USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 536 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 5 GLN : amide:sc= 0.131 K(o=1.4,f=-0.7!) USER MOD Set 1.2: A 35 THR OG1 : rot 173:sc= 1.27 USER MOD Set 2.1: A 16 THR OG1 : rot 129:sc= 0.0873 USER MOD Set 2.2: A 17 CYS SG : rot 180:sc= -0.624 USER MOD Set 2.3: A 20 CYS SG : rot 74:sc= -1.72! USER MOD Set 3.1: A 11 GLN : amide:sc= -0.703 X(o=-0.3,f=-0.21) USER MOD Set 3.2: A 45 THR OG1 : rot 68:sc= 0.406 USER MOD Single : A 3 SER OG : rot 32:sc= 0.237 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -126:sc= 0 (180deg=-0.2) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 2.32 (180deg=2.14) USER MOD Single : A 31 MET CE :methyl 172:sc= -0.0125 (180deg=-0.146) USER MOD Single : A 38 ASN : amide:sc= 0.293 K(o=0.29,f=-0.33) USER MOD Single : A 40 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.4) USER MOD Single : A 43 THR OG1 : rot -46:sc= 0.84 USER MOD Single : A 47 ASN : amide:sc= 0.786 K(o=0.79,f=-0.0036) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 61 GLN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -125:sc= 1.12 (180deg=-0.166) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -60:sc= -0.0284 USER MOD Single : A 70 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 0.094 15.542 13.158 1.00 0.56 N ATOM 40 CA SER A 3 0.153 14.196 12.628 1.00 0.46 C ATOM 41 C SER A 3 1.609 13.982 12.223 1.00 0.45 C ATOM 42 O SER A 3 2.240 14.911 11.717 1.00 0.75 O ATOM 43 CB SER A 3 -0.778 14.104 11.414 1.00 0.53 C ATOM 44 OG SER A 3 -2.067 14.589 11.748 1.00 0.67 O ATOM 0 HA SER A 3 -0.164 13.439 13.345 1.00 0.46 H new ATOM 0 HB2 SER A 3 -0.367 14.682 10.587 1.00 0.53 H new ATOM 0 HB3 SER A 3 -0.847 13.070 11.077 1.00 0.53 H new ATOM 0 HG SER A 3 -1.985 15.303 12.414 1.00 0.67 H new ATOM 50 N GLU A 4 2.144 12.793 12.477 1.00 0.49 N ATOM 51 CA GLU A 4 3.472 12.393 12.070 1.00 0.44 C ATOM 52 C GLU A 4 3.392 11.759 10.682 1.00 0.48 C ATOM 53 O GLU A 4 2.347 11.764 10.037 1.00 0.81 O ATOM 54 CB GLU A 4 4.030 11.425 13.118 1.00 0.57 C ATOM 55 CG GLU A 4 4.790 12.132 14.228 1.00 0.71 C ATOM 56 CD GLU A 4 5.664 11.206 15.079 1.00 1.05 C ATOM 57 OE1 GLU A 4 5.972 10.086 14.611 1.00 2.17 O ATOM 58 OE2 GLU A 4 6.022 11.646 16.192 1.00 1.67 O ATOM 0 H GLU A 4 1.645 12.064 12.987 1.00 0.49 H new ATOM 0 HA GLU A 4 4.146 13.248 12.006 1.00 0.44 H new ATOM 0 HB2 GLU A 4 3.209 10.854 13.552 1.00 0.57 H new ATOM 0 HB3 GLU A 4 4.692 10.710 12.629 1.00 0.57 H new ATOM 0 HG2 GLU A 4 5.420 12.904 13.787 1.00 0.71 H new ATOM 0 HG3 GLU A 4 4.075 12.637 14.878 1.00 0.71 H new ATOM 65 N GLN A 5 4.508 11.211 10.207 1.00 0.38 N ATOM 66 CA GLN A 5 4.546 10.305 9.081 1.00 0.37 C ATOM 67 C GLN A 5 5.474 9.161 9.449 1.00 0.38 C ATOM 68 O GLN A 5 6.461 9.390 10.148 1.00 0.47 O ATOM 69 CB GLN A 5 5.137 11.033 7.879 1.00 0.49 C ATOM 70 CG GLN A 5 4.307 12.242 7.457 1.00 0.64 C ATOM 71 CD GLN A 5 3.060 11.901 6.652 1.00 0.46 C ATOM 72 OE1 GLN A 5 2.355 12.812 6.237 1.00 1.02 O ATOM 73 NE2 GLN A 5 2.781 10.623 6.382 1.00 0.45 N ATOM 0 H GLN A 5 5.427 11.394 10.609 1.00 0.38 H new ATOM 0 HA GLN A 5 3.546 9.944 8.842 1.00 0.37 H new ATOM 0 HB2 GLN A 5 6.150 11.358 8.118 1.00 0.49 H new ATOM 0 HB3 GLN A 5 5.214 10.340 7.041 1.00 0.49 H new ATOM 0 HG2 GLN A 5 4.009 12.792 8.350 1.00 0.64 H new ATOM 0 HG3 GLN A 5 4.934 12.909 6.866 1.00 0.64 H new ATOM 0 HE21 GLN A 5 3.385 9.883 6.740 1.00 0.45 H new ATOM 0 HE22 GLN A 5 1.964 10.387 5.818 1.00 0.45 H new ATOM 82 N LYS A 6 5.199 7.959 8.944 1.00 0.36 N ATOM 83 CA LYS A 6 6.202 6.919 8.818 1.00 0.37 C ATOM 84 C LYS A 6 6.015 6.203 7.488 1.00 0.33 C ATOM 85 O LYS A 6 4.943 6.265 6.879 1.00 0.29 O ATOM 86 CB LYS A 6 6.154 5.936 9.993 1.00 0.43 C ATOM 87 CG LYS A 6 6.613 6.623 11.281 1.00 0.88 C ATOM 88 CD LYS A 6 6.916 5.592 12.367 1.00 1.29 C ATOM 89 CE LYS A 6 7.291 6.326 13.662 1.00 2.34 C ATOM 90 NZ LYS A 6 7.781 5.399 14.699 1.00 3.25 N ATOM 0 H LYS A 6 4.274 7.686 8.613 1.00 0.36 H new ATOM 0 HA LYS A 6 7.189 7.380 8.842 1.00 0.37 H new ATOM 0 HB2 LYS A 6 5.140 5.557 10.117 1.00 0.43 H new ATOM 0 HB3 LYS A 6 6.792 5.077 9.784 1.00 0.43 H new ATOM 0 HG2 LYS A 6 7.502 7.221 11.083 1.00 0.88 H new ATOM 0 HG3 LYS A 6 5.840 7.308 11.629 1.00 0.88 H new ATOM 0 HD2 LYS A 6 6.048 4.954 12.534 1.00 1.29 H new ATOM 0 HD3 LYS A 6 7.733 4.943 12.052 1.00 1.29 H new ATOM 0 HE2 LYS A 6 8.059 7.070 13.448 1.00 2.34 H new ATOM 0 HE3 LYS A 6 6.421 6.865 14.039 1.00 2.34 H new ATOM 0 HZ1 LYS A 6 8.023 5.935 15.557 1.00 3.25 H new ATOM 0 HZ2 LYS A 6 7.040 4.705 14.922 1.00 3.25 H new ATOM 0 HZ3 LYS A 6 8.626 4.903 14.350 1.00 3.25 H new ATOM 104 N GLU A 7 7.096 5.553 7.068 1.00 0.37 N ATOM 105 CA GLU A 7 7.316 4.920 5.798 1.00 0.32 C ATOM 106 C GLU A 7 7.387 3.437 6.097 1.00 0.38 C ATOM 107 O GLU A 7 8.409 2.929 6.559 1.00 0.61 O ATOM 108 CB GLU A 7 8.642 5.397 5.179 1.00 0.37 C ATOM 109 CG GLU A 7 8.995 6.870 5.442 1.00 0.43 C ATOM 110 CD GLU A 7 9.657 7.139 6.799 1.00 0.58 C ATOM 111 OE1 GLU A 7 9.509 6.293 7.712 1.00 0.86 O ATOM 112 OE2 GLU A 7 10.294 8.208 6.902 1.00 1.31 O ATOM 0 H GLU A 7 7.909 5.454 7.676 1.00 0.37 H new ATOM 0 HA GLU A 7 6.526 5.159 5.087 1.00 0.32 H new ATOM 0 HB2 GLU A 7 9.449 4.773 5.563 1.00 0.37 H new ATOM 0 HB3 GLU A 7 8.600 5.237 4.102 1.00 0.37 H new ATOM 0 HG2 GLU A 7 9.663 7.216 4.653 1.00 0.43 H new ATOM 0 HG3 GLU A 7 8.085 7.465 5.373 1.00 0.43 H new ATOM 119 N ILE A 8 6.300 2.717 5.861 1.00 0.34 N ATOM 120 CA ILE A 8 6.316 1.304 6.103 1.00 0.37 C ATOM 121 C ILE A 8 6.990 0.660 4.889 1.00 0.25 C ATOM 122 O ILE A 8 7.107 1.303 3.846 1.00 0.29 O ATOM 123 CB ILE A 8 4.879 0.843 6.329 1.00 0.60 C ATOM 124 CG1 ILE A 8 3.973 1.772 7.140 1.00 1.20 C ATOM 125 CG2 ILE A 8 4.904 -0.544 6.936 1.00 0.93 C ATOM 126 CD1 ILE A 8 4.455 1.850 8.574 1.00 1.92 C ATOM 0 H ILE A 8 5.418 3.089 5.509 1.00 0.34 H new ATOM 0 HA ILE A 8 6.876 1.017 6.993 1.00 0.37 H new ATOM 0 HB ILE A 8 4.417 0.852 5.342 1.00 0.60 H new ATOM 0 HG12 ILE A 8 3.969 2.767 6.695 1.00 1.20 H new ATOM 0 HG13 ILE A 8 2.947 1.406 7.113 1.00 1.20 H new ATOM 0 HG21 ILE A 8 3.883 -0.886 7.103 1.00 0.93 H new ATOM 0 HG22 ILE A 8 5.410 -1.230 6.256 1.00 0.93 H new ATOM 0 HG23 ILE A 8 5.437 -0.516 7.886 1.00 0.93 H new ATOM 0 HD11 ILE A 8 3.803 2.514 9.141 1.00 1.92 H new ATOM 0 HD12 ILE A 8 4.436 0.855 9.019 1.00 1.92 H new ATOM 0 HD13 ILE A 8 5.474 2.237 8.595 1.00 1.92 H new ATOM 138 N ALA A 9 7.467 -0.578 5.025 1.00 0.25 N ATOM 139 CA ALA A 9 8.022 -1.374 3.942 1.00 0.29 C ATOM 140 C ALA A 9 7.397 -2.759 4.050 1.00 0.34 C ATOM 141 O ALA A 9 7.483 -3.369 5.117 1.00 0.48 O ATOM 142 CB ALA A 9 9.545 -1.451 4.082 1.00 0.34 C ATOM 0 H ALA A 9 7.476 -1.065 5.921 1.00 0.25 H new ATOM 0 HA ALA A 9 7.805 -0.932 2.970 1.00 0.29 H new ATOM 0 HB1 ALA A 9 9.955 -2.049 3.268 1.00 0.34 H new ATOM 0 HB2 ALA A 9 9.965 -0.446 4.042 1.00 0.34 H new ATOM 0 HB3 ALA A 9 9.800 -1.913 5.036 1.00 0.34 H new ATOM 148 N MET A 10 6.728 -3.231 2.996 1.00 0.29 N ATOM 149 CA MET A 10 6.062 -4.527 2.982 1.00 0.33 C ATOM 150 C MET A 10 6.261 -5.196 1.623 1.00 0.28 C ATOM 151 O MET A 10 6.723 -4.558 0.676 1.00 0.28 O ATOM 152 CB MET A 10 4.569 -4.349 3.295 1.00 0.58 C ATOM 153 CG MET A 10 4.322 -4.032 4.773 1.00 1.30 C ATOM 154 SD MET A 10 2.595 -3.755 5.247 1.00 1.97 S ATOM 155 CE MET A 10 2.267 -2.195 4.397 1.00 1.81 C ATOM 0 H MET A 10 6.635 -2.716 2.121 1.00 0.29 H new ATOM 0 HA MET A 10 6.498 -5.169 