USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=26 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 15 CYS SG : rot 180:sc= 0.0721 USER MOD Set 1.2: A 17 SER OG : rot -85:sc= 0.942 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.499 USER MOD Set 2.2: A 18 CYS SG : rot 151:sc= 0.433 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00769) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.947 (180deg=-2.5!) USER MOD Single : A 13 MET CE :methyl -142:sc= -0.12 (180deg=-0.774) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.167 F(o=-0.95,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 1.33 (180deg=1.08) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -90:sc= -0.0654 USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.978 X(o=-0.98,f=-1.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 0:sc= -1.09 USER MOD Single : A 36 SER OG : rot 75:sc= 0.735 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.912 USER MOD Single : A 42 ASN : amide:sc= 1.98 K(o=2,f=-0.0047) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.05) USER MOD Single : A 45 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -0.277 (180deg=-1.47) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.608 K(o=0.61,f=-2.9!) USER MOD Single : A 61 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 146:sc= 1.45 USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= 2.26 (180deg=0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.078 7.537 -12.782 1.00 6.96 N ATOM 2 CA MET A 1 8.395 7.031 -13.981 1.00 5.93 C ATOM 3 C MET A 1 9.034 5.692 -14.325 1.00 5.40 C ATOM 4 O MET A 1 10.000 5.328 -13.655 1.00 6.37 O ATOM 5 CB MET A 1 8.500 8.024 -15.151 1.00 6.29 C ATOM 6 CG MET A 1 9.947 8.369 -15.541 1.00 7.65 C ATOM 7 SD MET A 1 10.142 9.217 -17.129 1.00 8.23 S ATOM 8 CE MET A 1 9.216 10.737 -16.828 1.00 9.00 C ATOM 0 H1 MET A 1 8.446 7.451 -11.960 1.00 6.96 H new ATOM 0 H2 MET A 1 9.941 6.982 -12.614 1.00 6.96 H new ATOM 0 H3 MET A 1 9.330 8.536 -12.922 1.00 6.96 H new ATOM 0 HA MET A 1 7.329 6.907 -13.790 1.00 5.93 H new ATOM 0 HB2 MET A 1 7.989 7.605 -16.018 1.00 6.29 H new ATOM 0 HB3 MET A 1 7.976 8.942 -14.885 1.00 6.29 H new ATOM 0 HG2 MET A 1 10.377 8.995 -14.759 1.00 7.65 H new ATOM 0 HG3 MET A 1 10.528 7.447 -15.567 1.00 7.65 H new ATOM 0 HE1 MET A 1 9.275 11.379 -17.707 1.00 9.00 H new ATOM 0 HE2 MET A 1 8.173 10.494 -16.626 1.00 9.00 H new ATOM 0 HE3 MET A 1 9.640 11.257 -15.969 1.00 9.00 H new ATOM 20 N GLY A 2 8.530 4.968 -15.330 1.00 4.70 N ATOM 21 CA GLY A 2 8.929 3.585 -15.577 1.00 5.10 C ATOM 22 C GLY A 2 8.254 2.708 -14.526 1.00 4.74 C ATOM 23 O GLY A 2 7.386 1.897 -14.843 1.00 4.81 O ATOM 0 H GLY A 2 7.838 5.325 -15.989 1.00 4.70 H new ATOM 0 HA2 GLY A 2 8.633 3.276 -16.579 1.00 5.10 H new ATOM 0 HA3 GLY A 2 10.013 3.484 -15.519 1.00 5.10 H new ATOM 27 N ASP A 3 8.591 2.968 -13.261 1.00 5.22 N ATOM 28 CA ASP A 3 7.702 2.731 -12.136 1.00 4.73 C ATOM 29 C ASP A 3 6.414 3.545 -12.310 1.00 2.41 C ATOM 30 O ASP A 3 6.234 4.263 -13.296 1.00 2.80 O ATOM 31 CB ASP A 3 8.424 3.120 -10.845 1.00 6.60 C ATOM 32 CG ASP A 3 9.652 2.259 -10.595 1.00 8.67 C ATOM 33 OD1 ASP A 3 9.458 1.062 -10.296 1.00 9.24 O ATOM 34 OD2 ASP A 3 10.762 2.823 -10.715 1.00 10.01 O ATOM 0 H ASP A 3 9.497 3.352 -12.993 1.00 5.22 H new ATOM 0 HA ASP A 3 7.431 1.676 -12.088 1.00 4.73 H new ATOM 0 HB2 ASP A 3 8.721 4.167 -10.898 1.00 6.60 H new ATOM 0 HB3 ASP A 3 7.738 3.025 -10.004 1.00 6.60 H new ATOM 39 N GLY A 4 5.502 3.428 -11.348 1.00 1.37 N ATOM 40 CA GLY A 4 4.100 3.754 -11.539 1.00 1.48 C ATOM 41 C GLY A 4 3.236 2.805 -10.712 1.00 1.36 C ATOM 42 O GLY A 4 2.259 3.235 -10.106 1.00 1.77 O ATOM 0 H GLY A 4 5.722 3.101 -10.407 1.00 1.37 H new ATOM 0 HA2 GLY A 4 3.912 4.786 -11.241 1.00 1.48 H new ATOM 0 HA3 GLY A 4 3.838 3.674 -12.594 1.00 1.48 H new ATOM 46 N VAL A 5 3.595 1.515 -10.690 1.00 1.05 N ATOM 47 CA VAL A 5 2.906 0.463 -9.946 1.00 0.93 C ATOM 48 C VAL A 5 3.755 0.026 -8.750 1.00 0.98 C ATOM 49 O VAL A 5 4.982 0.044 -8.830 1.00 1.36 O ATOM 50 CB VAL A 5 2.574 -0.726 -10.868 1.00 0.88 C ATOM 51 CG1 VAL A 5 1.565 -0.310 -11.945 1.00 2.56 C ATOM 52 CG2 VAL A 5 3.812 -1.336 -11.542 1.00 2.07 C ATOM 0 H VAL A 5 4.401 1.167 -11.209 1.00 1.05 H new ATOM 0 HA VAL A 5 1.963 0.855 -9.567 1.00 0.93 H new ATOM 0 HB VAL A 5 2.143 -1.492 -10.224 1.00 0.88 H new ATOM 0 HG11 VAL A 5 1.344 -1.164 -12.586 1.00 2.56 H new ATOM 0 HG12 VAL A 5 0.647 0.034 -11.470 1.00 2.56 H new ATOM 0 HG13 VAL A 5 1.986 0.495 -12.547 1.00 2.56 H new ATOM 0 HG21 VAL A 5 3.508 -2.168 -12.177 1.00 2.07 H new ATOM 0 HG22 VAL A 5 4.306 -0.578 -12.149 1.00 2.07 H new ATOM 0 HG23 VAL A 5 4.502 -1.696 -10.779 1.00 2.07 H new ATOM 62 N LEU A 6 3.112 -0.371 -7.649 1.00 0.84 N ATOM 63 CA LEU A 6 3.756 -0.897 -6.455 1.00 0.85 C ATOM 64 C LEU A 6 2.856 -1.964 -5.848 1.00 0.63 C ATOM 65 O LEU A 6 1.860 -1.662 -5.190 1.00 0.74 O ATOM 66 CB LEU A 6 4.062 0.236 -5.470 1.00 1.07 C ATOM 67 CG LEU A 6 4.951 -0.175 -4.283 1.00 1.27 C ATOM 68 CD1 LEU A 6 5.511 1.087 -3.625 1.00 2.98 C ATOM 69 CD2 LEU A 6 4.206 -0.979 -3.212 1.00 2.65 C ATOM 0 H LEU A 6 2.096 -0.332 -7.567 1.00 0.84 H new ATOM 0 HA LEU A 6 4.712 -1.355 -6.708 1.00 0.85 H new ATOM 0 HB2 LEU A 6 4.550 1.048 -6.009 1.00 1.07 H new ATOM 0 HB3 LEU A 6 3.121 0.630 -5.084 1.00 1.07 H new ATOM 0 HG LEU A 6 5.737 -0.814 -4.686 1.00 1.27 H new ATOM 0 HD11 LEU A 6 6.143 0.808 -2.782 1.00 2.98 H new ATOM 0 HD12 LEU A 6 6.101 1.645 -4.352 1.00 2.98 H new ATOM 0 HD13 LEU A 6 4.688 1.709 -3.272 1.00 2.98 H new ATOM 0 HD21 LEU A 6 4.893 -1.235 -2.406 1.00 2.65 H new ATOM 0 HD22 LEU A 6 3.386 -0.382 -2.814 1.00 2.65 H new ATOM 0 HD23 LEU A 6 3.809 -1.893 -3.654 1.00 2.65 H new ATOM 81 N GLU A 7 3.247 -3.218 -6.061 1.00 0.57 N ATOM 82 CA GLU A 7 2.558 -4.375 -5.538 1.00 0.55 C ATOM 83 C GLU A 7 3.257 -4.815 -4.256 1.00 0.55 C ATOM 84 O GLU A 7 4.423 -5.210 -4.312 1.00 0.72 O ATOM 85 CB GLU A 7 2.599 -5.488 -6.594 1.00 0.83 C ATOM 86 CG GLU A 7 1.238 -6.176 -6.664 1.00 0.95 C ATOM 87 CD GLU A 7 0.224 -5.388 -7.471 1.00 0.90 C ATOM 88 OE1 GLU A 7 0.520 -4.221 -7.790 1.00 2.22 O ATOM 89 OE2 GLU A 7 -0.825 -6.000 -7.785 1.00 1.64 O ATOM 0 H GLU A 7 4.070 -3.454 -6.615 1.00 0.57 H new ATOM 0 HA GLU A 7 1.517 -4.145 -5.311 1.00 0.55 H new ATOM 0 HB2 GLU A 7 2.858 -5.071 -7.567 1.00 0.83 H new ATOM 0 HB3 GLU A 7 3.372 -6.214 -6.343 1.00 0.83 H new ATOM 0 HG2 GLU A 7 1.358 -7.165 -7.106 1.00 0.95 H new ATOM 0 HG3 GLU A 7 0.857 -6.322 -5.653 1.00 0.95 H new ATOM 96 N LEU A 8 2.568 -4.788 -3.113 1.00 0.50 N ATOM 97 CA LEU A 8 3.091 -5.404 -1.900 1.00 0.56 C ATOM 98 C LEU A 8 2.043 -6.308 -1.254 1.00 0.44 C ATOM 99 O LEU A 8 0.855 -6.000 -1.288 1.00 0.44 O ATOM 100 CB LEU A 8 3.753 -4.369 -0.968 1.00 0.77 C ATOM 101 CG LEU A 8 2.955 -3.133 -0.530 1.00 0.76 C ATOM 102 CD1 LEU A 8 1.806 -3.485 0.410 1.00 1.94 C ATOM 103 CD2 LEU A 8 3.897 -2.192 0.234 1.00 1.65 C ATOM 0 H LEU A 8 1.654 -4.349 -3.006 1.00 0.50 H new ATOM 0 HA LEU A 8 3.911 -6.073 -2.160 1.00 0.56 H new ATOM 0 HB2 LEU A 8 4.065 -4.894 -0.065 1.00 0.77 H new ATOM 0 HB3 LEU A 8 4.659 -4.016 -1.461 1.00 0.77 H new ATOM 0 HG LEU A 8 2.542 -2.674 -1.429 1.00 0.76 H new ATOM 0 HD11 LEU A 8 1.274 -2.576 0.690 1.00 1.94 H new ATOM 0 HD12 LEU A 8 1.120 -4.167 -0.093 1.00 1.94 H new ATOM 0 HD13 LEU A 8 2.202 -3.964 1.305 1.00 1.94 H new ATOM 0 HD21 LEU A 8 3.347 -1.307 0.553 1.00 1.65 H new ATOM 0 HD22 LEU A 8 4.295 -2.707 1.108 1.00 1.65 H new ATOM 0 HD23 LEU A 8 4.719 -1.893 -0.417 1.00 1.65 H new ATOM 115 N VAL A 9 2.465 -7.447 -0.702 1.00 0.46 N ATOM 116 CA VAL A 9 1.614 -8.253 0.166 1.00 0.44 C ATOM 117 C VAL A 9 1.614 -7.583 1.541 1.00 0.43 C ATOM 118 O VAL A 9 2.676 -7.178 2.011 1.00 0.54 O ATOM 119 CB VAL A 9 2.117 -9.706 0.210 1.00 0.53 C ATOM 120 CG1 VAL A 9 1.446 -10.531 1.316 1.00 1.92 C ATOM 121 CG2 VAL A 9 1.851 -10.388 -1.137 1.00 1.69 C ATOM 0 H VAL A 9 3.399 -7.832 -0.844 1.00 0.46 H new ATOM 0 HA VAL A 9 0.591 -8.305 -0.207 1.00 0.44 H new ATOM 0 HB VAL A 9 3.185 -9.663 0.422 1.00 0.53 H new ATOM 0 HG11 VAL A 9 1.839 -11.548 1.301 1.00 1.92 H new ATOM 0 HG12 VAL A 9 1.653 -10.077 2.285 1.00 1.92 H new ATOM 0 HG13 VAL A 9 0.369 -10.556 1.149 1.00 1.92 H new ATOM 0 HG21 VAL A 9 2.209 -11.417 -1.101 1.00 1.69 H new ATOM 0 HG22 VAL A 9 0.780 -10.383 -1.342 1.00 1.69 H new ATOM 0 HG23 VAL A 9 2.374 -9.849 -1.927 1.00 1.69 H new ATOM 131 N VAL A 10 0.442 -7.444 2.166 1.00 0.45 N ATOM 132 CA VAL A 10 0.267 -6.848 3.485 1.00 0.45 C ATOM 133 C VAL A 10 -0.156 -7.957 4.442 1.00 0.51 C ATOM 134 O VAL A 10 -1.189 -8.600 4.246 1.00 0.90 O ATOM 135 CB VAL A 10 -0.793 -5.743 3.440 1.00 0.58 C ATOM 136 CG1 VAL A 10 -0.953 -5.114 4.828 1.00 1.78 C ATOM 137 CG2 VAL A 10 -0.391 -4.624 2.480 1.00 1.50 C ATOM 0 H VAL A 10 -0.437 -7.754 1.751 1.00 0.45 H new ATOM 0 HA VAL A 10 1.199 -6.393 3.821 1.00 0.45 H new ATOM 0 HB VAL A 10 -1.722 -6.203 3.105 1.00 0.58 H new ATOM 0 HG11 VAL A 10 -1.708 -4.329 4.787 1.00 1.78 H new ATOM 0 HG12 VAL A 10 -1.262 -5.879 5.541 1.00 1.78 H new ATOM 0 HG13 VAL A 10 -0.002 -4.686 5.145 1.00 1.78 H new ATOM 0 HG21 VAL A 10 -1.165 -3.856 2.472 1.00 1.50 H new ATOM 0 HG22 VAL A 10 0.552 -4.186 2.807 1.00 1.50 H new ATOM 0 HG23 VAL A 10 -0.273 -5.031 1.476 1.00 1.50 H new ATOM 147 N ARG A 11 0.645 -8.191 5.478 1.00 0.57 N ATOM 148 CA ARG A 11 0.566 -9.393 6.285 1.00 0.93 C ATOM 149 C ARG A 11 -0.454 -9.215 7.413 1.00 0.97 C ATOM 150 O ARG A 11 -0.110 -9.261 8.591 1.00 1.91 O ATOM 151 CB ARG A 11 1.962 -9.700 6.830 1.00 1.29 C ATOM 152 CG ARG A 11 3.053 -9.757 5.746 1.00 1.72 C ATOM 153 CD ARG A 11 4.405 -9.730 6.456 1.00 2.43 C ATOM 154 NE ARG A 11 5.545 -9.667 5.527 1.00 3.67 N ATOM 155 CZ ARG A 11 6.819 -9.466 5.907 1.00 4.68 C ATOM 156 NH1 ARG A 11 7.147 -9.388 7.199 1.00 4.91 N ATOM 157 NH2 ARG A 11 7.760 -9.350 4.970 1.00 5.92 N ATOM 0 H ARG A 11 1.372 -7.542 5.779 1.00 0.57 H new ATOM 0 HA ARG A 11 0.226 -10.233 5.680 1.00 0.93 H new ATOM 0 HB2 ARG A 11 2.231 -8.940 7.563 1.00 1.29 H new ATOM 0 HB3 ARG A 11 1.935 -10.654 7.356 1.00 1.29 H new ATOM 0 HG2 ARG A 11 2.952 -10.662 5.147 1.00 1.72 H new ATOM 0 HG3 ARG A 11 2.961 -8.912 5.064 1.00 1.72 H new ATOM 0 HD2 ARG A 11 4.441 -8.869 7.124 1.00 2.43 H new ATOM 0 HD3 ARG A 11 4.500 -10.620 7.078 1.00 2.43 H new ATOM 0 HE ARG A 11 5.356 -9.783 4.531 1.00 3.67 H new ATOM 0 HH11 ARG A 11 6.426 -9.481 7.915 1.00 4.91 H new ATOM 0 HH12 ARG A 11 8.118 -9.235 7.470 1.00 4.91 H new ATOM 0 HH21 ARG A 11 7.508 -9.414 3.984 1.00 5.92 H new ATOM 0 HH22 ARG A 11 8.732 -9.197 5.239 1.00 5.92 H new ATOM 171 N GLY A 12 -1.720 -9.014 7.050 1.00 1.21 N ATOM 172 CA GLY A 12 -2.803 -8.951 8.020 1.00 1.59 C ATOM 173 C GLY A 12 -4.113 -8.580 7.340 1.00 1.93 C ATOM 174 O GLY A 12 -4.703 -9.407 6.652 1.00 3.57 O ATOM 0 H GLY A 12 -2.018 -8.892 6.082 1.00 1.21 H new ATOM 0 HA2 GLY A 12 -2.907 -9.914 8.520 1.00 1.59 H new ATOM 0 HA3 GLY A 12 -2.566 -8.216 8.790 1.00 1.59 H new ATOM 178 N MET A 13 -4.550 -7.330 7.513 1.00 0.83 N ATOM 179 CA MET A 13 -5.763 -6.790 6.910 1.00 0.91 C ATOM 180 C MET A 13 -7.002 -7.602 7.296 1.00 1.04 C ATOM 181 O MET A 13 -7.655 -8.226 6.465 1.00 2.16 O ATOM 182 CB MET A 13 -5.607 -6.626 5.398 1.00 1.22 C ATOM 183 CG MET A 13 -4.282 -5.938 5.066 1.00 0.81 C ATOM 184 SD MET A 13 -4.261 -5.112 3.468 1.00 1.47 S ATOM 185 CE MET A 13 -4.680 -6.495 2.411 1.00 1.31 C ATOM 0 H MET A 13 -4.055 -6.651 8.092 1.00 0.83 H new ATOM 0 HA MET A 13 -5.920 -5.791 7.317 1.00 0.91 H new ATOM 0 HB2 MET A 13 -5.647 -7.602 4.915 1.00 1.22 H new ATOM 0 HB3 MET A 13 -6.437 -6.040 5.003 1.00 1.22 H new ATOM 0 HG2 MET A 13 -4.060 -5.207 5.843 1.00 0.81 H new ATOM 0 HG3 MET A 13 -3.484 -6.680 5.089 1.00 0.81 H new ATOM 0 HE1 MET A 13 -4.109 -6.431 1.485 1.00 1.31 H new ATOM 0 HE2 MET A 13 -4.441 -7.428 2.921 1.00 1.31 H new ATOM 0 HE3 MET A 13 -5.746 -6.469 2.183 1.00 1.31 H new ATOM 195 N THR A 14 -7.332 -7.571 8.583 1.00 0.93 N ATOM 196 CA THR A 14 -8.312 -8.442 9.207 1.00 1.40 C ATOM 197 C THR A 14 -9.751 -8.225 8.722 1.00 1.32 C ATOM 198 O THR A 14 -10.583 -9.112 8.893 1.00 2.34 O ATOM 199 CB THR A 14 -8.200 -8.210 10.721 1.00 1.88 C ATOM 200 OG1 THR A 14 -8.065 -6.819 10.970 1.00 3.81 O ATOM 201 CG2 THR A 14 -6.953 -8.904 11.279 1.00 1.95 C ATOM 0 H THR A 14 -6.908 -6.915 9.239 1.00 0.93 H new ATOM 0 HA THR A 14 -8.092 -9.473 8.930 1.00 1.40 H new ATOM 0 HB THR A 14 -9.094 -8.612 11.198 1.00 1.88 H new ATOM 0 HG1 THR A 14 -7.995 -6.665 11.935 1.00 3.81 H new ATOM 0 HG21 THR A 14 -6.889 -8.729 12.353 1.00 1.95 H new ATOM 0 HG22 THR A 14 -7.017 -9.975 11.089 1.00 1.95 H new ATOM 0 HG23 THR A 14 -6.064 -8.502 10.793 1.00 1.95 H new ATOM 209 N CYS A 15 -10.083 -7.039 8.201 1.00 1.08 N ATOM 210 CA CYS A 15 -11.469 -6.624 8.008 1.00 1.04 C ATOM 211 C CYS A 15 -11.502 -5.389 7.104 1.00 0.86 C ATOM 212 O CYS A 15 -10.512 -4.658 7.049 1.00 1.09 O ATOM 213 CB CYS A 15 -12.076 -6.344 9.394 1.00 1.34 C ATOM 214 SG CYS A 15 -13.705 -5.566 9.285 1.00 2.21 S ATOM 0 H CYS A 15 -9.398 -6.344 7.903 1.00 1.08 H new ATOM 0 HA CYS A 15 -12.058 -7.401 7.520 1.00 1.04 H new ATOM 0 HB2 CYS A 15 -12.159 -7.279 9.948 1.00 1.34 H new ATOM 0 HB3 CYS A 15 -11.404 -5.698 9.959 1.00 1.34 H new ATOM 0 HG CYS A 15 -14.167 -5.356 10.482 1.00 2.21 H new ATOM 220 N ALA A 16 -12.629 -5.163 6.414 1.00 0.76 N ATOM 221 CA ALA A 16 -12.961 -3.991 5.603 1.00 0.66 C ATOM 222 C ALA A 16 -12.393 -2.682 6.167 1.00 0.65 C ATOM 223 O ALA A 16 -11.920 -1.834 5.422 1.00 1.12 O ATOM 224 CB ALA A 16 -14.484 -3.893 5.483 1.00 0.77 C ATOM 0 H ALA A 16 -13.386 -5.847 6.410 1.00 0.76 H new ATOM 0 HA ALA A 16 -12.500 -4.126 4.625 1.00 0.66 H new ATOM 0 HB1 ALA A 16 -14.746 -3.023 4.881 1.00 0.77 H new ATOM 0 HB2 ALA A 16 -14.870 -4.794 5.007 1.00 0.77 H new ATOM 0 HB3 ALA A 16 -14.921 -3.792 6.476 1.00 0.77 H new ATOM 230 N SER A 17 -12.436 -2.528 7.488 1.00 0.56 N ATOM 231 CA SER A 17 -11.753 -1.468 8.221 1.00 0.51 C ATOM 232 C SER A 17 -10.250 -1.390 7.892 1.00 0.47 C ATOM 233 O SER A 17 -9.795 -0.495 7.187 1.00 0.69 O ATOM 234 CB SER A 17 -11.970 -1.744 9.708 1.00 0.69 C ATOM 235 OG SER A 17 -11.541 -3.063 10.021 1.00 0.81 O ATOM 0 H SER A 17 -12.963 -3.156 8.095 1.00 0.56 H new ATOM 0 HA SER A 17 -12.165 -0.501 7.931 1.00 0.51 H new ATOM 0 HB2 SER A 17 -11.416 -1.020 10.306 1.00 0.69 H new ATOM 0 HB3 SER A 17 -13.024 -1.625 9.959 1.00 0.69 H new ATOM 0 HG SER A 17 -12.264 -3.696 9.829 1.00 0.81 H new ATOM 241 N CYS A 18 -9.462 -2.319 8.440 1.00 0.61 N ATOM 242 CA CYS A 18 -8.029 -2.453 8.242 1.00 0.65 C ATOM 243 C CYS A 18 -7.668 -2.358 6.767 1.00 0.73 C ATOM 244 O CYS A 18 -6.687 -1.710 6.418 1.00 0.88 O ATOM 245 CB CYS A 18 -7.543 -3.779 8.834 1.00 0.90 C ATOM 246 SG CYS A 18 -7.459 -3.654 10.636 1.00 1.39 S ATOM 0 H CYS A 18 -9.834 -3.033 9.066 1.00 0.61 H new ATOM 0 HA CYS A 18 -7.531 -1.632 8.757 1.00 0.65 H new ATOM 0 HB2 CYS A 18 -8.219 -4.585 8.548 1.00 0.90 H new ATOM 0 HB3 CYS A 18 -6.561 -4.029 8.432 1.00 0.90 H new ATOM 0 HG CYS A 18 -7.651 -4.827 11.162 1.00 1.39 H new ATOM 252 N VAL A 19 -8.480 -2.987 5.915 1.00 0.75 N ATOM 253 CA VAL A 19 -8.434 -2.814 4.473 1.00 0.80 C ATOM 254 C VAL A 19 -8.485 -1.324 4.122 1.00 0.78 C ATOM 255 O VAL A 19 -7.471 -0.745 3.728 1.00 0.86 O ATOM 256 CB VAL A 19 -9.572 -3.645 3.854 1.00 0.84 C ATOM 257 CG1 VAL A 19 -9.981 -3.279 2.423 1.00 0.92 C ATOM 258 CG2 VAL A 19 -9.197 -5.125 3.897 1.00 1.00 C ATOM 0 H VAL A 19 -9.200 -3.642 6.220 1.00 0.75 H new ATOM 0 HA VAL A 19 -7.497 -3.180 4.053 1.00 0.80 H new ATOM 0 HB VAL A 19 -10.444 -3.414 4.465 1.00 0.84 H new ATOM 0 HG11 VAL A 19 -10.790 -3.933 2.097 1.00 0.92 H new ATOM 0 HG12 VAL A 19 -10.318 -2.243 2.395 1.00 0.92 H new ATOM 0 HG13 VAL A 19 -9.126 -3.401 1.758 1.00 0.92 H new ATOM 0 HG21 VAL A 19 -10.001 -5.717 3.459 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -8.279 -5.284 3.331 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -9.043 -5.431 4.932 1.00 1.00 H new ATOM 268 N HIS A 20 -9.651 -0.686 4.266 1.00 0.71 N ATOM 269 CA HIS A 20 -9.849 0.643 3.715 1.00 0.73 C ATOM 270 C HIS A 20 -8.985 1.704 4.424 1.00 0.62 C ATOM 271 O HIS A 20 -8.809 2.816 3.935 1.00 0.63 O ATOM 272 CB HIS A 20 -11.335 0.993 3.502 1.00 0.80 C ATOM 273 CG HIS A 20 -12.161 1.409 4.688 1.00 0.79 C ATOM 274 