USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 645 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.6!) USER MOD Single : A 5 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.0066) USER MOD Single : A 6 TYR OH : rot 30:sc= 0.649 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-4!) USER MOD Single : A 16 GLN : amide:sc= -0.903 K(o=-0.9,f=-2.7!) USER MOD Single : A 17 TYR OH : rot -7:sc= -1.38 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -43:sc= -2.04 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -110:sc= -1.23! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -80:sc= 1.18 USER MOD Single : A 59 SER OG : rot -23:sc= 0.0265 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 95:sc= 1.16 USER MOD Single : A 70 HIS : no HD1:sc= 0.183 K(o=0.18,f=-2.5!) USER MOD Single : A 74 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.6) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.762 -4.124 -11.425 1.00 0.00 N ATOM 2 CA MET A 1 5.761 -3.945 -12.517 1.00 0.00 C ATOM 3 C MET A 1 6.122 -2.466 -12.633 1.00 0.00 C ATOM 4 O MET A 1 7.219 -2.053 -12.309 1.00 0.00 O ATOM 5 CB MET A 1 5.159 -4.422 -13.842 1.00 0.00 C ATOM 6 CG MET A 1 6.199 -4.295 -14.962 1.00 0.00 C ATOM 7 SD MET A 1 5.491 -4.911 -16.511 1.00 0.00 S ATOM 8 CE MET A 1 6.942 -4.634 -17.557 1.00 0.00 C ATOM 0 H1 MET A 1 4.514 -5.131 -11.343 1.00 0.00 H new ATOM 0 H2 MET A 1 5.167 -3.793 -10.526 1.00 0.00 H new ATOM 0 H3 MET A 1 3.907 -3.573 -11.643 1.00 0.00 H new ATOM 0 HA MET A 1 6.655 -4.526 -12.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.833 -5.458 -13.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.276 -3.831 -14.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.502 -3.254 -15.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.095 -4.862 -14.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.722 -4.951 -18.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.196 -3.574 -17.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.783 -5.210 -17.172 1.00 0.00 H new ATOM 20 N ASN A 2 5.205 -1.664 -13.101 1.00 0.00 N ATOM 21 CA ASN A 2 5.485 -0.208 -13.251 1.00 0.00 C ATOM 22 C ASN A 2 5.143 0.518 -11.947 1.00 0.00 C ATOM 23 O ASN A 2 3.993 0.634 -11.570 1.00 0.00 O ATOM 24 CB ASN A 2 4.635 0.344 -14.394 1.00 0.00 C ATOM 25 CG ASN A 2 4.994 1.809 -14.640 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.528 2.471 -13.772 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.722 2.347 -15.797 1.00 0.00 N ATOM 0 H ASN A 2 4.270 -1.956 -13.387 1.00 0.00 H new ATOM 0 HA ASN A 2 6.541 -0.054 -13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.803 -0.239 -15.300 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.577 0.255 -14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.958 3.324 -15.973 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.274 1.791 -16.525 1.00 0.00 H new ATOM 34 N VAL A 3 6.140 1.000 -11.251 1.00 0.00 N ATOM 35 CA VAL A 3 5.888 1.712 -9.965 1.00 0.00 C ATOM 36 C VAL A 3 5.565 3.181 -10.236 1.00 0.00 C ATOM 37 O VAL A 3 6.019 3.757 -11.207 1.00 0.00 O ATOM 38 CB VAL A 3 7.134 1.618 -9.085 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.484 0.147 -8.869 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.305 2.325 -9.773 1.00 0.00 C ATOM 0 H VAL A 3 7.121 0.930 -11.520 1.00 0.00 H new ATOM 0 HA VAL A 3 5.042 1.250 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 3 6.940 2.096 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.372 0.073 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.651 -0.357 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.679 -0.326 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.192 2.256 -9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.504 1.849 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.054 3.374 -9.933 1.00 0.00 H new ATOM 50 N ALA A 4 4.780 3.792 -9.379 1.00 0.00 N ATOM 51 CA ALA A 4 4.410 5.229 -9.565 1.00 0.00 C ATOM 52 C ALA A 4 5.029 6.063 -8.443 1.00 0.00 C ATOM 53 O ALA A 4 5.085 5.650 -7.300 1.00 0.00 O ATOM 54 CB ALA A 4 2.888 5.361 -9.522 1.00 0.00 C ATOM 0 H ALA A 4 4.377 3.351 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 4 4.782 5.586 -10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.609 6.406 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.448 4.762 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.519 5.009 -8.559 1.00 0.00 H new ATOM 60 N HIS A 5 5.506 7.233 -8.767 1.00 0.00 N ATOM 61 CA HIS A 5 6.140 8.105 -7.741 1.00 0.00 C ATOM 62 C HIS A 5 5.077 8.925 -7.012 1.00 0.00 C ATOM 63 O HIS A 5 4.022 9.209 -7.544 1.00 0.00 O ATOM 64 CB HIS A 5 7.115 9.052 -8.434 1.00 0.00 C ATOM 65 CG HIS A 5 8.241 8.257 -9.030 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.216 8.839 -9.826 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.562 6.924 -8.958 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.069 7.865 -10.196 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.716 6.679 -9.695 1.00 0.00 N ATOM 0 H HIS A 5 5.483 7.625 -9.708 1.00 0.00 H new ATOM 0 HA HIS A 5 6.665 7.483 -7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.601 9.616 -9.212 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.505 9.777 -7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.003 6.179 -8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.934 8.024 -10.822 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.190 5.785 -9.825 1.00 0.00 H new ATOM 77 N TYR A 6 5.355 9.323 -5.798 1.00 0.00 N ATOM 78 CA TYR A 6 4.370 10.141 -5.039 1.00 0.00 C ATOM 79 C TYR A 6 5.118 11.003 -4.017 1.00 0.00 C ATOM 80 O TYR A 6 5.680 10.506 -3.063 1.00 0.00 O ATOM 81 CB TYR A 6 3.381 9.213 -4.326 1.00 0.00 C ATOM 82 CG TYR A 6 2.152 9.997 -3.936 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.306 10.489 -4.934 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.860 10.237 -2.589 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.166 11.222 -4.588 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.720 10.971 -2.241 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.128 11.463 -3.242 1.00 0.00 C ATOM 88 OH TYR A 6 -1.252 12.185 -2.901 1.00 0.00 O ATOM 0 H TYR A 6 6.222 9.116 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 6 3.818 10.789 -5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.106 8.385 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.846 8.779 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.533 10.303 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.514 9.856 -1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.487 11.602 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.494 11.158 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.946 12.049 -3.579 1.00 0.00 H new ATOM 