3.747 1.00 0.33 H new ATOM 0 HB2 MET A 10 4.164 -3.545 2.680 1.00 0.58 H new ATOM 0 HB3 MET A 10 4.032 -5.258 3.025 1.00 0.58 H new ATOM 0 HG2 MET A 10 4.715 -4.854 5.371 1.00 1.30 H new ATOM 0 HG3 MET A 10 4.897 -3.144 5.035 1.00 1.30 H new ATOM 0 HE1 MET A 10 1.888 -1.464 5.111 1.00 1.81 H new ATOM 0 HE2 MET A 10 3.189 -1.822 3.952 1.00 1.81 H new ATOM 0 HE3 MET A 10 1.526 -2.356 3.614 1.00 1.81 H new ATOM 165 N GLN A 11 5.910 -6.480 1.546 1.00 0.30 N ATOM 166 CA GLN A 11 5.971 -7.295 0.344 1.00 0.31 C ATOM 167 C GLN A 11 4.608 -7.285 -0.346 1.00 0.34 C ATOM 168 O GLN A 11 3.579 -7.182 0.319 1.00 0.34 O ATOM 169 CB GLN A 11 6.382 -8.725 0.741 1.00 0.34 C ATOM 170 CG GLN A 11 7.901 -8.883 0.891 1.00 0.67 C ATOM 171 CD GLN A 11 8.610 -8.499 -0.397 1.00 1.24 C ATOM 172 OE1 GLN A 11 9.517 -7.674 -0.392 1.00 2.50 O ATOM 173 NE2 GLN A 11 8.117 -9.011 -1.519 1.00 0.80 N ATOM 0 H GLN A 11 5.562 -6.996 2.354 1.00 0.30 H new ATOM 0 HA GLN A 11 6.707 -6.896 -0.354 1.00 0.31 H new ATOM 0 HB2 GLN A 11 5.898 -8.990 1.681 1.00 0.34 H new ATOM 0 HB3 GLN A 11 6.020 -9.425 -0.012 1.00 0.34 H new ATOM 0 HG2 GLN A 11 8.258 -8.257 1.709 1.00 0.67 H new ATOM 0 HG3 GLN A 11 8.141 -9.914 1.151 1.00 0.67 H new ATOM 0 HE21 GLN A 11 7.362 -9.695 -1.479 1.00 0.80 H new ATOM 0 HE22 GLN A 11 8.494 -8.720 -2.421 1.00 0.80 H new ATOM 182 N VAL A 12 4.591 -7.396 -1.676 1.00 0.53 N ATOM 183 CA VAL A 12 3.364 -7.443 -2.466 1.00 0.56 C ATOM 184 C VAL A 12 3.048 -8.897 -2.826 1.00 0.46 C ATOM 185 O VAL A 12 3.961 -9.687 -3.058 1.00 0.50 O ATOM 186 CB VAL A 12 3.525 -6.567 -3.721 1.00 0.69 C ATOM 187 CG1 VAL A 12 2.261 -6.595 -4.594 1.00 1.33 C ATOM 188 CG2 VAL A 12 3.806 -5.115 -3.314 1.00 1.12 C ATOM 0 H VAL A 12 5.440 -7.456 -2.239 1.00 0.53 H new ATOM 0 HA VAL A 12 2.528 -7.049 -1.889 1.00 0.56 H new ATOM 0 HB VAL A 12 4.359 -6.970 -4.296 1.00 0.69 H new ATOM 0 HG11 VAL A 12 2.411 -5.966 -5.471 1.00 1.33 H new ATOM 0 HG12 VAL A 12 2.061 -7.618 -4.912 1.00 1.33 H new ATOM 0 HG13 VAL A 12 1.414 -6.221 -4.019 1.00 1.33 H new ATOM 0 HG21 VAL A 12 3.919 -4.502 -4.208 1.00 1.12 H new ATOM 0 HG22 VAL A 12 2.976 -4.737 -2.717 1.00 1.12 H new ATOM 0 HG23 VAL A 12 4.724 -5.073 -2.727 1.00 1.12 H new ATOM 198 N SER A 13 1.761 -9.251 -2.892 1.00 0.45 N ATOM 199 CA SER A 13 1.281 -10.509 -3.438 1.00 0.46 C ATOM 200 C SER A 13 -0.057 -10.264 -4.140 1.00 0.55 C ATOM 201 O SER A 13 -0.574 -9.148 -4.147 1.00 0.63 O ATOM 202 CB SER A 13 1.172 -11.559 -2.328 1.00 0.61 C ATOM 203 OG SER A 13 0.799 -12.814 -2.873 1.00 1.73 O ATOM 0 H SER A 13 1.009 -8.649 -2.556 1.00 0.45 H new ATOM 0 HA SER A 13 1.985 -10.899 -4.173 1.00 0.46 H new ATOM 0 HB2 SER A 13 2.126 -11.649 -1.809 1.00 0.61 H new ATOM 0 HB3 SER A 13 0.436 -11.242 -1.589 1.00 0.61 H new ATOM 0 HG SER A 13 0.734 -13.477 -2.154 1.00 1.73 H new ATOM 209 N GLY A 14 -0.596 -11.321 -4.752 1.00 0.71 N ATOM 210 CA GLY A 14 -1.823 -11.278 -5.536 1.00 0.87 C ATOM 211 C GLY A 14 -1.753 -10.176 -6.592 1.00 1.05 C ATOM 212 O GLY A 14 -2.561 -9.251 -6.577 1.00 1.89 O ATOM 0 H GLY A 14 -0.178 -12.251 -4.712 1.00 0.71 H new ATOM 0 HA2 GLY A 14 -1.985 -12.241 -6.019 1.00 0.87 H new ATOM 0 HA3 GLY A 14 -2.674 -11.104 -4.878 1.00 0.87 H new ATOM 216 N MET A 15 -0.772 -10.275 -7.496 1.00 0.84 N ATOM 217 CA MET A 15 -0.458 -9.248 -8.478 1.00 0.91 C ATOM 218 C MET A 15 -0.392 -9.855 -9.878 1.00 1.09 C ATOM 219 O MET A 15 -0.057 -11.028 -10.025 1.00 1.23 O ATOM 220 CB MET A 15 0.859 -8.558 -8.075 1.00 0.84 C ATOM 221 CG MET A 15 2.117 -9.397 -8.340 1.00 0.90 C ATOM 222 SD MET A 15 2.827 -9.183 -9.994 1.00 1.64 S ATOM 223 CE MET A 15 4.015 -10.541 -10.008 1.00 2.13 C ATOM 0 H MET A 15 -0.165 -11.092 -7.561 1.00 0.84 H new ATOM 0 HA MET A 15 -1.244 -8.493 -8.501 1.00 0.91 H new ATOM 0 HB2 MET A 15 0.943 -7.616 -8.617 1.00 0.84 H new ATOM 0 HB3 MET A 15 0.817 -8.312 -7.014 1.00 0.84 H new ATOM 0 HG2 MET A 15 2.873 -9.140 -7.598 1.00 0.90 H new ATOM 0 HG3 MET A 15 1.874 -10.450 -8.196 1.00 0.90 H new ATOM 0 HE1 MET A 15 4.542 -10.553 -10.962 1.00 2.13 H new ATOM 0 HE2 MET A 15 4.732 -10.405 -9.199 1.00 2.13 H new ATOM 0 HE3 MET A 15 3.489 -11.486 -9.872 1.00 2.13 H new ATOM 233 N THR A 16 -0.701 -9.046 -10.893 1.00 1.25 N ATOM 234 CA THR A 16 -0.472 -9.361 -12.295 1.00 1.47 C ATOM 235 C THR A 16 0.835 -8.714 -12.748 1.00 1.03 C ATOM 236 O THR A 16 1.708 -9.400 -13.275 1.00 1.33 O ATOM 237 CB THR A 16 -1.644 -8.835 -13.132 1.00 2.18 C ATOM 238 OG1 THR A 16 -2.153 -7.660 -12.528 1.00 2.41 O ATOM 239 CG2 THR A 16 -2.752 -9.884 -13.250 1.00 3.12 C ATOM 0 H THR A 16 -1.129 -8.130 -10.754 1.00 1.25 H new ATOM 0 HA THR A 16 -0.400 -10.440 -12.428 1.00 1.47 H new ATOM 0 HB THR A 16 -1.286 -8.612 -14.137 1.00 2.18 H new ATOM 0 HG1 THR A 16 -2.206 -6.945 -13.196 1.00 2.41 H new ATOM 0 HG21 THR A 16 -3.570 -9.483 -13.849 1.00 3.12 H new ATOM 0 HG22 THR A 16 -2.356 -10.779 -13.729 1.00 3.12 H new ATOM 0 HG23 THR A 16 -3.120 -10.138 -12.256 1.00 3.12 H new ATOM 247 N CYS A 17 0.958 -7.393 -12.571 1.00 0.99 N ATOM 248 CA CYS A 17 2.098 -6.637 -13.062 1.00 1.44 C ATOM 249 C CYS A 17 2.392 -5.421 -12.184 1.00 1.54 C ATOM 250 O CYS A 17 1.555 -4.970 -11.392 1.00 2.43 O ATOM 251 CB CYS A 17 1.844 -6.226 -14.520 1.00 1.67 C ATOM 252 SG CYS A 17 0.505 -5.004 -14.632 1.00 1.84 S ATOM 0 H CYS A 17 0.266 -6.825 -12.082 1.00 0.99 H new ATOM 0 HA CYS A 17 2.983 -7.272 -13.019 1.00 1.44 H new ATOM 0 HB2 CYS A 17 2.756 -5.810 -14.948 1.00 1.67 H new ATOM 0 HB3 CYS A 17 1.587 -7.106 -15.110 1.00 1.67 H new ATOM 0 HG CYS A 17 0.318 -4.678 -15.876 1.00 1.84 H new ATOM 257 N ALA A 18 3.583 -4.849 -12.389 1.00 1.30 N ATOM 258 CA ALA A 18 4.058 -3.632 -11.745 1.00 1.33 C ATOM 259 C ALA A 18 3.371 -2.389 -12.324 1.00 1.07 C ATOM 260 O ALA A 18 4.030 -1.407 -12.657 1.00 1.80 O ATOM 261 CB ALA A 18 5.580 -3.554 -11.908 1.00 1.77 C ATOM 0 H ALA A 18 4.267 -5.242 -13.036 1.00 1.30 H new ATOM 0 HA ALA A 18 3.807 -3.662 -10.685 1.00 1.33 H new ATOM 0 HB1 ALA A 18 5.951 -2.647 -11.430 1.00 1.77 H new ATOM 0 HB2 ALA A 18 6.041 -4.425 -11.441 1.00 1.77 H new ATOM 0 HB3 ALA A 18 5.832 -3.535 -12.968 1.00 1.77 H new ATOM 267 N ALA A 19 2.042 -2.425 -12.430 1.00 0.73 N ATOM 268 CA ALA A 19 1.214 -1.313 -12.870 1.00 0.56 C ATOM 269 C ALA A 19 -0.086 -1.345 -12.076 1.00 0.44 C ATOM 270 O ALA A 19 -0.455 -0.358 -11.443 1.00 0.54 O ATOM 271 CB ALA A 19 0.968 -1.380 -14.381 1.00 0.61 C ATOM 0 H ALA A 19 1.499 -3.258 -12.203 1.00 0.73 H new ATOM 0 HA ALA A 19 1.721 -0.366 -12.685 1.00 0.56 H new ATOM 0 HB1 ALA A 19 0.346 -0.538 -14.686 1.00 0.61 H new ATOM 0 HB2 ALA A 19 1.922 -1.337 -14.907 1.00 0.61 H new ATOM 0 HB3 ALA A 19 0.461 -2.313 -14.626 1.00 0.61 H new ATOM 277 N CYS A 20 -0.771 -2.491 -12.039 1.00 0.38 N ATOM 278 CA CYS A 20 -1.869 -2.658 -11.095 1.00 0.36 C ATOM 279 C CYS A 20 -1.352 -2.484 -9.664 1.00 0.33 C ATOM 280 O CYS A 20 -1.996 -1.846 -8.830 1.00 0.40 O ATOM 281 CB CYS A 20 -2.565 -4.010 -11.308 1.00 0.44 C ATOM 282 SG CYS A 20 -2.978 -4.299 -13.056 1.00 1.18 S ATOM 0 H CYS A 20 -0.588 -3.296 -12.638 1.00 0.38 H new ATOM 0 HA CYS A 20 -2.621 -1.889 -11.270 1.00 0.36 H new ATOM 0 HB2 CYS A 20 -1.917 -4.811 -10.952 1.00 0.44 H new ATOM 0 HB3 CYS A 20 -3.476 -4.047 -10.710 1.00 0.44 H new ATOM 0 HG CYS A 20 -1.893 -4.571 -13.719 1.00 1.18 H new ATOM 287 N ALA A 21 -0.134 -2.965 -9.408 1.00 0.32 N ATOM 288 CA ALA A 21 0.535 -2.752 -8.136 1.00 0.36 C ATOM 289 C ALA A 21 0.734 -1.260 -7.804 