USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 595 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 36 SER OG : rot -85:sc= 0.538 USER MOD Set 1.2: A 45 HIS : no HE2:sc= -1.47 K(o=-0.93,f=-8.4!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 145:sc= 1.69 (180deg=1.09) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 1.5 K(o=4.5,f=-9.3!) USER MOD Set 2.3: A 61 THR OG1 : rot 114:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.35 (180deg=1.1) USER MOD Single : A 13 MET CE :methyl -165:sc= -0.519 (180deg=-0.795) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 54:sc=-0.00438 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 100:sc= 0.00609 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.281 F(o=-1.3,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.793) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= -0.449 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 34 TYR OH : rot 165:sc=-0.00348 USER MOD Single : A 35 CYS SG : rot -160:sc= -0.39 USER MOD Single : A 41 THR OG1 : rot -17:sc= 0.0924 USER MOD Single : A 42 ASN : amide:sc= 0.909 K(o=0.91,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 1.84 (180deg=1.1) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0.89 (180deg=0.754) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0461 USER MOD Single : A 60 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -19:sc= 0.687 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.776 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.703 -14.757 3.648 1.00 4.59 N ATOM 2 CA MET A 1 9.931 -14.996 5.091 1.00 4.52 C ATOM 3 C MET A 1 10.295 -13.669 5.759 1.00 3.81 C ATOM 4 O MET A 1 10.694 -12.742 5.060 1.00 3.84 O ATOM 5 CB MET A 1 11.045 -16.024 5.367 1.00 4.98 C ATOM 6 CG MET A 1 10.519 -17.439 5.633 1.00 6.59 C ATOM 7 SD MET A 1 11.806 -18.596 6.176 1.00 7.82 S ATOM 8 CE MET A 1 10.810 -20.059 6.535 1.00 9.74 C ATOM 0 H1 MET A 1 10.018 -15.586 3.105 1.00 4.59 H new ATOM 0 H2 MET A 1 8.689 -14.597 3.478 1.00 4.59 H new ATOM 0 H3 MET A 1 10.241 -13.920 3.346 1.00 4.59 H new ATOM 0 HA MET A 1 9.009 -15.409 5.501 1.00 4.52 H new ATOM 0 HB2 MET A 1 11.723 -16.051 4.514 1.00 4.98 H new ATOM 0 HB3 MET A 1 11.628 -15.694 6.227 1.00 4.98 H new ATOM 0 HG2 MET A 1 9.739 -17.392 6.393 1.00 6.59 H new ATOM 0 HG3 MET A 1 10.056 -17.823 4.724 1.00 6.59 H new ATOM 0 HE1 MET A 1 11.458 -20.864 6.882 1.00 9.74 H new ATOM 0 HE2 MET A 1 10.080 -19.821 7.309 1.00 9.74 H new ATOM 0 HE3 MET A 1 10.290 -20.376 5.631 1.00 9.74 H new ATOM 20 N GLY A 2 10.199 -13.600 7.093 1.00 4.48 N ATOM 21 CA GLY A 2 10.400 -12.368 7.842 1.00 4.88 C ATOM 22 C GLY A 2 9.312 -11.386 7.431 1.00 4.27 C ATOM 23 O GLY A 2 8.155 -11.573 7.798 1.00 5.23 O ATOM 0 H GLY A 2 9.978 -14.405 7.679 1.00 4.48 H new ATOM 0 HA2 GLY A 2 10.354 -12.562 8.914 1.00 4.88 H new ATOM 0 HA3 GLY A 2 11.386 -11.953 7.635 1.00 4.88 H new ATOM 27 N ASP A 3 9.684 -10.392 6.624 1.00 3.17 N ATOM 28 CA ASP A 3 8.780 -9.545 5.871 1.00 2.36 C ATOM 29 C ASP A 3 9.603 -8.835 4.803 1.00 1.70 C ATOM 30 O ASP A 3 10.826 -8.747 4.927 1.00 2.48 O ATOM 31 CB ASP A 3 8.036 -8.553 6.777 1.00 3.19 C ATOM 32 CG ASP A 3 8.940 -7.609 7.549 1.00 3.70 C ATOM 33 OD1 ASP A 3 9.559 -6.719 6.930 1.00 4.06 O ATOM 34 OD2 ASP A 3 8.874 -7.612 8.800 1.00 4.67 O ATOM 0 H ASP A 3 10.664 -10.151 6.476 1.00 3.17 H new ATOM 0 HA ASP A 3 8.002 -10.149 5.403 1.00 2.36 H new ATOM 0 HB2 ASP A 3 7.353 -7.963 6.166 1.00 3.19 H new ATOM 0 HB3 ASP A 3 7.427 -9.114 7.486 1.00 3.19 H new ATOM 39 N GLY A 4 8.938 -8.367 3.747 1.00 1.14 N ATOM 40 CA GLY A 4 9.491 -7.459 2.765 1.00 1.30 C ATOM 41 C GLY A 4 8.737 -6.138 2.882 1.00 1.21 C ATOM 42 O GLY A 4 7.540 -6.123 3.180 1.00 1.85 O ATOM 0 H GLY A 4 7.970 -8.623 3.553 1.00 1.14 H new ATOM 0 HA2 GLY A 4 10.556 -7.309 2.940 1.00 1.30 H new ATOM 0 HA3 GLY A 4 9.388 -7.871 1.761 1.00 1.30 H new ATOM 46 N VAL A 5 9.453 -5.033 2.673 1.00 1.09 N ATOM 47 CA VAL A 5 8.925 -3.687 2.794 1.00 1.17 C ATOM 48 C VAL A 5 9.259 -2.956 1.499 1.00 1.27 C ATOM 49 O VAL A 5 10.431 -2.805 1.160 1.00 1.65 O ATOM 50 CB VAL A 5 9.527 -2.990 4.025 1.00 1.33 C ATOM 51 CG1 VAL A 5 8.879 -1.615 4.229 1.00 2.44 C ATOM 52 CG2 VAL A 5 9.299 -3.829 5.287 1.00 1.72 C ATOM 0 H VAL A 5 10.438 -5.057 2.409 1.00 1.09 H new ATOM 0 HA VAL A 5 7.845 -3.693 2.941 1.00 1.17 H new ATOM 0 HB VAL A 5 10.597 -2.874 3.852 1.00 1.33 H new ATOM 0 HG11 VAL A 5 9.315 -1.133 5.104 1.00 2.44 H new ATOM 0 HG12 VAL A 5 9.054 -0.996 3.349 1.00 2.44 H new ATOM 0 HG13 VAL A 5 7.806 -1.737 4.379 1.00 2.44 H new ATOM 0 HG21 VAL A 5 9.733 -3.318 6.147 1.00 1.72 H new ATOM 0 HG22 VAL A 5 8.229 -3.963 5.446 1.00 1.72 H new ATOM 0 HG23 VAL A 5 9.773 -4.803 5.167 1.00 1.72 H new ATOM 62 N LEU A 6 8.229 -2.533 0.767 1.00 1.20 N ATOM 63 CA LEU A 6 8.363 -1.823 -0.496 1.00 1.32 C ATOM 64 C LEU A 6 7.329 -0.709 -0.464 1.00 1.39 C ATOM 65 O LEU A 6 6.148 -0.947 -0.708 1.00 2.04 O ATOM 66 CB LEU A 6 8.158 -2.815 -1.649 1.00 1.66 C ATOM 67 CG LEU A 6 8.447 -2.251 -3.052 1.00 1.86 C ATOM 68 CD1 LEU A 6 8.742 -3.417 -4.002 1.00 2.78 C ATOM 69 CD2 LEU A 6 7.279 -1.429 -3.618 1.00 1.97 C ATOM 0 H LEU A 6 7.259 -2.680 1.045 1.00 1.20 H new ATOM 0 HA LEU A 6 9.350 -1.385 -0.646 1.00 1.32 H new ATOM 0 HB2 LEU A 6 8.800 -3.680 -1.482 1.00 1.66 H new ATOM 0 HB3 LEU A 6 7.128 -3.172 -1.622 1.00 1.66 H new ATOM 0 HG LEU A 6 9.302 -1.581 -2.965 1.00 1.86 H new ATOM 0 HD11 LEU A 6 8.948 -3.030 -5.000 1.00 2.78 H new ATOM 0 HD12 LEU A 6 9.609 -3.970 -3.641 1.00 2.78 H new ATOM 0 HD13 LEU A 6 7.879 -4.081 -4.042 1.00 2.78 H new ATOM 0 HD21 LEU A 6 7.542 -1.058 -4.609 1.00 1.97 H new ATOM 0 HD22 LEU A 6 6.392 -2.059 -3.690 1.00 1.97 H new ATOM 0 HD23 LEU A 6 7.073 -0.586 -2.958 1.00 1.97 H new ATOM 81 N GLU A 7 7.765 0.497 -0.097 1.00 0.89 N ATOM 82 CA GLU A 7 6.858 1.611 0.076 1.00 0.80 C ATOM 83 C GLU A 7 6.568 2.273 -1.268 1.00 0.80 C ATOM 84 O GLU A 7 7.489 2.554 -2.044 1.00 1.01 O ATOM 85 CB GLU A 7 7.429 2.633 1.057 1.00 0.76 C ATOM 86 CG GLU A 7 7.963 1.990 2.341 1.00 0.82 C ATOM 87 CD GLU A 7 8.272 3.054 3.380 1.00 1.19 C ATOM 88 OE1 GLU A 7 8.721 4.138 2.943 1.00 1.79 O ATOM 89 OE2 GLU A 7 8.011 2.797 4.570 1.00 2.41 O ATOM 0 H GLU A 7 8.744 0.718 0.084 1.00 0.89 H new ATOM 0 HA GLU A 7 5.925 1.228 0.488 1.00 0.80 H new ATOM 0 HB2 GLU A 7 8.233 3.186 0.571 1.00 0.76 H new ATOM 0 HB3 GLU A 7 6.655 3.356 1.313 1.00 0.76 H new ATOM 0 HG2 GLU A 7 7.228 1.289 2.737 1.00 0.82 H new ATOM 0 HG3 GLU A 7 8.863 1.416 2.120 1.00 0.82 H new ATOM 96 N LEU A 8 5.294 2.576 -1.508 1.00 0.76 N ATOM 97 CA LEU A 8 4.843 3.288 -2.689 1.00 0.74 C ATOM 98 C LEU A 8 4.060 4.517 -2.244 1.00 0.74 C ATOM 99 O LEU A 8 3.315 4.458 -1.265 1.00 0.81 O ATOM 100 CB LEU A 8 4.076 2.363 -3.658 1.00 0.84 C ATOM 101 CG LEU A 8 2.887 1.589 -3.070 1.00 0.89 C ATOM 102 CD1 LEU A 8 1.963 1.166 -4.214 1.00 2.11 C ATOM 103 CD2 LEU A 8 3.327 0.314 -2.344 1.00 1.33 C ATOM 0 H LEU A 8 4.537 2.326 -0.872 1.00 0.76 H new ATOM 0 HA LEU A 8 5.697 3.634 -3.272 1.00 0.74 H new ATOM 0 HB2 LEU A 8 3.712 2.966 -4.490 1.00 0.84 H new ATOM 0 HB3 LEU A 8 4.781 1.642 -4.072 1.00 0.84 H new ATOM 0 HG LEU A 8 2.390 2.246 -2.357 1.00 0.89 H new ATOM 0 HD11 LEU A 8 1.113 0.615 -3.811 1.00 2.11 H new ATOM 0 HD12 LEU A 8 1.605 2.052 -4.739 1.00 2.11 H new ATOM 0 HD13 LEU A 8 2.512 0.530 -4.909 1.00 2.11 H new ATOM 0 HD21 LEU A 8 2.451 -0.199 -1.946 1.00 1.33 H new ATOM 0 HD22 LEU A 8 3.845 -0.343 -3.043 1.00 1.33 H new ATOM 0 HD23 LEU A 8 3.998 0.574 -1.526 1.00 1.33 H new ATOM 115 N VAL A 9 4.270 5.644 -2.928 1.00 0.76 N ATOM 116 CA VAL A 9 3.448 6.824 -2.755 1.00 0.83 C ATOM 117 C VAL A 9 2.205 6.613 -3.609 1.00 0.86 C ATOM 118 O VAL A 9 2.305 6.473 -4.828 1.00 0.96 O ATOM 119 CB VAL A 9 4.223 8.113 -3.080 1.00 0.92 C ATOM 120 CG1 VAL A 9 3.291 9.300 -3.340 1.00 1.09 C ATOM 121 CG2 VAL A 9 5.085 8.502 -1.872 1.00 0.99 C ATOM 0 H VAL A 9 5.016 5.755 -3.615 1.00 0.76 H new ATOM 0 HA VAL A 9 3.151 6.959 -1.715 1.00 0.83 H new ATOM 0 HB VAL A 9 4.815 7.908 -3.972 1.00 0.92 H new ATOM 0 HG11 VAL A 9 3.885 10.186 -3.565 1.00 1.09 H new ATOM 0 HG12 VAL A 9 2.641 9.074 -4.186 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.683 