98 N ARG A 7 5.131 12.294 -4.222 1.00 0.00 N ATOM 99 CA ARG A 7 5.848 13.206 -3.283 1.00 0.00 C ATOM 100 C ARG A 7 7.250 12.662 -2.988 1.00 0.00 C ATOM 101 O ARG A 7 7.794 12.859 -1.917 1.00 0.00 O ATOM 102 CB ARG A 7 5.058 13.350 -1.978 1.00 0.00 C ATOM 103 CG ARG A 7 3.824 14.223 -2.228 1.00 0.00 C ATOM 104 CD ARG A 7 3.049 14.395 -0.921 1.00 0.00 C ATOM 105 NE ARG A 7 1.898 15.323 -1.137 1.00 0.00 N ATOM 106 CZ ARG A 7 0.734 14.868 -1.521 1.00 0.00 C ATOM 107 NH1 ARG A 7 0.559 13.594 -1.732 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.258 15.699 -1.698 1.00 0.00 N ATOM 0 H ARG A 7 4.672 12.759 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 7 5.939 14.187 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.756 12.369 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.685 13.798 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.126 15.196 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.187 13.763 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.688 13.428 -0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.706 14.790 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 7 2.022 16.324 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.333 12.944 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.352 13.247 -2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.122 16.697 -1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.168 15.350 -1.998 1.00 0.00 H new ATOM 122 N GLY A 8 7.847 11.994 -3.941 1.00 0.00 N ATOM 123 CA GLY A 8 9.223 11.446 -3.739 1.00 0.00 C ATOM 124 C GLY A 8 9.131 9.989 -3.290 1.00 0.00 C ATOM 125 O GLY A 8 10.071 9.231 -3.412 1.00 0.00 O ATOM 0 H GLY A 8 7.439 11.803 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.794 11.517 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.754 12.035 -2.991 1.00 0.00 H new ATOM 129 N TYR A 9 8.005 9.595 -2.765 1.00 0.00 N ATOM 130 CA TYR A 9 7.849 8.189 -2.299 1.00 0.00 C ATOM 131 C TYR A 9 7.429 7.292 -3.465 1.00 0.00 C ATOM 132 O TYR A 9 6.604 7.656 -4.281 1.00 0.00 O ATOM 133 CB TYR A 9 6.786 8.145 -1.203 1.00 0.00 C ATOM 134 CG TYR A 9 7.296 8.898 0.002 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.178 10.293 0.057 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.895 8.204 1.058 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.657 10.992 1.170 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.376 8.903 2.171 1.00 0.00 C ATOM 139 CZ TYR A 9 8.257 10.297 2.227 1.00 0.00 C ATOM 140 OH TYR A 9 8.731 10.986 3.325 1.00 0.00 O ATOM 0 H TYR A 9 7.184 10.187 -2.638 1.00 0.00 H new ATOM 0 HA TYR A 9 8.800 7.828 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.857 8.590 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.563 7.112 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.717 10.829 -0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.986 7.129 1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.564 12.067 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.839 8.367 2.987 1.00 0.00 H new ATOM 0 HH TYR A 9 9.116 10.353 3.967 1.00 0.00 H new ATOM 150 N GLU A 10 7.998 6.117 -3.550 1.00 0.00 N ATOM 151 CA GLU A 10 7.647 5.185 -4.659 1.00 0.00 C ATOM 152 C GLU A 10 6.552 4.228 -4.197 1.00 0.00 C ATOM 153 O GLU A 10 6.574 3.743 -3.083 1.00 0.00 O ATOM 154 CB GLU A 10 8.890 4.387 -5.049 1.00 0.00 C ATOM 155 CG GLU A 10 9.890 5.325 -5.723 1.00 0.00 C ATOM 156 CD GLU A 10 11.178 4.566 -6.038 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.231 3.382 -5.749 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.089 5.182 -6.565 1.00 0.00 O ATOM 0 H GLU A 10 8.694 5.763 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 10 7.288 5.753 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.337 3.931 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.620 3.575 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.462 5.730 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.106 6.171 -5.071 1.00 0.00 H new ATOM 165 N ILE A 11 5.597 3.955 -5.051 1.00 0.00 N ATOM 166 CA ILE A 11 4.482 3.031 -4.686 1.00 0.00 C ATOM 167 C ILE A 11 4.459 1.860 -5.668 1.00 0.00 C ATOM 168 O ILE A 11 4.492 2.049 -6.869 1.00 0.00 O ATOM 169 CB ILE A 11 3.155 3.790 -4.773 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.186 4.968 -3.796 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.001 2.850 -4.405 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.990 5.883 -4.063 1.00 0.00 C ATOM 0 H ILE A 11 5.543 4.338 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 11 4.627 2.657 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 11 3.009 4.158 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.157 4.604 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.116 5.525 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.057 3.391 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.983 2.008 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.142 2.482 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.011 6.722 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.040 6.258 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.065 5.322 -3.927 1.00 0.00 H new ATOM 184 N GLU A 12 4.406 0.652 -5.163 1.00 0.00 N ATOM 185 CA GLU A 12 4.379 -0.555 -6.046 1.00 0.00 C ATOM 186 C GLU A 12 3.107 -1.363 -5.739 1.00 0.00 C ATOM 187 O GLU A 12 3.119 -2.252 -4.909 1.00 0.00 O ATOM 188 CB GLU A 12 5.621 -1.407 -5.763 1.00 0.00 C ATOM 189 CG GLU A 12 6.810 -0.483 -5.500 1.00 0.00 C ATOM 190 CD GLU A 12 8.103 -1.297 -5.520 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.239 -2.133 -6.397 1.00 0.00 O ATOM 192 OE2 GLU A 12 8.935 -1.070 -4.657 1.00 0.00 O ATOM 0 H GLU A 12 4.380 0.449 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 12 4.378 -0.260 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.447 -2.051 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.831 -2.059 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.849 0.301 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.694 0.011 -4.535 1.00 0.00 H new ATOM 199 N PRO A 13 2.012 -1.052 -6.396 1.00 0.00 N ATOM 200 CA PRO A 13 0.711 -1.762 -6.182 1.00 0.00 C ATOM 201 C PRO A 13 0.817 -3.274 -6.437 1.00 0.00 C ATOM 202 O PRO A 13 1.542 -3.718 -7.305 1.00 0.00 O ATOM 203 CB PRO A 13 -0.237 -1.101 -7.204 1.00 0.00 C ATOM 204 CG PRO A 13 0.377 0.229 -7.491 1.00 0.00 C ATOM 205 CD PRO A 13 1.884 0.013 -7.404 1.00 0.00 C ATOM 0 HA PRO A 13 0.368 -1.676 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.322 -1.701 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.243 -0.993 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.089 0.589 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.046 0.977 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.304 -0.288 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.404 0.921 -7.099 1.00 0.00 H new ATOM 213 N GLY A 14 0.096 -4.064 -5.685 1.00 0.00 N ATOM 214 CA GLY A 14 0.150 -5.539 -5.882 1.00 0.00 C ATOM 215 C GLY A 14 -0.578 -6.232 -4.728 1.00 0.00 C ATOM 216 O GLY A 14 -0.034 -6.414 -3.657 1.00 0.00 O ATOM 0 H GLY A 14 -0.528 -3.749 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.312 -5.807 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.186 -5.874 -5.926 1.00 0.00 H new ATOM 220 N HIS A 15 -1.812 -6.607 -4.938 1.00 0.00 N ATOM 221 CA HIS A 15 -2.595 -7.274 -3.860 1.00 0.00 C ATOM 222 C HIS A 15 -1.792 -8.415 -3.232 1.00 0.00 C ATOM 223 O HIS A 15 -0.908 -8.981 -3.843 1.00 0.00 O ATOM 224 CB HIS A 15 -3.894 -7.829 -4.452 1.00 0.00 C ATOM 225 CG HIS A 15 -3.591 -8.970 -5.389 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.639 -8.874 -6.394 1.00 0.00 N ATOM 227 CD2 HIS A 15 -4.118 -10.234 -5.495 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.625 -10.047 -7.053 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.507 -10.912 -6.546 1.00 0.00 N ATOM 0 H HIS A 15 -2.313 -6.478 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.819 -6.542 -3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.551 -8.170 -3.652 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.425 -7.041 -4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.890 -10.641 -4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.979 -10.263 -7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.693 -11.864 -6.861 1.00 0.00 H new ATOM 237 N GLN A 16 -2.107 -8.763 -2.011 1.00 0.00 N ATOM 238 CA GLN A 16 -1.381 -9.871 -1.336 1.00 0.00 C ATOM 239 C GLN A 16 -2.284 -10.478 -0.262 1.00 0.00 C ATOM 240 O GLN A 16 -3.220 -9.847 0.209 1.00 0.00 O ATOM 241 CB GLN A 16 -0.101 -9.340 -0.693 1.00 0.00 C ATOM 242 CG GLN A 16 0.717 -10.512 -0.153 1.00 0.00 C ATOM 243 CD GLN A 16 2.086 -10.015 0.306 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.526 -8.954 -0.091 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.784 -10.742 1.134 1.00 0.00 N ATOM 0 H GLN A 16 -2.839 -8.323 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.117 -10.633 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.482 -8.781 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.345 -8.650 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.192 -10.982 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.835 -11.272 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.414 -11.632 1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.699 -10.420 1.448 1.00 0.00 H new ATOM 254 N TYR A 17 -2.020 -11.702 0.121 1.00 0.00 N ATOM 255 CA TYR A 17 -2.859 -12.367 1.160 1.00 0.00 C ATOM 256 C TYR A 17 -2.146 -12.296 2.510 1.00 0.00 C ATOM 257 O TYR A 17 -1.045 -12.788 2.668 1.00 0.00 O ATOM 258 CB TYR A 17 -3.063 -13.829 0.769 1.00 0.00 C ATOM 259 CG TYR A 17 -3.959 -14.499 1.779 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.349 -14.418 1.637 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.404 -15.202 2.854 1.00 0.00 C ATOM 262 CE1 TYR A 17 -6.184 -15.040 2.569 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.240 -15.825 3.788 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.631 -15.744 3.645 1.00 0.00 C ATOM 265 OH TYR A 17 -6.457 -16.359 4.562 1.00 0.00 O ATOM 0 H TYR A 17 -1.256 -12.270 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.824 -11.866 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.506 -13.892 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.102 -14.342 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.776 -13.875 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.331 -15.264 2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.257 -14.977 2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.813 -16.368 4.618 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.388 -16.115 4.379 1.00 0.00 H new ATOM 275 N ARG A 18 -2.771 -11.686 3.485 1.00 0.00 N ATOM 276 CA ARG A 18 -2.143 -11.573 4.835 1.00 0.00 C ATOM 277 C ARG A 18 -2.760 -12.601 5.786 1.00 0.00 C ATOM 278 O ARG A 18 -3.956 -12.823 5.787 1.00 0.00 O ATOM 279 CB ARG A 18 -2.370 -10.163 5.385 1.00 0.00 C ATOM 280 CG ARG A 18 -1.576 -9.157 4.548 1.00 0.00 C ATOM 281 CD ARG A 18 -1.815 -7.742 5.081 1.00 0.00 C ATOM 282 NE ARG A 18 -1.247 -7.631 6.454 1.00 0.00 N ATOM 283 CZ ARG A 18 -1.468 -6.565 7.177 1.00 0.00 C ATOM 284 NH1 ARG A 18 -2.209 -5.599 6.710 1.00 0.00 N ATOM 285 NH2 ARG A 18 -0.953 -6.471 8.372 1.00 0.00 N ATOM 0 H ARG A 18 -3.694 -11.259 3.403 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.073 -11.764 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.432 -9.917 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.057 -10.113 6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.513 -9.396 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.879 -9.219 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.349 -7.009 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.883 -7.523 5.098 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.682 -8.392 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.618 -5.674 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.380 -4.768 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.379 -7.229 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.125 -5.640 8.937 1.00 0.00 H new ATOM 299 N ASP A 19 -1.948 -13.230 6.591 1.00 0.00 N ATOM 300 CA ASP A 19 -2.467 -14.242 7.549 1.00 0.00 C ATOM 301 C ASP A 19 -3.120 -13.530 8.737 1.00 0.00 C ATOM 302 O ASP A 19 -3.867 -14.117 9.495 1.00 0.00 O ATOM 303 CB ASP A 19 -1.296 -15.090 8.043 1.00 0.00 C ATOM 304 CG ASP A 19 -0.779 -15.966 6.901 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.476 -16.085 5.905 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.310 -16.500 7.038 1.00 0.00 O ATOM 0 H ASP A 19 -0.939 -13.084 6.625 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.207 -14.876 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.497 -14.446 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.613 -15.714 8.879 1.00 0.00 H new ATOM 311 N ASP A 20 -2.834 -12.268 8.911 1.00 0.00 N ATOM 312 CA ASP A 20 -3.426 -11.515 10.054 1.00 0.00 C ATOM 313 C ASP A 20 -4.952 -11.538 9.950 1.00 0.00 C ATOM 314 O ASP A 20 -5.643 -11.853 10.899 1.00 0.00 O ATOM 315 CB ASP A 20 -2.937 -10.068 10.003 1.00 0.00 C ATOM 316 CG ASP A 20 -3.542 -9.279 11.165 1.00 0.00 C ATOM 317 OD1 ASP A 20 -4.369 -9.835 11.868 1.00 0.00 O ATOM 318 OD2 ASP A 20 -3.168 -8.130 11.330 1.00 0.00 O ATOM 0 H ASP A 20 -2.215 -11.725 8.310 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.122 -11.977 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.849 -10.039 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.220 -9.612 9.054 1.00 0.00 H new ATOM 323 N ILE A 21 -5.477 -11.211 8.795 1.00 0.00 N ATOM 324 CA ILE A 21 -6.958 -11.213 8.594 1.00 0.00 C ATOM 325 C ILE A 21 -7.330 -12.404 7.706 1.00 0.00 C ATOM 326 O ILE A 21 -8.483 -12.626 7.390 1.00 0.00 O ATOM 327 CB ILE A 21 -7.378 -9.892 7.932 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.639 -9.710 6.602 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.028 -8.727 8.863 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.170 -8.461 5.895 1.00 0.00 C ATOM 0 H ILE A 21 -4.936 -10.940 7.974 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.475 -11.304 9.549 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.452 -9.913 7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.568 -9.614 6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.781 -10.587 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.324 -7.787 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.557 -8.846 9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.954 -8.718 9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.646 -8.328 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.237 -8.576 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.005 -7.588 6.526 1.00 0.00 H new ATOM 342 N ARG A 22 -6.350 -13.170 7.306 1.00 0.00 N ATOM 343 CA ARG A 22 -6.614 -14.352 6.438 1.00 0.00 C ATOM 344 C ARG A 22 -7.477 -13.931 5.247 1.00 0.00 C ATOM 345 O ARG A 22 -8.309 -14.682 4.774 1.00 0.00 O ATOM 346 CB ARG A 22 -7.338 -15.431 7.251 1.00 0.00 C ATOM 347 CG ARG A 22 -6.390 -15.967 8.324 1.00 0.00 C ATOM 348 CD ARG A 22 -7.090 -17.052 9.146 1.00 0.00 C ATOM 349 NE ARG A 22 -8.210 -16.448 9.920 1.00 0.00 N ATOM 350 CZ ARG A 22 -7.968 -15.715 10.975 1.00 0.00 C ATOM 351 NH1 ARG A 22 -6.740 -15.518 11.374 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.959 -15.180 11.633 1.00 0.00 N ATOM 0 H ARG A 22 -5.369 -13.025 7.546 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.669 -14.753 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.234 -15.016 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.663 -16.240 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.493 -16.374 7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.069 -15.155 8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.470 -17.833 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.379 -17.524 9.824 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.173 -16.608 9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.964 -15.937 10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.557 -14.945 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.919 -15.334 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.774 -14.607 12.457 1.00 0.00 H new ATOM 366 N LYS A 23 -7.279 -12.733 4.752 1.00 0.00 N ATOM 367 CA LYS A 23 -8.083 -12.250 3.587 1.00 0.00 C ATOM 368 C LYS A 23 -7.196 -11.456 2.625 1.00 0.00 C ATOM 369 O LYS A 23 -6.031 -11.207 2.882 1.00 0.00 O ATOM 370 CB LYS A 23 -9.225 -11.353 4.088 1.00 0.00 C ATOM 371 CG LYS A 23 -10.357 -12.207 4.684 1.00 0.00 C ATOM 372 CD LYS A 23 -11.278 -12.723 3.569 1.00 0.00 C ATOM 373 CE LYS A 23 -12.388 -13.571 4.181 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.281 -14.056 3.094 1.00 0.00 N ATOM 0 H LYS A 23 -6.592 -12.067 5.107 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.496 -13.111 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.848 -10.661 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.610 -10.751 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.936 -13.048 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.932 -11.615 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.707 -11.885 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.706 -13.314 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.962 -14.415 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.957 -12.984 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.042 -14.636 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.695 -13.242 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.731 -14.629 2.423 1.00 0.00 H new ATOM 388 N TYR A 24 -7.754 -11.072 1.504 1.00 0.00 N ATOM 389 CA TYR A 24 -6.978 -10.307 0.492 1.00 0.00 C ATOM 390 C TYR A 24 -7.182 -8.811 0.702 1.00 0.00 C ATOM 391 O TYR A 24 -8.300 -8.327 0.812 1.00 0.00 O ATOM 392 CB TYR A 24 -7.465 -10.691 -0.903 1.00 0.00 C ATOM 393 CG TYR A 24 -6.997 -12.087 -1.219 1.00 0.00 C ATOM 394 CD1 TYR A 24 -5.746 -12.279 -1.812 1.00 0.00 C ATOM 395 CD2 TYR A 24 -7.805 -13.186 -0.909 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.301 -13.573 -2.100 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.359 -14.482 -1.195 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.107 -14.676 -1.791 1.00 0.00 C ATOM 399 OH TYR A 24 -5.666 -15.952 -2.073 1.00 0.00 O ATOM 0 H TYR A 24 -8.723 -11.260 1.249 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.919 -10.541 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.553 -10.639 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.080 -9.989 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.123 -11.429 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.771 -13.035 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.336 -13.722 -2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.981 -15.332 -0.956 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.345 -16.602 -1.795 1.00 0.00 H new ATOM 409 N VAL A 25 -6.104 -8.071 0.749 1.00 0.00 N ATOM 410 CA VAL A 25 -6.215 -6.597 0.949 1.00 0.00 C ATOM 411 C VAL A 25 -5.138 -5.898 0.114 1.00 0.00 C ATOM 412 O VAL A 25 -4.122 -6.485 -0.211 1.00 0.00 O ATOM 413 CB VAL A 25 -6.023 -6.268 2.444 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.361 -6.384 3.179 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.024 -7.244 3.066 1.00 0.00 C ATOM 0 H VAL A 25 -5.152 -8.425 0.657 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.199 -6.250 0.633 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.644 -5.250 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.218 -6.150 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.076 -5.684 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.743 -7.400 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.893 -7.007 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.400 -8.262 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.066 -7.160 2.553 1.00 0.00 H new ATOM 425 N PRO A 26 -5.355 -4.653 -0.238 1.00 0.00 N ATOM 426 CA PRO A 26 -4.377 -3.875 -1.051 1.00 0.00 C ATOM 427 C PRO A 26 -2.989 -3.850 -0.403 1.00 0.00 C ATOM 428 O PRO A 26 -2.781 -3.224 0.619 1.00 0.00 O ATOM 429 CB PRO A 26 -4.991 -2.456 -1.129 1.00 0.00 C ATOM 430 CG PRO A 26 -6.051 -2.417 -0.069 1.00 