1.00 0.36 C ATOM 290 O ALA A 21 0.917 -0.916 -6.641 1.00 0.48 O ATOM 291 CB ALA A 21 1.856 -3.524 -8.134 1.00 0.48 C ATOM 0 H ALA A 21 0.409 -3.510 -10.077 1.00 0.32 H new ATOM 0 HA ALA A 21 -0.106 -3.134 -7.342 1.00 0.36 H new ATOM 0 HB1 ALA A 21 2.366 -3.370 -7.183 1.00 0.48 H new ATOM 0 HB2 ALA A 21 1.657 -4.587 -8.271 1.00 0.48 H new ATOM 0 HB3 ALA A 21 2.488 -3.166 -8.946 1.00 0.48 H new ATOM 297 N ALA A 22 0.720 -0.360 -8.796 1.00 0.30 N ATOM 298 CA ALA A 22 0.686 1.077 -8.549 1.00 0.32 C ATOM 299 C ALA A 22 -0.703 1.493 -8.075 1.00 0.34 C ATOM 300 O ALA A 22 -0.847 2.200 -7.078 1.00 0.39 O ATOM 301 CB ALA A 22 1.070 1.845 -9.815 1.00 0.33 C ATOM 0 H ALA A 22 0.732 -0.611 -9.785 1.00 0.30 H new ATOM 0 HA ALA A 22 1.409 1.316 -7.769 1.00 0.32 H new ATOM 0 HB1 ALA A 22 1.040 2.916 -9.614 1.00 0.33 H new ATOM 0 HB2 ALA A 22 2.077 1.561 -10.121 1.00 0.33 H new ATOM 0 HB3 ALA A 22 0.367 1.606 -10.613 1.00 0.33 H new ATOM 307 N ARG A 23 -1.729 1.081 -8.827 1.00 0.34 N ATOM 308 CA ARG A 23 -3.111 1.463 -8.573 1.00 0.37 C ATOM 309 C ARG A 23 -3.488 1.231 -7.113 1.00 0.37 C ATOM 310 O ARG A 23 -4.121 2.100 -6.517 1.00 0.37 O ATOM 311 CB ARG A 23 -4.066 0.745 -9.537 1.00 0.41 C ATOM 312 CG ARG A 23 -4.203 1.536 -10.845 1.00 0.73 C ATOM 313 CD ARG A 23 -4.862 0.701 -11.951 1.00 1.46 C ATOM 314 NE ARG A 23 -3.845 0.075 -12.813 1.00 2.50 N ATOM 315 CZ ARG A 23 -3.937 -1.117 -13.426 1.00 3.97 C ATOM 316 NH1 ARG A 23 -5.050 -1.851 -13.339 1.00 4.64 N ATOM 317 NH2 ARG A 23 -2.892 -1.592 -14.105 1.00 5.65 N ATOM 0 H ARG A 23 -1.616 0.468 -9.634 1.00 0.34 H new ATOM 0 HA ARG A 23 -3.208 2.532 -8.760 1.00 0.37 H new ATOM 0 HB2 ARG A 23 -3.693 -0.257 -9.748 1.00 0.41 H new ATOM 0 HB3 ARG A 23 -5.044 0.630 -9.071 1.00 0.41 H new ATOM 0 HG2 ARG A 23 -4.795 2.434 -10.666 1.00 0.73 H new ATOM 0 HG3 ARG A 23 -3.218 1.864 -11.176 1.00 0.73 H new ATOM 0 HD2 ARG A 23 -5.491 -0.070 -11.505 1.00 1.46 H new ATOM 0 HD3 ARG A 23 -5.513 1.335 -12.552 1.00 1.46 H new ATOM 0 HE ARG A 23 -2.983 0.600 -12.960 1.00 2.50 H new ATOM 0 HH11 ARG A 23 -5.846 -1.508 -12.801 1.00 4.64 H new ATOM 0 HH12 ARG A 23 -5.104 -2.754 -13.810 1.00 4.64 H new ATOM 0 HH21 ARG A 23 -2.029 -1.051 -14.157 1.00 5.65 H new ATOM 0 HH22 ARG A 23 -2.956 -2.496 -14.572 1.00 5.65 H new ATOM 331 N ILE A 24 -3.082 0.104 -6.519 1.00 0.40 N ATOM 332 CA ILE A 24 -3.377 -0.120 -5.107 1.00 0.44 C ATOM 333 C ILE A 24 -2.810 0.991 -4.223 1.00 0.39 C ATOM 334 O ILE A 24 -3.555 1.612 -3.473 1.00 0.46 O ATOM 335 CB ILE A 24 -3.021 -1.528 -4.624 1.00 0.53 C ATOM 336 CG1 ILE A 24 -1.508 -1.703 -4.508 1.00 0.52 C ATOM 337 CG2 ILE A 24 -3.672 -2.549 -5.554 1.00 0.63 C ATOM 338 CD1 ILE A 24 -1.027 -3.146 -4.380 1.00 0.52 C ATOM 0 H ILE A 24 -2.564 -0.644 -6.980 1.00 0.40 H new ATOM 0 HA ILE A 24 -4.461 -0.066 -5.008 1.00 0.44 H new ATOM 0 HB ILE A 24 -3.413 -1.690 -3.620 1.00 0.53 H new ATOM 0 HG12 ILE A 24 -1.039 -1.257 -5.385 1.00 0.52 H new ATOM 0 HG13 ILE A 24 -1.159 -1.143 -3.641 1.00 0.52 H new ATOM 0 HG21 ILE A 24 -3.425 -3.556 -5.219 1.00 0.63 H new ATOM 0 HG22 ILE A 24 -4.754 -2.417 -5.539 1.00 0.63 H new ATOM 0 HG23 ILE A 24 -3.303 -2.404 -6.569 1.00 0.63 H new ATOM 0 HD11 ILE A 24 0.060 -3.162 -4.304 1.00 0.52 H new ATOM 0 HD12 ILE A 24 -1.460 -3.596 -3.487 1.00 0.52 H new ATOM 0 HD13 ILE A 24 -1.337 -3.712 -5.258 1.00 0.52 H new ATOM 350 N GLU A 25 -1.513 1.275 -4.338 1.00 0.34 N ATOM 351 CA GLU A 25 -0.848 2.305 -3.556 1.00 0.33 C ATOM 352 C GLU A 25 -1.510 3.659 -3.775 1.00 0.28 C ATOM 353 O GLU A 25 -1.751 4.396 -2.828 1.00 0.27 O ATOM 354 CB GLU A 25 0.638 2.365 -3.938 1.00 0.32 C ATOM 355 CG GLU A 25 1.436 1.281 -3.212 1.00 0.54 C ATOM 356 CD GLU A 25 1.668 1.651 -1.752 1.00 1.75 C ATOM 357 OE1 GLU A 25 2.636 2.406 -1.516 1.00 3.35 O ATOM 358 OE2 GLU A 25 0.868 1.201 -0.906 1.00 2.47 O ATOM 0 H GLU A 25 -0.892 0.789 -4.985 1.00 0.34 H new ATOM 0 HA GLU A 25 -0.934 2.055 -2.499 1.00 0.33 H new ATOM 0 HB2 GLU A 25 0.745 2.240 -5.015 1.00 0.32 H new ATOM 0 HB3 GLU A 25 1.042 3.346 -3.689 1.00 0.32 H new ATOM 0 HG2 GLU A 25 0.901 0.333 -3.269 1.00 0.54 H new ATOM 0 HG3 GLU A 25 2.395 1.137 -3.710 1.00 0.54 H new ATOM 365 N LYS A 26 -1.777 4.015 -5.029 1.00 0.30 N ATOM 366 CA LYS A 26 -2.280 5.343 -5.357 1.00 0.33 C ATOM 367 C LYS A 26 -3.737 5.503 -4.916 1.00 0.32 C ATOM 368 O LYS A 26 -4.112 6.538 -4.372 1.00 0.41 O ATOM 369 CB LYS A 26 -2.034 5.682 -6.832 1.00 0.44 C ATOM 370 CG LYS A 26 -0.554 5.562 -7.244 1.00 0.74 C ATOM 371 CD LYS A 26 0.420 6.416 -6.411 1.00 1.18 C ATOM 372 CE LYS A 26 1.859 6.211 -6.912 1.00 0.93 C ATOM 373 NZ LYS A 26 2.846 7.002 -6.145 1.00 2.15 N ATOM 0 H LYS A 26 -1.653 3.401 -5.834 1.00 0.30 H new ATOM 0 HA LYS A 26 -1.716 6.083 -4.790 1.00 0.33 H new ATOM 0 HB2 LYS A 26 -2.633 5.018 -7.455 1.00 0.44 H new ATOM 0 HB3 LYS A 26 -2.377 6.698 -7.027 1.00 0.44 H new ATOM 0 HG2 LYS A 26 -0.254 4.517 -7.169 1.00 0.74 H new ATOM 0 HG3 LYS A 26 -0.459 5.846 -8.292 1.00 0.74 H new ATOM 0 HD2 LYS A 26 0.147 7.469 -6.484 1.00 1.18 H new ATOM 0 HD3 LYS A 26 0.350 6.141 -5.359 1.00 1.18 H new ATOM 0 HE2 LYS A 26 2.116 5.154 -6.846 1.00 0.93 H new ATOM 0 HE3 LYS A 26 1.916 6.488 -7.965 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 3.741 7.048 -6.674 1.00 2.15 H new ATOM 0 HZ2 LYS A 26 2.481 7.965 -5.999 1.00 2.15 H new ATOM 0 HZ3 LYS A 26 3.011 6.551 -5.223 1.00 2.15 H new ATOM 387 N GLY A 27 -4.556 4.466 -5.102 1.00 0.32 N ATOM 388 CA GLY A 27 -5.890 4.422 -4.529 1.00 0.35 C ATOM 389 C GLY A 27 -5.802 4.522 -3.009 1.00 0.41 C ATOM 390 O GLY A 27 -6.528 5.288 -2.379 1.00 0.65 O ATOM 0 H GLY A 27 -4.310 3.642 -5.651 1.00 0.32 H new ATOM 0 HA2 GLY A 27 -6.492 5.241 -4.922 1.00 0.35 H new ATOM 0 HA3 GLY A 27 -6.388 3.495 -4.814 1.00 0.35 H new ATOM 394 N LEU A 28 -4.885 3.768 -2.407 1.00 0.33 N ATOM 395 CA LEU A 28 -4.701 3.768 -0.963 1.00 0.39 C ATOM 396 C LEU A 28 -4.286 5.174 -0.494 1.00 0.43 C ATOM 397 O LEU A 28 -4.764 5.681 0.517 1.00 0.57 O ATOM 398 CB LEU A 28 -3.744 2.620 -0.601 1.00 0.45 C ATOM 399 CG LEU A 28 -3.438 2.407 0.886 1.00 0.64 C ATOM 400 CD1 LEU A 28 -2.240 3.266 1.287 1.00 2.37 C ATOM 401 CD2 LEU A 28 -4.652 2.635 1.793 1.00 2.02 C ATOM 0 H LEU A 28 -4.252 3.143 -2.907 1.00 0.33 H new ATOM 0 HA LEU A 28 -5.624 3.567 -0.418 1.00 0.39 H new ATOM 0 HB2 LEU A 28 -4.162 1.694 -0.996 1.00 0.45 H new ATOM 0 HB3 LEU A 28 -2.800 2.790 -1.119 1.00 0.45 H new ATOM 0 HG LEU A 28 -3.182 1.357 1.029 1.00 0.64 H new ATOM 0 HD11 LEU A 28 -2.022 3.115 2.344 1.00 2.37 H new ATOM 0 HD12 LEU A 28 -1.372 2.980 0.693 1.00 2.37 H new ATOM 0 HD13 LEU A 28 -2.470 4.317 1.110 1.00 2.37 H new ATOM 0 HD21 LEU A 28 -4.367 2.468 2.832 1.00 2.02 H new ATOM 0 HD22 LEU A 28 -5.008 3.659 1.675 1.00 2.02 H new ATOM 0 HD23 LEU A 28 -5.446 1.941 1.519 1.00 2.02 H new ATOM 413 N LYS A 29 -3.465 5.867 -1.279 1.00 0.37 N ATOM 414 CA LYS A 29 -3.074 7.248 -1.033 1.00 0.48 C ATOM 415 C LYS A 29 -4.269 8.192 -0.859 1.00 0.55 C ATOM 416 O LYS A 29 -4.131 9.252 -0.253 1.00 0.78 O ATOM 417 CB LYS A 29 -2.220 7.737 -2.204 1.00 0.53 C ATOM 418 CG LYS A 29 -1.163 8.728 -1.738 1.00 0.85 C ATOM 419 CD LYS A 29 -0.676 9.547 -2.943 1.00 1.24 C ATOM 420 CE LYS A 29 -1.397 10.900 -3.012 1.00 1.48 C ATOM 421 NZ LYS A 29 -0.829 11.864 -2.046 1.00 2.40 N ATOM 0 H LYS A 29 -3.045 5.474 -2.121 1.00 0.37 H new ATOM 0 HA LYS A 29 -2.516 7.263 -0.097 1.00 0.48 H new ATOM 0 HB2 LYS A 29 -1.738 6.887 -2.686 1.00 0.53 