ND1 HIS A 20 -11.703 1.685 5.941 1.00 1.30 N flip ATOM 275 CD2 HIS A 20 -13.460 1.855 4.626 1.00 0.62 C flip ATOM 276 CE1 HIS A 20 -12.727 2.283 6.673 1.00 1.07 C flip ATOM 277 NE2 HIS A 20 -13.766 2.370 5.829 1.00 0.72 N flip ATOM 0 H HIS A 20 -10.459 -1.070 4.755 1.00 0.71 H new ATOM 0 HA HIS A 20 -9.461 0.642 2.696 1.00 0.73 H new ATOM 0 HB2 HIS A 20 -11.382 1.798 2.769 1.00 0.80 H new ATOM 0 HB3 HIS A 20 -11.817 0.125 3.053 1.00 0.80 H new ATOM 0 HD2 HIS A 20 -14.114 1.801 3.768 1.00 0.62 H new ATOM 0 HE1 HIS A 20 -12.692 2.608 7.702 1.00 1.07 H new ATOM 0 HE2 HIS A 20 -14.671 2.775 6.069 1.00 0.72 H new ATOM 285 N LYS A 21 -8.429 1.369 5.596 1.00 0.60 N ATOM 286 CA LYS A 21 -7.541 2.255 6.323 1.00 0.51 C ATOM 287 C LYS A 21 -6.332 2.561 5.440 1.00 0.44 C ATOM 288 O LYS A 21 -5.875 3.701 5.395 1.00 0.43 O ATOM 289 CB LYS A 21 -7.132 1.607 7.660 1.00 0.61 C ATOM 290 CG LYS A 21 -6.142 2.480 8.450 1.00 0.67 C ATOM 291 CD LYS A 21 -5.888 1.989 9.886 1.00 1.86 C ATOM 292 CE LYS A 21 -5.370 0.543 9.924 1.00 3.33 C ATOM 293 NZ LYS A 21 -4.907 0.121 11.265 1.00 4.52 N ATOM 0 H LYS A 21 -8.589 0.474 6.058 1.00 0.60 H new ATOM 0 HA LYS A 21 -8.042 3.193 6.562 1.00 0.51 H new ATOM 0 HB2 LYS A 21 -8.022 1.432 8.264 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -6.681 0.633 7.467 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -5.193 2.512 7.914 1.00 0.67 H new ATOM 0 HG3 LYS A 21 -6.522 3.501 8.487 1.00 0.67 H new ATOM 0 HD2 LYS A 21 -5.164 2.645 10.369 1.00 1.86 H new ATOM 0 HD3 LYS A 21 -6.812 2.057 10.460 1.00 1.86 H new ATOM 0 HE2 LYS A 21 -6.163 -0.128 9.593 1.00 3.33 H new ATOM 0 HE3 LYS A 21 -4.549 0.440 9.215 1.00 3.33 H new ATOM 0 HZ1 LYS A 21 -4.812 -0.914 11.290 1.00 4.52 H new ATOM 0 HZ2 LYS A 21 -3.985 0.558 11.467 1.00 4.52 H new ATOM 0 HZ3 LYS A 21 -5.598 0.422 11.982 1.00 4.52 H new ATOM 307 N ILE A 22 -5.808 1.539 4.757 1.00 0.46 N ATOM 308 CA ILE A 22 -4.599 1.659 3.960 1.00 0.45 C ATOM 309 C ILE A 22 -4.849 2.666 2.839 1.00 0.45 C ATOM 310 O ILE A 22 -4.246 3.736 2.827 1.00 0.41 O ATOM 311 CB ILE A 22 -4.165 0.273 3.450 1.00 0.46 C ATOM 312 CG1 ILE A 22 -3.833 -0.628 4.653 1.00 0.44 C ATOM 313 CG2 ILE A 22 -2.959 0.390 2.507 1.00 0.48 C ATOM 314 CD1 ILE A 22 -3.795 -2.106 4.307 1.00 0.50 C ATOM 0 H ILE A 22 -6.217 0.605 4.746 1.00 0.46 H new ATOM 0 HA ILE A 22 -3.770 2.035 4.560 1.00 0.45 H new ATOM 0 HB ILE A 22 -4.983 -0.172 2.883 1.00 0.46 H new ATOM 0 HG12 ILE A 22 -2.867 -0.333 5.062 1.00 0.44 H new ATOM 0 HG13 ILE A 22 -4.574 -0.465 5.435 1.00 0.44 H new ATOM 0 HG21 ILE A 22 -2.671 -0.602 2.160 1.00 0.48 H new ATOM 0 HG22 ILE A 22 -3.225 1.011 1.651 1.00 0.48 H new ATOM 0 HG23 ILE A 22 -2.124 0.845 3.039 1.00 0.48 H new ATOM 0 HD11 ILE A 22 -3.556 -2.683 5.200 1.00 0.50 H new ATOM 0 HD12 ILE A 22 -4.768 -2.415 3.925 1.00 0.50 H new ATOM 0 HD13 ILE A 22 -3.034 -2.282 3.547 1.00 0.50 H new ATOM 326 N GLU A 23 -5.753 2.329 1.919 1.00 0.53 N ATOM 327 CA GLU A 23 -6.180 3.203 0.835 1.00 0.49 C ATOM 328 C GLU A 23 -6.509 4.615 1.325 1.00 0.46 C ATOM 329 O GLU A 23 -5.804 5.559 0.965 1.00 0.49 O ATOM 330 CB GLU A 23 -7.329 2.565 0.037 1.00 0.61 C ATOM 331 CG GLU A 23 -8.389 1.826 0.846 1.00 1.40 C ATOM 332 CD GLU A 23 -9.752 2.495 0.746 1.00 2.55 C ATOM 333 OE1 GLU A 23 -9.838 3.636 1.244 1.00 3.82 O ATOM 334 OE2 GLU A 23 -10.668 1.854 0.192 1.00 2.97 O ATOM 0 H GLU A 23 -6.217 1.421 1.910 1.00 0.53 H new ATOM 0 HA GLU A 23 -5.340 3.319 0.150 1.00 0.49 H new ATOM 0 HB2 GLU A 23 -7.823 3.349 -0.537 1.00 0.61 H new ATOM 0 HB3 GLU A 23 -6.899 1.867 -0.681 1.00 0.61 H new ATOM 0 HG2 GLU A 23 -8.463 0.798 0.492 1.00 1.40 H new ATOM 0 HG3 GLU A 23 -8.082 1.782 1.891 1.00 1.40 H new ATOM 341 N SER A 24 -7.559 4.766 2.136 1.00 0.55 N ATOM 342 CA SER A 24 -7.991 6.052 2.663 1.00 0.65 C ATOM 343 C SER A 24 -6.807 6.841 3.228 1.00 0.67 C ATOM 344 O SER A 24 -6.677 8.031 2.942 1.00 0.86 O ATOM 345 CB SER A 24 -9.110 5.845 3.695 1.00 0.75 C ATOM 346 OG SER A 24 -9.672 7.083 4.097 1.00 1.10 O ATOM 0 H SER A 24 -8.137 3.985 2.446 1.00 0.55 H new ATOM 0 HA SER A 24 -8.400 6.654 1.851 1.00 0.65 H new ATOM 0 HB2 SER A 24 -9.888 5.211 3.270 1.00 0.75 H new ATOM 0 HB3 SER A 24 -8.713 5.323 4.566 1.00 0.75 H new ATOM 0 HG SER A 24 -10.382 6.922 4.753 1.00 1.10 H new ATOM 352 N SER A 25 -5.931 6.196 4.009 1.00 0.53 N ATOM 353 CA SER A 25 -4.731 6.854 4.499 1.00 0.56 C ATOM 354 C SER A 25 -3.842 7.301 3.348 1.00 0.66 C ATOM 355 O SER A 25 -3.593 8.495 3.210 1.00 0.96 O ATOM 356 CB SER A 25 -3.986 5.973 5.507 1.00 0.52 C ATOM 357 OG SER A 25 -2.901 6.691 6.069 1.00 0.93 O ATOM 0 H SER A 25 -6.036 5.227 4.309 1.00 0.53 H new ATOM 0 HA SER A 25 -5.032 7.755 5.034 1.00 0.56 H new ATOM 0 HB2 SER A 25 -4.667 5.652 6.295 1.00 0.52 H new ATOM 0 HB3 SER A 25 -3.620 5.072 5.015 1.00 0.52 H new ATOM 0 HG SER A 25 -2.098 6.550 5.525 1.00 0.93 H new ATOM 363 N LEU A 26 -3.327 6.381 2.530 1.00 0.49 N ATOM 364 CA LEU A 26 -2.334 6.763 1.537 1.00 0.59 C ATOM 365 C LEU A 26 -2.892 7.814 0.573 1.00 0.67 C ATOM 366 O LEU A 26 -2.165 8.693 0.121 1.00 0.78 O ATOM 367 CB LEU A 26 -1.775 5.565 0.763 1.00 0.61 C ATOM 368 CG LEU A 26 -1.157 4.444 1.609 1.00 0.62 C ATOM 369 CD1 LEU A 26 -0.804 3.274 0.690 1.00 1.74 C ATOM 370 CD2 LEU A 26 0.100 4.902 2.351 1.00 1.71 C ATOM 0 H LEU A 26 -3.576 5.392 2.537 1.00 0.49 H new ATOM 0 HA LEU A 26 -1.502 7.200 2.089 1.00 0.59 H new ATOM 0 HB2 LEU A 26 -2.579 5.139 0.163 1.00 0.61 H new ATOM 0 HB3 LEU A 26 -1.017 5.928 0.069 1.00 0.61 H new ATOM 0 HG LEU A 26 -1.888 4.146 2.360 1.00 0.62 H new ATOM 0 HD11 LEU A 26 -0.363 2.469 1.278 1.00 1.74 H new ATOM 0 HD12 LEU A 26 -1.707 2.912 0.199 1.00 1.74 H new ATOM 0 HD13 LEU A 26 -0.089 3.606 -0.063 1.00 1.74 H new ATOM 0 HD21 LEU A 26 0.500 4.073 2.935 1.00 1.71 H new ATOM 0 HD22 LEU A 26 0.848 5.232 1.630 1.00 1.71 H new ATOM 0 HD23 LEU A 26 -0.151 5.728 3.017 1.00 1.71 H new ATOM 382 N THR A 27 -4.194 7.786 0.293 1.00 0.70 N ATOM 383 CA THR A 27 -4.824 8.793 -0.550 1.00 0.88 C ATOM 384 C THR A 27 -4.563 10.229 -0.055 1.00 0.90 C ATOM 385 O THR A 27 -4.665 11.172 -0.842 1.00 1.41 O ATOM 386 CB THR A 27 -6.310 8.452 -0.742 1.00 0.98 C ATOM 387 OG1 THR A 27 -6.419 7.123 -1.219 1.00 1.35 O ATOM 388 CG2 THR A 27 -6.973 9.336 -1.801 1.00 1.78 C ATOM 0 H THR A 27 -4.833 7.072 0.641 1.00 0.70 H new ATOM 0 HA THR A 27 -4.360 8.769 -1.536 1.00 0.88 H new ATOM 0 HB THR A 27 -6.797 8.600 0.222 1.00 0.98 H new ATOM 0 HG1 THR A 27 -6.338 6.498 -0.468 1.00 1.35 H new ATOM 0 HG21 THR A 27 -8.022 9.058 -1.902 1.00 1.78 H new ATOM 0 HG22 THR A 27 -6.902 10.381 -1.499 1.00 1.78 H new ATOM 0 HG23 THR A 27 -6.468 9.199 -2.757 1.00 1.78 H new ATOM 396 N LYS A 28 -4.180 10.434 1.213 1.00 0.81 N ATOM 397 CA LYS A 28 -3.732 11.738 1.695 1.00 0.72 C ATOM 398 C LYS A 28 -2.517 12.267 0.921 1.00 0.78 C ATOM 399 O LYS A 28 -2.415 13.472 0.692 1.00 0.98 O ATOM 400 CB LYS A 28 -3.477 11.705 3.212 1.00 0.71 C ATOM 401 CG LYS A 28 -2.214 10.942 3.655 1.00 2.11 C ATOM 402 CD LYS A 28 -1.019 11.848 3.989 1.00 3.84 C ATOM 403 CE LYS A 28 -1.209 12.542 5.349 1.00 4.18 C ATOM 404 NZ LYS A 28 -0.039 13.360 5.731 1.00 6.00 N ATOM 0 H LYS A 28 -4.174 9.703 1.925 1.00 0.81 H new ATOM 0 HA LYS A 28 -4.540 12.445 1.507 1.00 0.72 H new ATOM 0 HB2 LYS A 28 -3.406 12.731 3.573 1.00 0.71 H new ATOM 0 HB3 LYS A 28 -4.342 11.255 3.699 1.00 0.71 H new ATOM 0 HG2 LYS A 28 -2.455 10.339 4.531 1.00 2.11 H new ATOM 0 HG3 LYS A 28 -1.923 10.252 2.863 1.00 2.11 H new ATOM 0 HD2 LYS A 28 -0.104 11.256 4.005 1.00 3.84 H new ATOM 0 HD3 LYS A 28 -0.899 12.599 3.208 1.00 3.84 H new ATOM 0 HE2 LYS A 28 -2.095 13.176 5.310 1.00 4.18 H new ATOM 0 HE3 LYS A 28 -1.389 11.789 6.116 1.00 4.18 H new ATOM 0 HZ1 LYS A 28 -0.214 13.807 6.653 1.00 6.00 H new ATOM 0 HZ2 LYS A 28 0.803 12.753 5.795 1.00 6.00 H new ATOM 0 HZ3 LYS A 28 0.119 14.096 5.014 1.00 6.00 H new ATOM 418 N HIS A 29 -1.577 11.391 0.548 1.00 0.79 N ATOM 419 CA HIS A 29 -0.369 11.786 -0.161 1.00 1.00 C ATOM 420 C HIS A 29 -0.726 12.293 -1.562 1.00 1.28 C ATOM 421 O HIS A 29 -1.820 12.034 -2.063 1.00 2.76 O ATOM 422 CB HIS A 29 0.600 10.602 -0.299 1.00 1.07 C