0.00 C ATOM 431 CD PRO A 26 -6.542 -3.850 0.093 1.00 0.00 C ATOM 0 HA PRO A 26 -4.220 -4.316 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.234 -1.691 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.415 -2.266 -2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.649 -2.035 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.868 -1.756 -0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.889 -4.044 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.375 -4.068 -0.576 1.00 0.00 H new ATOM 439 N TYR A 27 -2.040 -4.526 -1.000 1.00 0.00 N ATOM 440 CA TYR A 27 -0.655 -4.558 -0.446 1.00 0.00 C ATOM 441 C TYR A 27 0.288 -3.866 -1.423 1.00 0.00 C ATOM 442 O TYR A 27 0.457 -4.302 -2.545 1.00 0.00 O ATOM 443 CB TYR A 27 -0.233 -6.015 -0.273 1.00 0.00 C ATOM 444 CG TYR A 27 1.211 -6.078 0.156 1.00 0.00 C ATOM 445 CD1 TYR A 27 2.225 -6.136 -0.808 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.537 -6.079 1.517 1.00 0.00 C ATOM 447 CE1 TYR A 27 3.566 -6.193 -0.409 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.876 -6.137 1.915 1.00 0.00 C ATOM 449 CZ TYR A 27 3.892 -6.194 0.952 1.00 0.00 C ATOM 450 OH TYR A 27 5.214 -6.248 1.344 1.00 0.00 O ATOM 0 H TYR A 27 -2.169 -5.063 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.620 -4.046 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.865 -6.501 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.368 -6.557 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.973 -6.137 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.754 -6.035 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.349 -6.236 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.127 -6.138 2.965 1.00 0.00 H new ATOM 0 HH TYR A 27 5.691 -6.906 0.796 1.00 0.00 H new ATOM 460 N ALA A 28 0.906 -2.788 -1.005 1.00 0.00 N ATOM 461 CA ALA A 28 1.848 -2.058 -1.911 1.00 0.00 C ATOM 462 C ALA A 28 3.144 -1.757 -1.164 1.00 0.00 C ATOM 463 O ALA A 28 3.150 -1.554 0.034 1.00 0.00 O ATOM 464 CB ALA A 28 1.202 -0.749 -2.371 1.00 0.00 C ATOM 0 H ALA A 28 0.799 -2.382 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 28 2.069 -2.677 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.888 -0.217 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.279 -0.968 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.979 -0.129 -1.503 1.00 0.00 H new ATOM 470 N LEU A 29 4.244 -1.737 -1.865 1.00 0.00 N ATOM 471 CA LEU A 29 5.551 -1.466 -1.206 1.00 0.00 C ATOM 472 C LEU A 29 5.862 0.026 -1.287 1.00 0.00 C ATOM 473 O LEU A 29 5.828 0.619 -2.348 1.00 0.00 O ATOM 474 CB LEU A 29 6.642 -2.249 -1.940 1.00 0.00 C ATOM 475 CG LEU A 29 6.298 -3.743 -1.934 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.346 -4.512 -2.746 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.278 -4.269 -0.488 1.00 0.00 C ATOM 0 H LEU A 29 4.293 -1.898 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 29 5.510 -1.770 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.733 -1.891 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.606 -2.086 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 29 5.314 -3.887 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.102 -5.574 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.352 -4.145 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.330 -4.364 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.033 -5.331 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.258 -4.124 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.528 -3.725 0.087 1.00 0.00 H new ATOM 489 N ILE A 30 6.176 0.631 -0.166 1.00 0.00 N ATOM 490 CA ILE A 30 6.506 2.088 -0.149 1.00 0.00 C ATOM 491 C ILE A 30 7.997 2.259 0.137 1.00 0.00 C ATOM 492 O ILE A 30 8.516 1.731 1.102 1.00 0.00 O ATOM 493 CB ILE A 30 5.693 2.786 0.945 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.205 2.739 0.579 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.148 4.243 1.069 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.366 3.232 1.759 1.00 0.00 C ATOM 0 H ILE A 30 6.218 0.172 0.744 1.00 0.00 H new ATOM 0 HA ILE A 30 6.263 2.530 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 30 5.849 2.279 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.017 3.359 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.917 1.721 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.569 4.740 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.206 4.273 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.993 4.755 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.309 3.197 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.545 2.594 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.645 4.257 2.001 1.00 0.00 H new ATOM 508 N ARG A 31 8.688 3.001 -0.694 1.00 0.00 N ATOM 509 CA ARG A 31 10.153 3.224 -0.486 1.00 0.00 C ATOM 510 C ARG A 31 10.462 4.712 -0.614 1.00 0.00 C ATOM 511 O ARG A 31 10.022 5.374 -1.533 1.00 0.00 O ATOM 512 CB ARG A 31 10.942 2.445 -1.540 1.00 0.00 C ATOM 513 CG ARG A 31 12.442 2.625 -1.292 1.00 0.00 C ATOM 514 CD ARG A 31 13.234 1.760 -2.275 1.00 0.00 C ATOM 515 NE ARG A 31 13.008 0.320 -1.965 1.00 0.00 N ATOM 516 CZ ARG A 31 13.385 -0.604 -2.808 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.959 -0.275 -3.932 1.00 0.00 N ATOM 518 NH2 ARG A 31 13.188 -1.862 -2.522 1.00 0.00 N ATOM 0 H ARG A 31 8.297 3.465 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 31 10.437 2.878 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.680 1.388 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.683 2.798 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.717 3.673 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.687 2.346 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.924 1.976 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.296 1.995 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 31 12.556 0.054 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.115 0.708 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.251 -1.000 -4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.741 -2.121 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.481 -2.586 -3.178 1.00 0.00 H new ATOM 532 N LYS A 32 11.221 5.243 0.309 1.00 0.00 N ATOM 533 CA LYS A 32 11.570 6.693 0.261 1.00 0.00 C ATOM 534 C LYS A 32 12.928 6.871 -0.423 1.00 0.00 C ATOM 535 O LYS A 32 13.917 6.273 -0.044 1.00 0.00 O ATOM 536 CB LYS A 32 11.620 7.248 1.688 1.00 0.00 C ATOM 537 CG LYS A 32 11.989 8.735 1.658 1.00 0.00 C ATOM 538 CD LYS A 32 11.960 9.299 3.082 1.00 0.00 C ATOM 539 CE LYS A 32 12.314 10.786 3.044 1.00 0.00 C ATOM 540 NZ LYS A 32 12.255 11.345 4.423 1.00 0.00 N ATOM 0 H LYS A 32 11.616 4.731 1.098 1.00 0.00 H new ATOM 0 HA LYS A 32 10.815 7.236 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.653 