H new ATOM 0 HB3 LYS A 29 -2.859 8.207 -2.952 1.00 0.53 H new ATOM 0 HG2 LYS A 29 -1.577 9.389 -0.977 1.00 0.85 H new ATOM 0 HG3 LYS A 29 -0.327 8.199 -1.280 1.00 0.85 H new ATOM 0 HD2 LYS A 29 0.400 9.707 -2.869 1.00 1.24 H new ATOM 0 HD3 LYS A 29 -0.852 8.989 -3.863 1.00 1.24 H new ATOM 0 HE2 LYS A 29 -1.318 11.305 -4.021 1.00 1.48 H new ATOM 0 HE3 LYS A 29 -2.458 10.759 -2.807 1.00 1.48 H new ATOM 0 HZ1 LYS A 29 -1.327 12.773 -2.129 1.00 2.40 H new ATOM 0 HZ2 LYS A 29 -0.942 11.495 -1.080 1.00 2.40 H new ATOM 0 HZ3 LYS A 29 0.182 12.003 -2.248 1.00 2.40 H new ATOM 435 N ARG A 30 -5.423 7.841 -1.433 1.00 0.45 N ATOM 436 CA ARG A 30 -6.639 8.640 -1.374 1.00 0.53 C ATOM 437 C ARG A 30 -7.407 8.416 -0.062 1.00 0.53 C ATOM 438 O ARG A 30 -8.455 9.030 0.129 1.00 0.58 O ATOM 439 CB ARG A 30 -7.496 8.304 -2.615 1.00 0.58 C ATOM 440 CG ARG A 30 -7.583 9.439 -3.644 1.00 0.82 C ATOM 441 CD ARG A 30 -8.893 10.219 -3.499 1.00 1.40 C ATOM 442 NE ARG A 30 -9.005 11.236 -4.560 1.00 1.81 N ATOM 443 CZ ARG A 30 -10.154 11.760 -5.019 1.00 2.58 C ATOM 444 NH1 ARG A 30 -11.317 11.435 -4.445 1.00 3.48 N ATOM 445 NH2 ARG A 30 -10.132 12.607 -6.056 1.00 3.03 N ATOM 0 H ARG A 30 -5.535 6.975 -1.961 1.00 0.45 H new ATOM 0 HA ARG A 30 -6.384 9.700 -1.386 1.00 0.53 H new ATOM 0 HB2 ARG A 30 -7.082 7.420 -3.100 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -8.504 8.047 -2.288 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -6.738 10.115 -3.516 1.00 0.82 H new ATOM 0 HG3 ARG A 30 -7.512 9.027 -4.651 1.00 0.82 H new ATOM 0 HD2 ARG A 30 -9.739 9.534 -3.552 1.00 1.40 H new ATOM 0 HD3 ARG A 30 -8.932 10.699 -2.521 1.00 1.40 H new ATOM 0 HE ARG A 30 -8.138 11.570 -4.981 1.00 1.81 H new ATOM 0 HH11 ARG A 30 -11.333 10.788 -3.657 1.00 3.48 H new ATOM 0 HH12 ARG A 30 -12.188 11.834 -4.795 1.00 3.48 H new ATOM 0 HH21 ARG A 30 -9.245 12.853 -6.495 1.00 3.03 H new ATOM 0 HH22 ARG A 30 -11.003 13.006 -6.407 1.00 3.03 H new ATOM 459 N MET A 31 -6.923 7.542 0.829 1.00 0.53 N ATOM 460 CA MET A 31 -7.606 7.164 2.060 1.00 0.50 C ATOM 461 C MET A 31 -7.121 8.044 3.221 1.00 0.39 C ATOM 462 O MET A 31 -5.969 8.480 3.220 1.00 0.44 O ATOM 463 CB MET A 31 -7.335 5.681 2.345 1.00 0.65 C ATOM 464 CG MET A 31 -7.667 4.796 1.136 1.00 2.06 C ATOM 465 SD MET A 31 -9.411 4.631 0.699 1.00 3.64 S ATOM 466 CE MET A 31 -9.212 3.663 -0.814 1.00 4.65 C ATOM 0 H MET A 31 -6.026 7.071 0.706 1.00 0.53 H new ATOM 0 HA MET A 31 -8.680 7.314 1.951 1.00 0.50 H new ATOM 0 HB2 MET A 31 -6.287 5.549 2.615 1.00 0.65 H new ATOM 0 HB3 MET A 31 -7.928 5.362 3.202 1.00 0.65 H new ATOM 0 HG2 MET A 31 -7.136 5.192 0.270 1.00 2.06 H new ATOM 0 HG3 MET A 31 -7.269 3.799 1.326 1.00 2.06 H new ATOM 0 HE1 MET A 31 -10.189 3.333 -1.166 1.00 4.65 H new ATOM 0 HE2 MET A 31 -8.739 4.278 -1.580 1.00 4.65 H new ATOM 0 HE3 MET A 31 -8.588 2.793 -0.610 1.00 4.65 H new ATOM 476 N PRO A 32 -7.978 8.317 4.220 1.00 0.44 N ATOM 477 CA PRO A 32 -7.635 9.198 5.326 1.00 0.42 C ATOM 478 C PRO A 32 -6.400 8.695 6.082 1.00 0.42 C ATOM 479 O PRO A 32 -6.192 7.491 6.233 1.00 0.55 O ATOM 480 CB PRO A 32 -8.886 9.266 6.212 1.00 0.53 C ATOM 481 CG PRO A 32 -9.653 7.990 5.860 1.00 0.65 C ATOM 482 CD PRO A 32 -9.325 7.795 4.380 1.00 0.61 C ATOM 0 HA PRO A 32 -7.360 10.194 4.978 1.00 0.42 H new ATOM 0 HB2 PRO A 32 -8.626 9.297 7.270 1.00 0.53 H new ATOM 0 HB3 PRO A 32 -9.476 10.158 6.003 1.00 0.53 H new ATOM 0 HG2 PRO A 32 -9.326 7.142 6.462 1.00 0.65 H new ATOM 0 HG3 PRO A 32 -10.724 8.103 6.025 1.00 0.65 H new ATOM 0 HD2 PRO A 32 -9.376 6.743 4.100 1.00 0.61 H new ATOM 0 HD3 PRO A 32 -10.033 8.328 3.745 1.00 0.61 H new ATOM 490 N GLY A 33 -5.557 9.629 6.530 1.00 0.46 N ATOM 491 CA GLY A 33 -4.345 9.326 7.276 1.00 0.50 C ATOM 492 C GLY A 33 -3.149 9.023 6.372 1.00 0.43 C ATOM 493 O GLY A 33 -2.005 9.236 6.777 1.00 0.52 O ATOM 0 H GLY A 33 -5.704 10.627 6.380 1.00 0.46 H new ATOM 0 HA2 GLY A 33 -4.101 10.170 7.922 1.00 0.50 H new ATOM 0 HA3 GLY A 33 -4.529 8.470 7.926 1.00 0.50 H new ATOM 497 N VAL A 34 -3.384 8.522 5.153 1.00 0.40 N ATOM 498 CA VAL A 34 -2.294 8.289 4.222 1.00 0.33 C ATOM 499 C VAL A 34 -1.920 9.609 3.565 1.00 0.38 C ATOM 500 O VAL A 34 -2.797 10.398 3.216 1.00 0.68 O ATOM 501 CB VAL A 34 -2.638 7.219 3.179 1.00 0.40 C ATOM 502 CG1 VAL A 34 -1.368 6.894 2.377 1.00 0.34 C ATOM 503 CG2 VAL A 34 -3.169 5.953 3.864 1.00 0.57 C ATOM 0 H VAL A 34 -4.309 8.276 4.800 1.00 0.40 H new ATOM 0 HA VAL A 34 -1.438 7.901 4.775 1.00 0.33 H new ATOM 0 HB VAL A 34 -3.415 7.593 2.512 1.00 0.40 H new ATOM 0 HG11 VAL A 34 -1.594 6.134 1.629 1.00 0.34 H new ATOM 0 HG12 VAL A 34 -1.011 7.796 1.880 1.00 0.34 H new ATOM 0 HG13 VAL A 34 -0.597 6.521 3.052 1.00 0.34 H new ATOM 0 HG21 VAL A 34 -3.408 5.204 3.109 1.00 0.57 H new ATOM 0 HG22 VAL A 34 -2.409 5.558 4.539 1.00 0.57 H new ATOM 0 HG23 VAL A 34 -4.067 6.196 4.432 1.00 0.57 H new ATOM 513 N THR A 35 -0.619 9.831 3.381 1.00 0.28 N ATOM 514 CA THR A 35 -0.122 11.030 2.739 1.00 0.36 C ATOM 515 C THR A 35 0.369 10.681 1.347 1.00 0.33 C ATOM 516 O THR A 35 -0.188 11.201 0.381 1.00 0.56 O ATOM 517 CB THR A 35 0.911 11.694 3.632 1.00 0.62 C ATOM 518 OG1 THR A 35 0.221 12.070 4.805 1.00 1.36 O ATOM 519 CG2 THR A 35 1.563 12.918 2.987 1.00 0.64 C ATOM 0 H THR A 35 0.111 9.182 3.674 1.00 0.28 H new ATOM 0 HA THR A 35 -0.910 11.771 2.603 1.00 0.36 H new ATOM 0 HB THR A 35 1.729 11.001 3.829 1.00 0.62 H new ATOM 0 HG1 THR A 35 0.862 12.397 5.471 1.00 1.36 H new ATOM 0 HG21 THR A 35 2.291 13.347 3.675 1.00 0.64 H new ATOM 0 HG22 THR A 35 2.065 12.620 2.067 1.00 0.64 H new ATOM 0 HG23 THR A 35 0.798 13.660 2.759 1.00 0.64 H new ATOM 527 N ASP A 36 1.357 9.791 1.218 1.00 0.26 N ATOM 528 CA ASP A 36 1.891 9.390 -0.064 1.00 0.30 C ATOM 529 C ASP A 36 2.176 7.893 -0.038 1.00 0.25 C ATOM 530 O ASP A 36 2.112 7.261 1.012 1.00 0.23 O ATOM 531 CB ASP A 36 3.081 10.273 -0.446 1.00 0.47 C ATOM 532 CG ASP A 36 2.623 11.583 -1.092 1.00 1.14 C ATOM 533 OD1 ASP A 36 1.774 11.519 -2.016 1.00 1.81 O ATOM 534 OD2 ASP A 36 3.095 12.642 -0.636 1.00 2.58 O ATOM 0 H ASP A 36 1.804 9.332 2.012 1.00 0.26 H new ATOM 0 HA ASP A 36 1.165 9.546 -0.862 1.00 0.30 H new ATOM 0 HB2 ASP A 36 3.673 10.492 0.443 1.00 0.47 H new ATOM 0 HB3 ASP A 36 3.729 9.733 -1.136 1.00 0.47 H new ATOM 539 N ALA A 37 2.385 7.299 -1.209 1.00 0.28 N ATOM 540 CA ALA A 37 2.424 5.852 -1.373 1.00 0.26 C ATOM 541 C ALA A 37 3.228 5.506 -2.620 1.00 0.30 C ATOM 542 O ALA A 37 3.190 6.269 -3.592 1.00 0.41 O ATOM 543 CB ALA A 37 0.986 5.331 -1.437 1.00 0.39 C ATOM 0 H ALA A 37 2.533 7.814 -2.077 1.00 0.28 H new ATOM 0 HA ALA A 37 2.919 5.371 -0.529 1.00 0.26 H new ATOM 0 HB1 ALA A 37 0.997 4.248 -1.560 1.00 0.39 H new ATOM 0 HB2 ALA A 37 0.465 5.587 -0.514 1.00 0.39 H new ATOM 0 HB3 ALA A 37 0.471 5.787 -2.283 1.00 0.39 H new ATOM 549 N ASN A 38 3.992 4.409 -2.598 1.00 0.26 N ATOM 550 CA ASN A 38 5.004 4.105 -3.598 1.00 0.31 C ATOM 551 C ASN A 38 5.167 2.594 -3.686 1.00 0.32 C ATOM 552 O ASN A 38 5.648 1.951 -2.753 1.00 0.42 O ATOM 553 CB ASN A 38 6.376 4.747 -3.299 1.00 0.39 C ATOM 554 CG ASN A 38 6.362 5.926 -2.337 1.00 0.41 C ATOM 555 OD1 ASN A 38 6.490 7.077 -2.741 1.00 0.75 O ATOM 556 ND2 ASN A 38 6.226 5.636 -1.049 1.00 0.53 N ATOM 0 H ASN A 38 3.918 3.699 -1.869 1.00 0.26 H new ATOM 0 HA ASN A 38 4.660 4.527 -4.542 1.00 0.31 H new ATOM 0 HB2 ASN A 38 7.034 3.979 -2.893 1.00 0.39 H new ATOM 0 HB3 ASN A 38 6.814 5.077 -4.241 1.00 0.39 H new ATOM 0 