9.486 -2.455 1.00 1.09 H new ATOM 0 HG21 VAL A 9 5.636 9.415 -2.097 1.00 0.99 H new ATOM 0 HG22 VAL A 9 4.444 8.669 -1.006 1.00 0.99 H new ATOM 0 HG23 VAL A 9 5.788 7.698 -1.653 1.00 0.99 H new ATOM 131 N VAL A 10 1.050 6.541 -2.954 1.00 1.06 N ATOM 132 CA VAL A 10 -0.255 6.373 -3.555 1.00 1.12 C ATOM 133 C VAL A 10 -0.936 7.738 -3.495 1.00 1.18 C ATOM 134 O VAL A 10 -1.651 8.064 -2.549 1.00 1.69 O ATOM 135 CB VAL A 10 -0.992 5.187 -2.901 1.00 1.18 C ATOM 136 CG1 VAL A 10 -0.078 3.957 -2.876 1.00 1.53 C ATOM 137 CG2 VAL A 10 -1.432 5.417 -1.460 1.00 1.36 C ATOM 0 H VAL A 10 1.005 6.602 -1.937 1.00 1.06 H new ATOM 0 HA VAL A 10 -0.229 6.085 -4.606 1.00 1.12 H new ATOM 0 HB VAL A 10 -1.885 5.053 -3.512 1.00 1.18 H new ATOM 0 HG11 VAL A 10 -0.604 3.122 -2.413 1.00 1.53 H new ATOM 0 HG12 VAL A 10 0.200 3.690 -3.895 1.00 1.53 H new ATOM 0 HG13 VAL A 10 0.821 4.183 -2.302 1.00 1.53 H new ATOM 0 HG21 VAL A 10 -1.941 4.527 -1.088 1.00 1.36 H new ATOM 0 HG22 VAL A 10 -0.558 5.621 -0.841 1.00 1.36 H new ATOM 0 HG23 VAL A 10 -2.112 6.268 -1.419 1.00 1.36 H new ATOM 147 N ARG A 11 -0.633 8.593 -4.474 1.00 0.88 N ATOM 148 CA ARG A 11 -1.049 9.985 -4.389 1.00 0.87 C ATOM 149 C ARG A 11 -2.578 10.052 -4.435 1.00 0.68 C ATOM 150 O ARG A 11 -3.200 9.315 -5.200 1.00 0.88 O ATOM 151 CB ARG A 11 -0.320 10.846 -5.437 1.00 1.19 C ATOM 152 CG ARG A 11 -0.209 12.339 -5.070 1.00 1.37 C ATOM 153 CD ARG A 11 -1.418 13.183 -5.500 1.00 2.72 C ATOM 154 NE ARG A 11 -1.659 13.090 -6.948 1.00 3.72 N ATOM 155 CZ ARG A 11 -1.015 13.749 -7.922 1.00 4.20 C ATOM 156 NH1 ARG A 11 -0.132 14.704 -7.608 1.00 4.13 N ATOM 157 NH2 ARG A 11 -1.245 13.452 -9.202 1.00 5.52 N ATOM 0 H ARG A 11 -0.112 8.349 -5.316 1.00 0.88 H new ATOM 0 HA ARG A 11 -0.752 10.423 -3.436 1.00 0.87 H new ATOM 0 HB2 ARG A 11 0.683 10.445 -5.584 1.00 1.19 H new ATOM 0 HB3 ARG A 11 -0.842 10.757 -6.390 1.00 1.19 H new ATOM 0 HG2 ARG A 11 -0.083 12.428 -3.991 1.00 1.37 H new ATOM 0 HG3 ARG A 11 0.689 12.749 -5.531 1.00 1.37 H new ATOM 0 HD2 ARG A 11 -2.305 12.849 -4.961 1.00 2.72 H new ATOM 0 HD3 ARG A 11 -1.251 14.224 -5.225 1.00 2.72 H new ATOM 0 HE ARG A 11 -2.399 12.453 -7.244 1.00 3.72 H new ATOM 0 HH11 ARG A 11 0.050 14.929 -6.630 1.00 4.13 H new ATOM 0 HH12 ARG A 11 0.359 15.207 -8.347 1.00 4.13 H new ATOM 0 HH21 ARG A 11 -1.914 12.721 -9.444 1.00 5.52 H new ATOM 0 HH22 ARG A 11 -0.752 13.956 -9.939 1.00 5.52 H new ATOM 171 N GLY A 12 -3.178 10.881 -3.575 1.00 1.00 N ATOM 172 CA GLY A 12 -4.612 11.158 -3.594 1.00 1.20 C ATOM 173 C GLY A 12 -5.316 10.844 -2.274 1.00 1.05 C ATOM 174 O GLY A 12 -6.518 11.083 -2.157 1.00 1.12 O ATOM 0 H GLY A 12 -2.675 11.381 -2.842 1.00 1.00 H new ATOM 0 HA2 GLY A 12 -4.767 12.209 -3.837 1.00 1.20 H new ATOM 0 HA3 GLY A 12 -5.075 10.575 -4.390 1.00 1.20 H new ATOM 178 N MET A 13 -4.604 10.323 -1.267 1.00 1.03 N ATOM 179 CA MET A 13 -5.188 10.109 0.053 1.00 1.02 C ATOM 180 C MET A 13 -5.484 11.444 0.747 1.00 1.38 C ATOM 181 O MET A 13 -4.722 11.888 1.603 1.00 2.21 O ATOM 182 CB MET A 13 -4.267 9.236 0.903 1.00 1.10 C ATOM 183 CG MET A 13 -4.092 7.841 0.305 1.00 1.08 C ATOM 184 SD MET A 13 -3.275 6.677 1.415 1.00 1.78 S ATOM 185 CE MET A 13 -1.638 7.413 1.521 1.00 1.26 C ATOM 0 H MET A 13 -3.626 10.044 -1.345 1.00 1.03 H new ATOM 0 HA MET A 13 -6.137 9.587 -0.069 1.00 1.02 H new ATOM 0 HB2 MET A 13 -3.293 9.717 0.994 1.00 1.10 H new ATOM 0 HB3 MET A 13 -4.675 9.151 1.910 1.00 1.10 H new ATOM 0 HG2 MET A 13 -5.071 7.446 0.034 1.00 1.08 H new ATOM 0 HG3 MET A 13 -3.514 7.919 -0.616 1.00 1.08 H new ATOM 0 HE1 MET A 13 -0.941 6.690 1.944 1.00 1.26 H new ATOM 0 HE2 MET A 13 -1.303 7.701 0.524 1.00 1.26 H new ATOM 0 HE3 MET A 13 -1.677 8.296 2.159 1.00 1.26 H new ATOM 195 N THR A 14 -6.594 12.081 0.366 1.00 1.18 N ATOM 196 CA THR A 14 -6.959 13.428 0.786 1.00 1.50 C ATOM 197 C THR A 14 -6.883 13.614 2.308 1.00 2.08 C ATOM 198 O THR A 14 -6.212 14.531 2.777 1.00 3.24 O ATOM 199 CB THR A 14 -8.310 13.832 0.162 1.00 1.76 C ATOM 200 OG1 THR A 14 -8.609 15.176 0.471 1.00 2.46 O ATOM 201 CG2 THR A 14 -9.494 12.956 0.590 1.00 2.34 C ATOM 0 H THR A 14 -7.280 11.659 -0.260 1.00 1.18 H new ATOM 0 HA THR A 14 -6.216 14.126 0.401 1.00 1.50 H new ATOM 0 HB THR A 14 -8.182 13.690 -0.911 1.00 1.76 H new ATOM 0 HG1 THR A 14 -9.468 15.421 0.068 1.00 2.46 H new ATOM 0 HG21 THR A 14 -10.403 13.311 0.105 1.00 2.34 H new ATOM 0 HG22 THR A 14 -9.306 11.923 0.298 1.00 2.34 H new ATOM 0 HG23 THR A 14 -9.615 13.011 1.672 1.00 2.34 H new ATOM 209 N CYS A 15 -7.542 12.747 3.088 1.00 1.78 N ATOM 210 CA CYS A 15 -7.490 12.780 4.550 1.00 2.55 C ATOM 211 C CYS A 15 -8.145 11.516 5.115 1.00 1.66 C ATOM 212 O CYS A 15 -7.535 10.448 5.084 1.00 2.25 O ATOM 213 CB CYS A 15 -8.085 14.088 5.121 1.00 3.93 C ATOM 214 SG CYS A 15 -6.787 15.184 5.752 1.00 5.95 S ATOM 0 H CYS A 15 -8.129 12.000 2.717 1.00 1.78 H new ATOM 0 HA CYS A 15 -6.448 12.782 4.871 1.00 2.55 H new ATOM 0 HB2 CYS A 15 -8.651 14.602 4.344 1.00 3.93 H new ATOM 0 HB3 CYS A 15 -8.785 13.852 5.922 1.00 3.93 H new ATOM 0 HG CYS A 15 -5.895 15.378 4.826 1.00 5.95 H new ATOM 220 N ALA A 16 -9.380 11.607 5.624 1.00 0.97 N ATOM 221 CA ALA A 16 -10.029 10.488 6.290 1.00 1.15 C ATOM 222 C ALA A 16 -10.488 9.454 5.275 1.00 1.28 C ATOM 223 O ALA A 16 -10.479 9.700 4.065 1.00 2.79 O ATOM 224 CB ALA A 16 -11.221 10.962 7.122 1.00 1.73 C ATOM 0 H ALA A 16 -9.947 12.454 5.583 1.00 0.97 H new ATOM 0 HA ALA A 16 -9.299 10.030 6.958 1.00 1.15 H new ATOM 0 HB1 ALA A 16 -11.688 10.106 7.609 1.00 1.73 H new ATOM 0 HB2 ALA A 16 -10.879 11.668 7.879 1.00 1.73 H new ATOM 0 HB3 ALA A 16 -11.947 11.450 6.472 1.00 1.73 H new ATOM 230 N SER A 17 -10.885 8.292 5.795 1.00 0.68 N ATOM 231 CA SER A 17 -11.344 7.134 5.049 1.00 0.59 C ATOM 232 C SER A 17 -10.179 6.508 4.288 1.00 0.56 C ATOM 233 O SER A 17 -9.812 5.380 4.578 1.00 0.68 O ATOM 234 CB SER A 17 -12.547 7.473 4.161 1.00 0.76 C ATOM 235 OG SER A 17 -13.518 8.154 4.934 1.00 1.51 O ATOM 0 H SER A 17 -10.893 8.131 6.802 1.00 0.68 H new ATOM 0 HA SER A 17 -11.709 6.381 5.747 1.00 0.59 H new ATOM 0 HB2 SER A 17 -12.232 8.094 3.322 1.00 0.76 H new ATOM 0 HB3 SER A 17 -12.973 6.562 3.741 1.00 0.76 H new ATOM 0 HG SER A 17 -14.289 8.375 4.370 1.00 1.51 H new ATOM 241 N CYS A 18 -9.581 7.249 3.352 1.00 0.54 N ATOM 242 CA CYS A 18 -8.486 6.845 2.478 1.00 0.57 C ATOM 243 C CYS A 18 -7.491 5.948 3.207 1.00 0.53 C ATOM 244 O CYS A 18 -7.191 4.852 2.739 1.00 0.53 O ATOM 245 CB CYS A 18 -7.763 8.084 1.933 1.00 0.76 C ATOM 246 SG CYS A 18 -8.858 9.098 0.909 1.00 0.99 S ATOM 0 H CYS A 18 -9.871 8.211 3.176 1.00 0.54 H new ATOM 0 HA CYS A 18 -8.912 6.277 1.651 1.00 0.57 H new ATOM 0 HB2 CYS A 18 -7.385 8.680 2.764 1.00 0.76 H new ATOM 0 HB3 CYS A 18 -6.899 7.773 1.345 1.00 0.76 H new ATOM 0 HG CYS A 18 -9.298 10.103 1.607 1.00 0.99 H new ATOM 252 N VAL A 19 -7.031 6.408 4.373 1.00 0.52 N ATOM 253 CA VAL A 19 -6.168 5.653 5.267 1.00 0.53 C ATOM 254 C VAL A 19 -6.696 4.217 5.426 1.00 0.49 C ATOM 255 O VAL A 19 -6.133 3.268 4.877 1.00 0.46 O ATOM 256 CB VAL A 19 -6.042 6.408 6.607 1.00 0.59 C ATOM 257 CG1 VAL A 19 -5.245 5.615 7.651 1.00 0.76 C ATOM 258 CG2 VAL A 19 -5.340 7.758 6.397 1.00 0.70 C ATOM 0 H VAL A 19 -7.257 7.338 4.724 1.00 0.52 H new ATOM 0 HA VAL A 19 -5.165 5.565 4.849 1.00 0.53 H new ATOM 0 HB VAL A 19 -7.058 6.552 6.975 1.00 0.59 H new ATOM 0 HG11 VAL A 19 -5.185 6.189 8.576 1.00 0.76 H new ATOM 0 HG12 VAL A 19 -5.744 4.665 7.845 1.00 0.76 H new ATOM 0 HG13 VAL A 19 -4.239 5.426 7.275 1.00 0.76 H new ATOM 0 HG21 VAL A 19 -5.259 8.278 7.351 1.00 0.70 H new ATOM 0 HG22 VAL A 19 -4.343 7.590 5.989 1.00 0.70 H new ATOM 0 HG23 VAL A 19 -5.919 8.365 5.701 1.00 0.70 H new ATOM 268 N HIS A 20 -7.825 4.060 6.124 1.00 0.55 N ATOM 269 CA HIS A 20 -8.380 2.750 6.422 1.00 0.59 C ATOM 270 C HIS A 20 -8.820 2.029 5.139 1.00 0.56 C ATOM 271 O HIS A 20 -8.902 0.807 5.119 1.00 0.61 O ATOM 272 CB HIS A 20 -9.446 2.853 7.533 1.00 0.69 C ATOM 273 CG HIS A 20 -10.876 2.537 7.170 1.00 0.68 C ATOM 274 ND1 HIS A 20 -11.561 2.956 6.063 1.00 0.98 N flip ATOM 275 CD2 HIS A 20 -11.759 1.834 7.955 1.00 0.59 C flip ATOM 276 CE1 HIS A 20 -12.872 2.492 6.158 1.00 