133 -0.174 1.00 0.88 C ATOM 1065 O SER A 70 4.953 -7.576 -0.804 1.00 0.88 O ATOM 1066 CB SER A 70 6.014 -9.115 1.382 1.00 1.32 C ATOM 1067 OG SER A 70 7.037 -9.741 0.632 1.00 2.79 O ATOM 0 H SER A 70 4.254 -6.697 1.602 1.00 0.90 H new ATOM 0 HA SER A 70 7.094 -7.266 1.608 1.00 1.05 H new ATOM 0 HB2 SER A 70 6.089 -9.416 2.427 1.00 1.32 H new ATOM 0 HB3 SER A 70 5.040 -9.449 1.024 1.00 1.32 H new ATOM 0 HG SER A 70 6.956 -10.714 0.717 1.00 2.79 H new ATOM 1073 N LEU A 71 6.810 -6.321 -0.741 1.00 0.87 N ATOM 1074 CA LEU A 71 6.893 -6.115 -2.191 1.00 0.88 C ATOM 1075 C LEU A 71 7.263 -7.443 -2.858 1.00 0.86 C ATOM 1076 O LEU A 71 8.426 -7.736 -3.114 1.00 1.26 O ATOM 1077 CB LEU A 71 7.887 -4.991 -2.539 1.00 1.04 C ATOM 1078 CG LEU A 71 9.265 -5.083 -1.854 1.00 1.56 C ATOM 1079 CD1 LEU A 71 10.377 -4.817 -2.877 1.00 2.43 C ATOM 1080 CD2 LEU A 71 9.382 -4.045 -0.731 1.00 2.25 C ATOM 0 H LEU A 71 7.499 -5.790 -0.209 1.00 0.87 H new ATOM 0 HA LEU A 71 5.925 -5.791 -2.572 1.00 0.88 H new ATOM 0 HB2 LEU A 71 8.038 -4.985 -3.619 1.00 1.04 H new ATOM 0 HB3 LEU A 71 7.434 -4.035 -2.276 1.00 1.04 H new ATOM 0 HG LEU A 71 9.367 -6.085 -1.437 1.00 1.56 H new ATOM 0 HD11 LEU A 71 11.347 -4.884 -2.385 1.00 2.43 H new ATOM 0 HD12 LEU A 71 10.323 -5.558 -3.674 1.00 2.43 H new ATOM 0 HD13 LEU A 71 10.252 -3.820 -3.299 1.00 2.43 H new ATOM 0 HD21 LEU A 71 10.362 -4.127 -0.261 1.00 2.25 H new ATOM 0 HD22 LEU A 71 9.261 -3.044 -1.146 1.00 2.25 H new ATOM 0 HD23 LEU A 71 8.606 -4.225 0.013 1.00 2.25 H new ATOM 1092 N VAL A 72 6.247 -8.268 -3.109 1.00 1.08 N ATOM 1093 CA VAL A 72 6.391 -9.607 -3.662 1.00 1.30 C ATOM 1094 C VAL A 72 7.027 -9.628 -5.058 1.00 1.77 C ATOM 1095 O VAL A 72 7.553 -10.663 -5.463 1.00 3.21 O ATOM 1096 CB VAL A 72 5.036 -10.334 -3.632 1.00 1.20 C ATOM 1097 CG1 VAL A 72 4.695 -10.767 -2.205 1.00 1.36 C ATOM 1098 CG2 VAL A 72 3.896 -9.511 -4.250 1.00 1.21 C ATOM 0 H VAL A 72 5.276 -8.013 -2.927 1.00 1.08 H new ATOM 0 HA VAL A 72 7.094 -10.146 -3.027 1.00 1.30 H new ATOM 0 HB VAL A 72 5.139 -11.221 -4.257 1.00 1.20 H new ATOM 0 HG11 VAL A 72 3.733 -11.280 -2.200 1.00 1.36 H new ATOM 0 HG12 VAL A 72 5.468 -11.441 -1.835 1.00 1.36 H new ATOM 0 HG13 VAL A 72 4.641 -9.889 -1.561 1.00 1.36 H new ATOM 0 HG21 VAL A 72 2.967 -10.079 -4.198 1.00 1.21 H new ATOM 0 HG22 VAL A 72 3.781 -8.577 -3.699 1.00 1.21 H new ATOM 0 HG23 VAL A 72 4.129 -9.291 -5.292 1.00 1.21 H new ATOM 1108 N LYS A 73 6.996 -8.510 -5.790 1.00 1.42 N ATOM 1109 CA LYS A 73 7.833 -8.327 -6.968 1.00 2.02 C ATOM 1110 C LYS A 73 8.330 -6.881 -6.970 1.00 3.06 C ATOM 1111 O LYS A 73 9.037 -6.489 -6.048 1.00 4.65 O ATOM 1112 CB LYS A 73 7.100 -8.808 -8.241 1.00 2.72 C ATOM 1113 CG LYS A 73 8.022 -9.131 -9.438 1.00 3.88 C ATOM 1114 CD LYS A 73 8.270 -7.983 -10.438 1.00 4.00 C ATOM 1115 CE LYS A 