HD21 ASN A 38 6.225 6.384 -0.355 1.00 0.53 H new ATOM 0 HD22 ASN A 38 6.122 4.665 -0.753 1.00 0.53 H new ATOM 563 N VAL A 39 4.841 2.026 -4.845 1.00 0.29 N ATOM 564 CA VAL A 39 5.127 0.631 -5.097 1.00 0.29 C ATOM 565 C VAL A 39 6.591 0.541 -5.537 1.00 0.25 C ATOM 566 O VAL A 39 6.994 1.220 -6.479 1.00 0.65 O ATOM 567 CB VAL A 39 4.120 0.074 -6.115 1.00 0.47 C ATOM 568 CG1 VAL A 39 4.339 0.546 -7.560 1.00 0.66 C ATOM 569 CG2 VAL A 39 4.175 -1.447 -6.057 1.00 0.61 C ATOM 0 H VAL A 39 4.382 2.513 -5.615 1.00 0.29 H new ATOM 0 HA VAL A 39 5.009 0.009 -4.209 1.00 0.29 H new ATOM 0 HB VAL A 39 3.140 0.460 -5.833 1.00 0.47 H new ATOM 0 HG11 VAL A 39 3.582 0.102 -8.206 1.00 0.66 H new ATOM 0 HG12 VAL A 39 4.262 1.632 -7.604 1.00 0.66 H new ATOM 0 HG13 VAL A 39 5.329 0.239 -7.897 1.00 0.66 H new ATOM 0 HG21 VAL A 39 3.467 -1.864 -6.773 1.00 0.61 H new ATOM 0 HG22 VAL A 39 5.182 -1.784 -6.304 1.00 0.61 H new ATOM 0 HG23 VAL A 39 3.916 -1.782 -5.053 1.00 0.61 H new ATOM 579 N ASN A 40 7.399 -0.269 -4.848 1.00 0.31 N ATOM 580 CA ASN A 40 8.802 -0.484 -5.175 1.00 0.25 C ATOM 581 C ASN A 40 8.923 -1.900 -5.743 1.00 0.24 C ATOM 582 O ASN A 40 9.700 -2.745 -5.287 1.00 0.23 O ATOM 583 CB ASN A 40 9.641 -0.253 -3.912 1.00 0.31 C ATOM 584 CG ASN A 40 11.138 -0.375 -4.176 1.00 0.43 C ATOM 585 OD1 ASN A 40 11.581 -0.440 -5.319 1.00 0.54 O ATOM 586 ND2 ASN A 40 11.937 -0.386 -3.113 1.00 0.73 N ATOM 0 H ASN A 40 7.087 -0.800 -4.035 1.00 0.31 H new ATOM 0 HA ASN A 40 9.176 0.212 -5.926 1.00 0.25 H new ATOM 0 HB2 ASN A 40 9.425 0.738 -3.512 1.00 0.31 H new ATOM 0 HB3 ASN A 40 9.350 -0.975 -3.149 1.00 0.31 H new ATOM 0 HD21 ASN A 40 12.948 -0.450 -3.235 1.00 0.73 H new ATOM 0 HD22 ASN A 40 11.539 -0.331 -2.175 1.00 0.73 H new ATOM 593 N LEU A 41 8.124 -2.141 -6.787 1.00 0.28 N ATOM 594 CA LEU A 41 7.979 -3.449 -7.412 1.00 0.31 C ATOM 595 C LEU A 41 9.252 -3.817 -8.174 1.00 0.36 C ATOM 596 O LEU A 41 9.506 -4.994 -8.411 1.00 0.44 O ATOM 597 CB LEU A 41 6.722 -3.472 -8.300 1.00 0.38 C ATOM 598 CG LEU A 41 5.749 -4.637 -8.030 1.00 0.50 C ATOM 599 CD1 LEU A 41 6.253 -5.963 -8.611 1.00 0.91 C ATOM 600 CD2 LEU A 41 5.398 -4.833 -6.550 1.00 0.96 C ATOM 0 H LEU A 41 7.553 -1.418 -7.225 1.00 0.28 H new ATOM 0 HA LEU A 41 7.842 -4.211 -6.645 1.00 0.31 H new ATOM 0 HB2 LEU A 41 6.185 -2.533 -8.166 1.00 0.38 H new ATOM 0 HB3 LEU A 41 7.034 -3.515 -9.343 1.00 0.38 H new ATOM 0 HG LEU A 41 4.835 -4.340 -8.544 1.00 0.50 H new ATOM 0 HD11 LEU A 41 5.533 -6.752 -8.394 1.00 0.91 H new ATOM 0 HD12 LEU A 41 6.371 -5.866 -9.690 1.00 0.91 H new ATOM 0 HD13 LEU A 41 7.214 -6.215 -8.162 1.00 0.91 H new ATOM 0 HD21 LEU A 41 4.709 -5.672 -6.447 1.00 0.96 H new ATOM 0 HD22 LEU A 41 6.307 -5.038 -5.985 1.00 0.96 H new ATOM 0 HD23 LEU A 41 4.928 -3.928 -6.165 1.00 0.96 H new ATOM 612 N ALA A 42 10.092 -2.821 -8.479 1.00 0.36 N ATOM 613 CA ALA A 42 11.463 -3.014 -8.932 1.00 0.42 C ATOM 614 C ALA A 42 12.188 -4.088 -8.121 1.00 0.43 C ATOM 615 O ALA A 42 12.980 -4.838 -8.685 1.00 0.54 O ATOM 616 CB ALA A 42 12.233 -1.701 -8.808 1.00 0.45 C ATOM 0 H ALA A 42 9.826 -1.839 -8.414 1.00 0.36 H new ATOM 0 HA ALA A 42 11.421 -3.340 -9.971 1.00 0.42 H new ATOM 0 HB1 ALA A 42 13.258 -1.847 -9.147 1.00 0.45 H new ATOM 0 HB2 ALA A 42 11.753 -0.938 -9.421 1.00 0.45 H new ATOM 0 HB3 ALA A 42 12.238 -1.379 -7.767 1.00 0.45 H new ATOM 622 N THR A 43 11.932 -4.149 -6.808 1.00 0.39 N ATOM 623 CA THR A 43 12.451 -5.208 -5.953 1.00 0.51 C ATOM 624 C THR A 43 11.307 -5.889 -5.189 1.00 0.62 C ATOM 625 O THR A 43 11.503 -6.345 -4.066 1.00 1.20 O ATOM 626 CB THR A 43 13.574 -4.654 -5.055 1.00 0.56 C ATOM 627 OG1 THR A 43 14.101 -5.661 -4.217 1.00 0.74 O ATOM 628 CG2 THR A 43 13.117 -3.477 -4.189 1.00 0.57 C ATOM 0 H THR A 43 11.359 -3.464 -6.315 1.00 0.39 H new ATOM 0 HA THR A 43 12.906 -5.993 -6.556 1.00 0.51 H new ATOM 0 HB THR A 43 14.346 -4.295 -5.735 1.00 0.56 H new ATOM 0 HG1 THR A 43 13.366 -6.168 -3.813 1.00 0.74 H new ATOM 0 HG21 THR A 43 13.950 -3.129 -3.578 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.774 -2.665 -4.830 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.301 -3.797 -3.541 1.00 0.57 H new ATOM 636 N GLU A 44 10.127 -5.971 -5.813 1.00 0.38 N ATOM 637 CA GLU A 44 8.946 -6.673 -5.322 1.00 0.43 C ATOM 638 C GLU A 44 8.445 -6.159 -3.960 1.00 0.52 C ATOM 639 O GLU A 44 7.788 -6.906 -3.233 1.00 0.90 O ATOM 640 CB GLU A 44 9.210 -8.188 -5.338 1.00 0.47 C ATOM 641 CG GLU A 44 9.371 -8.689 -6.780 1.00 0.80 C ATOM 642 CD GLU A 44 9.582 -10.195 -6.824 1.00 1.59 C ATOM 643 OE1 GLU A 44 8.564 -10.909 -6.703 1.00 1.91 O ATOM 644 OE2 GLU A 44 10.754 -10.602 -6.976 1.00 2.92 O ATOM 0 H GLU A 44 9.966 -5.527 -6.717 1.00 0.38 H new ATOM 0 HA GLU A 44 8.120 -6.459 -6.000 1.00 0.43 H new ATOM 0 HB2 GLU A 44 10.110 -8.413 -4.766 1.00 0.47 H new ATOM 0 HB3 GLU A 44 8.386 -8.712 -4.854 1.00 0.47 H new ATOM 0 HG2 GLU A 44 8.485 -8.427 -7.359 1.00 0.80 H new ATOM 0 HG3 GLU A 44 10.218 -8.188 -7.249 1.00 0.80 H new ATOM 651 N THR A 45 8.693 -4.885 -3.636 1.00 0.30 N ATOM 652 CA THR A 45 8.386 -4.281 -2.345 1.00 0.28 C ATOM 653 C THR A 45 7.337 -3.174 -2.527 1.00 0.23 C ATOM 654 O THR A 45 7.106 -2.701 -3.638 1.00 0.32 O ATOM 655 CB THR A 45 9.715 -3.757 -1.771 1.00 0.37 C ATOM 656 OG1 THR A 45 10.628 -4.829 -1.714 1.00 0.64 O ATOM 657 CG2 THR A 45 9.603 -3.176 -0.364 1.00 0.55 C ATOM 0 H THR A 45 9.126 -4.231 -4.288 1.00 0.30 H new ATOM 0 HA THR A 45 7.953 -4.997 -1.646 1.00 0.28 H new ATOM 0 HB THR A 45 10.038 -2.951 -2.430 1.00 0.37 H new ATOM 0 HG1 THR A 45 10.870 -5.102 -2.624 1.00 0.64 H new ATOM 0 HG21 THR A 45 10.583 -2.830 -0.034 1.00 0.55 H new ATOM 0 HG22 THR A 45 8.906 -2.338 -0.371 1.00 0.55 H new ATOM 0 HG23 THR A 45 9.241 -3.944 0.319 1.00 0.55 H new ATOM 665 N VAL A 46 6.701 -2.731 -1.442 1.00 0.22 N ATOM 666 CA VAL A 46 5.807 -1.580 -1.421 1.00 0.19 C ATOM 667 C VAL A 46 6.118 -0.743 -0.182 1.00 0.16 C ATOM 668 O VAL A 46 6.485 -1.300 0.855 1.00 0.19 O ATOM 669 CB VAL A 46 4.347 -2.057 -1.506 1.00 0.22 C ATOM 670 CG1 VAL A 46 3.968 -3.077 -0.424 1.00 0.27 C ATOM 671 CG2 VAL A 46 3.379 -0.878 -1.440 1.00 0.32 C ATOM 0 H VAL A 46 6.798 -3.177 -0.530 1.00 0.22 H new ATOM 0 HA VAL A 46 5.961 -0.936 -2.287 1.00 0.19 H new ATOM 0 HB VAL A 46 4.265 -2.558 -2.471 1.00 0.22 H new ATOM 0 HG11 VAL A 46 2.925 -3.367 -0.547 1.00 0.27 H new ATOM 0 HG12 VAL A 46 4.603 -3.958 -0.516 1.00 0.27 H new ATOM 0 HG13 VAL A 46 4.107 -2.631 0.561 1.00 0.27 H new ATOM 0 HG21 VAL A 46 2.354 -1.245 -1.502 1.00 0.32 H new ATOM 0 HG22 VAL A 46 3.517 -0.346 -0.499 1.00 0.32 H new ATOM 0 HG23 VAL A 46 3.573 -0.201 -2.272 1.00 0.32 H new ATOM 681 N ASN A 47 6.023 0.588 -0.313 1.00 0.17 N ATOM 682 CA ASN A 47 6.371 1.547 0.722 1.00 0.21 C ATOM 683 C ASN A 47 5.267 2.593 0.790 1.00 0.29 C ATOM 684 O ASN A 47 5.032 3.271 -0.207 1.00 0.58 O ATOM 685 CB ASN A 47 7.693 2.247 0.379 1.00 0.28 C ATOM 686 CG ASN A 47 8.929 1.433 0.739 1.00 0.30 C ATOM 687 OD1 ASN A 47 9.651 0.958 -0.133 1.00 0.37 O ATOM 688 ND2 ASN A 47 9.210 1.314 2.033 1.00 0.30 N ATOM 0 H ASN A 47 5.691 1.030 -1.170 1.00 0.17 H new ATOM 0 HA ASN A 47 6.481 1.030 1.675 1.00 0.21 H new ATOM 0 HB2 ASN A 47 7.711 2.466 -0.689 1.00 0.28 H new ATOM 0 HB3 ASN A 47 7.734 3.203 0.901 1.00 0.28 H new ATOM 0 HD21 ASN A 47 10.049 0.815 2.329 1.00 0.30 H new ATOM 0 HD22 ASN A 47 8.587 1.722 2.730 1.00 0.30 H new ATOM 695 N VAL A 48 4.630 2.771 1.950 1.00 0.19 N ATOM 696 CA