1.03 C flip ATOM 277 NE2 HIS A 20 -12.943 1.823 7.320 1.00 0.76 N flip ATOM 0 H HIS A 20 -8.372 4.837 6.494 1.00 0.55 H new ATOM 0 HA HIS A 20 -7.607 2.103 6.838 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -9.151 2.185 8.343 1.00 0.69 H new ATOM 0 HB3 HIS A 20 -9.418 3.868 7.930 1.00 0.69 H new ATOM 0 HD2 HIS A 20 -11.541 1.375 8.908 1.00 0.59 H new ATOM 0 HE1 HIS A 20 -13.668 2.640 5.443 1.00 1.03 H new ATOM 0 HE2 HIS A 20 -13.784 1.367 7.674 1.00 0.76 H new ATOM 285 N LYS A 21 -9.111 2.774 4.066 1.00 0.54 N ATOM 286 CA LYS A 21 -9.551 2.240 2.786 1.00 0.56 C ATOM 287 C LYS A 21 -8.465 1.299 2.278 1.00 0.58 C ATOM 288 O LYS A 21 -8.727 0.147 1.942 1.00 0.77 O ATOM 289 CB LYS A 21 -9.815 3.404 1.807 1.00 0.62 C ATOM 290 CG LYS A 21 -10.948 3.200 0.791 1.00 0.81 C ATOM 291 CD LYS A 21 -10.561 2.287 -0.382 1.00 1.17 C ATOM 292 CE LYS A 21 -11.583 2.386 -1.532 1.00 1.54 C ATOM 293 NZ LYS A 21 -11.486 3.642 -2.313 1.00 3.12 N ATOM 0 H LYS A 21 -9.043 3.792 4.072 1.00 0.54 H new ATOM 0 HA LYS A 21 -10.483 1.684 2.883 1.00 0.56 H new ATOM 0 HB2 LYS A 21 -10.037 4.297 2.391 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -8.895 3.603 1.257 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -11.812 2.775 1.302 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -11.254 4.170 0.400 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -9.572 2.561 -0.748 1.00 1.17 H new ATOM 0 HD3 LYS A 21 -10.498 1.255 -0.037 1.00 1.17 H new ATOM 0 HE2 LYS A 21 -11.442 1.540 -2.204 1.00 1.54 H new ATOM 0 HE3 LYS A 21 -12.589 2.302 -1.120 1.00 1.54 H new ATOM 0 HZ1 LYS A 21 -12.436 3.937 -2.616 1.00 3.12 H new ATOM 0 HZ2 LYS A 21 -11.065 4.387 -1.722 1.00 3.12 H new ATOM 0 HZ3 LYS A 21 -10.889 3.485 -3.150 1.00 3.12 H new ATOM 307 N ILE A 22 -7.233 1.804 2.240 1.00 0.48 N ATOM 308 CA ILE A 22 -6.104 1.086 1.675 1.00 0.45 C ATOM 309 C ILE A 22 -5.676 0.001 2.659 1.00 0.51 C ATOM 310 O ILE A 22 -5.690 -1.176 2.310 1.00 0.55 O ATOM 311 CB ILE A 22 -4.993 2.077 1.297 1.00 0.51 C ATOM 312 CG1 ILE A 22 -5.562 3.072 0.272 1.00 0.51 C ATOM 313 CG2 ILE A 22 -3.757 1.335 0.782 1.00 0.61 C ATOM 314 CD1 ILE A 22 -4.533 4.030 -0.317 1.00 0.94 C ATOM 0 H ILE A 22 -6.994 2.727 2.603 1.00 0.48 H new ATOM 0 HA ILE A 22 -6.371 0.581 0.747 1.00 0.45 H new ATOM 0 HB ILE A 22 -4.662 2.636 2.173 1.00 0.51 H new ATOM 0 HG12 ILE A 22 -6.025 2.512 -0.540 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -6.351 3.654 0.749 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -2.983 2.056 0.520 1.00 0.61 H new ATOM 0 HG22 ILE A 22 -3.384 0.667 1.559 1.00 0.61 H new ATOM 0 HG23 ILE A 22 -4.024 0.752 -0.100 1.00 0.61 H new ATOM 0 HD11 ILE A 22 -5.021 4.695 -1.029 1.00 0.94 H new ATOM 0 HD12 ILE A 22 -4.086 4.620 0.483 1.00 0.94 H new ATOM 0 HD13 ILE A 22 -3.755 3.461 -0.826 1.00 0.94 H new ATOM 326 N GLU A 23 -5.362 0.398 3.894 1.00 0.56 N ATOM 327 CA GLU A 23 -5.118 -0.489 5.025 1.00 0.50 C ATOM 328 C GLU A 23 -6.060 -1.695 5.022 1.00 0.46 C ATOM 329 O GLU A 23 -5.616 -2.824 4.824 1.00 0.49 O ATOM 330 CB GLU A 23 -5.259 0.342 6.308 1.00 0.52 C ATOM 331 CG GLU A 23 -3.887 0.773 6.839 1.00 0.94 C ATOM 332 CD GLU A 23 -3.981 2.052 7.660 1.00 2.19 C ATOM 333 OE1 GLU A 23 -4.981 2.184 8.396 1.00 2.95 O ATOM 334 OE2 GLU A 23 -3.054 2.880 7.511 1.00 3.49 O ATOM 0 H GLU A 23 -5.268 1.384 4.139 1.00 0.56 H new ATOM 0 HA GLU A 23 -4.113 -0.905 4.958 1.00 0.50 H new ATOM 0 HB2 GLU A 23 -5.869 1.223 6.109 1.00 0.52 H new ATOM 0 HB3 GLU A 23 -5.780 -0.241 7.068 1.00 0.52 H new ATOM 0 HG2 GLU A 23 -3.467 -0.024 7.453 1.00 0.94 H new ATOM 0 HG3 GLU A 23 -3.204 0.926 6.003 1.00 0.94 H new ATOM 341 N SER A 24 -7.360 -1.456 5.206 1.00 0.45 N ATOM 342 CA SER A 24 -8.350 -2.518 5.339 1.00 0.50 C ATOM 343 C SER A 24 -8.415 -3.348 4.058 1.00 0.49 C ATOM 344 O SER A 24 -8.578 -4.566 4.104 1.00 0.63 O ATOM 345 CB SER A 24 -9.728 -1.942 5.694 1.00 0.57 C ATOM 346 OG SER A 24 -10.606 -2.971 6.111 1.00 1.46 O ATOM 0 H SER A 24 -7.753 -0.517 5.267 1.00 0.45 H new ATOM 0 HA SER A 24 -8.045 -3.173 6.155 1.00 0.50 H new ATOM 0 HB2 SER A 24 -9.625 -1.201 6.487 1.00 0.57 H new ATOM 0 HB3 SER A 24 -10.147 -1.428 4.829 1.00 0.57 H new ATOM 0 HG SER A 24 -11.479 -2.586 6.335 1.00 1.46 H new ATOM 352 N SER A 25 -8.305 -2.694 2.900 1.00 0.46 N ATOM 353 CA SER A 25 -8.267 -3.403 1.634 1.00 0.52 C ATOM 354 C SER A 25 -7.012 -4.263 1.506 1.00 0.52 C ATOM 355 O SER A 25 -7.021 -5.217 0.733 1.00 0.72 O ATOM 356 CB SER A 25 -8.356 -2.402 0.490 1.00 0.61 C ATOM 357 OG SER A 25 -8.451 -3.073 -0.755 1.00 0.87 O ATOM 0 H SER A 25 -8.241 -1.679 2.820 1.00 0.46 H new ATOM 0 HA SER A 25 -9.122 -4.078 1.591 1.00 0.52 H new ATOM 0 HB2 SER A 25 -9.225 -1.759 0.630 1.00 0.61 H new ATOM 0 HB3 SER A 25 -7.477 -1.757 0.495 1.00 0.61 H new ATOM 0 HG SER A 25 -9.288 -2.823 -1.198 1.00 0.87 H new ATOM 363 N LEU A 26 -5.936 -3.920 2.208 1.00 0.50 N ATOM 364 CA LEU A 26 -4.679 -4.647 2.177 1.00 0.52 C ATOM 365 C LEU A 26 -4.650 -5.796 3.182 1.00 0.54 C ATOM 366 O LEU A 26 -4.228 -6.893 2.814 1.00 0.63 O ATOM 367 CB LEU A 26 -3.489 -3.697 2.315 1.00 0.54 C ATOM 368 CG LEU A 26 -3.053 -3.267 0.907 1.00 0.71 C ATOM 369 CD1 LEU A 26 -2.227 -1.992 0.977 1.00 1.80 C ATOM 370 CD2 LEU A 26 -2.216 -4.338 0.191 1.00 2.39 C ATOM 0 H LEU A 26 -5.917 -3.110 2.827 1.00 0.50 H new ATOM 0 HA LEU A 26 -4.592 -5.117 1.197 1.00 0.52 H new ATOM 0 HB2 LEU A 26 -3.765 -2.826 2.910 1.00 0.54 H new ATOM 0 HB3 LEU A 26 -2.667 -4.190 2.834 1.00 0.54 H new ATOM 0 HG LEU A 26 -3.970 -3.109 0.340 1.00 0.71 H new ATOM 0 HD11 LEU A 26 -1.925 -1.699 -0.028 1.00 1.80 H new ATOM 0 HD12 LEU A 26 -2.823 -1.196 1.423 1.00 1.80 H new ATOM 0 HD13 LEU A 26 -1.340 -2.166 1.586 1.00 1.80 H new ATOM 0 HD21 LEU A 26 -1.936 -3.979 -0.799 1.00 2.39 H new ATOM 0 HD22 LEU A 26 -1.316 -4.544 0.770 1.00 2.39 H new ATOM 0 HD23 LEU A 26 -2.801 -5.252 0.094 1.00 2.39 H new ATOM 382 N THR A 27 -5.099 -5.579 4.422 1.00 0.53 N ATOM 383 CA THR A 27 -5.108 -6.587 5.480 1.00 0.59 C ATOM 384 C THR A 27 -6.181 -7.655 5.220 1.00 0.69 C ATOM 385 O THR A 27 -7.115 -7.836 5.997 1.00 1.53 O ATOM 386 CB THR A 27 -5.282 -5.887 6.838 1.00 0.68 C ATOM 387 OG1 THR A 27 -6.310 -4.924 6.745 1.00 0.78 O ATOM 388 CG2 THR A 27 -3.998 -5.161 7.251 1.00 0.81 C ATOM 0 H THR A 27 -5.473 -4.679 4.722 1.00 0.53 H new ATOM 0 HA THR A 27 -4.156 -7.118 5.492 1.00 0.59 H new ATOM 0 HB THR A 27 -5.525 -6.650 7.578 1.00 0.68 H new ATOM 0 HG1 THR A 27 -6.421 -4.480 7.611 1.00 0.78 H new ATOM 0 HG21 THR A 27 -4.149 -4.675 8.215 1.00 0.81 H new ATOM 0 HG22 THR A 27 -3.183 -5.880 7.331 1.00 0.81 H new ATOM 0 HG23 THR A 27 -3.747 -4.411 6.501 1.00 0.81 H new ATOM 396 N LYS A 28 -6.032 -8.364 4.098 1.00 1.06 N ATOM 397 CA LYS A 28 -7.050 -9.209 3.483 1.00 0.92 C ATOM 398 C LYS A 28 -6.514 -10.040 2.302 1.00 0.82 C ATOM 399 O LYS A 28 -7.096 -11.084 2.012 1.00 1.03 O ATOM 400 CB LYS A 28 -8.279 -8.361 3.100 1.00 1.03 C ATOM 401 CG LYS A 28 -8.197 -7.684 1.728 1.00 1.13 C ATOM 402 CD LYS A 28 -8.886 -8.486 0.608 1.00 1.69 C ATOM 403 CE LYS A 28 -8.220 -8.271 -0.760 1.00 2.51 C ATOM 404 NZ LYS A 28 -8.047 -6.844 -1.106 1.00 3.68 N ATOM 0 H LYS A 28 -5.158 -8.362 3.573 1.00 1.06 H new ATOM 0 HA LYS A 28 -7.360 -9.945 4.224 1.00 0.92 H new ATOM 0 HB2 LYS A 28 -9.163 -8.999 3.121 1.00 1.03 H new ATOM 0 HB3 LYS A 28 -8.422 -7.592 3.860 1.00 1.03 H new ATOM 0 HG2 LYS A 28 -8.653 -6.696 1.791 1.00 1.13 H new ATOM 0 HG3 LYS A 28 -7.149 -7.535 1.467 1.00 1.13 H new ATOM 0 HD2 LYS A 28 -8.863 -9.547 0.858 1.00 1.69 H new ATOM 0 HD3 LYS A 28 -9.935 -8.195 0.548 1.00 1.69 H new ATOM 0 HE2 LYS A 28 -7.246 -8.760 -0.763 1.00 2.51 H new ATOM 0 HE3 LYS A 28 -8.822 -8.754 -1.530 1.00 2.51 H new ATOM 0 HZ1 LYS A 28 -7.162 -6.721 -1.639 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 -8.849 -6.528 -1.688 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 -8.008 -6.278 -0.235 1.00 3.68 H new ATOM 418 N HIS A 29 -5.455 -9.591 1.597 1.00 0.79 N ATOM 419 CA HIS A 29 -4.801 -10.402 0.564 1.00 0.94 C ATOM 420 C HIS A 29 -4.081 -11.612 1.211 1.00 1.14 C ATOM 421 O HIS A 29 -4.696 -12.355 1.978 1.00 2.60 O ATOM 422 CB HIS A 29 -3.848 -9.538 -0.292 1.00 1.08 C ATOM 423 