73 8.986 -8.489 -11.705 1.00 5.05 C ATOM 1116 NZ LYS A 73 10.417 -8.782 -11.467 1.00 5.78 N ATOM 0 H LYS A 73 6.393 -7.715 -5.580 1.00 1.42 H new ATOM 0 HA LYS A 73 8.725 -8.954 -6.948 1.00 2.02 H new ATOM 0 HB2 LYS A 73 6.522 -9.699 -7.995 1.00 2.72 H new ATOM 0 HB3 LYS A 73 6.389 -8.040 -8.545 1.00 2.72 H new ATOM 0 HG2 LYS A 73 8.986 -9.460 -9.049 1.00 3.88 H new ATOM 0 HG3 LYS A 73 7.594 -9.973 -9.982 1.00 3.88 H new ATOM 0 HD2 LYS A 73 7.320 -7.526 -10.713 1.00 4.00 H new ATOM 0 HD3 LYS A 73 8.871 -7.208 -9.963 1.00 4.00 H new ATOM 0 HE2 LYS A 73 8.489 -9.390 -12.064 1.00 5.05 H new ATOM 0 HE3 LYS A 73 8.898 -7.740 -12.492 1.00 5.05 H new ATOM 0 HZ1 LYS A 73 10.713 -9.578 -12.067 1.00 5.78 H new ATOM 0 HZ2 LYS A 73 10.986 -7.943 -11.699 1.00 5.78 H new ATOM 0 HZ3 LYS A 73 10.559 -9.031 -10.467 1.00 5.78 H new ATOM 1130 N ILE A 74 7.982 -6.097 -7.994 1.00 3.52 N ATOM 1131 CA ILE A 74 8.559 -4.790 -8.312 1.00 5.63 C ATOM 1132 C ILE A 74 10.087 -4.701 -8.131 1.00 6.85 C ATOM 1133 O ILE A 74 10.639 -3.617 -7.960 1.00 8.09 O ATOM 1134 CB ILE A 74 7.745 -3.652 -7.676 1.00 6.61 C ATOM 1135 CG1 ILE A 74 7.776 -3.704 -6.140 1.00 7.60 C ATOM 1136 CG2 ILE A 74 6.311 -3.725 -8.219 1.00 6.52 C ATOM 1137 CD1 ILE A 74 6.921 -2.622 -5.489 1.00 8.21 C ATOM 0 H ILE A 74 7.255 -6.371 -8.655 1.00 3.52 H new ATOM 0 HA ILE A 74 8.462 -4.654 -9.389 1.00 5.63 H new ATOM 0 HB ILE A 74 8.192 -2.695 -7.946 1.00 6.61 H new ATOM 0 HG12 ILE A 74 7.428 -4.682 -5.808 1.00 7.60 H new ATOM 0 HG13 ILE A 74 8.806 -3.599 -5.799 1.00 7.60 H new ATOM 0 HG21 ILE A 74 5.715 -2.925 -7.780 1.00 6.52 H new ATOM 0 HG22 ILE A 74 6.326 -3.613 -9.303 1.00 6.52 H new ATOM 0 HG23 ILE A 74 5.872 -4.689 -7.960 1.00 6.52 H new ATOM 0 HD11 ILE A 74 6.984 -2.712 -4.405 1.00 8.21 H new ATOM 0 HD12 ILE A 74 7.283 -1.640 -5.794 1.00 8.21 H new ATOM 0 HD13 ILE A 74 5.884 -2.740 -5.803 1.00 8.21 H new ATOM 1149 N GLU A 75 10.750 -5.846 -8.283 1.00 6.90 N ATOM 1150 CA GLU A 75 12.132 -6.050 -8.641 1.00 8.22 C ATOM 1151 C GLU A 75 11.984 -7.265 -9.556 1.00 8.15 C ATOM 1152 O GLU A 75 12.320 -7.190 -10.760 1.00 8.63 O ATOM 1153 CB GLU A 75 12.958 -6.332 -7.378 1.00 9.25 C ATOM 1154 CG GLU A 75 14.460 -6.435 -7.670 1.00 10.11 C ATOM 1155 CD GLU A 75 15.263 -6.629 -6.388 1.00 11.14 C ATOM 1156 OE1 GLU A 75 15.359 -5.644 -5.625 1.00 11.86 O ATOM 1157 OE2 GLU A 75 15.765 -7.757 -6.194 1.00 11.51 O ATOM 1158 OXT GLU A 75 11.260 -8.201 -9.134 1.00 7.95 O ATOM 0 H GLU A 75 10.274 -6.737 -8.142 1.00 6.90 H new ATOM 0 HA GLU A 75 12.648 -5.214 -9.113 1.00 8.22 H new ATOM 0 HB2 GLU A 75 12.786 -5.539 -6.651 1.00 9.25 H new ATOM 0 HB3 GLU A 75 12.615 -7.261 -6.923 1.00 9.25 H new ATOM 0 HG2 GLU A 75 14.644 -7.269 -8.347 1.00 10.11 H new ATOM 0 HG3 GLU A 75 14.796 -5.532 -8.179 1.00 10.11 H new TER 1165 GLU A 75