7.114 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.352 6.695 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.980 8.866 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.290 9.281 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.972 9.160 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.667 8.761 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.312 10.923 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.621 11.319 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.496 12.356 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.295 11.227 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.933 10.843 5.031 1.00 0.00 H new ATOM 554 N VAL A 33 12.968 7.687 -1.439 1.00 0.00 N ATOM 555 CA VAL A 33 14.237 7.920 -2.184 1.00 0.00 C ATOM 556 C VAL A 33 15.312 8.491 -1.256 1.00 0.00 C ATOM 557 O VAL A 33 15.060 9.373 -0.458 1.00 0.00 O ATOM 558 CB VAL A 33 13.968 8.913 -3.310 1.00 0.00 C ATOM 559 CG1 VAL A 33 15.276 9.237 -4.033 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.972 8.302 -4.297 1.00 0.00 C ATOM 0 H VAL A 33 12.165 8.209 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 33 14.593 6.972 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 33 13.552 9.831 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.081 9.947 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.983 9.673 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.697 8.322 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.778 9.010 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.388 7.384 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.039 8.076 -3.780 1.00 0.00 H new ATOM 570 N GLY A 34 16.518 7.995 -1.370 1.00 0.00 N ATOM 571 CA GLY A 34 17.635 8.495 -0.514 1.00 0.00 C ATOM 572 C GLY A 34 17.854 7.533 0.652 1.00 0.00 C ATOM 573 O GLY A 34 18.854 7.595 1.337 1.00 0.00 O ATOM 0 H GLY A 34 16.778 7.258 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.548 8.582 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.401 9.491 -0.138 1.00 0.00 H new ATOM 577 N VAL A 35 16.931 6.636 0.882 1.00 0.00 N ATOM 578 CA VAL A 35 17.099 5.670 2.005 1.00 0.00 C ATOM 579 C VAL A 35 16.342 4.372 1.691 1.00 0.00 C ATOM 580 O VAL A 35 15.273 4.128 2.215 1.00 0.00 O ATOM 581 CB VAL A 35 16.551 6.290 3.299 1.00 0.00 C ATOM 582 CG1 VAL A 35 17.546 7.324 3.846 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.213 6.979 3.010 1.00 0.00 C ATOM 0 H VAL A 35 16.072 6.532 0.342 1.00 0.00 H new ATOM 0 HA VAL A 35 18.158 5.443 2.132 1.00 0.00 H new ATOM 0 HB VAL A 35 16.407 5.502 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.151 7.759 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.498 6.837 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.697 8.111 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.824 7.419 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.360 7.762 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.501 6.246 2.629 1.00 0.00 H new ATOM 593 N PRO A 36 16.899 3.536 0.846 1.00 0.00 N ATOM 594 CA PRO A 36 16.266 2.240 0.467 1.00 0.00 C ATOM 595 C PRO A 36 16.424 1.202 1.584 1.00 0.00 C ATOM 596 O PRO A 36 15.848 0.131 1.545 1.00 0.00 O ATOM 597 CB PRO A 36 17.031 1.821 -0.797 1.00 0.00 C ATOM 598 CG PRO A 36 18.383 2.445 -0.659 1.00 0.00 C ATOM 599 CD PRO A 36 18.193 3.730 0.163 1.00 0.00 C ATOM 0 HA PRO A 36 15.192 2.325 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.103 0.736 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.526 2.170 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.074 1.765 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.807 2.670 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.004 3.869 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.177 4.613 -0.476 1.00 0.00 H new ATOM 607 N ASP A 37 17.221 1.517 2.573 1.00 0.00 N ATOM 608 CA ASP A 37 17.454 0.567 3.698 1.00 0.00 C ATOM 609 C ASP A 37 16.372 0.751 4.772 1.00 0.00 C ATOM 610 O ASP A 37 15.229 1.032 4.471 1.00 0.00 O ATOM 611 CB ASP A 37 18.824 0.854 4.314 1.00 0.00 C ATOM 612 CG ASP A 37 19.913 0.676 3.258 1.00 0.00 C ATOM 613 OD1 ASP A 37 19.692 -0.076 2.324 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.955 1.295 3.405 1.00 0.00 O ATOM 0 H ASP A 37 17.724 2.401 2.648 1.00 0.00 H new ATOM 0 HA ASP A 37 17.416 -0.455 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.850 1.870 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.004 0.181 5.153 1.00 0.00 H new ATOM 619 N ARG A 38 16.736 0.579 6.025 1.00 0.00 N ATOM 620 CA ARG A 38 15.763 0.728 7.153 1.00 0.00 C ATOM 621 C ARG A 38 14.597 -0.231 6.967 1.00 0.00 C ATOM 622 O ARG A 38 13.700 -0.303 7.782 1.00 0.00 O ATOM 623 CB ARG A 38 15.249 2.161 7.203 1.00 0.00 C ATOM 624 CG ARG A 38 16.402 3.086 7.572 1.00 0.00 C ATOM 625 CD ARG A 38 15.911 4.526 7.519 1.00 0.00 C ATOM 626 NE ARG A 38 17.001 5.452 7.945 1.00 0.00 N ATOM 627 CZ ARG A 38 17.938 5.804 7.106 1.00 0.00 C ATOM 628 NH1 ARG A 38 17.931 5.347 5.885 1.00 0.00 N ATOM 629 NH2 ARG A 38 18.886 6.615 7.491 1.00 0.00 N ATOM 0 H ARG A 38 17.684 0.338 6.315 1.00 0.00 H new ATOM 0 HA ARG A 38 16.268 0.494 8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.832 2.446 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.446 2.248 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.771 2.850 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.234 2.945 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.588 4.772 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.044 4.648 8.169 1.00 0.00 H new ATOM 0 HE ARG A 38 17.014 5.813 8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.192 4.712 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.664 5.624 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.894 6.973 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.618 6.891 6.837 1.00 0.00 H new ATOM 643 N THR A 39 14.633 -0.969 5.902 1.00 0.00 N ATOM 644 CA THR A 39 13.572 -1.968 5.596 1.00 0.00 C ATOM 645 C THR A 39 12.287 -1.252 5.120 1.00 0.00 C ATOM 646 O THR A 39 11.847 -0.304 5.744 1.00 0.00 O ATOM 647 CB THR A 39 13.267 -2.812 6.845 1.00 0.00 C ATOM 648 OG1 THR A 39 14.478 -3.098 7.531 1.00 0.00 O ATOM 649 CG2 THR A 39 12.593 -4.127 6.438 1.00 0.00 C ATOM 0 H THR A 39 15.377 -0.922 5.206 1.00 0.00 H new ATOM 0 HA THR A 39 13.927 -2.624 4.801 1.00 0.00 H new ATOM 0 HB THR A 39 12.597 -2.252 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.284 -3.634 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.381 -4.718 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.661 -3.912 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.257 -4.688 5.780 1.00 0.00 H new ATOM 657 N PRO A 40 11.681 -1.694 4.030 1.00 0.00 N ATOM 658 CA PRO A 40 10.433 -1.059 3.504 1.00 0.00 C