CG HIS A 29 -4.459 -8.412 -1.091 1.00 0.78 C ATOM 424 ND1 HIS A 29 -4.403 -8.266 -2.462 1.00 1.42 N ATOM 425 CD2 HIS A 29 -4.996 -7.259 -0.589 1.00 0.72 C ATOM 426 CE1 HIS A 29 -4.958 -7.086 -2.771 1.00 1.80 C ATOM 427 NE2 HIS A 29 -5.386 -6.453 -1.665 1.00 1.44 N ATOM 0 H HIS A 29 -5.038 -8.669 1.729 1.00 0.79 H new ATOM 0 HA HIS A 29 -5.559 -10.797 -0.113 1.00 0.94 H new ATOM 0 HB2 HIS A 29 -3.095 -9.111 0.370 1.00 1.08 H new ATOM 0 HB3 HIS A 29 -3.326 -10.198 -0.985 1.00 1.08 H new ATOM 0 HD1 HIS A 29 -4.009 -8.936 -3.122 1.00 1.42 H new ATOM 0 HD2 HIS A 29 -5.101 -7.013 0.457 1.00 0.72 H new ATOM 0 HE1 HIS A 29 -5.049 -6.696 -3.774 1.00 1.80 H new ATOM 435 N ARG A 30 -2.793 -11.821 0.893 1.00 1.63 N ATOM 436 CA ARG A 30 -1.854 -12.817 1.415 1.00 1.87 C ATOM 437 C ARG A 30 -0.504 -12.106 1.434 1.00 1.92 C ATOM 438 O ARG A 30 -0.359 -11.072 0.785 1.00 3.15 O ATOM 439 CB ARG A 30 -1.777 -14.061 0.492 1.00 2.56 C ATOM 440 CG ARG A 30 -2.441 -15.337 1.043 1.00 2.79 C ATOM 441 CD ARG A 30 -3.846 -14.970 1.499 1.00 2.76 C ATOM 442 NE ARG A 30 -4.738 -16.080 1.828 1.00 3.12 N ATOM 443 CZ ARG A 30 -5.968 -15.831 2.311 1.00 4.40 C ATOM 444 NH1 ARG A 30 -6.376 -14.560 2.467 1.00 5.61 N ATOM 445 NH2 ARG A 30 -6.776 -16.847 2.633 1.00 5.29 N ATOM 0 H ARG A 30 -2.341 -11.234 0.192 1.00 1.63 H new ATOM 0 HA ARG A 30 -2.161 -13.177 2.397 1.00 1.87 H new ATOM 0 HB2 ARG A 30 -2.242 -13.813 -0.462 1.00 2.56 H new ATOM 0 HB3 ARG A 30 -0.728 -14.277 0.289 1.00 2.56 H new ATOM 0 HG2 ARG A 30 -2.478 -16.110 0.276 1.00 2.79 H new ATOM 0 HG3 ARG A 30 -1.863 -15.740 1.874 1.00 2.79 H new ATOM 0 HD2 ARG A 30 -3.763 -14.328 2.376 1.00 2.76 H new ATOM 0 HD3 ARG A 30 -4.315 -14.377 0.714 1.00 2.76 H new ATOM 0 HE ARG A 30 -4.428 -17.042 1.691 1.00 3.12 H new ATOM 0 HH11 ARG A 30 -5.754 -13.791 2.219 1.00 5.61 H new ATOM 0 HH12 ARG A 30 -7.308 -14.365 2.833 1.00 5.61 H new ATOM 0 HH21 ARG A 30 -6.459 -17.809 2.512 1.00 5.29 H new ATOM 0 HH22 ARG A 30 -7.709 -16.660 3.000 1.00 5.29 H new ATOM 459 N GLY A 31 0.476 -12.631 2.168 1.00 1.55 N ATOM 460 CA GLY A 31 1.797 -12.025 2.260 1.00 1.58 C ATOM 461 C GLY A 31 1.777 -10.795 3.157 1.00 1.23 C ATOM 462 O GLY A 31 2.469 -10.776 4.168 1.00 1.58 O ATOM 0 H GLY A 31 0.374 -13.487 2.713 1.00 1.55 H new ATOM 0 HA2 GLY A 31 2.507 -12.753 2.652 1.00 1.58 H new ATOM 0 HA3 GLY A 31 2.143 -11.747 1.264 1.00 1.58 H new ATOM 466 N ILE A 32 0.999 -9.770 2.794 1.00 1.23 N ATOM 467 CA ILE A 32 0.774 -8.607 3.643 1.00 0.84 C ATOM 468 C ILE A 32 0.336 -9.078 5.032 1.00 0.79 C ATOM 469 O ILE A 32 -0.750 -9.635 5.189 1.00 1.26 O ATOM 470 CB ILE A 32 -0.130 -7.555 2.958 1.00 1.11 C ATOM 471 CG1 ILE A 32 -0.518 -6.329 3.806 1.00 0.80 C ATOM 472 CG2 ILE A 32 -1.378 -8.121 2.289 1.00 2.27 C ATOM 473 CD1 ILE A 32 -1.301 -6.605 5.085 1.00 1.95 C ATOM 0 H ILE A 32 0.509 -9.728 1.900 1.00 1.23 H new ATOM 0 HA ILE A 32 1.702 -8.056 3.796 1.00 0.84 H new ATOM 0 HB ILE A 32 0.549 -7.198 2.183 1.00 1.11 H new ATOM 0 HG12 ILE A 32 0.395 -5.797 4.073 1.00 0.80 H new ATOM 0 HG13 ILE A 32 -1.108 -5.657 3.183 1.00 0.80 H new ATOM 0 HG21 ILE A 32 -1.948 -7.310 1.837 1.00 2.27 H new ATOM 0 HG22 ILE A 32 -1.086 -8.833 1.517 1.00 2.27 H new ATOM 0 HG23 ILE A 32 -1.993 -8.625 3.034 1.00 2.27 H new ATOM 0 HD11 ILE A 32 -1.513 -5.664 5.592 1.00 1.95 H new ATOM 0 HD12 ILE A 32 -2.238 -7.103 4.837 1.00 1.95 H new ATOM 0 HD13 ILE A 32 -0.712 -7.245 5.741 1.00 1.95 H new ATOM 485 N LEU A 33 1.210 -8.868 6.022 1.00 0.65 N ATOM 486 CA LEU A 33 0.991 -9.182 7.427 1.00 0.91 C ATOM 487 C LEU A 33 0.784 -7.907 8.247 1.00 0.82 C ATOM 488 O LEU A 33 0.136 -7.955 9.291 1.00 0.97 O ATOM 489 CB LEU A 33 2.110 -10.094 7.956 1.00 1.43 C ATOM 490 CG LEU A 33 3.535 -9.509 7.953 1.00 1.36 C ATOM 491 CD1 LEU A 33 3.861 -8.752 9.248 1.00 2.41 C ATOM 492 CD2 LEU A 33 4.536 -10.658 7.795 1.00 2.01 C ATOM 0 H LEU A 33 2.128 -8.456 5.852 1.00 0.65 H new ATOM 0 HA LEU A 33 0.066 -9.749 7.533 1.00 0.91 H new ATOM 0 HB2 LEU A 33 1.861 -10.381 8.978 1.00 1.43 H new ATOM 0 HB3 LEU A 33 2.115 -11.007 7.361 1.00 1.43 H new ATOM 0 HG LEU A 33 3.601 -8.801 7.127 1.00 1.36 H new ATOM 0 HD11 LEU A 33 4.877 -8.360 9.194 1.00 2.41 H new ATOM 0 HD12 LEU A 33 3.160 -7.927 9.374 1.00 2.41 H new ATOM 0 HD13 LEU A 33 3.779 -9.431 10.097 1.00 2.41 H new ATOM 0 HD21 LEU A 33 5.550 -10.259 7.791 1.00 2.01 H new ATOM 0 HD22 LEU A 33 4.424 -11.355 8.625 1.00 2.01 H new ATOM 0 HD23 LEU A 33 4.347 -11.178 6.856 1.00 2.01 H new ATOM 504 N TYR A 34 1.280 -6.758 7.770 1.00 0.69 N ATOM 505 CA TYR A 34 0.920 -5.456 8.316 1.00 0.65 C ATOM 506 C TYR A 34 0.885 -4.436 7.178 1.00 0.57 C ATOM 507 O TYR A 34 1.471 -4.660 6.118 1.00 0.81 O ATOM 508 CB TYR A 34 1.880 -5.060 9.450 1.00 0.71 C ATOM 509 CG TYR A 34 1.583 -3.708 10.065 1.00 0.75 C ATOM 510 CD1 TYR A 34 0.498 -3.567 10.948 1.00 1.73 C ATOM 511 CD2 TYR A 34 2.298 -2.567 9.649 1.00 2.32 C ATOM 512 CE1 TYR A 34 0.129 -2.295 11.416 1.00 1.74 C ATOM 513 CE2 TYR A 34 1.935 -1.297 10.126 1.00 2.40 C ATOM 514 CZ TYR A 34 0.847 -1.159 11.004 1.00 0.98 C ATOM 515 OH TYR A 34 0.510 0.074 11.475 1.00 1.14 O ATOM 0 H TYR A 34 1.941 -6.712 6.995 1.00 0.69 H new ATOM 0 HA TYR A 34 -0.073 -5.493 8.763 1.00 0.65 H new ATOM 0 HB2 TYR A 34 1.837 -5.820 10.230 1.00 0.71 H new ATOM 0 HB3 TYR A 34 2.899 -5.056 9.064 1.00 0.71 H new ATOM 0 HD1 TYR A 34 -0.053 -4.439 11.267 1.00 1.73 H new ATOM 0 HD2 TYR A 34 3.126 -2.669 8.963 1.00 2.32 H new ATOM 0 HE1 TYR A 34 -0.706 -2.190 12.092 1.00 1.74 H new ATOM 0 HE2 TYR A 34 2.493 -0.425 9.817 1.00 2.40 H new ATOM 0 HH TYR A 34 1.237 0.705 11.290 1.00 1.14 H new ATOM 525 N CYS A 35 0.178 -3.325 7.384 1.00 0.66 N ATOM 526 CA CYS A 35 0.056 -2.246 6.419 1.00 0.56 C ATOM 527 C CYS A 35 -0.218 -0.958 7.185 1.00 0.57 C ATOM 528 O CYS A 35 -0.878 -1.013 8.223 1.00 0.90 O ATOM 529 CB CYS A 35 -1.094 -2.552 5.458 1.00 0.82 C ATOM 530 SG CYS A 35 -1.208 -1.251 4.221 1.00 1.85 S ATOM 0 H CYS A 35 -0.336 -3.152 8.248 1.00 0.66 H new ATOM 0 HA CYS A 35 0.972 -2.141 5.837 1.00 0.56 H new ATOM 0 HB2 CYS A 35 -0.930 -3.515 4.974 1.00 0.82 H new ATOM 0 HB3 CYS A 35 -2.032 -2.627 6.009 1.00 0.82 H new ATOM 0 HG CYS A 35 -2.391 -1.267 3.682 1.00 1.85 H new ATOM 536 N SER A 36 0.288 0.176 6.702 1.00 0.45 N ATOM 537 CA SER A 36 -0.081 1.490 7.202 1.00 0.59 C ATOM 538 C SER A 36 0.050 2.493 6.061 1.00 0.56 C ATOM 539 O SER A 36 1.097 2.497 5.407 1.00 0.73 O ATOM 540 CB SER A 36 0.837 1.891 8.361 1.00 0.82 C ATOM 541 OG SER A 36 2.192 1.836 7.952 1.00 2.15 O ATOM 0 H SER A 36 0.972 0.203 5.946 1.00 0.45 H new ATOM 0 HA SER A 36 -1.107 1.473 7.569 1.00 0.59 H new ATOM 0 HB2 SER A 36 0.592 2.898 8.697 1.00 0.82 H new ATOM 0 HB3 SER A 36 0.678 1.224 9.208 1.00 0.82 H new ATOM 0 HG SER A 36 2.528 0.921 8.054 1.00 2.15 H new ATOM 547 N VAL A 37 -0.953 3.349 5.845 1.00 0.48 N ATOM 548 CA VAL A 37 -0.861 4.469 4.920 1.00 0.47 C ATOM 549 C VAL A 37 -0.840 5.808 5.664 1.00 0.52 C ATOM 550 O VAL A 37 -1.753 6.117 6.424 1.00 0.91 O ATOM 551 CB VAL A 37 -1.994 4.429 3.890 1.00 0.66 C ATOM 552 CG1 VAL A 37 -1.559 3.679 2.633 1.00 1.97 C ATOM 553 CG2 VAL A 37 -3.276 3.797 4.416 1.00 1.67 C ATOM 0 H VAL A 37 -1.856 3.279 6.314 1.00 0.48 H new ATOM 0 HA VAL A 37 0.083 4.375 4.383 1.00 0.47 H new ATOM 0 HB VAL A 37 -2.211 5.472 3.659 1.00 0.66 H new ATOM 0 HG11 VAL A 37 -2.380 3.664 1.916 1.00 1.97 H new ATOM 0 HG12 VAL A 37 -0.699 4.181 2.189 1.00 1.97 H new ATOM 0 HG13 VAL A 37 -1.287 2.657 2.895 1.00 1.97 H new ATOM 0 HG21 VAL A 37 -4.033 3.804 3.632 1.00 1.67 H new ATOM 0 HG22 VAL A 37 -3.077 2.769 4.720 1.00 1.67 H new ATOM 0 HG23 VAL A 37 -3.637 4.365 5.273 1.00 1.67 H new ATOM 563 N ALA A 38 0.184 6.631 5.408 1.00 0.74 N ATOM 564 CA ALA A 38 0.254 7.998 5.905 1.00 0.94 C ATOM 565 C ALA A 38 -0.204 8.977 4.832 1.00 0.67 C ATOM 566 O ALA A 38 0.284 8.960 3.702 1.00 0.58 O ATOM 567 CB ALA A 38 1.648 8.338 6.397 1.00 1.28 C ATOM 0 H ALA A 38 0.990 6.359 4.845 1.00 0.74 H new ATOM 0 HA ALA A 38 -0.420 8.083 6.758 1.00 0.94 H new ATOM 0 HB1 ALA A 38 1.665 9.365 6.761 1.00 1.28 H new ATOM 0 HB2 ALA A 38 1.923 7.662 7.206 1.00 1.28 H new ATOM 0 HB3 ALA A 38 2.359 8.232 5.578 1.00 1.28 H new ATOM 573 