ATOM 423 CG HIS A 29 0.929 9.828 0.957 1.00 0.93 C ATOM 424 ND1 HIS A 29 1.852 10.164 1.925 1.00 1.33 N ATOM 425 CD2 HIS A 29 0.588 8.522 1.178 1.00 1.00 C ATOM 426 CE1 HIS A 29 2.014 9.085 2.717 1.00 1.15 C ATOM 427 NE2 HIS A 29 1.252 8.067 2.311 1.00 0.90 N ATOM 0 H HIS A 29 -1.639 10.390 0.732 1.00 0.79 H new ATOM 0 HA HIS A 29 0.112 12.577 0.414 1.00 1.00 H new ATOM 0 HB2 HIS A 29 0.181 9.905 -1.025 1.00 1.07 H new ATOM 0 HB3 HIS A 29 1.533 10.977 -0.719 1.00 1.07 H new ATOM 0 HD1 HIS A 29 2.325 11.063 2.024 1.00 1.33 H new ATOM 0 HD2 HIS A 29 -0.088 7.939 0.570 1.00 1.00 H new ATOM 0 HE1 HIS A 29 2.675 9.049 3.570 1.00 1.15 H new ATOM 435 N ARG A 30 0.224 12.972 -2.215 1.00 1.10 N ATOM 436 CA ARG A 30 0.139 13.331 -3.628 1.00 1.10 C ATOM 437 C ARG A 30 1.393 12.856 -4.366 1.00 1.07 C ATOM 438 O ARG A 30 1.931 13.563 -5.212 1.00 1.61 O ATOM 439 CB ARG A 30 -0.076 14.847 -3.795 1.00 1.30 C ATOM 440 CG ARG A 30 -1.340 15.391 -3.113 1.00 1.80 C ATOM 441 CD ARG A 30 -2.633 14.819 -3.721 1.00 3.31 C ATOM 442 NE ARG A 30 -3.418 14.089 -2.712 1.00 4.64 N ATOM 443 CZ ARG A 30 -4.419 14.590 -1.973 1.00 5.83 C ATOM 444 NH1 ARG A 30 -4.721 15.891 -2.048 1.00 5.82 N ATOM 445 NH2 ARG A 30 -5.118 13.793 -1.164 1.00 7.47 N ATOM 0 H ARG A 30 1.084 13.290 -1.767 1.00 1.10 H new ATOM 0 HA ARG A 30 -0.723 12.831 -4.069 1.00 1.10 H new ATOM 0 HB2 ARG A 30 0.792 15.370 -3.394 1.00 1.30 H new ATOM 0 HB3 ARG A 30 -0.124 15.079 -4.859 1.00 1.30 H new ATOM 0 HG2 ARG A 30 -1.306 15.152 -2.050 1.00 1.80 H new ATOM 0 HG3 ARG A 30 -1.354 16.478 -3.195 1.00 1.80 H new ATOM 0 HD2 ARG A 30 -3.233 15.629 -4.136 1.00 3.31 H new ATOM 0 HD3 ARG A 30 -2.386 14.151 -4.546 1.00 3.31 H new ATOM 0 HE ARG A 30 -3.178 13.109 -2.560 1.00 4.64 H new ATOM 0 HH11 ARG A 30 -4.190 16.503 -2.668 1.00 5.82 H new ATOM 0 HH12 ARG A 30 -5.482 16.271 -1.486 1.00 5.82 H new ATOM 0 HH21 ARG A 30 -4.892 12.800 -1.106 1.00 7.47 H new ATOM 0 HH22 ARG A 30 -5.879 14.176 -0.603 1.00 7.47 H new ATOM 459 N GLY A 31 1.834 11.638 -4.045 1.00 0.75 N ATOM 460 CA GLY A 31 2.794 10.880 -4.842 1.00 0.79 C ATOM 461 C GLY A 31 2.382 9.408 -4.907 1.00 0.67 C ATOM 462 O GLY A 31 3.199 8.536 -5.204 1.00 1.13 O ATOM 0 H GLY A 31 1.527 11.144 -3.207 1.00 0.75 H new ATOM 0 HA2 GLY A 31 2.849 11.294 -5.849 1.00 0.79 H new ATOM 0 HA3 GLY A 31 3.789 10.968 -4.406 1.00 0.79 H new ATOM 466 N ILE A 32 1.105 9.148 -4.597 1.00 0.67 N ATOM 467 CA ILE A 32 0.434 7.891 -4.842 1.00 0.58 C ATOM 468 C ILE A 32 -0.662 8.224 -5.848 1.00 0.60 C ATOM 469 O ILE A 32 -1.161 9.350 -5.853 1.00 1.02 O ATOM 470 CB ILE A 32 -0.054 7.210 -3.548 1.00 0.61 C ATOM 471 CG1 ILE A 32 -1.330 7.797 -2.935 1.00 2.27 C ATOM 472 CG2 ILE A 32 1.073 7.166 -2.508 1.00 2.49 C ATOM 473 CD1 ILE A 32 -2.599 7.373 -3.687 1.00 3.62 C ATOM 0 H ILE A 32 0.501 9.840 -4.154 1.00 0.67 H new ATOM 0 HA ILE A 32 1.103 7.134 -5.251 1.00 0.58 H new ATOM 0 HB ILE A 32 -0.331 6.200 -3.850 1.00 0.61 H new ATOM 0 HG12 ILE A 32 -1.407 7.481 -1.895 1.00 2.27 H new ATOM 0 HG13 ILE A 32 -1.260 8.885 -2.933 1.00 2.27 H new ATOM 0 HG21 ILE A 32 0.712 6.682 -1.600 1.00 2.49 H new ATOM 0 HG22 ILE A 32 1.916 6.603 -2.909 1.00 2.49 H new ATOM 0 HG23 ILE A 32 1.393 8.182 -2.275 1.00 2.49 H new ATOM 0 HD11 ILE A 32 -3.471 7.818 -3.209 1.00 3.62 H new ATOM 0 HD12 ILE A 32 -2.540 7.712 -4.721 1.00 3.62 H new ATOM 0 HD13 ILE A 32 -2.689 6.287 -3.666 1.00 3.62 H new ATOM 485 N LEU A 33 -1.002 7.267 -6.705 1.00 0.56 N ATOM 486 CA LEU A 33 -1.942 7.431 -7.800 1.00 0.62 C ATOM 487 C LEU A 33 -3.202 6.609 -7.543 1.00 0.58 C ATOM 488 O LEU A 33 -4.290 7.015 -7.942 1.00 0.64 O ATOM 489 CB LEU A 33 -1.287 6.977 -9.111 1.00 0.82 C ATOM 490 CG LEU A 33 0.014 7.713 -9.469 1.00 0.97 C ATOM 491 CD1 LEU A 33 0.611 7.069 -10.725 1.00 1.76 C ATOM 492 CD2 LEU A 33 -0.233 9.205 -9.720 1.00 1.20 C ATOM 0 H LEU A 33 -0.615 6.325 -6.651 1.00 0.56 H new ATOM 0 HA LEU A 33 -2.218 8.483 -7.875 1.00 0.62 H new ATOM 0 HB2 LEU A 33 -1.078 5.909 -9.046 1.00 0.82 H new ATOM 0 HB3 LEU A 33 -2.001 7.113 -9.924 1.00 0.82 H new ATOM 0 HG LEU A 33 0.705 7.630 -8.630 1.00 0.97 H new ATOM 0 HD11 LEU A 33 1.536 7.581 -10.992 1.00 1.76 H new ATOM 0 HD12 LEU A 33 0.822 6.018 -10.530 1.00 1.76 H new ATOM 0 HD13 LEU A 33 -0.099 7.150 -11.548 1.00 1.76 H new ATOM 0 HD21 LEU A 33 0.709 9.693 -9.970 1.00 1.20 H new ATOM 0 HD22 LEU A 33 -0.934 9.324 -10.546 1.00 1.20 H new ATOM 0 HD23 LEU A 33 -0.650 9.661 -8.822 1.00 1.20 H new ATOM 504 N TYR A 34 -3.061 5.414 -6.957 1.00 0.60 N ATOM 505 CA TYR A 34 -4.187 4.545 -6.661 1.00 0.65 C ATOM 506 C TYR A 34 -3.782 3.582 -5.544 1.00 0.64 C ATOM 507 O TYR A 34 -2.584 3.414 -5.305 1.00 0.69 O ATOM 508 CB TYR A 34 -4.635 3.810 -7.934 1.00 0.82 C ATOM 509 CG TYR A 34 -6.041 3.268 -7.823 1.00 0.93 C ATOM 510 CD1 TYR A 34 -7.131 4.148 -7.956 1.00 2.32 C ATOM 511 CD2 TYR A 34 -6.246 1.981 -7.297 1.00 1.92 C ATOM 512 CE1 TYR A 34 -8.407 3.762 -7.512 1.00 2.58 C ATOM 513 CE2 TYR A 34 -7.486 1.657 -6.728 1.00 2.03 C ATOM 514 CZ TYR A 34 -8.580 2.526 -6.870 1.00 1.62 C ATOM 515 OH TYR A 34 -9.794 2.196 -6.348 1.00 2.05 O ATOM 0 H TYR A 34 -2.159 5.029 -6.678 1.00 0.60 H new ATOM 0 HA TYR A 34 -5.042 5.127 -6.316 1.00 0.65 H new ATOM 0 HB2 TYR A 34 -4.577 4.491 -8.783 1.00 0.82 H new ATOM 0 HB3 TYR A 34 -3.947 2.989 -8.137 1.00 0.82 H new ATOM 0 HD1 TYR A 34 -6.987 5.122 -8.400 1.00 2.32 H new ATOM 0 HD2 TYR A 34 -5.454 1.247 -7.331 1.00 1.92 H new ATOM 0 HE1 TYR A 34 -9.253 4.415 -7.665 1.00 2.58 H new ATOM 0 HE2 TYR A 34 -7.600 0.735 -6.178 1.00 2.03 H new ATOM 0 HH TYR A 34 -9.744 1.307 -5.940 1.00 2.05 H new ATOM 525 N CYS A 35 -4.758 2.951 -4.880 1.00 0.66 N ATOM 526 CA CYS A 35 -4.534 2.047 -3.757 1.00 0.66 C ATOM 527 C CYS A 35 -5.526 0.881 -3.792 1.00 0.72 C ATOM 528 O CYS A 35 -6.451 0.818 -2.986 1.00 1.44 O ATOM 529 CB CYS A 35 -4.627 2.811 -2.430 1.00 0.82 C ATOM 530 SG CYS A 35 -3.328 4.061 -2.316 1.00 2.49 S ATOM 0 H CYS A 35 -5.744 3.060 -5.117 1.00 0.66 H new ATOM 0 HA CYS A 35 -3.530 1.632 -3.841 1.00 0.66 H new ATOM 0 HB2 CYS A 35 -5.604 3.287 -2.347 1.00 0.82 H new ATOM 0 HB3 CYS A 35 -4.541 2.113 -1.597 1.00 0.82 H new ATOM 0 HG CYS A 35 -2.603 4.033 -3.394 1.00 2.49 H new ATOM 536 N SER A 36 -5.330 -0.068 -4.711 1.00 0.54 N ATOM 537 CA SER A 36 -6.159 -1.266 -4.787 1.00 0.70 C ATOM 538 C SER A 36 -5.691 -2.268 -3.731 1.00 0.50 C ATOM 539 O SER A 36 -4.912 -3.168 -4.051 1.00 0.52 O ATOM 540 CB SER A 36 -6.115 -1.874 -6.203 1.00 0.99 C ATOM 541 OG SER A 36 -7.186 -1.419 -7.004 1.00 1.55 O ATOM 0 H SER A 36 -4.596 -0.025 -5.418 1.00 0.54 H new ATOM 0 HA SER A 36 -7.197 -1.003 -4.585 1.00 0.70 H new ATOM 0 HB2 SER A 36 -5.169 -1.616 -6.680 1.00 0.99 H new ATOM 0 HB3 SER A 36 -6.150 -2.961 -6.133 1.00 0.99 H new ATOM 0 HG SER A 36 -7.013 -0.498 -7.289 1.00 1.55 H new ATOM 547 N VAL A 37 -6.152 -2.129 -2.481 1.00 0.46 N ATOM 548 CA VAL A 37 -5.838 -3.081 -1.428 1.00 0.40 C ATOM 549 C VAL A 37 -6.903 -4.176 -1.361 1.00 0.45 C ATOM 550 O VAL A 37 -8.020 -3.958 -0.899 1.00 0.74 O ATOM 551 CB VAL A 37 -5.496 -2.349 -0.118 1.00 0.51 C ATOM 552 CG1 VAL A 37 -6.702 -1.924 0.721 1.00 1.42 C ATOM 553 CG2 VAL A 37 -4.625 -3.247 0.754 1.00 1.55 C ATOM 0 H VAL A 37 -6.748 -1.357 -2.181 1.00 0.46 H new ATOM 0 HA VAL A 37 -4.924 -3.630 -1.654 1.00 0.40 H new ATOM 0 HB VAL A 37 -4.987 -1.437 -0.430 1.00 0.51 H new ATOM 0 HG11 VAL A 37 -6.358 -1.417 1.622 1.00 1.42 H new ATOM 0 HG12 VAL A 37 -7.329 -1.247 0.141 1.00 1.42 H new ATOM 0 HG13 VAL A 37 -7.281 -2.805 0.999 1.00 1.42 H new ATOM 0 HG21 VAL A 37 -4.383 -2.729 1.682 1.00 1.55 H new ATOM 0 HG22 VAL A 37 -5.164 -4.166 0.982 1.00 1.55 H new ATOM 0 HG23 VAL A 37 -3.705 -3.489 0.222 1.00 1.55 H new ATOM 563 N ALA A 38 -6.563 -5.357 -1.886 1.00 0.48 N ATOM 564 CA ALA A 38 -7.473 -6.470 -2.052 1.00 0.60 C ATOM 565 C ALA A 38 -7.141 -7.539 -1.015 1.00 0.54 C ATOM 566 O ALA A 38 -6.231 -8.347 -1.211 1.00 0.52 O ATOM 567 CB ALA A 38 -7.357 -6.995 -3.483 1.00 0.76 C ATOM 0 H ALA A 38 -5.618 -5.560 -2.213 1.00 0.48 H new ATOM 0 HA ALA A 38 -8.506 -6.162 -1.893 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -8.039 -7.834 -3.619 