VAL A 48 3.467 3.622 2.098 1.00 0.20 C ATOM 697 C VAL A 48 3.813 4.626 3.182 1.00 0.19 C ATOM 698 O VAL A 48 4.343 4.235 4.226 1.00 0.21 O ATOM 699 CB VAL A 48 2.205 2.792 2.390 1.00 0.24 C ATOM 700 CG1 VAL A 48 2.325 1.897 3.630 1.00 1.73 C ATOM 701 CG2 VAL A 48 0.989 3.715 2.518 1.00 1.64 C ATOM 0 H VAL A 48 4.918 2.319 2.818 1.00 0.19 H new ATOM 0 HA VAL A 48 3.226 4.155 1.179 1.00 0.20 H new ATOM 0 HB VAL A 48 2.079 2.118 1.543 1.00 0.24 H new ATOM 0 HG11 VAL A 48 1.397 1.344 3.770 1.00 1.73 H new ATOM 0 HG12 VAL A 48 3.148 1.196 3.494 1.00 1.73 H new ATOM 0 HG13 VAL A 48 2.515 2.515 4.508 1.00 1.73 H new ATOM 0 HG21 VAL A 48 0.100 3.119 2.725 1.00 1.64 H new ATOM 0 HG22 VAL A 48 1.151 4.420 3.334 1.00 1.64 H new ATOM 0 HG23 VAL A 48 0.849 4.264 1.587 1.00 1.64 H new ATOM 711 N ILE A 49 3.575 5.906 2.887 1.00 0.20 N ATOM 712 CA ILE A 49 3.924 7.032 3.726 1.00 0.22 C ATOM 713 C ILE A 49 2.627 7.540 4.363 1.00 0.23 C ATOM 714 O ILE A 49 1.866 8.288 3.733 1.00 0.27 O ATOM 715 CB ILE A 49 4.610 8.147 2.906 1.00 0.28 C ATOM 716 CG1 ILE A 49 5.606 7.638 1.852 1.00 0.41 C ATOM 717 CG2 ILE A 49 5.268 9.161 3.852 1.00 0.36 C ATOM 718 CD1 ILE A 49 6.725 6.777 2.436 1.00 0.31 C ATOM 0 H ILE A 49 3.115 6.187 2.021 1.00 0.20 H new ATOM 0 HA ILE A 49 4.635 6.728 4.494 1.00 0.22 H new ATOM 0 HB ILE A 49 3.823 8.635 2.332 1.00 0.28 H new ATOM 0 HG12 ILE A 49 5.066 7.059 1.103 1.00 0.41 H new ATOM 0 HG13 ILE A 49 6.046 8.492 1.338 1.00 0.41 H new ATOM 0 HG21 ILE A 49 5.750 9.945 3.267 1.00 0.36 H new ATOM 0 HG22 ILE A 49 4.508 9.604 4.496 1.00 0.36 H new ATOM 0 HG23 ILE A 49 6.014 8.655 4.466 1.00 0.36 H new ATOM 0 HD11 ILE A 49 7.390 6.453 1.636 1.00 0.31 H new ATOM 0 HD12 ILE A 49 7.290 7.359 3.164 1.00 0.31 H new ATOM 0 HD13 ILE A 49 6.294 5.904 2.926 1.00 0.31 H new ATOM 730 N TYR A 50 2.351 7.125 5.599 1.00 0.25 N ATOM 731 CA TYR A 50 1.112 7.482 6.279 1.00 0.23 C ATOM 732 C TYR A 50 1.400 8.030 7.659 1.00 0.20 C ATOM 733 O TYR A 50 2.505 7.850 8.174 1.00 0.24 O ATOM 734 CB TYR A 50 0.128 6.302 6.320 1.00 0.26 C ATOM 735 CG TYR A 50 0.564 4.994 6.968 1.00 0.28 C ATOM 736 CD1 TYR A 50 0.865 4.939 8.343 1.00 1.75 C ATOM 737 CD2 TYR A 50 0.393 3.789 6.261 1.00 2.04 C ATOM 738 CE1 TYR A 50 1.037 3.705 8.989 1.00 1.71 C ATOM 739 CE2 TYR A 50 0.529 2.552 6.915 1.00 2.10 C ATOM 740 CZ TYR A 50 0.861 2.511 8.277 1.00 0.44 C ATOM 741 OH TYR A 50 1.052 1.312 8.899 1.00 0.52 O ATOM 0 H TYR A 50 2.976 6.537 6.151 1.00 0.25 H new ATOM 0 HA TYR A 50 0.626 8.271 5.705 1.00 0.23 H new ATOM 0 HB2 TYR A 50 -0.770 6.641 6.837 1.00 0.26 H new ATOM 0 HB3 TYR A 50 -0.160 6.079 5.293 1.00 0.26 H new ATOM 0 HD1 TYR A 50 0.964 5.855 8.906 1.00 1.75 H new ATOM 0 HD2 TYR A 50 0.155 3.815 5.208 1.00 2.04 H new ATOM 0 HE1 TYR A 50 1.305 3.676 10.035 1.00 1.71 H new ATOM 0 HE2 TYR A 50 0.378 1.633 6.368 1.00 2.10 H new ATOM 0 HH TYR A 50 0.888 0.584 8.264 1.00 0.52 H new ATOM 751 N ASP A 51 0.396 8.674 8.251 1.00 0.26 N ATOM 752 CA ASP A 51 0.439 9.007 9.666 1.00 0.25 C ATOM 753 C ASP A 51 0.021 7.765 10.467 1.00 0.30 C ATOM 754 O ASP A 51 -1.050 7.212 10.209 1.00 0.60 O ATOM 755 CB ASP A 51 -0.458 10.203 9.979 1.00 0.39 C ATOM 756 CG ASP A 51 -0.640 10.301 11.486 1.00 1.89 C ATOM 757 OD1 ASP A 51 -1.510 9.546 11.967 1.00 3.12 O ATOM 758 OD2 ASP A 51 0.136 11.032 12.140 1.00 2.73 O ATOM 0 H ASP A 51 -0.453 8.973 7.771 1.00 0.26 H new ATOM 0 HA ASP A 51 1.452 9.297 9.947 1.00 0.25 H new ATOM 0 HB2 ASP A 51 -0.012 11.120 9.593 1.00 0.39 H new ATOM 0 HB3 ASP A 51 -1.425 10.088 9.489 1.00 0.39 H new ATOM 763 N PRO A 52 0.858 7.288 11.407 1.00 0.33 N ATOM 764 CA PRO A 52 0.598 6.064 12.149 1.00 0.40 C ATOM 765 C PRO A 52 -0.267 6.295 13.400 1.00 0.53 C ATOM 766 O PRO A 52 -0.308 5.420 14.265 1.00 0.61 O ATOM 767 CB PRO A 52 1.989 5.541 12.514 1.00 0.47 C ATOM 768 CG PRO A 52 2.756 6.838 12.771 1.00 0.52 C ATOM 769 CD PRO A 52 2.195 7.780 11.703 1.00 0.48 C ATOM 0 HA PRO A 52 0.023 5.353 11.556 1.00 0.40 H new ATOM 0 HB2 PRO A 52 1.966 4.899 13.394 1.00 0.47 H new ATOM 0 HB3 PRO A 52 2.431 4.958 11.706 1.00 0.47 H new ATOM 0 HG2 PRO A 52 2.582 7.218 13.778 1.00 0.52 H new ATOM 0 HG3 PRO A 52 3.832 6.700 12.664 1.00 0.52 H new ATOM 0 HD2 PRO A 52 2.163 8.808 12.065 1.00 0.48 H new ATOM 0 HD3 PRO A 52 2.820 7.776 10.810 1.00 0.48 H new ATOM 777 N ALA A 53 -0.941 7.445 13.523 1.00 0.66 N ATOM 778 CA ALA A 53 -1.957 7.688 14.535 1.00 0.82 C ATOM 779 C ALA A 53 -3.340 7.460 13.920 1.00 0.76 C ATOM 780 O ALA A 53 -4.202 6.875 14.575 1.00 1.06 O ATOM 781 CB ALA A 53 -1.822 9.109 15.097 1.00 0.96 C ATOM 0 H ALA A 53 -0.787 8.243 12.907 1.00 0.66 H new ATOM 0 HA ALA A 53 -1.824 6.995 15.366 1.00 0.82 H new ATOM 0 HB1 ALA A 53 -2.589 9.276 15.853 1.00 0.96 H new ATOM 0 HB2 ALA A 53 -0.837 9.230 15.547 1.00 0.96 H new ATOM 0 HB3 ALA A 53 -1.944 9.832 14.291 1.00 0.96 H new ATOM 787 N GLU A 54 -3.547 7.903 12.673 1.00 0.56 N ATOM 788 CA GLU A 54 -4.826 7.803 11.991 1.00 0.56 C ATOM 789 C GLU A 54 -4.833 6.473 11.240 1.00 0.45 C ATOM 790 O GLU A 54 -5.640 5.590 11.524 1.00 0.56 O ATOM 791 CB GLU A 54 -5.033 9.002 11.043 1.00 0.64 C ATOM 792 CG GLU A 54 -6.254 9.858 11.409 1.00 0.70 C ATOM 793 CD GLU A 54 -5.974 10.818 12.560 1.00 2.27 C ATOM 794 OE1 GLU A 54 -6.026 10.355 13.719 1.00 3.84 O ATOM 795 OE2 GLU A 54 -5.740 12.008 12.255 1.00 2.91 O ATOM 0 H GLU A 54 -2.819 8.344 12.111 1.00 0.56 H new ATOM 0 HA GLU A 54 -5.653 7.830 12.701 1.00 0.56 H new ATOM 0 HB2 GLU A 54 -4.141 9.628 11.059 1.00 0.64 H new ATOM 0 HB3 GLU A 54 -5.147 8.635 10.023 1.00 0.64 H new ATOM 0 HG2 GLU A 54 -6.569 10.427 10.535 1.00 0.70 H new ATOM 0 HG3 GLU A 54 -7.083 9.204 11.680 1.00 0.70 H new ATOM 802 N THR A 55 -3.901 6.334 10.293 1.00 0.42 N ATOM 803 CA THR A 55 -3.458 5.051 9.780 1.00 0.43 C ATOM 804 C THR A 55 -2.481 4.297 10.669 1.00 0.41 C ATOM 805 O THR A 55 -2.260 4.612 11.835 1.00 0.41 O ATOM 806 CB THR A 55 -3.251 5.006 8.248 1.00 0.48 C ATOM 807 OG1 THR A 55 -3.065 6.309 7.764 1.00 0.70 O ATOM 808 CG2 THR A 55 -4.548 4.545 7.581 1.00 0.48 C ATOM 0 H THR A 55 -3.430 7.128 9.859 1.00 0.42 H new ATOM 0 HA THR A 55 -4.321 4.392 9.876 1.00 0.43 H new ATOM 0 HB THR A 55 -2.405 4.351 8.039 1.00 0.48 H new ATOM 0 HG1 THR A 55 -2.932 6.282 6.793 1.00 0.70 H new ATOM 0 HG21 THR A 55 -4.409 4.511 6.500 1.00 0.48 H new ATOM 0 HG22 THR A 55 -4.811 3.552 7.945 1.00 0.48 H new ATOM 0 HG23 THR A 55 -5.349 5.243 7.822 1.00 0.48 H new ATOM 816 N GLY A 56 -2.039 3.179 10.114 1.00 0.58 N ATOM 817 CA GLY A 56 -1.645 1.950 10.742 1.00 0.62 C ATOM 818 C GLY A 56 -1.873 0.916 9.637 1.00 1.11 C ATOM 819 O GLY A 56 -2.121 1.273 8.484 1.00 2.53 O ATOM 0 H GLY A 56 -1.941 3.116 9.101 1.00 0.58 H new ATOM 0 HA2 GLY A 56 -0.604 1.976 11.063 1.00 0.62 H new ATOM 0 HA3 GLY A 56 -2.246 1.737 11.626 1.00 0.62 H new ATOM 823 N THR A 57 -1.825 -0.361 9.975 1.00 0.42 N ATOM 824 CA THR A 57 -1.951 -1.455 9.036 1.00 0.56 C ATOM 825 C THR A 57 -3.406 -1.567 8.586 1.00 0.38 C ATOM 826 O THR A 57 -3.692 -1.918 7.444 1.00 0.40 O ATOM 827 CB THR A 57 -1.465 -2.713 9.761 1.00 0.89 C ATOM 828 OG1 THR A 57 -2.064 -2.741 11.045 1.00 1.08 O ATOM 829 CG2 THR A 57 0.058 -2.647 9.940 1.00 1.02 C ATOM 0 H THR A 57 -1.694 -0.671 10.938 1.00 0.42 H new ATOM 0 HA THR A 57 -1.355 -1.304 8.136 1.00 0.56 H new ATOM 0 HB THR A 57 -1.730 -3.600 9.185 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.767 -3.541 11.527 1.00 1.08 H new ATOM 0 HG21 THR A 