N LEU A 39 -1.146 9.836 5.221 1.00 0.74 N ATOM 574 CA LEU A 39 -1.940 10.640 4.305 1.00 0.75 C ATOM 575 C LEU A 39 -1.115 11.768 3.695 1.00 0.90 C ATOM 576 O LEU A 39 -1.030 11.875 2.477 1.00 1.27 O ATOM 577 CB LEU A 39 -3.257 11.093 4.959 1.00 1.10 C ATOM 578 CG LEU A 39 -3.124 12.027 6.177 1.00 1.17 C ATOM 579 CD1 LEU A 39 -3.319 13.498 5.781 1.00 1.41 C ATOM 580 CD2 LEU A 39 -4.189 11.667 7.220 1.00 2.01 C ATOM 0 H LEU A 39 -1.380 9.992 6.202 1.00 0.74 H new ATOM 0 HA LEU A 39 -2.238 10.019 3.460 1.00 0.75 H new ATOM 0 HB2 LEU A 39 -3.859 11.598 4.204 1.00 1.10 H new ATOM 0 HB3 LEU A 39 -3.810 10.206 5.266 1.00 1.10 H new ATOM 0 HG LEU A 39 -2.121 11.898 6.584 1.00 1.17 H new ATOM 0 HD11 LEU A 39 -3.219 14.129 6.664 1.00 1.41 H new ATOM 0 HD12 LEU A 39 -2.565 13.780 5.046 1.00 1.41 H new ATOM 0 HD13 LEU A 39 -4.312 13.631 5.351 1.00 1.41 H new ATOM 0 HD21 LEU A 39 -4.093 12.329 8.081 1.00 2.01 H new ATOM 0 HD22 LEU A 39 -5.181 11.782 6.782 1.00 2.01 H new ATOM 0 HD23 LEU A 39 -4.051 10.634 7.539 1.00 2.01 H new ATOM 592 N ALA A 40 -0.448 12.578 4.522 1.00 1.03 N ATOM 593 CA ALA A 40 0.242 13.770 4.048 1.00 1.61 C ATOM 594 C ALA A 40 1.360 13.371 3.091 1.00 1.77 C ATOM 595 O ALA A 40 1.493 13.911 1.994 1.00 2.29 O ATOM 596 CB ALA A 40 0.789 14.559 5.242 1.00 1.97 C ATOM 0 H ALA A 40 -0.374 12.424 5.528 1.00 1.03 H new ATOM 0 HA ALA A 40 -0.456 14.410 3.508 1.00 1.61 H new ATOM 0 HB1 ALA A 40 1.305 15.450 4.884 1.00 1.97 H new ATOM 0 HB2 ALA A 40 -0.035 14.853 5.892 1.00 1.97 H new ATOM 0 HB3 ALA A 40 1.487 13.936 5.801 1.00 1.97 H new ATOM 602 N THR A 41 2.138 12.369 3.497 1.00 1.43 N ATOM 603 CA THR A 41 3.226 11.862 2.674 1.00 1.53 C ATOM 604 C THR A 41 2.680 10.965 1.548 1.00 1.29 C ATOM 605 O THR A 41 3.420 10.567 0.652 1.00 1.47 O ATOM 606 CB THR A 41 4.276 11.220 3.596 1.00 1.64 C ATOM 607 OG1 THR A 41 5.392 10.737 2.879 1.00 3.01 O ATOM 608 CG2 THR A 41 3.692 10.101 4.453 1.00 1.77 C ATOM 0 H THR A 41 2.032 11.894 4.393 1.00 1.43 H new ATOM 0 HA THR A 41 3.741 12.662 2.142 1.00 1.53 H new ATOM 0 HB THR A 41 4.610 12.019 4.258 1.00 1.64 H new ATOM 0 HG1 THR A 41 5.160 10.652 1.931 1.00 3.01 H new ATOM 0 HG21 THR A 41 4.474 9.681 5.086 1.00 1.77 H new ATOM 0 HG22 THR A 41 2.894 10.501 5.079 1.00 1.77 H new ATOM 0 HG23 THR A 41 3.290 9.320 3.807 1.00 1.77 H new ATOM 616 N ASN A 42 1.369 10.678 1.560 1.00 1.08 N ATOM 617 CA ASN A 42 0.675 9.873 0.562 1.00 1.13 C ATOM 618 C ASN A 42 1.326 8.495 0.452 1.00 0.98 C ATOM 619 O ASN A 42 1.337 7.903 -0.619 1.00 1.35 O ATOM 620 CB ASN A 42 0.624 10.588 -0.799 1.00 1.55 C ATOM 621 CG ASN A 42 -0.329 11.777 -0.840 1.00 1.82 C ATOM 622 OD1 ASN A 42 -1.385 11.715 -1.472 1.00 3.03 O ATOM 623 ND2 ASN A 42 0.050 12.892 -0.228 1.00 2.16 N ATOM 0 H ASN A 42 0.747 11.016 2.295 1.00 1.08 H new ATOM 0 HA ASN A 42 -0.357 9.736 0.885 1.00 1.13 H new ATOM 0 HB2 ASN A 42 1.627 10.930 -1.056 1.00 1.55 H new ATOM 0 HB3 ASN A 42 0.326 9.871 -1.564 1.00 1.55 H new ATOM 0 HD21 ASN A 42 -0.538 13.724 -0.274 1.00 2.16 H new ATOM 0 HD22 ASN A 42 0.929 12.917 0.289 1.00 2.16 H new ATOM 630 N LYS A 43 1.879 7.976 1.548 1.00 0.63 N ATOM 631 CA LYS A 43 2.793 6.843 1.510 1.00 0.61 C ATOM 632 C LYS A 43 2.114 5.613 2.076 1.00 0.64 C ATOM 633 O LYS A 43 1.663 5.642 3.218 1.00 0.91 O ATOM 634 CB LYS A 43 4.053 7.182 2.303 1.00 0.73 C ATOM 635 CG LYS A 43 5.059 6.026 2.369 1.00 1.08 C ATOM 636 CD LYS A 43 6.381 6.555 2.940 1.00 1.11 C ATOM 637 CE LYS A 43 7.303 7.086 1.829 1.00 1.33 C ATOM 638 NZ LYS A 43 8.071 5.981 1.226 1.00 2.25 N ATOM 0 H LYS A 43 1.703 8.333 2.487 1.00 0.63 H new ATOM 0 HA LYS A 43 3.074 6.632 0.478 1.00 0.61 H new ATOM 0 HB2 LYS A 43 4.536 8.049 1.852 1.00 0.73 H new ATOM 0 HB3 LYS A 43 3.770 7.466 3.317 1.00 0.73 H new ATOM 0 HG2 LYS A 43 4.671 5.223 2.996 1.00 1.08 H new ATOM 0 HG3 LYS A 43 5.218 5.606 1.376 1.00 1.08 H new ATOM 0 HD2 LYS A 43 6.177 7.351 3.656 1.00 1.11 H new ATOM 0 HD3 LYS A 43 6.888 5.759 3.485 1.00 1.11 H new ATOM 0 HE2 LYS A 43 6.710 7.585 1.063 1.00 1.33 H new ATOM 0 HE3 LYS A 43 7.986 7.830 2.239 1.00 1.33 H new ATOM 0 HZ1 LYS A 43 8.980 6.342 0.873 1.00 2.25 H new ATOM 0 HZ2 LYS A 43 8.245 5.248 1.943 1.00 2.25 H new ATOM 0 HZ3 LYS A 43 7.531 5.573 0.437 1.00 2.25 H new ATOM 652 N ALA A 44 2.105 4.533 1.297 1.00 0.57 N ATOM 653 CA ALA A 44 1.740 3.201 1.744 1.00 0.64 C ATOM 654 C ALA A 44 3.007 2.450 2.109 1.00 0.53 C ATOM 655 O ALA A 44 3.897 2.296 1.270 1.00 0.61 O ATOM 656 CB ALA A 44 0.963 2.471 0.645 1.00 0.88 C ATOM 0 H ALA A 44 2.360 4.567 0.310 1.00 0.57 H new ATOM 0 HA ALA A 44 1.094 3.261 2.620 1.00 0.64 H new ATOM 0 HB1 ALA A 44 0.694 1.473 0.991 1.00 0.88 H new ATOM 0 HB2 ALA A 44 0.057 3.029 0.408 1.00 0.88 H new ATOM 0 HB3 ALA A 44 1.584 2.391 -0.247 1.00 0.88 H new ATOM 662 N HIS A 45 3.067 1.996 3.361 1.00 0.50 N ATOM 663 CA HIS A 45 4.042 1.075 3.880 1.00 0.54 C ATOM 664 C HIS A 45 3.267 -0.230 4.014 1.00 0.51 C ATOM 665 O HIS A 45 2.331 -0.308 4.808 1.00 0.62 O ATOM 666 CB HIS A 45 4.545 1.637 5.222 1.00 0.88 C ATOM 667 CG HIS A 45 4.919 0.628 6.277 1.00 0.66 C ATOM 668 ND1 HIS A 45 4.665 0.753 7.624 1.00 1.07 N ATOM 669 CD2 HIS A 45 5.450 -0.615 6.073 1.00 1.20 C ATOM 670 CE1 HIS A 45 5.079 -0.374 8.223 1.00 1.25 C ATOM 671 NE2 HIS A 45 5.562 -1.238 7.318 1.00 1.42 N ATOM 0 H HIS A 45 2.392 2.286 4.069 1.00 0.50 H new ATOM 0 HA HIS A 45 4.928 0.922 3.263 1.00 0.54 H new ATOM 0 HB2 HIS A 45 5.416 2.263 5.025 1.00 0.88 H new ATOM 0 HB3 HIS A 45 3.771 2.287 5.631 1.00 0.88 H new ATOM 0 HD1 HIS A 45 4.239 1.557 8.084 1.00 1.07 H new ATOM 0 HD2 HIS A 45 5.732 -1.039 5.121 1.00 1.20 H new ATOM 0 HE1 HIS A 45 5.030 -0.560 9.286 1.00 1.25 H new ATOM 679 N ILE A 46 3.646 -1.236 3.224 1.00 0.45 N ATOM 680 CA ILE A 46 3.116 -2.580 3.318 1.00 0.40 C ATOM 681 C ILE A 46 4.256 -3.458 3.829 1.00 0.45 C ATOM 682 O ILE A 46 5.369 -3.377 3.313 1.00 0.58 O ATOM 683 CB ILE A 46 2.596 -3.068 1.955 1.00 0.46 C ATOM 684 CG1 ILE A 46 1.583 -2.107 1.315 1.00 0.56 C ATOM 685 CG2 ILE A 46 1.868 -4.404 2.139 1.00 0.64 C ATOM 686 CD1 ILE A 46 2.238 -1.033 0.450 1.00 0.97 C ATOM 0 H ILE A 46 4.345 -1.128 2.489 1.00 0.45 H new ATOM 0 HA ILE A 46 2.264 -2.620 3.996 1.00 0.40 H new ATOM 0 HB ILE A 46 3.470 -3.146 1.308 1.00 0.46 H new ATOM 0 HG12 ILE A 46 0.884 -2.679 0.705 1.00 0.56 H new ATOM 0 HG13 ILE A 46 1.001 -1.626 2.101 1.00 0.56 H new ATOM 0 HG21 ILE A 46 1.498 -4.753 1.175 1.00 0.64 H new ATOM 0 HG22 ILE A 46 2.558 -5.141 2.551 1.00 0.64 H new ATOM 0 HG23 ILE A 46 1.029 -4.270 2.822 1.00 0.64 H new ATOM 0 HD11 ILE A 46 1.469 -0.387 0.027 1.00 0.97 H new ATOM 0 HD12 ILE A 46 2.916 -0.437 1.061 1.00 0.97 H new ATOM 0 HD13 ILE A 46 2.797 -1.507 -0.357 1.00 0.97 H new ATOM 698 N LYS A 47 3.967 -4.286 4.830 1.00 0.43 N ATOM 699 CA LYS A 47 4.824 -5.350 5.321 1.00 0.50 C ATOM 700 C LYS A 47 4.282 -6.645 4.734 1.00 0.51 C ATOM 701 O LYS A 47 3.291 -7.160 5.252 1.00 0.73 O ATOM 702 CB LYS A 47 4.721 -5.376 6.848 1.00 0.59 C ATOM 703 CG LYS A 47 5.671 -4.363 7.488 1.00 0.70 C ATOM 704 CD LYS A 47 6.939 -5.121 7.892 1.00 1.43 C ATOM 705 CE LYS A 47 7.957 -4.285 8.675 1.00 1.78 C ATOM 706 NZ LYS A 47 9.195 -5.064 8.889 1.00 3.19 N ATOM 0 H LYS A 47 3.087 -4.226 5.341 1.00 0.43 H new ATOM 0 HA LYS A 47 5.868 -5.211 5.039 1.00 0.50 H new ATOM 0 HB2 LYS A 47 3.697 -5.157 7.149 1.00 0.59 H new ATOM 0 HB3 LYS A 47 4.954 -6.376 7.213 1.00 0.59 H new ATOM 0 HG2 LYS A 47 5.908 -3.563 6.787 1.00 0.70 H new ATOM 0 HG3 LYS A 47 5.208 -3.898 8.358 1.00 0.70 H new ATOM 0 HD2 LYS A 47 6.655 -5.983 8.495 1.00 1.43 H new ATOM 0 HD3 LYS A 47 7.419 -5.506 6.992 1.00 1.43 H new ATOM 0 HE2 LYS A 47 8.184 -3.369 8.129 1.00 1.78 H new ATOM 0 HE3 LYS A 47 7.534 -3.988 9.635 1.00 1.78 H new ATOM 0 HZ1 LYS A 47 9.860 -4.508 9.464 1.00 3.19 H new ATOM 0 HZ2 LYS A 47 8.967 -5.950 9.383 1.00 3.19 H new ATOM 0 HZ3 LYS A 47 9.631 -5.282 7.970 1.00 3.19 H new ATOM 720 N TYR A 48 4.887 -7.135 3.647 1.00 0.59 N ATOM 721 CA TYR A 48 4.408 -8.291 2.906 1.00 0.59 C ATOM 722 C TYR A 48 5.550 -9.183 2.440 1.00 0.65 C ATOM 723 O TYR A 48 6.659 -8.703 2.229 1.00 0.82 O ATOM 724 CB TYR A 48 3.585 -7.834 1.694 1.00 0.56 C ATOM 725 CG TYR A 48 