1.00 0.76 H new ATOM 0 HB2 ALA A 38 -7.615 -6.201 -4.184 1.00 0.76 H new ATOM 0 HB3 ALA A 38 -6.335 -7.325 -3.668 1.00 0.76 H new ATOM 573 N LEU A 39 -7.927 -7.565 0.068 1.00 0.57 N ATOM 574 CA LEU A 39 -7.925 -8.613 1.087 1.00 0.57 C ATOM 575 C LEU A 39 -7.901 -9.999 0.434 1.00 0.54 C ATOM 576 O LEU A 39 -7.201 -10.898 0.889 1.00 0.56 O ATOM 577 CB LEU A 39 -9.175 -8.468 1.977 1.00 0.73 C ATOM 578 CG LEU A 39 -8.933 -8.821 3.454 1.00 1.02 C ATOM 579 CD1 LEU A 39 -10.261 -8.769 4.220 1.00 1.51 C ATOM 580 CD2 LEU A 39 -8.301 -10.200 3.670 1.00 2.03 C ATOM 0 H LEU A 39 -8.605 -6.829 0.263 1.00 0.57 H new ATOM 0 HA LEU A 39 -7.030 -8.508 1.700 1.00 0.57 H new ATOM 0 HB2 LEU A 39 -9.537 -7.442 1.914 1.00 0.73 H new ATOM 0 HB3 LEU A 39 -9.964 -9.109 1.585 1.00 0.73 H new ATOM 0 HG LEU A 39 -8.224 -8.082 3.826 1.00 1.02 H new ATOM 0 HD11 LEU A 39 -10.087 -9.019 5.267 1.00 1.51 H new ATOM 0 HD12 LEU A 39 -10.681 -7.766 4.152 1.00 1.51 H new ATOM 0 HD13 LEU A 39 -10.959 -9.485 3.787 1.00 1.51 H new ATOM 0 HD21 LEU A 39 -8.163 -10.374 4.737 1.00 2.03 H new ATOM 0 HD22 LEU A 39 -8.956 -10.969 3.259 1.00 2.03 H new ATOM 0 HD23 LEU A 39 -7.334 -10.240 3.168 1.00 2.03 H new ATOM 592 N ALA A 40 -8.626 -10.146 -0.677 1.00 0.57 N ATOM 593 CA ALA A 40 -8.753 -11.396 -1.419 1.00 0.64 C ATOM 594 C ALA A 40 -7.394 -12.003 -1.768 1.00 0.64 C ATOM 595 O ALA A 40 -7.264 -13.219 -1.866 1.00 0.76 O ATOM 596 CB ALA A 40 -9.546 -11.146 -2.704 1.00 0.72 C ATOM 0 H ALA A 40 -9.153 -9.378 -1.093 1.00 0.57 H new ATOM 0 HA ALA A 40 -9.276 -12.108 -0.780 1.00 0.64 H new ATOM 0 HB1 ALA A 40 -9.642 -12.079 -3.260 1.00 0.72 H new ATOM 0 HB2 ALA A 40 -10.538 -10.770 -2.452 1.00 0.72 H new ATOM 0 HB3 ALA A 40 -9.024 -10.411 -3.316 1.00 0.72 H new ATOM 602 N THR A 41 -6.394 -11.146 -1.984 1.00 0.57 N ATOM 603 CA THR A 41 -5.030 -11.532 -2.307 1.00 0.58 C ATOM 604 C THR A 41 -4.067 -10.948 -1.265 1.00 0.53 C ATOM 605 O THR A 41 -2.861 -10.908 -1.504 1.00 0.62 O ATOM 606 CB THR A 41 -4.742 -11.111 -3.763 1.00 0.65 C ATOM 607 OG1 THR A 41 -3.381 -11.252 -4.126 1.00 1.24 O ATOM 608 CG2 THR A 41 -5.209 -9.688 -4.082 1.00 1.36 C ATOM 0 H THR A 41 -6.521 -10.135 -1.936 1.00 0.57 H new ATOM 0 HA THR A 41 -4.885 -12.611 -2.257 1.00 0.58 H new ATOM 0 HB THR A 41 -5.329 -11.807 -4.362 1.00 0.65 H new ATOM 0 HG1 THR A 41 -2.817 -11.140 -3.332 1.00 1.24 H new ATOM 0 HG21 THR A 41 -4.977 -9.453 -5.121 1.00 1.36 H new ATOM 0 HG22 THR A 41 -6.285 -9.614 -3.925 1.00 1.36 H new ATOM 0 HG23 THR A 41 -4.698 -8.982 -3.428 1.00 1.36 H new ATOM 616 N ASN A 42 -4.596 -10.506 -0.117 1.00 0.48 N ATOM 617 CA ASN A 42 -3.893 -9.885 0.993 1.00 0.50 C ATOM 618 C ASN A 42 -2.806 -8.913 0.528 1.00 0.47 C ATOM 619 O ASN A 42 -1.699 -8.900 1.062 1.00 0.53 O ATOM 620 CB ASN A 42 -3.397 -10.987 1.950 1.00 0.68 C ATOM 621 CG ASN A 42 -4.066 -10.854 3.308 1.00 0.80 C ATOM 622 OD1 ASN A 42 -4.964 -11.619 3.644 1.00 1.88 O ATOM 623 ND2 ASN A 42 -3.653 -9.869 4.093 1.00 1.20 N ATOM 0 H ASN A 42 -5.597 -10.582 0.065 1.00 0.48 H new ATOM 0 HA ASN A 42 -4.580 -9.250 1.553 1.00 0.50 H new ATOM 0 HB2 ASN A 42 -3.612 -11.968 1.527 1.00 0.68 H new ATOM 0 HB3 ASN A 42 -2.315 -10.919 2.063 1.00 0.68 H new ATOM 0 HD21 ASN A 42 -4.085 -9.730 5.007 1.00 1.20 H new ATOM 0 HD22 ASN A 42 -2.904 -9.250 3.783 1.00 1.20 H new ATOM 630 N LYS A 43 -3.121 -8.089 -0.476 1.00 0.46 N ATOM 631 CA LYS A 43 -2.117 -7.323 -1.201 1.00 0.44 C ATOM 632 C LYS A 43 -2.631 -5.929 -1.526 1.00 0.37 C ATOM 633 O LYS A 43 -3.810 -5.758 -1.833 1.00 0.40 O ATOM 634 CB LYS A 43 -1.676 -8.128 -2.440 1.00 0.52 C ATOM 635 CG LYS A 43 -1.122 -7.326 -3.629 1.00 0.58 C ATOM 636 CD LYS A 43 -2.246 -6.908 -4.597 1.00 0.68 C ATOM 637 CE LYS A 43 -2.603 -8.007 -5.603 1.00 0.71 C ATOM 638 NZ LYS A 43 -1.553 -8.228 -6.617 1.00 1.08 N ATOM 0 H LYS A 43 -4.075 -7.938 -0.804 1.00 0.46 H new ATOM 0 HA LYS A 43 -1.233 -7.166 -0.582 1.00 0.44 H new ATOM 0 HB2 LYS A 43 -0.914 -8.842 -2.127 1.00 0.52 H new ATOM 0 HB3 LYS A 43 -2.530 -8.707 -2.790 1.00 0.52 H new ATOM 0 HG2 LYS A 43 -0.606 -6.438 -3.263 1.00 0.58 H new ATOM 0 HG3 LYS A 43 -0.384 -7.926 -4.162 1.00 0.58 H new ATOM 0 HD2 LYS A 43 -3.134 -6.645 -4.023 1.00 0.68 H new ATOM 0 HD3 LYS A 43 -1.939 -6.013 -5.138 1.00 0.68 H new ATOM 0 HE2 LYS A 43 -2.783 -8.938 -5.066 1.00 0.71 H new ATOM 0 HE3 LYS A 43 -3.534 -7.744 -6.105 1.00 0.71 H new ATOM 0 HZ1 LYS A 43 -1.959 -8.726 -7.435 1.00 1.08 H new ATOM 0 HZ2 LYS A 43 -1.170 -7.312 -6.925 1.00 1.08 H new ATOM 0 HZ3 LYS A 43 -0.789 -8.802 -6.206 1.00 1.08 H new ATOM 652 N ALA A 44 -1.720 -4.952 -1.483 1.00 0.36 N ATOM 653 CA ALA A 44 -1.910 -3.605 -1.977 1.00 0.33 C ATOM 654 C ALA A 44 -1.281 -3.503 -3.363 1.00 0.36 C ATOM 655 O ALA A 44 -0.056 -3.511 -3.482 1.00 0.41 O ATOM 656 CB ALA A 44 -1.336 -2.585 -0.987 1.00 0.38 C ATOM 0 H ALA A 44 -0.793 -5.095 -1.083 1.00 0.36 H new ATOM 0 HA ALA A 44 -2.972 -3.375 -2.068 1.00 0.33 H new ATOM 0 HB1 ALA A 44 -1.487 -1.577 -1.374 1.00 0.38 H new ATOM 0 HB2 ALA A 44 -1.843 -2.685 -0.027 1.00 0.38 H new ATOM 0 HB3 ALA A 44 -0.269 -2.767 -0.855 1.00 0.38 H new ATOM 662 N HIS A 45 -2.125 -3.418 -4.395 1.00 0.41 N ATOM 663 CA HIS A 45 -1.749 -2.859 -5.684 1.00 0.41 C ATOM 664 C HIS A 45 -1.868 -1.356 -5.520 1.00 0.47 C ATOM 665 O HIS A 45 -2.889 -0.749 -5.849 1.00 0.63 O ATOM 666 CB HIS A 45 -2.625 -3.428 -6.807 1.00 0.51 C ATOM 667 CG HIS A 45 -2.175 -3.104 -8.215 1.00 0.54 C ATOM 668 ND1 HIS A 45 -1.946 -4.028 -9.207 1.00 0.70 N ATOM 669 CD2 HIS A 45 -1.699 -1.909 -8.672 1.00 0.60 C ATOM 670 CE1 HIS A 45 -1.403 -3.381 -10.254 1.00 0.73 C ATOM 671 NE2 HIS A 45 -1.254 -2.072 -9.986 1.00 0.70 N ATOM 0 H HIS A 45 -3.092 -3.739 -4.353 1.00 0.41 H new ATOM 0 HA HIS A 45 -0.733 -3.123 -5.977 1.00 0.41 H new ATOM 0 HB2 HIS A 45 -2.666 -4.512 -6.698 1.00 0.51 H new ATOM 0 HB3 HIS A 45 -3.641 -3.056 -6.675 1.00 0.51 H new ATOM 0 HD1 HIS A 45 -2.151 -5.026 -9.158 1.00 0.70 H new ATOM 0 HD2 HIS A 45 -1.671 -0.988 -8.109 1.00 0.60 H new ATOM 0 HE1 HIS A 45 -1.124 -3.851 -11.186 1.00 0.73 H new ATOM 679 N ILE A 46 -0.815 -0.762 -4.975 1.00 0.64 N ATOM 680 CA ILE A 46 -0.685 0.675 -4.941 1.00 0.69 C ATOM 681 C ILE A 46 -0.122 1.085 -6.292 1.00 0.72 C ATOM 682 O ILE A 46 0.538 0.300 -6.972 1.00 1.07 O ATOM 683 CB ILE A 46 0.173 1.085 -3.735 1.00 0.75 C ATOM 684 CG1 ILE A 46 -0.642 0.783 -2.467 1.00 0.97 C ATOM 685 CG2 ILE A 46 0.566 2.569 -3.768 1.00 0.84 C ATOM 686 CD1 ILE A 46 0.237 0.676 -1.227 1.00 1.01 C ATOM 0 H ILE A 46 -0.036 -1.265 -4.549 1.00 0.64 H new ATOM 0 HA ILE A 46 -1.633 1.194 -4.797 1.00 0.69 H new ATOM 0 HB ILE A 46 1.106 0.522 -3.755 1.00 0.75 H new ATOM 0 HG12 ILE A 46 -1.383 1.569 -2.318 1.00 0.97 H new ATOM 0 HG13 ILE A 46 -1.190 -0.150 -2.603 1.00 0.97 H new ATOM 0 HG21 ILE A 46 1.171 2.805 -2.893 1.00 0.84 H new ATOM 0 HG22 ILE A 46 1.140 2.773 -4.672 1.00 0.84 H new ATOM 0 HG23 ILE A 46 -0.334 3.184 -3.763 1.00 0.84 H new ATOM 0 HD11 ILE A 46 -0.385 0.462 -0.358 1.00 1.01 H new ATOM 0 HD12 ILE A 46 0.961 -0.128 -1.362 1.00 1.01 H new ATOM 0 HD13 ILE A 46 0.765 1.617 -1.073 1.00 1.01 H new ATOM 698 N LYS A 47 -0.413 2.309 -6.708 1.00 0.67 N ATOM 699 CA LYS A 47 0.268 2.938 -7.816 1.00 0.66 C ATOM 700 C LYS A 47 0.878 4.222 -7.257 1.00 0.63 C ATOM 701 O LYS A 47 0.266 4.822 -6.372 1.00 1.00 O ATOM 702 CB LYS A 47 -0.729 3.154 -8.956 1.00 0.71 C ATOM 703 CG LYS A 47 -1.248 1.810 -9.490 1.00 0.82 C ATOM 704 CD LYS A 47 -1.721 1.858 -10.952 1.00 1.08 C ATOM 705 CE LYS A 47 -2.977 2.708 -11.205 1.00 2.39 C ATOM 706 NZ LYS A 47 -2.727 4.160 -11.092 1.00 3.88 N ATOM 0 H LYS A 47 -1.133 2.892 -6.280 1.00 0.67 H new ATOM 0 HA LYS A 47 1.068 2.334 -8.245 1.00 0.66 H new ATOM 0 HB2 LYS A 47 -1.565 3.758 -8.604 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -0.251 3.711 -9.762 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -0.457 1.065 -9.399 1.00 0.82 H new ATOM 0 HG3 LYS A 47 -2.074 1.476 -8.862 1.00 0.82 H new ATOM 0 HD2 LYS A 47 -0.909 2.246 -11.567 1.00 1.08 H new ATOM 0 HD3 LYS A 47 -1.917 0.840 -11.288 1.00 1.08 H new ATOM 0 HE2 LYS A 47 -3.363 2.488 -12.201 1.00 2.39 H new ATOM 0 HE3 LYS A 47 -3.751 2.422 -10.493 1.00 2.39 H new ATOM 0 HZ1 LYS A 47 -3.363 4.673 -11.735 1.00 3.88 H new ATOM 0 HZ2 LYS A 47 -2.902 4.467 -10.114 1.00 3.88 H new ATOM 0 HZ3 LYS A 47 -1.739 4.363 -11.347 1.00 3.88 H new ATOM 720 N TYR A 48 2.085 4.600 -7.687 1.00 0.55 N ATOM 721 CA TYR A 48 2.909 5.589 -6.999 1.00 0.55 C ATOM 722 C TYR A 48 4.019 6.132 -7.889 1.00 0.61 C ATOM 723 O TYR A 48 4.328 5.517 -8.908 1.00 0.82 O ATOM 724 CB TYR A 48 3.516 4.980 -5.721 1.00 0.69 C ATOM 725 CG TYR A 48 4.824 4.220 -5.913 1.00 0.76 C ATOM 726 CD1 TYR A 48 4.990 3.312 -6.978 1.00 1.80 C ATOM 727 CD2 TYR A 48 5.930 4.531 -5.100 1.00 1.66 C ATOM 728 CE1 TYR A 48 6.255 2.762 -7.249 1.00 1.99 C ATOM 729 CE2 TYR A 48 7.197 3.997 -5.384 1.00 1.72 C ATOM 730 CZ TYR A 48 7.358 3.105 -6.455 1.00 1.23 C ATOM 731 OH TYR A 48 8.573 2.546 -6.714 1.00 1.50 O ATOM 0 H TYR A 48 2.518 4.223 -8.530 1.00 0.55 H new ATOM 0 HA TYR A 48 2.259 6.423 -6.736 1.00 0.55 H new ATOM 0 HB2 TYR A 48 3.684 5.782 -5.002 1.00 0.69 H new ATOM 0 HB3 TYR A 48 2.785 4.304 -5.279 1.00 0.69 H new ATOM 0 HD1 TYR A 48 4.142 3.038 -7.588 1.00 1.80 H new ATOM 0 HD2 TYR A 48 5.803 5.186 -4.251 1.00 1.66 H new ATOM 0 HE1 TYR A 48 6.377 2.073 -8.072 1.00 1.99 H new ATOM 0 HE2 TYR A 48 8.048 4.273 -4.778 1.00 1.72 H new ATOM 0 HH TYR A 48 9.233 2.888 -6.075 1.00 1.50 H new ATOM 741 N ASP A 49 4.637 7.244 -7.469 1.00 0.81 N ATOM 742 CA ASP A 49 5.648 7.934 -8.262 1.00 0.91 C ATOM 743 C ASP A 49 6.973 8.049 -7.478 1.00 0.75 C ATOM 744 O ASP A 49 7.117 8.958 -6.652 1.00 0.90 O ATOM 745 CB ASP A 49 5.112 9.309 -8.681 1.00 1.36 C ATOM 746 CG ASP A 49 3.670 9.284 -9.174 1.00 2.68 C ATOM 747 OD1 ASP A 49 2.773 9.380 -8.305 1.00 4.20 O ATOM 748 OD2 ASP A 49 3.488 9.172 -10.405 1.00 3.03 O ATOM 0 H ASP A 49 4.446 7.686 -6.570 1.00 0.81 H new ATOM 0 HA ASP A 49 5.861 7.358 -9.163 1.00 0.91 H new ATOM 0 HB2 ASP A 49 5.184 9.990 -7.833 1.00 1.36 H new ATOM 0 HB3 ASP A 49 5.748 9.712 -9.469 1.00 1.36 H new ATOM 753 N PRO A 50 7.956 7.152 -7.700 1.00 0.71 N ATOM 754 CA PRO A 50 9.199 7.135 -6.936 1.00 0.73 C ATOM 755 C PRO A 50 10.052 8.390 -7.082 1.00 0.88 C ATOM 756 O PRO A 50 10.860 8.662 -6.195 1.00 1.73 O ATOM 757 CB PRO A 50 9.958 5.871 -7.329 1.00 0.80 C ATOM 758 CG PRO A 50 9.361 5.496 -8.676 1.00 0.98 C ATOM 759 CD PRO A 50 7.929 6.037 -8.632 1.00 0.93 C ATOM 0 HA PRO A 50 8.951 7.127 -5.875 1.00 0.73 H new ATOM 0 HB2 PRO A 50 11.030 6.054 -7.403 1.00 0.80 H new ATOM 0 HB3 PRO A 50 9.821 5.077 -6.595 1.00 0.80 H new ATOM 0 HG2 PRO A 50 9.926 5.938 -9.496 1.00 0.98 H new ATOM 0 HG3 PRO A 50 9.372 4.417 -8.827 1.00 0.98 H new ATOM 0 HD2 PRO A 50 7.603 6.361 -9.620 1.00 0.93 H new ATOM 0 HD3 PRO A 50 7.230 5.268 -8.302 1.00 0.93 H new ATOM 767 N GLU A 51 9.870 9.177 -8.149 1.00 0.97 N ATOM 768 CA GLU A 51 10.471 10.507 -8.221 1.00 1.12 C ATOM 769 C GLU A 51 10.182 11.334 -6.961 1.00 1.10 C ATOM 770 O GLU A 51 11.008 12.165 -6.586 1.00 1.54 O ATOM 771 CB GLU A 51 10.046 11.266 -9.491 1.00 1.27 C ATOM 772 CG GLU A 51 8.628 10.954 -9.986 1.00 1.67 C ATOM 773 CD GLU A 51 8.652 9.784 -10.950 1.00 2.85 C ATOM 774 OE1 GLU A 51 8.948 10.009 -12.146 1.00 3.45 O ATOM 775 OE2 GLU A 51 8.478 8.630 -10.494 1.00 4.11 O ATOM 0 H GLU A 51 9.316 8.916 -8.965 1.00 0.97 H new ATOM 0 HA GLU A 51 11.549 10.357 -8.277 1.00 1.12 H new ATOM 0 HB2 GLU A 51 10.121 12.336 -9.299 1.00 1.27 H new ATOM 0 HB3 GLU A 51 10.752 11.035 -10.288 1.00 1.27 H new ATOM 0 HG2 GLU A 51 7.983 10.723 -9.139 1.00 1.67 H new ATOM 0 HG3 GLU A 51 8.206 11.831 -10.478 1.00 1.67 H new ATOM 782 N ILE A 52 9.029 11.118 -6.315 1.00 1.04 N ATOM 783 CA ILE A 52 8.680 11.776 -5.063 1.00 1.49 C ATOM 784 C ILE A 52 8.603 10.749 -3.929 1.00 1.66 C ATOM 785 O ILE A 52 9.413 10.794 -2.996 1.00 2.84 O ATOM 786 CB ILE A 52 7.430 12.665 -5.264 1.00 1.70 C ATOM 787 CG1 ILE A 52 7.069 13.540 -4.048 1.00 3.56 C ATOM 788 CG2 ILE A 52 6.205 11.968 -5.868 1.00 2.28 C ATOM 789 CD1 ILE A 52 6.368 12.831 -2.885 1.00 4.73 C ATOM 0 H ILE A 52 8.312 10.477 -6.654 1.00 1.04 H new ATOM 0 HA ILE A 52 9.462 12.468 -4.748 1.00 1.49 H new ATOM 0 HB ILE A 52 7.764 13.350 -6.043 1.00 1.70 H new ATOM 0 HG12 ILE A 52 7.985 13.994 -3.670 1.00 3.56 H new ATOM 0 HG13 ILE A 52 6.428 14.353 -4.390 1.00 3.56 H new ATOM 0 HG21 ILE A 52 5.389 12.684 -5.964 1.00 2.28 H new ATOM 0 HG22 ILE A 52 6.459 11.574 -6.852 1.00 2.28 H new ATOM 0 HG23 ILE A 52 5.895 11.150 -5.218 1.00 2.28 H new ATOM 0 HD11 ILE A 52 6.166 13.549 -2.090 1.00 4.73 H new ATOM 0 HD12 ILE A 52 5.429 12.401 -3.234 1.00 4.73 H new ATOM 0 HD13 ILE A 52 7.010 12.038 -2.502 1.00 4.73 H new ATOM 801 N ILE A 53 7.627 9.837 -3.978 1.00 0.82 N ATOM 802 CA ILE A 53 7.271 9.003 -2.838 1.00 0.83 C ATOM 803 C ILE A 53 7.930 7.639 -3.017 1.00 1.25 C ATOM 804 O ILE A 53 7.658 6.930 -3.980 1.00 2.69 O ATOM 805 CB ILE A 53 5.739 8.986 -2.621 1.00 0.54 C ATOM 806 CG1 ILE A 53 5.421 9.442 -1.187 1.00 0.77 C ATOM 807 CG2 ILE A 53 5.070 7.642 -2.926 1.00 0.98 C ATOM 808 CD1 ILE A 53 3.926 9.617 -0.926 1.00 1.29 C ATOM 0 H ILE A 53 7.065 9.660 -4.811 1.00 0.82 H new ATOM 0 HA ILE A 53 7.657 9.412 -1.904 1.00 0.83 H new ATOM 0 HB ILE A 53 5.316 9.682 -3.345 1.00 0.54 H new ATOM 0 HG12 ILE A 53 5.823 8.712 -0.484 1.00 0.77 H new ATOM 0 HG13 ILE A 53 5.930 10.386 -0.992 1.00 0.77 H new ATOM 0 HG21 ILE A 53 3.998 7.720 -2.747 1.00 0.98 H new ATOM 0 HG22 ILE A 53 5.245 7.377 -3.969 1.00 0.98 H new ATOM 0 HG23 ILE A 53 5.490 6.871 -2.280 1.00 0.98 H new ATOM 0 HD11 ILE A 53 3.772 9.940 0.104 1.00 1.29 H new ATOM 0 HD12 ILE A 53 3.523 10.368 -1.606 1.00 1.29 H new ATOM 0 HD13 ILE A 53 3.415 8.668 -1.089 1.00 1.29 H new ATOM 820 N GLY A 54 8.844 7.279 -2.121 1.00 0.87 N ATOM 821 CA GLY A 54 9.585 6.041 -2.242 1.00 0.80 C ATOM 822 C GLY A 54 8.763 4.899 -1.651 1.00 0.77 C ATOM 823 O GLY A 54 7.874 5.142 -0.830 1.00 0.83 O ATOM 0 H GLY A 54 9.086 7.835 -1.301 1.00 0.87 H new ATOM 0 HA2 GLY A 54 9.808 5.839 -3.290 1.00 0.80 H new ATOM 0 HA3 GLY A 54 10.540 6.123 -1.723 1.00 0.80 H new ATOM 827 N PRO A 55 9.097 3.644 -1.991 1.00 0.78 N ATOM 828 CA PRO A 55 8.496 2.489 -1.346 1.00 0.87 C ATOM 829 C PRO A 55 8.666 2.605 0.169 1.00 0.76 C ATOM 830 O PRO A 55 7.740 2.309 0.914 1.00 0.85 O ATOM 831 CB PRO A 55 9.201 1.264 -1.938 1.00 1.01 C ATOM 832 CG PRO A 55 10.547 1.809 -2.418 1.00 0.88 C ATOM 833 CD PRO A 55 10.223 3.248 -2.823 1.00 0.81 C ATOM 0 HA PRO A 55 7.423 2.411 -1.521 1.00 0.87 H new ATOM 0 HB2 PRO A 55 9.331 0.479 -1.193 1.00 1.01 H new ATOM 0 HB3 PRO A 55 8.629 0.832 -2.759 1.00 1.01 H new ATOM 0 HG2 PRO A 55 11.299 1.773 -1.630 1.00 0.88 H new ATOM 0 HG3 PRO A 55 10.937 1.234 -3.257 1.00 0.88 H new ATOM 0 HD2 PRO A 55 11.079 3.903 -2.662 1.00 0.81 H new ATOM 0 HD3 PRO A 55 9.969 3.310 -3.881 1.00 0.81 H new ATOM 841 N ARG A 56 9.826 3.115 0.606 1.00 0.66 N ATOM 842 CA ARG A 56 10.113 3.533 1.973 1.00 0.86 C ATOM 843 C ARG A 56 8.886 4.168 2.653 1.00 0.64 C ATOM 844 O ARG A 56 8.520 3.774 3.759 1.00 0.66 O ATOM 845 CB ARG A 56 11.340 4.483 1.959 1.00 1.38 C ATOM 846 CG ARG A 56 10.954 5.889 1.475 1.00 3.43 C ATOM 847 CD ARG A 56 12.035 6.893 1.087 1.00 4.85 C ATOM 848 NE ARG A 56 11.349 8.158 0.739 1.00 6.81 N ATOM 849 CZ ARG A 56 11.407 8.851 -0.414 1.00 8.55 C ATOM 850 NH1 ARG A 56 12.441 8.701 -1.247 1.00 8.95 N ATOM 851 NH2 ARG A 56 10.406 9.675 -0.734 1.00 10.26 N ATOM 0 H ARG A 56 10.622 3.251 -0.017 1.00 0.66 H new ATOM 0 HA ARG A 56 10.354 2.656 2.573 1.00 0.86 H new ATOM 0 HB2 ARG A 56 11.765 4.545 2.961 1.00 1.38 H new ATOM 0 HB3 ARG A 56 12.113 4.072 1.309 1.00 1.38 H new ATOM 0 HG2 ARG A 56 10.303 5.765 0.610 1.00 3.43 H new ATOM 0 HG3 ARG A 56 10.355 6.348 2.261 1.00 3.43 H new ATOM 0 HD2 ARG A 56 12.732 7.047 1.911 1.00 4.85 H new ATOM 0 HD3 ARG A 56 12.617 6.525 0.242 1.00 4.85 H new ATOM 0 HE ARG A 56 10.756 8.556 1.467 1.00 6.81 H new ATOM 0 HH11 ARG A 56 13.196 8.057 -1.012 1.00 8.95 H new ATOM 0 HH12 ARG A 56 12.475 9.231 -2.118 1.00 8.95 H new ATOM 0 HH21 ARG A 56 9.607 9.775 -0.107 1.00 10.26 H new ATOM 0 HH22 ARG A 56 10.440 10.205 -1.605 1.00 10.26 H new ATOM 865 N ASP A 57 8.276 5.180 2.025 1.00 0.64 N ATOM 866 CA ASP A 