57 0.403 -3.543 10.456 1.00 1.02 H new ATOM 0 HG22 THR A 57 0.537 -2.584 8.963 1.00 1.02 H new ATOM 0 HG23 THR A 57 0.317 -1.767 10.528 1.00 1.02 H new ATOM 837 N ALA A 58 -4.317 -1.275 9.519 1.00 0.38 N ATOM 838 CA ALA A 58 -5.738 -1.514 9.396 1.00 0.43 C ATOM 839 C ALA A 58 -6.315 -1.053 8.071 1.00 0.40 C ATOM 840 O ALA A 58 -6.859 -1.854 7.308 1.00 0.42 O ATOM 841 CB ALA A 58 -6.467 -0.869 10.580 1.00 0.56 C ATOM 0 H ALA A 58 -4.064 -0.850 10.411 1.00 0.38 H new ATOM 0 HA ALA A 58 -5.891 -2.593 9.415 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -7.538 -1.048 10.489 1.00 0.56 H new ATOM 0 HB2 ALA A 58 -6.104 -1.304 11.511 1.00 0.56 H new ATOM 0 HB3 ALA A 58 -6.278 0.204 10.583 1.00 0.56 H new ATOM 847 N ALA A 59 -6.205 0.245 7.804 1.00 0.38 N ATOM 848 CA ALA A 59 -6.971 0.808 6.690 1.00 0.37 C ATOM 849 C ALA A 59 -6.386 0.293 5.383 1.00 0.34 C ATOM 850 O ALA A 59 -7.102 -0.077 4.452 1.00 0.35 O ATOM 851 CB ALA A 59 -6.988 2.334 6.712 1.00 0.44 C ATOM 0 H ALA A 59 -5.620 0.905 8.317 1.00 0.38 H new ATOM 0 HA ALA A 59 -8.008 0.487 6.787 1.00 0.37 H new ATOM 0 HB1 ALA A 59 -7.568 2.704 5.866 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -7.441 2.679 7.641 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -5.967 2.710 6.644 1.00 0.44 H new ATOM 857 N ILE A 60 -5.054 0.257 5.365 1.00 0.36 N ATOM 858 CA ILE A 60 -4.264 -0.301 4.298 1.00 0.33 C ATOM 859 C ILE A 60 -4.757 -1.695 3.970 1.00 0.31 C ATOM 860 O ILE A 60 -5.072 -1.948 2.817 1.00 0.31 O ATOM 861 CB ILE A 60 -2.772 -0.248 4.684 1.00 0.33 C ATOM 862 CG1 ILE A 60 -2.202 1.090 4.218 1.00 0.34 C ATOM 863 CG2 ILE A 60 -1.932 -1.358 4.041 1.00 0.37 C ATOM 864 CD1 ILE A 60 -2.669 2.283 5.060 1.00 0.96 C ATOM 0 H ILE A 60 -4.487 0.632 6.126 1.00 0.36 H new ATOM 0 HA ILE A 60 -4.374 0.286 3.386 1.00 0.33 H new ATOM 0 HB ILE A 60 -2.720 -0.379 5.765 1.00 0.33 H new ATOM 0 HG12 ILE A 60 -1.113 1.041 4.245 1.00 0.34 H new ATOM 0 HG13 ILE A 60 -2.488 1.255 3.179 1.00 0.34 H new ATOM 0 HG21 ILE A 60 -0.894 -1.258 4.357 1.00 0.37 H new ATOM 0 HG22 ILE A 60 -2.314 -2.330 4.352 1.00 0.37 H new ATOM 0 HG23 ILE A 60 -1.990 -1.276 2.956 1.00 0.37 H new ATOM 0 HD11 ILE A 60 -2.224 3.199 4.671 1.00 0.96 H new ATOM 0 HD12 ILE A 60 -3.755 2.358 5.013 1.00 0.96 H new ATOM 0 HD13 ILE A 60 -2.360 2.141 6.095 1.00 0.96 H new ATOM 876 N GLN A 61 -4.834 -2.592 4.950 1.00 0.31 N ATOM 877 CA GLN A 61 -5.175 -3.978 4.679 1.00 0.29 C ATOM 878 C GLN A 61 -6.617 -4.080 4.163 1.00 0.29 C ATOM 879 O GLN A 61 -6.864 -4.740 3.153 1.00 0.30 O ATOM 880 CB GLN A 61 -4.862 -4.825 5.915 1.00 0.40 C ATOM 881 CG GLN A 61 -4.439 -6.258 5.556 1.00 0.61 C ATOM 882 CD GLN A 61 -3.622 -6.882 6.684 1.00 1.39 C ATOM 883 OE1 GLN A 61 -4.047 -7.835 7.326 1.00 2.19 O ATOM 884 NE2 GLN A 61 -2.433 -6.341 6.943 1.00 1.76 N ATOM 0 H GLN A 61 -4.665 -2.381 5.934 1.00 0.31 H new ATOM 0 HA GLN A 61 -4.563 -4.387 3.875 1.00 0.29 H new ATOM 0 HB2 GLN A 61 -4.066 -4.347 6.487 1.00 0.40 H new ATOM 0 HB3 GLN A 61 -5.740 -4.860 6.559 1.00 0.40 H new ATOM 0 HG2 GLN A 61 -5.323 -6.865 5.363 1.00 0.61 H new ATOM 0 HG3 GLN A 61 -3.852 -6.249 4.638 1.00 0.61 H new ATOM 0 HE21 GLN A 61 -2.103 -5.548 6.393 1.00 1.76 H new ATOM 0 HE22 GLN A 61 -1.852 -6.720 7.691 1.00 1.76 H new ATOM 893 N GLU A 62 -7.543 -3.359 4.814 1.00 0.30 N ATOM 894 CA GLU A 62 -8.936 -3.219 4.383 1.00 0.33 C ATOM 895 C GLU A 62 -8.994 -2.924 2.876 1.00 0.36 C ATOM 896 O GLU A 62 -9.632 -3.624 2.086 1.00 0.39 O ATOM 897 CB GLU A 62 -9.604 -2.087 5.205 1.00 0.33 C ATOM 898 CG GLU A 62 -10.950 -2.459 5.849 1.00 0.73 C ATOM 899 CD GLU A 62 -12.136 -2.409 4.893 1.00 2.00 C ATOM 900 OE1 GLU A 62 -12.178 -1.453 4.087 1.00 2.80 O ATOM 901 OE2 GLU A 62 -13.009 -3.292 5.002 1.00 2.79 O ATOM 0 H GLU A 62 -7.336 -2.848 5.672 1.00 0.30 H new ATOM 0 HA GLU A 62 -9.478 -4.148 4.559 1.00 0.33 H new ATOM 0 HB2 GLU A 62 -8.916 -1.775 5.991 1.00 0.33 H new ATOM 0 HB3 GLU A 62 -9.756 -1.226 4.554 1.00 0.33 H new ATOM 0 HG2 GLU A 62 -10.875 -3.464 6.265 1.00 0.73 H new ATOM 0 HG3 GLU A 62 -11.141 -1.782 6.682 1.00 0.73 H new ATOM 908 N LYS A 63 -8.317 -1.850 2.477 1.00 0.36 N ATOM 909 CA LYS A 63 -8.309 -1.363 1.124 1.00 0.37 C ATOM 910 C LYS A 63 -7.519 -2.243 0.166 1.00 0.31 C ATOM 911 O LYS A 63 -7.972 -2.452 -0.950 1.00 0.34 O ATOM 912 CB LYS A 63 -7.814 0.070 1.187 1.00 0.41 C ATOM 913 CG LYS A 63 -8.862 1.019 1.804 1.00 0.62 C ATOM 914 CD LYS A 63 -10.213 1.048 1.058 1.00 1.20 C ATOM 915 CE LYS A 63 -11.253 0.059 1.617 1.00 2.67 C ATOM 916 NZ LYS A 63 -12.118 0.647 2.656 1.00 3.95 N ATOM 0 H LYS A 63 -7.748 -1.289 3.111 1.00 0.36 H new ATOM 0 HA LYS A 63 -9.313 -1.396 0.702 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.897 0.111 1.775 1.00 0.41 H new ATOM 0 HB3 LYS A 63 -7.563 0.411 0.183 1.00 0.41 H new ATOM 0 HG2 LYS A 63 -9.038 0.723 2.838 1.00 0.62 H new ATOM 0 HG3 LYS A 63 -8.452 2.029 1.827 1.00 0.62 H new ATOM 0 HD2 LYS A 63 -10.622 2.057 1.106 1.00 1.20 H new ATOM 0 HD3 LYS A 63 -10.041 0.824 0.005 1.00 1.20 H new ATOM 0 HE2 LYS A 63 -11.875 -0.304 0.799 1.00 2.67 H new ATOM 0 HE3 LYS A 63 -10.735 -0.806 2.032 1.00 2.67 H new ATOM 0 HZ1 LYS A 63 -12.071 0.066 3.517 1.00 3.95 H new ATOM 0 HZ2 LYS A 63 -11.795 1.612 2.871 1.00 3.95 H new ATOM 0 HZ3 LYS A 63 -13.099 0.679 2.313 1.00 3.95 H new ATOM 930 N ILE A 64 -6.367 -2.765 0.575 1.00 0.26 N ATOM 931 CA ILE A 64 -5.571 -3.717 -0.177 1.00 0.24 C ATOM 932 C ILE A 64 -6.508 -4.835 -0.673 1.00 0.25 C ATOM 933 O ILE A 64 -6.581 -5.113 -1.871 1.00 0.27 O ATOM 934 CB ILE A 64 -4.434 -4.220 0.731 1.00 0.26 C ATOM 935 CG1 ILE A 64 -3.168 -3.369 0.549 1.00 0.32 C ATOM 936 CG2 ILE A 64 -4.130 -5.707 0.607 1.00 0.30 C ATOM 937 CD1 ILE A 64 -2.381 -3.723 -0.718 1.00 0.38 C ATOM 0 H ILE A 64 -5.950 -2.524 1.474 1.00 0.26 H new ATOM 0 HA ILE A 64 -5.103 -3.274 -1.056 1.00 0.24 H new ATOM 0 HB ILE A 64 -4.802 -4.096 1.750 1.00 0.26 H new ATOM 0 HG12 ILE A 64 -3.448 -2.316 0.513 1.00 0.32 H new ATOM 0 HG13 ILE A 64 -2.523 -3.498 1.418 1.00 0.32 H new ATOM 0 HG21 ILE A 64 -3.316 -5.970 1.283 1.00 0.30 H new ATOM 0 HG22 ILE A 64 -5.018 -6.283 0.867 1.00 0.30 H new ATOM 0 HG23 ILE A 64 -3.838 -5.934 -0.418 1.00 0.30 H new ATOM 0 HD11 ILE A 64 -1.499 -3.087 -0.788 1.00 0.38 H new ATOM 0 HD12 ILE A 64 -2.072 -4.768 -0.675 1.00 0.38 H new ATOM 0 HD13 ILE A 64 -3.011 -3.567 -1.593 1.00 0.38 H new ATOM 949 N GLU A 65 -7.269 -5.424 0.261 1.00 0.28 N ATOM 950 CA GLU A 65 -8.260 -6.446 -0.040 1.00 0.34 C ATOM 951 C GLU A 65 -9.314 -5.897 -1.000 1.00 0.37 C ATOM 952 O GLU A 65 -9.497 -6.427 -2.093 1.00 0.39 O ATOM 953 CB GLU A 65 -8.905 -6.941 1.262 1.00 0.40 C ATOM 954 CG GLU A 65 -7.963 -7.850 2.064 1.00 0.48 C ATOM 955 CD GLU A 65 -8.132 -9.326 1.707 1.00 0.73 C ATOM 956 OE1 GLU A 65 -8.367 -9.607 0.512 1.00 1.38 O ATOM 957 OE2 GLU A 65 -8.048 -10.144 2.647 1.00 1.63 O ATOM 0 H GLU A 65 -7.207 -5.196 1.253 1.00 0.28 H new ATOM 0 HA GLU A 65 -7.770 -7.289 -0.527 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -9.189 -6.085 1.874 1.00 0.40 H new ATOM 0 HB3 GLU A 65 -9.821 -7.484 1.029 1.00 0.40 H new ATOM 0 HG2 GLU A 65 -6.931 -7.551 1.881 1.00 0.48 H new ATOM 0 HG3 GLU A 65 -8.150 -7.713 3.129 1.00 0.48 H new ATOM 964 N LYS A 66 -10.015 -4.825 -0.616 1.00 0.40 N ATOM 965 CA LYS A 66 -11.108 -4.279 -1.422 1.00 0.49 C ATOM 966 C LYS A 66 -10.683 -3.876 -2.845 1.00 0.47 C ATOM 967 O LYS A 66 -11.490 -3.962 -3.770 1.00 0.54 O ATOM 968 CB