4.355 -7.103 0.610 1.00 0.64 C ATOM 726 CD1 TYR A 48 4.702 -5.750 0.769 1.00 2.10 C ATOM 727 CD2 TYR A 48 4.599 -7.737 -0.618 1.00 1.74 C ATOM 728 CE1 TYR A 48 5.160 -5.002 -0.329 1.00 2.31 C ATOM 729 CE2 TYR A 48 5.062 -6.993 -1.715 1.00 1.81 C ATOM 730 CZ TYR A 48 5.309 -5.620 -1.579 1.00 1.31 C ATOM 731 OH TYR A 48 5.634 -4.882 -2.676 1.00 1.88 O ATOM 0 H TYR A 48 5.737 -6.728 3.256 1.00 0.59 H new ATOM 0 HA TYR A 48 3.782 -8.875 3.581 1.00 0.59 H new ATOM 0 HB2 TYR A 48 3.111 -8.709 1.249 1.00 0.56 H new ATOM 0 HB3 TYR A 48 2.785 -7.183 2.047 1.00 0.56 H new ATOM 0 HD1 TYR A 48 4.616 -5.283 1.739 1.00 2.10 H new ATOM 0 HD2 TYR A 48 4.430 -8.799 -0.719 1.00 1.74 H new ATOM 0 HE1 TYR A 48 5.396 -3.955 -0.211 1.00 2.31 H new ATOM 0 HE2 TYR A 48 5.228 -7.479 -2.665 1.00 1.81 H new ATOM 0 HH TYR A 48 5.698 -5.469 -3.458 1.00 1.88 H new ATOM 741 N ASP A 49 5.265 -10.467 2.218 1.00 0.67 N ATOM 742 CA ASP A 49 6.174 -11.358 1.501 1.00 0.74 C ATOM 743 C ASP A 49 5.996 -11.122 -0.009 1.00 0.68 C ATOM 744 O ASP A 49 4.941 -11.460 -0.551 1.00 0.71 O ATOM 745 CB ASP A 49 5.886 -12.823 1.848 1.00 0.93 C ATOM 746 CG ASP A 49 6.237 -13.165 3.288 1.00 1.90 C ATOM 747 OD1 ASP A 49 7.439 -13.405 3.544 1.00 3.09 O ATOM 748 OD2 ASP A 49 5.293 -13.201 4.103 1.00 2.86 O ATOM 0 H ASP A 49 4.403 -10.915 2.528 1.00 0.67 H new ATOM 0 HA ASP A 49 7.202 -11.144 1.794 1.00 0.74 H new ATOM 0 HB2 ASP A 49 4.830 -13.032 1.676 1.00 0.93 H new ATOM 0 HB3 ASP A 49 6.452 -13.469 1.177 1.00 0.93 H new ATOM 753 N PRO A 50 6.978 -10.544 -0.724 1.00 0.76 N ATOM 754 CA PRO A 50 6.830 -10.186 -2.131 1.00 0.86 C ATOM 755 C PRO A 50 6.742 -11.408 -3.045 1.00 1.00 C ATOM 756 O PRO A 50 6.225 -11.306 -4.158 1.00 1.31 O ATOM 757 CB PRO A 50 8.041 -9.312 -2.465 1.00 1.02 C ATOM 758 CG PRO A 50 9.106 -9.825 -1.496 1.00 1.09 C ATOM 759 CD PRO A 50 8.289 -10.143 -0.245 1.00 0.93 C ATOM 0 HA PRO A 50 5.893 -9.655 -2.297 1.00 0.86 H new ATOM 0 HB2 PRO A 50 8.350 -9.428 -3.504 1.00 1.02 H new ATOM 0 HB3 PRO A 50 7.831 -8.254 -2.312 1.00 1.02 H new ATOM 0 HG2 PRO A 50 9.616 -10.707 -1.883 1.00 1.09 H new ATOM 0 HG3 PRO A 50 9.872 -9.075 -1.301 1.00 1.09 H new ATOM 0 HD2 PRO A 50 8.755 -10.940 0.335 1.00 0.93 H new ATOM 0 HD3 PRO A 50 8.218 -9.273 0.408 1.00 0.93 H new ATOM 767 N GLU A 51 7.241 -12.552 -2.575 1.00 1.01 N ATOM 768 CA GLU A 51 7.187 -13.831 -3.260 1.00 1.10 C ATOM 769 C GLU A 51 5.767 -14.073 -3.799 1.00 1.44 C ATOM 770 O GLU A 51 5.561 -14.303 -4.995 1.00 2.16 O ATOM 771 CB GLU A 51 7.611 -14.925 -2.258 1.00 1.31 C ATOM 772 CG GLU A 51 9.023 -14.734 -1.659 1.00 1.85 C ATOM 773 CD GLU A 51 9.285 -15.697 -0.498 1.00 2.44 C ATOM 774 OE1 GLU A 51 9.305 -16.912 -0.783 1.00 2.94 O ATOM 775 OE2 GLU A 51 9.449 -15.215 0.651 1.00 3.49 O ATOM 0 H GLU A 51 7.711 -12.608 -1.671 1.00 1.01 H new ATOM 0 HA GLU A 51 7.864 -13.847 -4.114 1.00 1.10 H new ATOM 0 HB2 GLU A 51 6.886 -14.955 -1.444 1.00 1.31 H new ATOM 0 HB3 GLU A 51 7.570 -15.893 -2.758 1.00 1.31 H new ATOM 0 HG2 GLU A 51 9.771 -14.890 -2.436 1.00 1.85 H new ATOM 0 HG3 GLU A 51 9.134 -13.707 -1.311 1.00 1.85 H new ATOM 782 N ILE A 52 4.787 -13.991 -2.895 1.00 1.12 N ATOM 783 CA ILE A 52 3.420 -14.453 -3.102 1.00 1.27 C ATOM 784 C ILE A 52 2.518 -13.362 -3.676 1.00 1.34 C ATOM 785 O ILE A 52 2.143 -13.430 -4.846 1.00 1.73 O ATOM 786 CB ILE A 52 2.866 -15.127 -1.827 1.00 1.17 C ATOM 787 CG1 ILE A 52 3.377 -14.474 -0.526 1.00 0.77 C ATOM 788 CG2 ILE A 52 3.247 -16.616 -1.861 1.00 1.55 C ATOM 789 CD1 ILE A 52 2.689 -15.047 0.716 1.00 0.81 C ATOM 0 H ILE A 52 4.933 -13.587 -1.970 1.00 1.12 H new ATOM 0 HA ILE A 52 3.435 -15.226 -3.870 1.00 1.27 H new ATOM 0 HB ILE A 52 1.783 -15.001 -1.822 1.00 1.17 H new ATOM 0 HG12 ILE A 52 4.454 -14.624 -0.445 1.00 0.77 H new ATOM 0 HG13 ILE A 52 3.207 -13.398 -0.570 1.00 0.77 H new ATOM 0 HG21 ILE A 52 2.864 -17.110 -0.968 1.00 1.55 H new ATOM 0 HG22 ILE A 52 2.815 -17.082 -2.747 1.00 1.55 H new ATOM 0 HG23 ILE A 52 4.332 -16.713 -1.893 1.00 1.55 H new ATOM 0 HD11 ILE A 52 3.081 -14.557 1.607 1.00 0.81 H new ATOM 0 HD12 ILE A 52 1.615 -14.874 0.649 1.00 0.81 H new ATOM 0 HD13 ILE A 52 2.881 -16.118 0.777 1.00 0.81 H new ATOM 801 N ILE A 53 2.170 -12.346 -2.891 1.00 1.15 N ATOM 802 CA ILE A 53 1.338 -11.253 -3.385 1.00 1.24 C ATOM 803 C ILE A 53 2.125 -10.466 -4.434 1.00 1.11 C ATOM 804 O ILE A 53 1.790 -10.459 -5.620 1.00 1.17 O ATOM 805 CB ILE A 53 0.785 -10.396 -2.226 1.00 1.31 C ATOM 806 CG1 ILE A 53 -0.079 -9.261 -2.793 1.00 1.52 C ATOM 807 CG2 ILE A 53 1.833 -9.807 -1.272 1.00 1.16 C ATOM 808 CD1 ILE A 53 -0.779 -8.444 -1.707 1.00 2.02 C ATOM 0 H ILE A 53 2.450 -12.257 -1.914 1.00 1.15 H new ATOM 0 HA ILE A 53 0.449 -11.646 -3.879 1.00 1.24 H new ATOM 0 HB ILE A 53 0.202 -11.088 -1.618 1.00 1.31 H new ATOM 0 HG12 ILE A 53 0.547 -8.599 -3.391 1.00 1.52 H new ATOM 0 HG13 ILE A 53 -0.828 -9.682 -3.463 1.00 1.52 H new ATOM 0 HG21 ILE A 53 1.334 -9.224 -0.498 1.00 1.16 H new ATOM 0 HG22 ILE A 53 2.399 -10.615 -0.809 1.00 1.16 H new ATOM 0 HG23 ILE A 53 2.512 -9.162 -1.830 1.00 1.16 H new ATOM 0 HD11 ILE A 53 -1.374 -7.657 -2.170 1.00 2.02 H new ATOM 0 HD12 ILE A 53 -1.430 -9.096 -1.124 1.00 2.02 H new ATOM 0 HD13 ILE A 53 -0.033 -7.996 -1.051 1.00 2.02 H new ATOM 820 N GLY A 54 3.230 -9.867 -3.997 1.00 1.04 N ATOM 821 CA GLY A 54 4.100 -9.074 -4.838 1.00 1.00 C ATOM 822 C GLY A 54 3.578 -7.647 -5.028 1.00 0.92 C ATOM 823 O GLY A 54 2.391 -7.377 -4.852 1.00 0.92 O ATOM 0 H GLY A 54 3.545 -9.925 -3.029 1.00 1.04 H new ATOM 0 HA2 GLY A 54 5.096 -9.039 -4.397 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.199 -9.555 -5.811 1.00 1.00 H new ATOM 827 N PRO A 55 4.477 -6.727 -5.411 1.00 0.91 N ATOM 828 CA PRO A 55 4.150 -5.335 -5.699 1.00 0.97 C ATOM 829 C PRO A 55 3.043 -5.229 -6.752 1.00 0.80 C ATOM 830 O PRO A 55 2.156 -4.394 -6.627 1.00 0.85 O ATOM 831 CB PRO A 55 5.458 -4.686 -6.164 1.00 1.10 C ATOM 832 CG PRO A 55 6.353 -5.860 -6.573 1.00 0.90 C ATOM 833 CD PRO A 55 5.873 -7.015 -5.693 1.00 0.93 C ATOM 0 HA PRO A 55 3.757 -4.824 -4.820 1.00 0.97 H new ATOM 0 HB2 PRO A 55 5.288 -4.008 -7.000 1.00 1.10 H new ATOM 0 HB3 PRO A 55 5.914 -4.100 -5.366 1.00 1.10 H new ATOM 0 HG2 PRO A 55 6.245 -6.094 -7.632 1.00 0.90 H new ATOM 0 HG3 PRO A 55 7.406 -5.638 -6.401 1.00 0.90 H new ATOM 0 HD2 PRO A 55 5.982 -7.971 -6.205 1.00 0.93 H new ATOM 0 HD3 PRO A 55 6.455 -7.078 -4.774 1.00 0.93 H new ATOM 841 N ARG A 56 3.102 -6.089 -7.775 1.00 0.65 N ATOM 842 CA ARG A 56 2.115 -6.243 -8.841 1.00 0.68 C ATOM 843 C ARG A 56 0.664 -6.038 -8.369 1.00 0.60 C ATOM 844 O ARG A 56 -0.008 -5.094 -8.790 1.00 0.67 O ATOM 845 CB ARG A 56 2.346 -7.614 -9.515 1.00 0.93 C ATOM 846 CG ARG A 56 2.269 -8.818 -8.550 1.00 3.21 C ATOM 847 CD ARG A 56 3.200 -9.978 -8.932 1.00 4.24 C ATOM 848 NE ARG A 56 3.180 -11.009 -7.875 1.00 6.37 N ATOM 849 CZ ARG A 56 4.140 -11.917 -7.618 1.00 7.78 C ATOM 850 NH1 ARG A 56 5.218 -12.001 -8.402 1.00 7.53 N ATOM 851 NH2 ARG A 56 4.017 -12.735 -6.571 1.00 9.77 N ATOM 0 H ARG A 56 3.887 -6.732 -7.884 1.00 0.65 H new ATOM 0 HA ARG A 56 2.259 -5.450 -9.575 1.00 0.68 H new ATOM 0 HB2 ARG A 56 1.605 -7.747 -10.304 1.00 0.93 H new ATOM 0 HB3 ARG A 56 3.325 -7.610 -9.994 1.00 0.93 H new ATOM 0 HG2 ARG A 56 2.517 -8.482 -7.543 1.00 3.21 H new ATOM 0 HG3 ARG A 56 1.242 -9.183 -8.520 1.00 3.21 H new ATOM 0 HD2 ARG A 56 2.884 -10.412 -9.881 1.00 4.24 H new ATOM 0 HD3 ARG A 56 4.216 -9.609 -9.073 1.00 4.24 H new ATOM 0 HE ARG A 56 2.353 -11.036 -7.278 1.00 6.37 H new ATOM 0 HH11 ARG A 56 5.318 -11.375 -9.201 1.00 7.53 H new ATOM 0 HH12 ARG A 56 5.942 -12.691 -8.202 1.00 7.53 H new ATOM 0 HH21 ARG A 56 3.197 -12.671 -5.968 1.00 9.77 H new ATOM 0 HH22 ARG A 56 4.743 -13.424 -6.374 1.00 9.77 H new ATOM 865 N ASP A 57 0.185 -6.927 -7.493 1.00 0.60 N ATOM 866 CA ASP A 57 -1.187 -6.935 -7.009 1.00 0.66 C ATOM 867 C ASP A 57 -1.459 -5.615 -6.304 1.00 0.65 C ATOM 868 O ASP A 57 -2.387 -4.896 -6.656 1.00 0.69 O ATOM 869 CB ASP A 57 -1.395 -8.128 -6.061 1.00 0.81 C ATOM 870 CG ASP A 57 -2.770 -8.152 -5.389 1.00 1.87 C ATOM 871 OD1 ASP A 57 -3.591 -7.256 -5.674 1.00 3.03 O ATOM 872 OD2 ASP A 57 -2.980 -9.064 -4.559 1.00 2.49 O ATOM 0 H ASP