57 7.333 6.064 2.689 1.00 0.61 C ATOM 867 C ASP A 57 6.073 5.255 2.931 1.00 0.50 C ATOM 868 O ASP A 57 5.562 5.166 4.044 1.00 0.49 O ATOM 869 CB ASP A 57 7.021 7.294 1.817 1.00 0.74 C ATOM 870 CG ASP A 57 8.236 8.126 1.428 1.00 1.83 C ATOM 871 OD1 ASP A 57 9.108 8.395 2.278 1.00 2.90 O ATOM 872 OD2 ASP A 57 8.337 8.479 0.236 1.00 2.96 O ATOM 0 H ASP A 57 8.428 5.403 1.041 1.00 0.64 H new ATOM 0 HA ASP A 57 7.750 6.436 3.625 1.00 0.61 H new ATOM 0 HB2 ASP A 57 6.521 6.960 0.908 1.00 0.74 H new ATOM 0 HB3 ASP A 57 6.317 7.932 2.352 1.00 0.74 H new ATOM 877 N ILE A 58 5.596 4.644 1.849 1.00 0.47 N ATOM 878 CA ILE A 58 4.423 3.800 1.838 1.00 0.45 C ATOM 879 C ILE A 58 4.596 2.678 2.858 1.00 0.43 C ATOM 880 O ILE A 58 3.730 2.504 3.707 1.00 0.40 O ATOM 881 CB ILE A 58 4.193 3.291 0.410 1.00 0.51 C ATOM 882 CG1 ILE A 58 3.786 4.485 -0.474 1.00 0.59 C ATOM 883 CG2 ILE A 58 3.107 2.211 0.375 1.00 0.50 C ATOM 884 CD1 ILE A 58 4.016 4.176 -1.949 1.00 0.96 C ATOM 0 H ILE A 58 6.035 4.731 0.932 1.00 0.47 H new ATOM 0 HA ILE A 58 3.532 4.355 2.131 1.00 0.45 H new ATOM 0 HB ILE A 58 5.113 2.842 0.036 1.00 0.51 H new ATOM 0 HG12 ILE A 58 2.735 4.723 -0.308 1.00 0.59 H new ATOM 0 HG13 ILE A 58 4.361 5.366 -0.189 1.00 0.59 H new ATOM 0 HG21 ILE A 58 2.966 1.870 -0.651 1.00 0.50 H new ATOM 0 HG22 ILE A 58 3.410 1.370 0.999 1.00 0.50 H new ATOM 0 HG23 ILE A 58 2.171 2.624 0.752 1.00 0.50 H new ATOM 0 HD11 ILE A 58 3.721 5.035 -2.551 1.00 0.96 H new ATOM 0 HD12 ILE A 58 5.072 3.962 -2.116 1.00 0.96 H new ATOM 0 HD13 ILE A 58 3.420 3.310 -2.236 1.00 0.96 H new ATOM 896 N ILE A 59 5.705 1.937 2.801 1.00 0.49 N ATOM 897 CA ILE A 59 5.986 0.854 3.735 1.00 0.57 C ATOM 898 C ILE A 59 5.876 1.370 5.170 1.00 0.55 C ATOM 899 O ILE A 59 5.055 0.859 5.931 1.00 0.56 O ATOM 900 CB ILE A 59 7.348 0.207 3.419 1.00 0.68 C ATOM 901 CG1 ILE A 59 7.233 -0.587 2.103 1.00 0.78 C ATOM 902 CG2 ILE A 59 7.798 -0.727 4.554 1.00 0.93 C ATOM 903 CD1 ILE A 59 8.600 -0.946 1.516 1.00 1.56 C ATOM 0 H ILE A 59 6.434 2.075 2.101 1.00 0.49 H new ATOM 0 HA ILE A 59 5.244 0.063 3.624 1.00 0.57 H new ATOM 0 HB ILE A 59 8.095 0.995 3.319 1.00 0.68 H new ATOM 0 HG12 ILE A 59 6.666 -1.501 2.282 1.00 0.78 H new ATOM 0 HG13 ILE A 59 6.671 -0.000 1.376 1.00 0.78 H new ATOM 0 HG21 ILE A 59 8.762 -1.168 4.301 1.00 0.93 H new ATOM 0 HG22 ILE A 59 7.891 -0.157 5.479 1.00 0.93 H new ATOM 0 HG23 ILE A 59 7.061 -1.519 4.688 1.00 0.93 H new ATOM 0 HD11 ILE A 59 8.463 -1.505 0.590 1.00 1.56 H new ATOM 0 HD12 ILE A 59 9.159 -0.033 1.310 1.00 1.56 H new ATOM 0 HD13 ILE A 59 9.153 -1.557 2.229 1.00 1.56 H new ATOM 915 N HIS A 60 6.637 2.413 5.528 1.00 0.59 N ATOM 916 CA HIS A 60 6.574 2.961 6.872 1.00 0.62 C ATOM 917 C HIS A 60 5.145 3.380 7.205 1.00 0.56 C ATOM 918 O HIS A 60 4.699 3.183 8.333 1.00 0.66 O ATOM 919 CB HIS A 60 7.544 4.136 7.025 1.00 0.76 C ATOM 920 CG HIS A 60 8.990 3.713 7.069 1.00 1.31 C ATOM 921 ND1 HIS A 60 9.908 3.850 6.058 1.00 2.54 N ATOM 922 CD2 HIS A 60 9.633 3.133 8.127 1.00 1.41 C ATOM 923 CE1 HIS A 60 11.082 3.370 6.500 1.00 3.13 C ATOM 924 NE2 HIS A 60 10.969 2.931 7.763 1.00 2.38 N ATOM 0 H HIS A 60 7.294 2.884 4.906 1.00 0.59 H new ATOM 0 HA HIS A 60 6.876 2.188 7.578 1.00 0.62 H new ATOM 0 HB2 HIS A 60 7.400 4.828 6.195 1.00 0.76 H new ATOM 0 HB3 HIS A 60 7.304 4.680 7.938 1.00 0.76 H new ATOM 0 HD1 HIS A 60 9.730 4.246 5.135 1.00 2.54 H new ATOM 0 HD2 HIS A 60 9.188 2.876 9.077 1.00 1.41 H new ATOM 0 HE1 HIS A 60 11.992 3.341 5.919 1.00 3.13 H new ATOM 932 N THR A 61 4.409 3.938 6.241 1.00 0.48 N ATOM 933 CA THR A 61 3.037 4.347 6.490 1.00 0.48 C ATOM 934 C THR A 61 2.155 3.126 6.791 1.00 0.41 C ATOM 935 O THR A 61 1.405 3.140 7.761 1.00 0.50 O ATOM 936 CB THR A 61 2.523 5.230 5.343 1.00 0.58 C ATOM 937 OG1 THR A 61 3.380 6.344 5.194 1.00 0.74 O ATOM 938 CG2 THR A 61 1.127 5.776 5.638 1.00 0.66 C ATOM 0 H THR A 61 4.741 4.113 5.293 1.00 0.48 H new ATOM 0 HA THR A 61 2.993 4.968 7.385 1.00 0.48 H new ATOM 0 HB THR A 61 2.494 4.615 4.444 1.00 0.58 H new ATOM 0 HG1 THR A 61 4.222 6.056 4.784 1.00 0.74 H new ATOM 0 HG21 THR A 61 0.795 6.396 4.805 1.00 0.66 H new ATOM 0 HG22 THR A 61 0.433 4.946 5.772 1.00 0.66 H new ATOM 0 HG23 THR A 61 1.156 6.376 6.548 1.00 0.66 H new ATOM 946 N ILE A 62 2.246 2.058 5.997 1.00 0.36 N ATOM 947 CA ILE A 62 1.460 0.838 6.165 1.00 0.39 C ATOM 948 C ILE A 62 1.788 0.170 7.507 1.00 0.44 C ATOM 949 O ILE A 62 0.874 -0.196 8.253 1.00 0.42 O ATOM 950 CB ILE A 62 1.670 -0.075 4.939 1.00 0.42 C ATOM 951 CG1 ILE A 62 1.030 0.601 3.711 1.00 0.46 C ATOM 952 CG2 ILE A 62 1.051 -1.467 5.119 1.00 0.50 C ATOM 953 CD1 ILE A 62 1.234 -0.202 2.428 1.00 0.68 C ATOM 0 H ILE A 62 2.883 2.018 5.202 1.00 0.36 H new ATOM 0 HA ILE A 62 0.395 1.068 6.207 1.00 0.39 H new ATOM 0 HB ILE A 62 2.743 -0.213 4.810 1.00 0.42 H new ATOM 0 HG12 ILE A 62 -0.038 0.732 3.888 1.00 0.46 H new ATOM 0 HG13 ILE A 62 1.457 1.596 3.585 1.00 0.46 H new ATOM 0 HG21 ILE A 62 1.231 -2.064 4.225 1.00 0.50 H new ATOM 0 HG22 ILE A 62 1.504 -1.958 5.980 1.00 0.50 H new ATOM 0 HG23 ILE A 62 -0.023 -1.370 5.280 1.00 0.50 H new ATOM 0 HD11 ILE A 62 0.764 0.319 1.594 1.00 0.68 H new ATOM 0 HD12 ILE A 62 2.301 -0.311 2.233 1.00 0.68 H new ATOM 0 HD13 ILE A 62 0.783 -1.188 2.540 1.00 0.68 H new ATOM 965 N GLU A 63 3.077 0.047 7.827 1.00 0.58 N ATOM 966 CA GLU A 63 3.544 -0.433 9.122 1.00 0.81 C ATOM 967 C GLU A 63 2.937 0.418 10.235 1.00 0.80 C ATOM 968 O GLU A 63 2.259 -0.095 11.121 1.00 0.84 O ATOM 969 CB GLU A 63 5.077 -0.416 9.137 1.00 1.10 C ATOM 970 CG GLU A 63 5.627 -1.484 8.179 1.00 1.20 C ATOM 971 CD GLU A 63 7.133 -1.397 7.973 1.00 1.86 C ATOM 972 OE1 GLU A 63 7.701 -0.328 8.283 1.00 2.68 O ATOM 973 OE2 GLU A 63 7.686 -2.408 7.487 1.00 2.94 O ATOM 0 H GLU A 63 3.833 0.282 7.184 1.00 0.58 H new ATOM 0 HA GLU A 63 3.221 -1.460 9.293 1.00 0.81 H new ATOM 0 HB2 GLU A 63 5.440 0.569 8.843 1.00 1.10 H new ATOM 0 HB3 GLU A 63 5.440 -0.601 10.148 1.00 1.10 H new ATOM 0 HG2 GLU A 63 5.378 -2.472 8.567 1.00 1.20 H new ATOM 0 HG3 GLU A 63 5.130 -1.386 7.214 1.00 1.20 H new ATOM 980 N SER A 64 3.151 1.730 10.149 1.00 0.79 N ATOM 981 CA SER A 64 2.644 2.712 11.090 1.00 0.89 C ATOM 982 C SER A 64 1.128 2.557 11.299 1.00 0.75 C ATOM 983 O SER A 64 0.662 2.571 12.436 1.00 0.83 O ATOM 984 CB SER A 64 3.075 4.109 10.613 1.00 0.98 C ATOM 985 OG SER A 64 2.618 5.134 11.476 1.00 1.24 O ATOM 0 H SER A 64 3.700 2.146 9.397 1.00 0.79 H new ATOM 0 HA SER A 64 3.072 2.554 12.080 1.00 0.89 H new ATOM 0 HB2 SER A 64 4.162 4.149 10.548 1.00 0.98 H new ATOM 0 HB3 SER A 64 2.689 4.283 9.609 1.00 0.98 H new ATOM 0 HG SER A 64 2.915 6.004 11.137 1.00 1.24 H new ATOM 991 N LEU A 65 0.339 2.416 10.228 1.00 0.72 N ATOM 992 CA LEU A 65 -1.095 2.211 10.346 1.00 0.77 C ATOM 993 C LEU A 65 -1.432 0.866 10.979 1.00 0.88 C ATOM 994 O LEU A 65 -2.385 0.789 11.761 1.00 1.42 O ATOM 995 CB LEU A 65 -1.737 2.298 8.962 1.00 0.90 C ATOM 996 CG LEU A 65 -1.640 3.713 8.380 1.00 1.03 C ATOM 997 CD1 LEU A 65 -1.706 3.582 6.863 1.00 1.92 C ATOM 998 CD2 LEU A 65 -2.751 4.625 8.906 1.00 1.45 C ATOM 0 H LEU A 65 0.680 2.442 9.267 1.00 0.72 H new ATOM 0 HA LEU A 65 -1.489 2.991 10.998 1.00 0.77 H new ATOM 0 HB2 LEU A 65 -1.248 1.593 8.289 1.00 0.90 H new ATOM 0 HB3 LEU A 65 -2.784 2.002 9.027 1.00 0.90 H new ATOM 0 HG LEU A 65 -0.703 4.178 8.686 1.00 1.03 H new ATOM 0 HD11 LEU A 65 -1.640 4.571 6.409 1.00 1.92 H new ATOM 0 HD12 LEU A 65 -0.877 2.967 6.515 1.00 1.92 H new ATOM 0 HD13 LEU A 65 -2.649 3.115 6.579 1.00 1.92 H new ATOM 0 HD21 LEU A 65 -2.645 5.618 8.468 1.00 1.45 H new ATOM 0 HD22 LEU A 65 -3.722 4.210 8.634 1.00 1.45 H new ATOM 0 HD23 LEU A 65 -2.679 4.697 9.991 1.00 1.45 H new ATOM 1010 N GLY A 66 -0.777 -0.215 10.553 1.00 0.79 N ATOM 1011 CA GLY A 66 -1.053 -1.528 11.112 1.00 0.88 C ATOM 1012 C GLY A 66 0.052 -2.562 10.907 1.00 0.94 C ATOM 1013 O GLY A 66 0.300 -3.372 11.797 1.00 1.49 O ATOM 0 H GLY A 66 -0.059 -0.203 9.829 1.00 0.79 H new ATOM 0 HA2 GLY A 66 -1.235 -1.420 12.181 1.00 0.88 H new ATOM 0 HA3 GLY A 66 -1.973 -1.909 10.669 1.00 0.88 H new ATOM 1017 N PHE A 67 0.576 -2.655 9.682 1.00 0.78 N ATOM 1018 CA PHE