ATOM 659 C PRO A 40 9.227 -1.306 4.416 1.00 0.00 C ATOM 660 O PRO A 40 9.173 -2.282 5.139 1.00 0.00 O ATOM 661 CB PRO A 40 10.229 -1.719 2.127 1.00 0.00 C ATOM 662 CG PRO A 40 10.941 -3.032 2.211 1.00 0.00 C ATOM 663 CD PRO A 40 12.106 -2.829 3.184 1.00 0.00 C ATOM 0 HA PRO A 40 10.524 0.026 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.170 -1.859 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.638 -1.100 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.271 -3.815 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.303 -3.341 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.287 -3.724 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.032 -2.606 2.655 1.00 0.00 H new ATOM 671 N ILE A 41 8.260 -0.424 4.376 1.00 0.00 N ATOM 672 CA ILE A 41 7.042 -0.582 5.226 1.00 0.00 C ATOM 673 C ILE A 41 5.812 -0.611 4.314 1.00 0.00 C ATOM 674 O ILE A 41 5.217 0.411 4.030 1.00 0.00 O ATOM 675 CB ILE A 41 6.937 0.599 6.196 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.236 0.707 7.033 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.724 0.401 7.118 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.202 -0.250 8.236 1.00 0.00 C ATOM 0 H ILE A 41 8.263 0.407 3.784 1.00 0.00 H new ATOM 0 HA ILE A 41 7.103 -1.507 5.799 1.00 0.00 H new ATOM 0 HB ILE A 41 6.806 1.522 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.097 0.476 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.362 1.731 7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.650 1.242 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.816 0.343 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.844 -0.523 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.127 -0.152 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.355 -0.001 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.101 -1.276 7.882 1.00 0.00 H new ATOM 690 N PRO A 42 5.435 -1.780 3.853 1.00 0.00 N ATOM 691 CA PRO A 42 4.256 -1.949 2.952 1.00 0.00 C ATOM 692 C PRO A 42 2.972 -1.364 3.549 1.00 0.00 C ATOM 693 O PRO A 42 2.768 -1.372 4.747 1.00 0.00 O ATOM 694 CB PRO A 42 4.136 -3.474 2.786 1.00 0.00 C ATOM 695 CG PRO A 42 5.500 -4.006 3.084 1.00 0.00 C ATOM 696 CD PRO A 42 6.098 -3.067 4.125 1.00 0.00 C ATOM 0 HA PRO A 42 4.391 -1.420 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.394 -3.888 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.822 -3.737 1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.447 -5.026 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.114 -4.032 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.899 -3.414 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.180 -2.990 4.021 1.00 0.00 H new ATOM 704 N THR A 43 2.111 -0.846 2.711 1.00 0.00 N ATOM 705 CA THR A 43 0.839 -0.246 3.203 1.00 0.00 C ATOM 706 C THR A 43 -0.302 -1.245 3.022 1.00 0.00 C ATOM 707 O THR A 43 -0.423 -1.890 1.992 1.00 0.00 O ATOM 708 CB THR A 43 0.539 1.027 2.413 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.815 1.399 2.620 1.00 0.00 O ATOM 710 CG2 THR A 43 0.782 0.785 0.923 1.00 0.00 C ATOM 0 H THR A 43 2.238 -0.814 1.699 1.00 0.00 H new ATOM 0 HA THR A 43 0.937 -0.001 4.261 1.00 0.00 H new ATOM 0 HB THR A 43 1.196 1.827 2.755 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.010 2.216 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.566 1.697 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.823 0.501 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.131 -0.016 0.574 1.00 0.00 H new ATOM 718 N THR A 44 -1.132 -1.376 4.027 1.00 0.00 N ATOM 719 CA THR A 44 -2.278 -2.329 3.958 1.00 0.00 C ATOM 720 C THR A 44 -3.522 -1.649 4.513 1.00 0.00 C ATOM 721 O THR A 44 -3.441 -0.600 5.122 1.00 0.00 O ATOM 722 CB THR A 44 -1.974 -3.562 4.805 1.00 0.00 C ATOM 723 OG1 THR A 44 -1.981 -3.204 6.182 1.00 0.00 O ATOM 724 CG2 THR A 44 -0.602 -4.109 4.426 1.00 0.00 C ATOM 0 H THR A 44 -1.062 -0.856 4.902 1.00 0.00 H new ATOM 0 HA THR A 44 -2.439 -2.627 2.922 1.00 0.00 H new ATOM 0 HB THR A 44 -2.732 -4.325 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.067 -3.242 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.382 -4.990 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.598 -4.382 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.156 -3.347 4.607 1.00 0.00 H new ATOM 732 N TYR A 45 -4.673 -2.241 4.312 1.00 0.00 N ATOM 733 CA TYR A 45 -5.933 -1.637 4.835 1.00 0.00 C ATOM 734 C TYR A 45 -6.797 -2.747 5.471 1.00 0.00 C ATOM 735 O TYR A 45 -6.929 -3.818 4.910 1.00 0.00 O ATOM 736 CB TYR A 45 -6.697 -0.985 3.672 1.00 0.00 C ATOM 737 CG TYR A 45 -7.599 0.105 4.208 1.00 0.00 C ATOM 738 CD1 TYR A 45 -7.034 1.255 4.768 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.992 -0.036 4.151 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.858 2.267 5.270 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.816 0.977 4.655 1.00 0.00 C ATOM 742 CZ TYR A 45 -9.250 2.128 5.214 1.00 0.00 C ATOM 743 OH TYR A 45 -10.062 3.126 5.711 1.00 0.00 O ATOM 0 H TYR A 45 -4.793 -3.119 3.807 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.704 -0.881 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.995 -0.568 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.288 -1.735 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.960 1.362 4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.429 -0.924 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.421 3.156 5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.890 0.870 4.612 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.001 2.872 5.594 1.00 0.00 H new ATOM 753 N PRO A 46 -7.388 -2.507 6.624 1.00 0.00 N ATOM 754 CA PRO A 46 -8.243 -3.527 7.302 1.00 0.00 C ATOM 755 C PRO A 46 -9.595 -3.712 6.594 1.00 0.00 C ATOM 756 O PRO A 46 -10.581 -3.096 6.946 1.00 0.00 O ATOM 757 CB PRO A 46 -8.427 -2.962 8.722 1.00 0.00 C ATOM 758 CG PRO A 46 -8.263 -1.480 8.583 1.00 0.00 C ATOM 759 CD PRO A 46 -7.305 -1.258 7.408 1.00 0.00 C ATOM 0 HA PRO A 46 -7.788 -4.518 7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.410 -3.213 9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.689 -3.377 9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.223 -0.999 8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.861 -1.046 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.601 -0.395 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.288 -1.073 7.754 1.00 0.00 H new ATOM 767 N GLU A 47 -9.652 -4.569 5.606 1.00 0.00 N ATOM 768 CA GLU A 47 -10.943 -4.794 4.897 1.00 0.00 C ATOM 769 C GLU A 47 -10.815 -6.027 3.995 1.00 0.00 C ATOM 770 O GLU A 47 -9.820 -6.723 4.022 1.00 0.00 O ATOM 771 CB GLU A 47 -11.299 -3.552 4.044 1.00 0.00 C ATOM 772 CG GLU A 47 -12.813 -3.308 4.085 1.00 0.00 C ATOM 773 CD GLU A 47 -13.170 -2.096 3.224 