A 57 0.756 -7.673 -7.097 1.00 0.60 H new ATOM 0 HA ASP A 57 -1.885 -7.043 -7.839 1.00 0.66 H new ATOM 0 HB2 ASP A 57 -1.259 -9.053 -6.621 1.00 0.81 H new ATOM 0 HB3 ASP A 57 -0.625 -8.106 -5.290 1.00 0.81 H new ATOM 877 N ILE A 58 -0.610 -5.281 -5.332 1.00 0.65 N ATOM 878 CA ILE A 58 -0.740 -4.068 -4.541 1.00 0.71 C ATOM 879 C ILE A 58 -0.939 -2.872 -5.469 1.00 0.72 C ATOM 880 O ILE A 58 -1.951 -2.188 -5.379 1.00 0.72 O ATOM 881 CB ILE A 58 0.464 -3.921 -3.592 1.00 0.87 C ATOM 882 CG1 ILE A 58 0.515 -5.135 -2.643 1.00 0.90 C ATOM 883 CG2 ILE A 58 0.369 -2.610 -2.797 1.00 0.88 C ATOM 884 CD1 ILE A 58 1.790 -5.188 -1.804 1.00 1.23 C ATOM 0 H ILE A 58 0.193 -5.854 -5.073 1.00 0.65 H new ATOM 0 HA ILE A 58 -1.622 -4.121 -3.903 1.00 0.71 H new ATOM 0 HB ILE A 58 1.383 -3.888 -4.178 1.00 0.87 H new ATOM 0 HG12 ILE A 58 -0.349 -5.106 -1.979 1.00 0.90 H new ATOM 0 HG13 ILE A 58 0.435 -6.050 -3.229 1.00 0.90 H new ATOM 0 HG21 ILE A 58 1.229 -2.525 -2.132 1.00 0.88 H new ATOM 0 HG22 ILE A 58 0.358 -1.766 -3.487 1.00 0.88 H new ATOM 0 HG23 ILE A 58 -0.548 -2.608 -2.207 1.00 0.88 H new ATOM 0 HD11 ILE A 58 1.764 -6.065 -1.158 1.00 1.23 H new ATOM 0 HD12 ILE A 58 2.657 -5.248 -2.462 1.00 1.23 H new ATOM 0 HD13 ILE A 58 1.861 -4.289 -1.192 1.00 1.23 H new ATOM 896 N ILE A 59 -0.011 -2.630 -6.388 1.00 0.78 N ATOM 897 CA ILE A 59 -0.107 -1.515 -7.314 1.00 0.88 C ATOM 898 C ILE A 59 -1.436 -1.554 -8.079 1.00 0.81 C ATOM 899 O ILE A 59 -2.173 -0.568 -8.071 1.00 0.86 O ATOM 900 CB ILE A 59 1.153 -1.487 -8.204 1.00 0.98 C ATOM 901 CG1 ILE A 59 2.357 -1.006 -7.376 1.00 1.17 C ATOM 902 CG2 ILE A 59 0.966 -0.613 -9.451 1.00 1.34 C ATOM 903 CD1 ILE A 59 3.701 -1.275 -8.062 1.00 1.51 C ATOM 0 H ILE A 59 0.825 -3.201 -6.509 1.00 0.78 H new ATOM 0 HA ILE A 59 -0.127 -0.566 -6.778 1.00 0.88 H new ATOM 0 HB ILE A 59 1.336 -2.501 -8.559 1.00 0.98 H new ATOM 0 HG12 ILE A 59 2.258 0.063 -7.189 1.00 1.17 H new ATOM 0 HG13 ILE A 59 2.345 -1.502 -6.405 1.00 1.17 H new ATOM 0 HG21 ILE A 59 1.880 -0.626 -10.045 1.00 1.34 H new ATOM 0 HG22 ILE A 59 0.141 -1.002 -10.047 1.00 1.34 H new ATOM 0 HG23 ILE A 59 0.744 0.410 -9.148 1.00 1.34 H new ATOM 0 HD11 ILE A 59 4.511 -0.913 -7.429 1.00 1.51 H new ATOM 0 HD12 ILE A 59 3.818 -2.346 -8.225 1.00 1.51 H new ATOM 0 HD13 ILE A 59 3.730 -0.757 -9.021 1.00 1.51 H new ATOM 915 N HIS A 60 -1.768 -2.681 -8.714 1.00 0.73 N ATOM 916 CA HIS A 60 -2.982 -2.782 -9.521 1.00 0.75 C ATOM 917 C HIS A 60 -4.221 -2.483 -8.669 1.00 0.70 C ATOM 918 O HIS A 60 -5.129 -1.752 -9.068 1.00 0.71 O ATOM 919 CB HIS A 60 -3.093 -4.186 -10.134 1.00 0.78 C ATOM 920 CG HIS A 60 -2.115 -4.513 -11.241 1.00 1.17 C ATOM 921 ND1 HIS A 60 -2.317 -5.473 -12.207 1.00 2.78 N ATOM 922 CD2 HIS A 60 -0.879 -3.963 -11.464 1.00 1.51 C ATOM 923 CE1 HIS A 60 -1.226 -5.496 -12.993 1.00 2.86 C ATOM 924 NE2 HIS A 60 -0.320 -4.597 -12.579 1.00 1.95 N ATOM 0 H HIS A 60 -1.212 -3.535 -8.684 1.00 0.73 H new ATOM 0 HA HIS A 60 -2.926 -2.046 -10.323 1.00 0.75 H new ATOM 0 HB2 HIS A 60 -2.965 -4.918 -9.337 1.00 0.78 H new ATOM 0 HB3 HIS A 60 -4.104 -4.311 -10.522 1.00 0.78 H new ATOM 0 HD2 HIS A 60 -0.418 -3.179 -10.882 1.00 1.51 H new ATOM 0 HE1 HIS A 60 -1.097 -6.150 -13.843 1.00 2.86 H new ATOM 0 HE2 HIS A 60 0.593 -4.413 -12.994 1.00 1.95 H new ATOM 932 N THR A 61 -4.260 -3.065 -7.475 1.00 0.69 N ATOM 933 CA THR A 61 -5.405 -2.984 -6.595 1.00 0.70 C ATOM 934 C THR A 61 -5.532 -1.554 -6.077 1.00 0.60 C ATOM 935 O THR A 61 -6.603 -0.962 -6.164 1.00 0.61 O ATOM 936 CB THR A 61 -5.292 -4.050 -5.492 1.00 0.81 C ATOM 937 OG1 THR A 61 -5.368 -5.330 -6.097 1.00 1.03 O ATOM 938 CG2 THR A 61 -6.461 -3.938 -4.506 1.00 0.82 C ATOM 0 H THR A 61 -3.487 -3.610 -7.093 1.00 0.69 H new ATOM 0 HA THR A 61 -6.331 -3.206 -7.126 1.00 0.70 H new ATOM 0 HB THR A 61 -4.351 -3.905 -4.962 1.00 0.81 H new ATOM 0 HG1 THR A 61 -4.513 -5.795 -5.987 1.00 1.03 H new ATOM 0 HG21 THR A 61 -6.361 -4.701 -3.735 1.00 0.82 H new ATOM 0 HG22 THR A 61 -6.453 -2.951 -4.043 1.00 0.82 H new ATOM 0 HG23 THR A 61 -7.401 -4.082 -5.039 1.00 0.82 H new ATOM 946 N ILE A 62 -4.450 -0.980 -5.549 1.00 0.57 N ATOM 947 CA ILE A 62 -4.489 0.356 -4.977 1.00 0.57 C ATOM 948 C ILE A 62 -4.780 1.405 -6.056 1.00 0.53 C ATOM 949 O ILE A 62 -5.495 2.367 -5.771 1.00 0.52 O ATOM 950 CB ILE A 62 -3.242 0.648 -4.117 1.00 0.67 C ATOM 951 CG1 ILE A 62 -3.020 -0.374 -2.976 1.00 0.78 C ATOM 952 CG2 ILE A 62 -3.391 2.046 -3.501 1.00 0.89 C ATOM 953 CD1 ILE A 62 -4.300 -0.846 -2.290 1.00 1.98 C ATOM 0 H ILE A 62 -3.534 -1.427 -5.508 1.00 0.57 H new ATOM 0 HA ILE A 62 -5.324 0.415 -4.279 1.00 0.57 H new ATOM 0 HB ILE A 62 -2.377 0.579 -4.777 1.00 0.67 H new ATOM 0 HG12 ILE A 62 -2.498 -1.242 -3.379 1.00 0.78 H new ATOM 0 HG13 ILE A 62 -2.365 0.073 -2.228 1.00 0.78 H new ATOM 0 HG21 ILE A 62 -2.517 2.269 -2.889 1.00 0.89 H new ATOM 0 HG22 ILE A 62 -3.476 2.787 -4.296 1.00 0.89 H new ATOM 0 HG23 ILE A 62 -4.286 2.076 -2.880 1.00 0.89 H new ATOM 0 HD11 ILE A 62 -4.050 -1.559 -1.505 1.00 1.98 H new ATOM 0 HD12 ILE A 62 -4.815 0.009 -1.853 1.00 1.98 H new ATOM 0 HD13 ILE A 62 -4.950 -1.325 -3.022 1.00 1.98 H new ATOM 965 N GLU A 63 -4.306 1.206 -7.294 1.00 0.60 N ATOM 966 CA GLU A 63 -4.782 1.972 -8.432 1.00 0.73 C ATOM 967 C GLU A 63 -6.311 1.882 -8.486 1.00 0.75 C ATOM 968 O GLU A 63 -7.004 2.891 -8.353 1.00 0.85 O ATOM 969 CB GLU A 63 -4.087 1.441 -9.691 1.00 0.89 C ATOM 970 CG GLU A 63 -4.230 2.355 -10.908 1.00 1.08 C ATOM 971 CD GLU A 63 -5.598 2.289 -11.581 1.00 2.79 C ATOM 972 OE1 GLU A 63 -6.225 1.211 -11.502 1.00 3.51 O ATOM 973 OE2 GLU A 63 -5.983 3.317 -12.177 1.00 4.09 O ATOM 0 H GLU A 63 -3.591 0.516 -7.523 1.00 0.60 H new ATOM 0 HA GLU A 63 -4.536 3.031 -8.349 1.00 0.73 H new ATOM 0 HB2 GLU A 63 -3.028 1.300 -9.477 1.00 0.89 H new ATOM 0 HB3 GLU A 63 -4.497 0.461 -9.935 1.00 0.89 H new ATOM 0 HG2 GLU A 63 -4.037 3.383 -10.601 1.00 1.08 H new ATOM 0 HG3 GLU A 63 -3.465 2.092 -11.638 1.00 1.08 H new ATOM 980 N SER A 64 -6.838 0.656 -8.577 1.00 0.73 N ATOM 981 CA SER A 64 -8.272 0.421 -8.663 1.00 0.79 C ATOM 982 C SER A 64 -9.051 0.980 -7.463 1.00 0.73 C ATOM 983 O SER A 64 -10.233 1.289 -7.609 1.00 0.87 O ATOM 984 CB SER A 64 -8.557 -1.069 -8.871 1.00 0.86 C ATOM 985 OG SER A 64 -9.934 -1.282 -9.135 1.00 1.33 O ATOM 0 H SER A 64 -6.278 -0.196 -8.593 1.00 0.73 H new ATOM 0 HA SER A 64 -8.632 0.973 -9.531 1.00 0.79 H new ATOM 0 HB2 SER A 64 -7.960 -1.447 -9.701 1.00 0.86 H new ATOM 0 HB3 SER A 64 -8.260 -1.629 -7.984 1.00 0.86 H new ATOM 0 HG SER A 64 -10.098 -2.239 -9.267 1.00 1.33 H new ATOM 991 N LEU A 65 -8.441 1.095 -6.276 1.00 0.62 N ATOM 992 CA LEU A 65 -9.092 1.719 -5.124 1.00 0.63 C ATOM 993 C LEU A 65 -9.279 3.231 -5.294 1.00 0.71 C ATOM 994 O LEU A 65 -9.974 3.832 -4.470 1.00 0.86 O ATOM 995 CB LEU A 65 -8.336 1.453 -3.816 1.00 0.67 C ATOM 996 CG LEU A 65 -8.213 -0.012 -3.375 1.00 0.87 C ATOM 997 CD1 LEU A 65 -7.708 -0.027 -1.932 1.00 1.76 C ATOM 998 CD2 LEU A 65 -9.519 -0.804 -3.466 1.00 1.70 C ATOM 0 H LEU A 65 -7.495 0.762 -6.091 1.00 0.62 H new ATOM 0 HA LEU A 65 -10.076 1.253 -5.069 1.00 0.63 H new ATOM 0 HB2 LEU A 65 -7.331 1.864 -3.914 1.00 0.67 H new ATOM 0 HB3 LEU A 65 -8.831 2.008 -3.019 1.00 0.67 H new ATOM 0 HG LEU A 65 -7.521 -0.502 -4.060 1.00 0.87 H new ATOM 0 HD11 LEU A 65 -7.611 -1.058 -1.591 1.00 1.76 H new ATOM 0 HD12 LEU A 65 -6.737 0.465 -1.881 1.00 1.76 H new ATOM 0 HD13 LEU A 65 -8.416 0.501 -1.293 1.00 1.76 H new ATOM 0 HD21 LEU A 65 -9.347 -1.829 -3.137 1.00 1.70 H new ATOM 0 HD22 LEU A 65 -10.271 -0.340 -2.828 1.00 1.70 H new ATOM 0 HD23 LEU A 65 -9.871 -0.809 -4.498 1.00 1.70 H new ATOM 1010 N GLY A 66 -8.677 3.843 -6.317 1.00 0.80 N ATOM 1011 CA GLY A 66 -8.841 5.249 -6.646 1.00 0.89 C ATOM 1012 C GLY A 66 -7.739 6.096 -6.018 1.00 0.78 C ATOM 1013 O GLY A 66 -8.027 7.111 -5.388 1.00 0.90 O ATOM 0 H GLY A 66 -8.046 3.355 -6.953 1.00 0.80 H new ATOM 0 HA2 GLY A 66 -8.828 5.376 -7.729 1.00 0.89 H new ATOM 0 HA3 GLY A 66 -9.813 5.596 -6.296 1.00 0.89 H new ATOM 1017 N PHE A 67 -6.482 5.689 -6.216 1.00 0.69 N ATOM 1018 CA PHE A 67 -5.294 6.439 -5.824 1.00 0.66 C ATOM 1019 C PHE A 67 -4.244 6.253 -6.911 1.00 0.80 C ATOM 1020 O PHE A 67 -4.431 5.424 -7.796 1.00 0.99 O ATOM 1021 CB PHE A 67 -4.753 5.918 -4.488 1.00 0.59 C ATOM 1022 CG PHE A 67 -5.763 5.953 -3.366 1.00 0.53 C ATOM 1023 CD1 PHE A 67 -6.144 7.188 -2.816 1.00 2.11 C ATOM 1024 CD2 PHE A 67 -6.438 4.778 -2.992 1.00 1.82 C ATOM 1025 CE1 PHE A 67 -7.191 7.247 -1.883 1.00 2.12 C ATOM 1026 CE2 PHE A 67 -7.450 4.830 -2.020 1.00 1.82 C ATOM 1027 CZ PHE A 67 -7.820 6.064 -1.458 1.00 0.55 C ATOM 0 H PHE A 67 -6.261 4.801 -6.667 1.00 0.69 H new ATOM 0 HA PHE A 67 -5.540 7.494 -5.704 1.00 0.66 H new ATOM 0 HB2 PHE A 67 -4.408 4.893 -4.622 1.00 0.59 H new ATOM 0 HB3 PHE A 67 -3.885 6.512 -4.202 1.00 0.59 H new ATOM 0 HD1 PHE A 67 -5.632 8.092 -3.111 1.00 2.11 H new ATOM 0 HD2 PHE A 67 -6.178 3.836 -3.452 1.00 1.82 H new ATOM 0 HE1 PHE A 67 -7.513 8.201 -1.492 1.00 2.12 H new ATOM 0 HE2 PHE A 67 -7.944 3.923 -1.705 1.00 1.82 H new ATOM 0 HZ PHE A 67 -8.588 6.103 -0.699 1.00 0.55 H new ATOM 1037 N GLU A 68 -3.139 6.996 -6.828 1.00 0.77 N ATOM 1038 CA GLU A 68 -2.095 6.990 -7.842 1.00 0.90 C ATOM 1039 C GLU A 68 -0.816 6.331 -7.310 1.00 0.89 C ATOM 1040 O GLU A 68 0.060 7.048 -6.822 1.00 0.89 O ATOM 1041 CB GLU A 68 -1.842 8.437 -8.278 1.00 0.98 C ATOM 1042 CG GLU A 68 -3.094 9.132 -8.835 1.00 2.41 C ATOM 1043 CD GLU A 68 -2.856 10.627 -8.957 1.00 3.35 C ATOM 1044 OE1 GLU A 68 -2.113 11.045 -9.870 1.00 3.72 O ATOM 1045 OE2 GLU A 68 -3.339 11.376 -8.084 1.00 4.48 O ATOM 0 H GLU A 68 -2.946 7.623 -6.047 1.00 0.77 H new ATOM 0 HA GLU A 68 -2.414 6.402 -8.702 1.00 0.90 H new ATOM 0 HB2 GLU A 68 -1.468 9.005 -7.427 1.00 0.98 H new ATOM 0 HB3 GLU A 68 -1.060 8.449 -9.037 1.00 0.98 H new ATOM 0 HG2 GLU A 68 -3.346 8.716 -9.811 1.00 2.41 H new ATOM 0 HG3 GLU A 68 -3.944 8.944 -8.180 1.00 2.41 H new ATOM 1052 N PRO A 69 -0.691 4.990 -7.364 1.00 0.97 N ATOM 1053 CA PRO A 69 0.475 4.281 -6.860 1.00 1.05 C ATOM 1054 C PRO A 69 1.723 4.531 -7.706 1.00 1.18 C ATOM 1055 O PRO A 69 1.717 4.333 -8.918 1.00 1.90 O ATOM 1056 CB PRO A 69 0.090 2.800 -6.828 1.00 1.16 C ATOM 1057 CG PRO A 69 -0.999 2.682 -7.883 1.00 1.19 C ATOM 1058 CD PRO A 69 -1.699 4.038 -7.812 1.00 1.04 C ATOM 0 HA PRO A 69 0.742 4.639 -5.866 1.00 1.05 H new ATOM 0 HB2 PRO A 69 0.942 2.161 -7.060 1.00 1.16 H new ATOM 0 HB3 PRO A 69 -0.273 2.503 -5.844 1.00 1.16 H new ATOM 0 HG2 PRO A 69 -0.583 2.495 -8.873 1.00 1.19 H new ATOM 0 HG3 PRO A 69 -1.684 1.863 -7.665 1.00 1.19 H new ATOM 0 HD2 PRO A 69 -2.098 4.322 -8.786 1.00 1.04 H new ATOM 0 HD3 PRO A 69 -2.540 4.007 -7.120 1.00 1.04 H new ATOM 1066 N SER A 70 2.810 4.929 -7.041 1.00 0.83 N ATOM 1067 CA SER A 70 4.131 5.109 -7.612 1.00 0.93 C ATOM 1068 C SER A 70 5.148 4.552 -6.617 1.00 0.88 C ATOM 1069 O SER A 70 5.082 4.862 -5.430 1.00 0.99 O ATOM 1070 CB SER A 70 4.355 6.599 -7.892 1.00 1.10 C ATOM 1071 OG SER A 70 4.091 7.397 -6.750 1.00 1.99 O ATOM 0 H SER A 70 2.783 5.142 -6.044 1.00 0.83 H new ATOM 0 HA SER A 70 4.240 4.578 -8.558 1.00 0.93 H new ATOM 0 HB2 SER A 70 5.384 6.757 -8.215 1.00 1.10 H new ATOM 0 HB3 SER A 70 3.711 6.915 -8.713 1.00 1.10 H new ATOM 0 HG SER A 70 3.534 6.893 -6.120 1.00 1.99 H new ATOM 1077 N LEU A 71 6.065 3.694 -7.069 1.00 0.96 N ATOM 1078 CA LEU A 71 7.107 3.165 -6.195 1.00 0.97 C ATOM 1079 C LEU A 71 8.020 4.309 -5.749 1.00 1.06 C ATOM 1080 O LEU A 71 8.298 5.206 -6.544 1.00 1.60 O ATOM 1081 CB LEU A 71 7.872 2.027 -6.889 1.00 1.13 C ATOM 1082 CG LEU A 71 8.741 2.498 -8.069 1.00 2.26 C ATOM 1083 CD1 LEU A 71 10.211 2.664 -7.658 1.00 2.96 C ATOM 1084 CD2 LEU A 71 8.660 1.494 -9.224 1.00 3.36 C ATOM 0 H LEU A 71 6.105 3.354 -8.030 1.00 0.96 H new ATOM 0 HA LEU A 71 6.659 2.730 -5.302 1.00 0.97 H new ATOM 0 HB2 LEU A 71 8.507 1.528 -6.157 1.00 1.13 H new ATOM 0 HB3 LEU A 71 7.157 1.286 -7.248 1.00 1.13 H new ATOM 0 HG LEU A 71 8.355 3.466 -8.388 1.00 2.26 H new ATOM 0 HD11 LEU A 71 10.793 2.997 -8.517 1.00 2.96 H new ATOM 0 HD12 LEU A 71 10.285 3.403 -6.860 1.00 2.96 H new ATOM 0 HD13 LEU A 71 10.600 1.709 -7.304 1.00 2.96 H new ATOM 0 HD21 LEU A 71 9.279 1.840 -10.051 1.00 3.36 H new ATOM 0 HD22 LEU A 71 9.017 0.521 -8.886 1.00 3.36 H new ATOM 0 HD23 LEU A 71 7.626 1.405 -9.557 1.00 3.36 H new ATOM 1096 N VAL A 72 8.472 4.290 -4.491 1.00 1.31 N ATOM 1097 CA VAL A 72 9.387 5.306 -3.972 1.00 1.53 C ATOM 1098 C VAL A 72 10.440 4.685 -3.058 1.00 1.58 C ATOM 1099 O VAL A 72 11.616 5.015 -3.178 1.00 2.08 O ATOM 1100 CB VAL A 72 8.622 6.442 -3.258 1.00 2.35 C ATOM 1101 CG1 VAL A 72 9.586 7.527 -2.750 1.00 3.07 C ATOM 1102 CG2 VAL A 72 7.629 7.135 -4.198 1.00 3.47 C ATOM 0 H VAL A 72 8.215 3.575 -3.810 1.00 1.31 H new ATOM 0 HA VAL A 72 9.906 5.747 -4.823 1.00 1.53 H new ATOM 0 HB VAL A 72 8.094 5.972 -2.428 1.00 2.35 H new ATOM 0 HG11 VAL A 72 9.019 8.313 -2.252 1.00 3.07 H new ATOM 0 HG12 VAL A 72 10.291 7.086 -2.045 1.00 3.07 H new ATOM 0 HG13 VAL A 72 10.132 7.952 -3.592 1.00 3.07 H new ATOM 0 HG21 VAL A 72 7.111 7.928 -3.659 1.00 3.47 H new ATOM 0 HG22 VAL A 72 8.167 7.563 -5.044 1.00 3.47 H new ATOM 0 HG23 VAL A 72 6.903 6.408 -4.560 1.00 3.47 H new ATOM 1112 N LYS A 73 10.032 3.827 -2.116 1.00 2.02 N ATOM 1113 CA LYS A 73 10.889 3.455 -0.996 1.00 2.96 C ATOM 1114 C LYS A 73 11.235 4.754 -0.240 1.00 3.29 C ATOM 1115 O LYS A 73 10.304 5.523 0.013 1.00 3.87 O ATOM 1116 CB LYS A 73 12.051 2.578 -1.504 1.00 3.38 C ATOM 1117 CG LYS A 73 12.585 1.585 -0.459 1.00 4.74 C ATOM 1118 CD LYS A 73 13.284 0.387 -1.134 1.00 5.60 C ATOM 1119 CE LYS A 73 14.396 0.775 -2.121 1.00 5.78 C ATOM 1120 NZ LYS A 73 15.488 1.513 -1.466 1.00 6.16 N ATOM 0 H LYS A 73 9.115 3.381 -2.111 1.00 2.02 H new ATOM 0 HA LYS A 73 10.413 2.811 -0.256 1.00 2.96 H new ATOM 0 HB2 LYS A 73 11.718 2.023 -2.381 1.00 3.38 H new ATOM 0 HB3 LYS A 73 12.867 3.225 -1.827 1.00 3.38 H new ATOM 0 HG2 LYS A 73 13.286 2.092 0.204 1.00 4.74 H new ATOM 0 HG3 LYS A 73 11.762 1.228 0.161 1.00 4.74 H new ATOM 0 HD2 LYS A 73 13.708 -0.253 -0.361 1.00 5.60 H new ATOM 0 HD3 LYS A 73 12.536 -0.204 -1.662 1.00 5.60 H new ATOM 0 HE2 LYS A 73 14.796 -0.125 -2.587 1.00 5.78 H new ATOM 0 HE3 LYS A 73 13.974 1.386 -2.919 1.00 5.78 H new ATOM 0 HZ1 LYS A 73 15.922 2.168 -2.147 1.00 6.16 H new ATOM 0 HZ2 LYS A 73 15.109 2.052 -0.661 1.00 6.16 H new ATOM 0 HZ3 LYS A 73 16.206 0.842 -1.126 1.00 6.16 H new ATOM 1134 N ILE A 74 12.495 5.046 0.106 1.00 3.74 N ATOM 1135 CA ILE A 74 12.869 6.347 0.669 1.00 4.58 C ATOM 1136 C ILE A 74 14.094 6.838 -0.102 1.00 4.60 C ATOM 1137 O ILE A 74 13.999 7.741 -0.929 1.00 4.85 O ATOM 1138 CB ILE A 74 13.118 6.260 2.195 1.00 6.21 C ATOM 1139 CG1 ILE A 74 11.914 5.710 2.982 1.00 7.52 C ATOM 1140 CG2 ILE A 74 13.451 7.650 2.751 1.00 7.12 C ATOM 1141 CD1 ILE A 74 12.035 4.203 3.221 1.00 8.31 C ATOM 0 H ILE A 74 13.274 4.396 0.005 1.00 3.74 H new ATOM 0 HA ILE A 74 12.055 7.063 0.557 1.00 4.58 H new ATOM 0 HB ILE A 74 13.949 5.567 2.323 1.00 6.21 H new ATOM 0 HG12 ILE A 74 11.839 6.225 3.939 1.00 7.52 H new ATOM 0 HG13 ILE A 74 10.995 5.919 2.434 1.00 7.52 H new ATOM 0 HG21 ILE A 74 13.625 7.580 3.825 1.00 7.12 H new ATOM 0 HG22 ILE A 74 14.347 8.032 2.262 1.00 7.12 H new ATOM 0 HG23 ILE A 74 12.618 8.327 2.561 1.00 7.12 H new ATOM 0 HD11 ILE A 74 11.167 3.852 3.779 1.00 8.31 H new ATOM 0 HD12 ILE A 74 12.084 3.685 2.263 1.00 8.31 H new ATOM 0 HD13 ILE A 74 12.941 3.997 3.791 1.00 8.31 H new ATOM 1153 N GLU A 75 15.220 6.176 0.149 1.00 5.26 N ATOM 1154 CA GLU A 75 16.164 5.805 -0.881 1.00 6.14 C ATOM 1155 C GLU A 75 15.698 4.393 -1.248 1.00 6.87 C ATOM 1156 O GLU A 75 16.116 3.833 -2.285 1.00 7.76 O ATOM 1157 CB GLU A 75 17.574 5.817 -0.268 1.00 7.30 C ATOM 1158 CG GLU A 75 18.693 5.593 -1.291 1.00 7.91 C ATOM 1159 CD GLU A 75 20.047 5.511 -0.599 1.00 9.36 C ATOM 1160 OE1 GLU A 75 20.306 4.448 0.006 1.00 10.20 O ATOM 1161 OE2 GLU A 75 20.788 6.514 -0.673 1.00 10.05 O ATOM 1162 OXT GLU A 75 14.913 3.821 -0.446 1.00 7.23 O ATOM 0 H GLU A 75 15.498 5.883 1.085 1.00 5.26 H new ATOM 0 HA GLU A 75 16.204 6.461 -1.751 1.00 6.14 H new ATOM 0 HB2 GLU A 75 17.736 6.773 0.230 1.00 7.30 H new ATOM 0 HB3 GLU A 75 17.634 5.044 0.498 1.00 7.30 H new ATOM 0 HG2 GLU A 75 18.506 4.674 -1.846 1.00 7.91 H new ATOM 0 HG3 GLU A 75 18.698 6.407 -2.016 1.00 7.91 H new TER 1169 GLU A 75