LYS A 66 -11.792 -3.119 -0.672 1.00 0.60 C ATOM 969 CG LYS A 66 -13.060 -3.608 0.044 1.00 0.80 C ATOM 970 CD LYS A 66 -14.247 -3.672 -0.930 1.00 2.00 C ATOM 971 CE LYS A 66 -14.949 -2.308 -1.025 1.00 2.79 C ATOM 972 NZ LYS A 66 -15.963 -2.270 -2.102 1.00 4.35 N ATOM 0 H LYS A 66 -9.843 -4.318 0.252 1.00 0.40 H new ATOM 0 HA LYS A 66 -11.832 -5.081 -1.563 1.00 0.49 H new ATOM 0 HB2 LYS A 66 -11.101 -2.691 0.054 1.00 0.60 H new ATOM 0 HB3 LYS A 66 -12.048 -2.326 -1.375 1.00 0.60 H new ATOM 0 HG2 LYS A 66 -12.883 -4.594 0.474 1.00 0.80 H new ATOM 0 HG3 LYS A 66 -13.298 -2.938 0.870 1.00 0.80 H new ATOM 0 HD2 LYS A 66 -13.898 -3.976 -1.917 1.00 2.00 H new ATOM 0 HD3 LYS A 66 -14.957 -4.429 -0.596 1.00 2.00 H new ATOM 0 HE2 LYS A 66 -15.426 -2.081 -0.072 1.00 2.79 H new ATOM 0 HE3 LYS A 66 -14.205 -1.531 -1.202 1.00 2.79 H new ATOM 0 HZ1 LYS A 66 -16.408 -1.331 -2.126 1.00 4.35 H new ATOM 0 HZ2 LYS A 66 -15.505 -2.460 -3.016 1.00 4.35 H new ATOM 0 HZ3 LYS A 66 -16.689 -2.993 -1.921 1.00 4.35 H new ATOM 986 N LEU A 67 -9.445 -3.411 -3.019 1.00 0.41 N ATOM 987 CA LEU A 67 -8.843 -3.085 -4.307 1.00 0.43 C ATOM 988 C LEU A 67 -8.523 -4.348 -5.119 1.00 0.41 C ATOM 989 O LEU A 67 -8.341 -4.260 -6.331 1.00 0.46 O ATOM 990 CB LEU A 67 -7.607 -2.195 -4.098 1.00 0.44 C ATOM 991 CG LEU A 67 -8.006 -0.789 -3.608 1.00 0.56 C ATOM 992 CD1 LEU A 67 -6.846 -0.106 -2.878 1.00 0.56 C ATOM 993 CD2 LEU A 67 -8.432 0.109 -4.779 1.00 0.74 C ATOM 0 H LEU A 67 -8.813 -3.246 -2.236 1.00 0.41 H new ATOM 0 HA LEU A 67 -9.566 -2.522 -4.898 1.00 0.43 H new ATOM 0 HB2 LEU A 67 -6.940 -2.660 -3.372 1.00 0.44 H new ATOM 0 HB3 LEU A 67 -7.053 -2.113 -5.033 1.00 0.44 H new ATOM 0 HG LEU A 67 -8.844 -0.923 -2.924 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -7.158 0.884 -2.545 1.00 0.56 H new ATOM 0 HD12 LEU A 67 -6.556 -0.705 -2.015 1.00 0.56 H new ATOM 0 HD13 LEU A 67 -5.997 -0.010 -3.554 1.00 0.56 H new ATOM 0 HD21 LEU A 67 -8.707 1.094 -4.401 1.00 0.74 H new ATOM 0 HD22 LEU A 67 -7.604 0.208 -5.481 1.00 0.74 H new ATOM 0 HD23 LEU A 67 -9.287 -0.337 -5.287 1.00 0.74 H new ATOM 1005 N GLY A 68 -8.446 -5.511 -4.464 1.00 0.37 N ATOM 1006 CA GLY A 68 -8.261 -6.807 -5.097 1.00 0.39 C ATOM 1007 C GLY A 68 -6.796 -7.228 -5.087 1.00 0.34 C ATOM 1008 O GLY A 68 -6.298 -7.719 -6.098 1.00 0.34 O ATOM 0 H GLY A 68 -8.514 -5.571 -3.448 1.00 0.37 H new ATOM 0 HA2 GLY A 68 -8.860 -7.556 -4.578 1.00 0.39 H new ATOM 0 HA3 GLY A 68 -8.622 -6.766 -6.125 1.00 0.39 H new ATOM 1012 N TYR A 69 -6.106 -7.040 -3.958 1.00 0.34 N ATOM 1013 CA TYR A 69 -4.690 -7.344 -3.796 1.00 0.31 C ATOM 1014 C TYR A 69 -4.438 -7.960 -2.422 1.00 0.28 C ATOM 1015 O TYR A 69 -5.342 -7.998 -1.592 1.00 0.29 O ATOM 1016 CB TYR A 69 -3.892 -6.048 -3.944 1.00 0.32 C ATOM 1017 CG TYR A 69 -3.130 -6.010 -5.243 1.00 0.36 C ATOM 1018 CD1 TYR A 69 -3.805 -5.730 -6.442 1.00 1.87 C ATOM 1019 CD2 TYR A 69 -1.752 -6.280 -5.256 1.00 1.60 C ATOM 1020 CE1 TYR A 69 -3.090 -5.658 -7.644 1.00 1.97 C ATOM 1021 CE2 TYR A 69 -1.032 -6.149 -6.451 1.00 1.54 C ATOM 1022 CZ TYR A 69 -1.703 -5.868 -7.652 1.00 0.60 C ATOM 1023 OH TYR A 69 -1.014 -5.793 -8.826 1.00 0.77 O ATOM 0 H TYR A 69 -6.533 -6.662 -3.112 1.00 0.34 H new ATOM 0 HA TYR A 69 -4.377 -8.060 -4.556 1.00 0.31 H new ATOM 0 HB2 TYR A 69 -4.569 -5.195 -3.894 1.00 0.32 H new ATOM 0 HB3 TYR A 69 -3.196 -5.952 -3.111 1.00 0.32 H new ATOM 0 HD1 TYR A 69 -4.873 -5.571 -6.437 1.00 1.87 H new ATOM 0 HD2 TYR A 69 -1.250 -6.587 -4.350 1.00 1.60 H new ATOM 0 HE1 TYR A 69 -3.607 -5.440 -8.567 1.00 1.97 H new ATOM 0 HE2 TYR A 69 0.042 -6.264 -6.448 1.00 1.54 H new ATOM 0 HH TYR A 69 -1.360 -6.464 -9.452 1.00 0.77 H new ATOM 1033 N HIS A 70 -3.199 -8.400 -2.164 1.00 0.28 N ATOM 1034 CA HIS A 70 -2.798 -8.895 -0.855 1.00 0.28 C ATOM 1035 C HIS A 70 -1.370 -8.432 -0.552 1.00 0.27 C ATOM 1036 O HIS A 70 -0.459 -8.671 -1.340 1.00 0.53 O ATOM 1037 CB HIS A 70 -2.933 -10.422 -0.826 1.00 0.41 C ATOM 1038 CG HIS A 70 -3.013 -11.012 0.563 1.00 0.58 C ATOM 1039 ND1 HIS A 70 -2.188 -10.737 1.631 1.00 1.72 N ATOM 1040 CD2 HIS A 70 -3.945 -11.921 0.990 1.00 1.57 C ATOM 1041 CE1 HIS A 70 -2.614 -11.470 2.673 1.00 1.43 C ATOM 1042 NE2 HIS A 70 -3.674 -12.216 2.329 1.00 1.25 N ATOM 0 H HIS A 70 -2.454 -8.420 -2.860 1.00 0.28 H new ATOM 0 HA HIS A 70 -3.447 -8.492 -0.077 1.00 0.28 H new ATOM 0 HB2 HIS A 70 -3.827 -10.707 -1.381 1.00 0.41 H new ATOM 0 HB3 HIS A 70 -2.081 -10.860 -1.346 1.00 0.41 H new ATOM 0 HD1 HIS A 70 -1.397 -10.093 1.631 1.00 1.72 H new ATOM 0 HD2 HIS A 70 -4.747 -12.336 0.397 1.00 1.57 H new ATOM 0 HE1 HIS A 70 -2.164 -11.460 3.655 1.00 1.43 H new ATOM 1050 N VAL A 71 -1.171 -7.774 0.591 1.00 0.31 N ATOM 1051 CA VAL A 71 0.145 -7.368 1.078 1.00 0.35 C ATOM 1052 C VAL A 71 0.682 -8.468 2.002 1.00 0.37 C ATOM 1053 O VAL A 71 -0.109 -9.197 2.597 1.00 0.51 O ATOM 1054 CB VAL A 71 0.030 -5.992 1.760 1.00 0.48 C ATOM 1055 CG1 VAL A 71 -0.753 -6.028 3.080 1.00 1.56 C ATOM 1056 CG2 VAL A 71 1.406 -5.374 2.011 1.00 1.21 C ATOM 0 H VAL A 71 -1.933 -7.505 1.213 1.00 0.31 H new ATOM 0 HA VAL A 71 0.860 -7.252 0.264 1.00 0.35 H new ATOM 0 HB VAL A 71 -0.530 -5.373 1.059 1.00 0.48 H new ATOM 0 HG11 VAL A 71 -0.795 -5.025 3.506 1.00 1.56 H new ATOM 0 HG12 VAL A 71 -1.766 -6.385 2.893 1.00 1.56 H new ATOM 0 HG13 VAL A 71 -0.255 -6.699 3.780 1.00 1.56 H new ATOM 0 HG21 VAL A 71 1.287 -4.404 2.493 1.00 1.21 H new ATOM 0 HG22 VAL A 71 1.988 -6.031 2.657 1.00 1.21 H new ATOM 0 HG23 VAL A 71 1.926 -5.246 1.062 1.00 1.21 H new ATOM 1066 N VAL A 72 2.005 -8.613 2.107 1.00 0.38 N ATOM 1067 CA VAL A 72 2.670 -9.587 2.964 1.00 0.42 C ATOM 1068 C VAL A 72 3.688 -8.847 3.833 1.00 0.45 C ATOM 1069 O VAL A 72 4.296 -7.872 3.393 1.00 0.44 O ATOM 1070 CB VAL A 72 3.309 -10.704 2.135 1.00 0.43 C ATOM 1071 CG1 VAL A 72 3.897 -11.810 3.024 1.00 0.52 C ATOM 1072 CG2 VAL A 72 2.300 -11.337 1.166 1.00 0.51 C ATOM 0 H VAL A 72 2.660 -8.036 1.580 1.00 0.38 H new ATOM 0 HA VAL A 72 1.944 -10.076 3.614 1.00 0.42 H new ATOM 0 HB VAL A 72 4.113 -10.236 1.566 1.00 0.43 H new ATOM 0 HG11 VAL A 72 4.341 -12.583 2.397 1.00 0.52 H new ATOM 0 HG12 VAL A 72 4.663 -11.386 3.674 1.00 0.52 H new ATOM 0 HG13 VAL A 72 3.105 -12.247 3.633 1.00 0.52 H new ATOM 0 HG21 VAL A 72 2.790 -12.126 0.595 1.00 0.51 H new ATOM 0 HG22 VAL A 72 1.469 -11.760 1.731 1.00 0.51 H new ATOM 0 HG23 VAL A 72 1.924 -10.575 0.484 1.00 0.51 H new ATOM 1082 N ILE A 73 3.837 -9.293 5.080 1.00 0.56 N ATOM 1083 CA ILE A 73 4.638 -8.637 6.100 1.00 0.67 C ATOM 1084 C ILE A 73 5.762 -9.583 6.528 1.00 0.70 C ATOM 1085 O ILE A 73 5.664 -10.241 7.560 1.00 0.71 O ATOM 1086 CB ILE A 73 3.765 -8.179 7.286 1.00 0.77 C ATOM 1087 CG1 ILE A 73 2.706 -7.153 6.863 1.00 1.03 C ATOM 1088 CG2 ILE A 73 4.604 -7.479 8.361 1.00 0.87 C ATOM 1089 CD1 ILE A 73 1.410 -7.806 6.414 1.00 1.41 C ATOM 0 H ILE A 73 3.388 -10.146 5.413 1.00 0.56 H new ATOM 0 HA ILE A 73 5.087 -7.731 5.693 1.00 0.67 H new ATOM 0 HB ILE A 73 3.300 -9.090 7.663 1.00 0.77 H new ATOM 0 HG12 ILE A 73 2.501 -6.482 7.697 1.00 1.03 H new ATOM 0 HG13 ILE A 73 3.101 -6.541 6.052 1.00 1.03 H new ATOM 0 HG21 ILE A 73 3.958 -7.169 9.182 1.00 0.87 H new ATOM 0 HG22 ILE A 73 5.362 -8.166 8.736 1.00 0.87 H new ATOM 0 HG23 ILE A 73 5.089 -6.603 7.931 1.00 0.87 H new ATOM 0 HD11 ILE A 73 0.695 -7.035 6.126 1.00 1.41 H new ATOM 0 HD12 ILE A 73 1.606 -8.456 5.561 1.00 1.41 H new ATOM 0 HD13 ILE A 73 0.997 -8.396 7.232 1.00 1.41 H new