A 67 0.819 -3.961 9.078 1.00 0.60 C ATOM 1019 C PHE A 67 2.242 -4.087 8.541 1.00 0.89 C ATOM 1020 O PHE A 67 2.681 -3.230 7.781 1.00 1.68 O ATOM 1021 CB PHE A 67 -0.145 -4.155 7.905 1.00 0.43 C ATOM 1022 CG PHE A 67 -1.528 -3.575 8.101 1.00 0.38 C ATOM 1023 CD1 PHE A 67 -2.492 -4.272 8.849 1.00 1.81 C ATOM 1024 CD2 PHE A 67 -1.806 -2.277 7.637 1.00 1.76 C ATOM 1025 CE1 PHE A 67 -3.764 -3.709 9.042 1.00 1.77 C ATOM 1026 CE2 PHE A 67 -3.075 -1.717 7.828 1.00 1.81 C ATOM 1027 CZ PHE A 67 -4.075 -2.458 8.475 1.00 0.44 C ATOM 0 H PHE A 67 0.835 -1.857 9.101 1.00 0.78 H new ATOM 0 HA PHE A 67 0.670 -4.714 9.852 1.00 0.60 H new ATOM 0 HB2 PHE A 67 0.297 -3.706 7.015 1.00 0.43 H new ATOM 0 HB3 PHE A 67 -0.241 -5.223 7.708 1.00 0.43 H new ATOM 0 HD1 PHE A 67 -2.256 -5.236 9.274 1.00 1.81 H new ATOM 0 HD2 PHE A 67 -1.038 -1.710 7.132 1.00 1.76 H new ATOM 0 HE1 PHE A 67 -4.504 -4.236 9.626 1.00 1.77 H new ATOM 0 HE2 PHE A 67 -3.283 -0.717 7.478 1.00 1.81 H new ATOM 0 HZ PHE A 67 -5.081 -2.070 8.538 1.00 0.44 H new ATOM 1037 N GLU A 68 2.908 -5.208 8.812 1.00 0.88 N ATOM 1038 CA GLU A 68 4.155 -5.521 8.136 1.00 0.82 C ATOM 1039 C GLU A 68 3.810 -6.029 6.732 1.00 0.57 C ATOM 1040 O GLU A 68 2.691 -6.490 6.481 1.00 1.01 O ATOM 1041 CB GLU A 68 4.990 -6.513 8.960 1.00 1.37 C ATOM 1042 CG GLU A 68 4.161 -7.563 9.716 1.00 1.72 C ATOM 1043 CD GLU A 68 5.028 -8.731 10.162 1.00 2.19 C ATOM 1044 OE1 GLU A 68 5.496 -9.453 9.253 1.00 2.67 O ATOM 1045 OE2 GLU A 68 5.227 -8.872 11.385 1.00 3.27 O ATOM 0 H GLU A 68 2.604 -5.907 9.490 1.00 0.88 H new ATOM 0 HA GLU A 68 4.783 -4.636 8.037 1.00 0.82 H new ATOM 0 HB2 GLU A 68 5.684 -7.026 8.294 1.00 1.37 H new ATOM 0 HB3 GLU A 68 5.590 -5.955 9.679 1.00 1.37 H new ATOM 0 HG2 GLU A 68 3.691 -7.103 10.585 1.00 1.72 H new ATOM 0 HG3 GLU A 68 3.358 -7.927 9.075 1.00 1.72 H new ATOM 1052 N ALA A 69 4.748 -5.886 5.793 1.00 0.71 N ATOM 1053 CA ALA A 69 4.479 -6.060 4.375 1.00 0.88 C ATOM 1054 C ALA A 69 5.672 -6.696 3.667 1.00 1.01 C ATOM 1055 O ALA A 69 6.772 -6.749 4.213 1.00 1.28 O ATOM 1056 CB ALA A 69 4.135 -4.699 3.761 1.00 1.04 C ATOM 0 H ALA A 69 5.717 -5.645 6.002 1.00 0.71 H new ATOM 0 HA ALA A 69 3.632 -6.735 4.249 1.00 0.88 H new ATOM 0 HB1 ALA A 69 3.932 -4.821 2.697 1.00 1.04 H new ATOM 0 HB2 ALA A 69 3.253 -4.290 4.254 1.00 1.04 H new ATOM 0 HB3 ALA A 69 4.975 -4.017 3.894 1.00 1.04 H new ATOM 1062 N SER A 70 5.438 -7.183 2.450 1.00 0.93 N ATOM 1063 CA SER A 70 6.432 -7.775 1.571 1.00 1.03 C ATOM 1064 C SER A 70 6.259 -7.159 0.181 1.00 0.72 C ATOM 1065 O SER A 70 5.247 -7.403 -0.477 1.00 0.57 O ATOM 1066 CB SER A 70 6.222 -9.292 1.519 1.00 1.28 C ATOM 1067 OG SER A 70 6.295 -9.879 2.810 1.00 2.19 O ATOM 0 H SER A 70 4.506 -7.173 2.035 1.00 0.93 H new ATOM 0 HA SER A 70 7.441 -7.581 1.935 1.00 1.03 H new ATOM 0 HB2 SER A 70 5.250 -9.509 1.075 1.00 1.28 H new ATOM 0 HB3 SER A 70 6.976 -9.741 0.872 1.00 1.28 H new ATOM 0 HG SER A 70 5.673 -10.635 2.861 1.00 2.19 H new ATOM 1073 N LEU A 71 7.227 -6.362 -0.278 1.00 0.81 N ATOM 1074 CA LEU A 71 7.224 -5.722 -1.577 1.00 0.77 C ATOM 1075 C LEU A 71 7.498 -6.781 -2.646 1.00 0.76 C ATOM 1076 O LEU A 71 8.613 -6.928 -3.136 1.00 1.43 O ATOM 1077 CB LEU A 71 8.259 -4.586 -1.509 1.00 1.23 C ATOM 1078 CG LEU A 71 8.458 -3.815 -2.814 1.00 1.30 C ATOM 1079 CD1 LEU A 71 7.189 -3.088 -3.268 1.00 2.95 C ATOM 1080 CD2 LEU A 71 9.590 -2.795 -2.645 1.00 2.25 C ATOM 0 H LEU A 71 8.059 -6.143 0.270 1.00 0.81 H new ATOM 0 HA LEU A 71 6.266 -5.278 -1.849 1.00 0.77 H new ATOM 0 HB2 LEU A 71 7.955 -3.884 -0.732 1.00 1.23 H new ATOM 0 HB3 LEU A 71 9.217 -5.006 -1.203 1.00 1.23 H new ATOM 0 HG LEU A 71 8.712 -4.546 -3.582 1.00 1.30 H new ATOM 0 HD11 LEU A 71 7.387 -2.557 -4.199 1.00 2.95 H new ATOM 0 HD12 LEU A 71 6.391 -3.813 -3.427 1.00 2.95 H new ATOM 0 HD13 LEU A 71 6.884 -2.375 -2.502 1.00 2.95 H new ATOM 0 HD21 LEU A 71 9.729 -2.248 -3.577 1.00 2.25 H new ATOM 0 HD22 LEU A 71 9.334 -2.096 -1.849 1.00 2.25 H new ATOM 0 HD23 LEU A 71 10.513 -3.315 -2.389 1.00 2.25 H new ATOM 1092 N VAL A 72 6.459 -7.548 -2.976 1.00 0.77 N ATOM 1093 CA VAL A 72 6.522 -8.585 -3.993 1.00 0.74 C ATOM 1094 C VAL A 72 6.809 -7.992 -5.380 1.00 1.02 C ATOM 1095 O VAL A 72 7.523 -8.609 -6.164 1.00 2.01 O ATOM 1096 CB VAL A 72 5.251 -9.455 -3.958 1.00 0.78 C ATOM 1097 CG1 VAL A 72 5.145 -10.218 -2.631 1.00 0.97 C ATOM 1098 CG2 VAL A 72 3.952 -8.686 -4.230 1.00 0.97 C ATOM 0 H VAL A 72 5.542 -7.462 -2.537 1.00 0.77 H new ATOM 0 HA VAL A 72 7.361 -9.244 -3.770 1.00 0.74 H new ATOM 0 HB VAL A 72 5.364 -10.160 -4.782 1.00 0.78 H new ATOM 0 HG11 VAL A 72 4.239 -10.825 -2.631 1.00 0.97 H new ATOM 0 HG12 VAL A 72 6.015 -10.864 -2.512 1.00 0.97 H new ATOM 0 HG13 VAL A 72 5.106 -9.508 -1.805 1.00 0.97 H new ATOM 0 HG21 VAL A 72 3.107 -9.373 -4.187 1.00 0.97 H new ATOM 0 HG22 VAL A 72 3.826 -7.907 -3.478 1.00 0.97 H new ATOM 0 HG23 VAL A 72 3.999 -8.231 -5.219 1.00 0.97 H new ATOM 1108 N LYS A 73 6.253 -6.807 -5.673 1.00 1.87 N ATOM 1109 CA LYS A 73 6.388 -6.074 -6.929 1.00 2.38 C ATOM 1110 C LYS A 73 6.416 -7.006 -8.148 1.00 2.02 C ATOM 1111 O LYS A 73 7.429 -7.112 -8.846 1.00 2.81 O ATOM 1112 CB LYS A 73 7.572 -5.097 -6.858 1.00 3.55 C ATOM 1113 CG LYS A 73 7.627 -4.169 -8.091 1.00 4.04 C ATOM 1114 CD LYS A 73 8.912 -4.358 -8.917 1.00 3.78 C ATOM 1115 CE LYS A 73 8.667 -4.303 -10.433 1.00 4.50 C ATOM 1116 NZ LYS A 73 7.928 -5.487 -10.916 1.00 4.73 N ATOM 0 H LYS A 73 5.667 -6.313 -5.000 1.00 1.87 H new ATOM 0 HA LYS A 73 5.494 -5.467 -7.073 1.00 2.38 H new ATOM 0 HB2 LYS A 73 7.492 -4.494 -5.953 1.00 3.55 H new ATOM 0 HB3 LYS A 73 8.503 -5.659 -6.785 1.00 3.55 H new ATOM 0 HG2 LYS A 73 6.761 -4.361 -8.724 1.00 4.04 H new ATOM 0 HG3 LYS A 73 7.559 -3.132 -7.764 1.00 4.04 H new ATOM 0 HD2 LYS A 73 9.630 -3.585 -8.643 1.00 3.78 H new ATOM 0 HD3 LYS A 73 9.363 -5.317 -8.662 1.00 3.78 H new ATOM 0 HE2 LYS A 73 8.106 -3.401 -10.677 1.00 4.50 H new ATOM 0 HE3 LYS A 73 9.623 -4.235 -10.953 1.00 4.50 H new ATOM 0 HZ1 LYS A 73 8.229 -5.712 -11.886 1.00 4.73 H new ATOM 0 HZ2 LYS A 73 8.127 -6.297 -10.295 1.00 4.73 H new ATOM 0 HZ3 LYS A 73 6.908 -5.287 -10.908 1.00 4.73 H new ATOM 1130 N ILE A 74 5.263 -7.632 -8.417 1.00 2.08 N ATOM 1131 CA ILE A 74 5.044 -8.495 -9.573 1.00 2.93 C ATOM 1132 C ILE A 74 5.577 -7.843 -10.855 1.00 3.81 C ATOM 1133 O ILE A 74 5.601 -6.612 -10.940 1.00 4.73 O ATOM 1134 CB ILE A 74 3.559 -8.889 -9.694 1.00 3.72 C ATOM 1135 CG1 ILE A 74 2.662 -7.669 -9.977 1.00 3.98 C ATOM 1136 CG2 ILE A 74 3.114 -9.644 -8.432 1.00 4.91 C ATOM 1137 CD1 ILE A 74 1.183 -8.039 -10.140 1.00 4.52 C ATOM 0 H ILE A 74 4.441 -7.547 -7.820 1.00 2.08 H new ATOM 0 HA ILE A 74 5.608 -9.416 -9.425 1.00 2.93 H new ATOM 0 HB ILE A 74 3.449 -9.554 -10.550 1.00 3.72 H new ATOM 0 HG12 ILE A 74 2.764 -6.953 -9.162 1.00 3.98 H new ATOM 0 HG13 ILE A 74 3.009 -7.172 -10.883 1.00 3.98 H new ATOM 0 HG21 ILE A 74 2.063 -9.919 -8.524 1.00 4.91 H new ATOM 0 HG22 ILE A 74 3.716 -10.545 -8.316 1.00 4.91 H new ATOM 0 HG23 ILE A 74 3.246 -9.004 -7.560 1.00 4.91 H new ATOM 0 HD11 ILE A 74 0.602 -7.138 -10.337 1.00 4.52 H new ATOM 0 HD12 ILE A 74 1.071 -8.733 -10.973 1.00 4.52 H new ATOM 0 HD13 ILE A 74 0.823 -8.510 -9.225 1.00 4.52 H new ATOM 1149 N GLU A 75 6.059 -8.692 -11.771 1.00 4.43 N ATOM 1150 CA GLU A 75 6.880 -8.384 -12.939 1.00 5.76 C ATOM 1151 C GLU A 75 6.593 -6.999 -13.526 1.00 6.70 C ATOM 1152 O GLU A 75 7.486 -6.132 -13.371 1.00 7.30 O ATOM 1153 CB GLU A 75 6.725 -9.514 -13.969 1.00 7.03 C ATOM 1154 CG GLU A 75 7.898 -9.581 -14.956 1.00 8.02 C ATOM 1155 CD GLU A 75 7.800 -10.804 -15.861 1.00 9.44 C ATOM 1156 OE1 GLU A 75 7.700 -11.915 -15.298 1.00 9.74 O ATOM 1157 OE2 GLU A 75 7.832 -10.610 -17.096 1.00 10.62 O ATOM 1158 OXT GLU A 75 5.477 -6.810 -14.055 1.00 7.32 O ATOM 0 H GLU A 75 5.867 -9.692 -11.705 1.00 4.43 H new ATOM 0 HA GLU A 75 7.923 -8.333 -12.628 1.00 5.76 H new ATOM 0 HB2 GLU A 75 6.640 -10.467 -13.447 1.00 7.03 H new ATOM 0 HB3 GLU A 75 5.797 -9.370 -14.523 1.00 7.03 H new ATOM 0 HG2 GLU A 75 7.914 -8.677 -15.565 1.00 8.02 H new ATOM 0 HG3 GLU A 75 8.838 -9.610 -14.404 1.00 8.02 H new TER 1165 GLU A 75