1.00 0.00 C ATOM 774 OE1 GLU A 47 -12.260 -1.411 2.793 1.00 0.00 O ATOM 775 OE2 GLU A 47 -14.352 -1.878 3.012 1.00 0.00 O ATOM 0 H GLU A 47 -8.864 -5.119 5.263 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.735 -4.958 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.770 -2.677 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.974 -3.701 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.342 -4.190 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.135 -3.142 5.113 1.00 0.00 H new ATOM 782 N PHE A 48 -11.818 -6.293 3.194 1.00 0.00 N ATOM 783 CA PHE A 48 -11.771 -7.469 2.277 1.00 0.00 C ATOM 784 C PHE A 48 -12.229 -7.039 0.880 1.00 0.00 C ATOM 785 O PHE A 48 -13.340 -6.577 0.702 1.00 0.00 O ATOM 786 CB PHE A 48 -12.707 -8.562 2.812 1.00 0.00 C ATOM 787 CG PHE A 48 -12.681 -8.555 4.325 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.483 -8.812 5.002 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.852 -8.295 5.049 1.00 0.00 C ATOM 790 CE1 PHE A 48 -11.455 -8.811 6.402 1.00 0.00 C ATOM 791 CE2 PHE A 48 -13.824 -8.295 6.448 1.00 0.00 C ATOM 792 CZ PHE A 48 -12.626 -8.553 7.125 1.00 0.00 C ATOM 0 H PHE A 48 -12.673 -5.740 3.138 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.753 -7.855 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.723 -8.392 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.396 -9.537 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.580 -9.011 4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.776 -8.095 4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.530 -9.009 6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.727 -8.096 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.605 -8.553 8.205 1.00 0.00 H new ATOM 802 N TYR A 49 -11.389 -7.206 -0.112 1.00 0.00 N ATOM 803 CA TYR A 49 -11.771 -6.831 -1.508 1.00 0.00 C ATOM 804 C TYR A 49 -11.895 -8.108 -2.334 1.00 0.00 C ATOM 805 O TYR A 49 -12.751 -8.232 -3.186 1.00 0.00 O ATOM 806 CB TYR A 49 -10.681 -5.942 -2.104 1.00 0.00 C ATOM 807 CG TYR A 49 -10.625 -4.643 -1.340 1.00 0.00 C ATOM 808 CD1 TYR A 49 -9.867 -4.553 -0.165 1.00 0.00 C ATOM 809 CD2 TYR A 49 -11.330 -3.527 -1.803 1.00 0.00 C ATOM 810 CE1 TYR A 49 -9.815 -3.347 0.543 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.279 -2.321 -1.095 1.00 0.00 C ATOM 812 CZ TYR A 49 -10.521 -2.231 0.078 1.00 0.00 C ATOM 813 OH TYR A 49 -10.470 -1.041 0.776 1.00 0.00 O ATOM 0 H TYR A 49 -10.449 -7.589 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.718 -6.291 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.717 -6.448 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.888 -5.750 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.323 -5.414 0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.915 -3.596 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.230 -3.277 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.824 -1.460 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.091 -1.079 1.533 1.00 0.00 H new ATOM 823 N ASP A 50 -11.041 -9.059 -2.075 1.00 0.00 N ATOM 824 CA ASP A 50 -11.086 -10.345 -2.825 1.00 0.00 C ATOM 825 C ASP A 50 -10.910 -10.082 -4.322 1.00 0.00 C ATOM 826 O ASP A 50 -10.905 -10.999 -5.120 1.00 0.00 O ATOM 827 CB ASP A 50 -12.432 -11.040 -2.581 1.00 0.00 C ATOM 828 CG ASP A 50 -12.364 -12.483 -3.087 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.265 -13.003 -3.193 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.413 -13.044 -3.360 1.00 0.00 O ATOM 0 H ASP A 50 -10.307 -8.999 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.278 -10.988 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.672 -11.028 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.229 -10.501 -3.094 1.00 0.00 H new ATOM 835 N LEU A 51 -10.760 -8.837 -4.710 1.00 0.00 N ATOM 836 CA LEU A 51 -10.580 -8.500 -6.158 1.00 0.00 C ATOM 837 C LEU A 51 -9.218 -7.839 -6.366 1.00 0.00 C ATOM 838 O LEU A 51 -8.873 -6.873 -5.714 1.00 0.00 O ATOM 839 CB LEU A 51 -11.694 -7.547 -6.592 1.00 0.00 C ATOM 840 CG LEU A 51 -13.049 -8.263 -6.490 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.173 -7.253 -6.743 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.136 -9.405 -7.525 1.00 0.00 C ATOM 0 H LEU A 51 -10.755 -8.035 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.626 -9.410 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.692 -6.658 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.523 -7.213 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.151 -8.690 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.137 -7.756 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.123 -6.458 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.060 -6.825 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.103 -9.901 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.027 -8.995 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.340 -10.126 -7.339 1.00 0.00 H new ATOM 854 N GLU A 52 -8.441 -8.364 -7.274 1.00 0.00 N ATOM 855 CA GLU A 52 -7.097 -7.786 -7.543 1.00 0.00 C ATOM 856 C GLU A 52 -7.250 -6.402 -8.179 1.00 0.00 C ATOM 857 O GLU A 52 -6.543 -5.472 -7.846 1.00 0.00 O ATOM 858 CB GLU A 52 -6.347 -8.705 -8.508 1.00 0.00 C ATOM 859 CG GLU A 52 -4.934 -8.164 -8.733 1.00 0.00 C ATOM 860 CD GLU A 52 -4.156 -9.117 -9.642 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.604 -10.238 -9.814 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.128 -8.707 -10.153 1.00 0.00 O ATOM 0 H GLU A 52 -8.683 -9.174 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.543 -7.694 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.301 -9.716 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.880 -8.766 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.981 -7.173 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.419 -8.055 -7.778 1.00 0.00 H new ATOM 869 N ALA A 53 -8.162 -6.264 -9.102 1.00 0.00 N ATOM 870 CA ALA A 53 -8.358 -4.945 -9.771 1.00 0.00 C ATOM 871 C ALA A 53 -8.724 -3.889 -8.727 1.00 0.00 C ATOM 872 O ALA A 53 -8.170 -2.806 -8.701 1.00 0.00 O ATOM 873 CB ALA A 53 -9.492 -5.066 -10.786 1.00 0.00 C ATOM 0 H ALA A 53 -8.781 -7.008 -9.423 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.438 -4.650 -10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.642 -4.106 -11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.236 -5.821 -11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.409 -5.358 -10.274 1.00 0.00 H new ATOM 879 N ASP A 54 -9.658 -4.194 -7.872 1.00 0.00 N ATOM 880 CA ASP A 54 -10.071 -3.215 -6.828 1.00 0.00 C ATOM 881 C ASP A 54 -8.917 -3.005 -5.844 1.00 0.00 C ATOM 882 O ASP A 54 -8.672 -1.910 -5.378 1.00 0.00 O ATOM 883 CB ASP A 54 -11.288 -3.766 -6.085 1.00 0.00 C ATOM 884 CG ASP A 54 -11.964 -2.643 -5.299 1.00 0.00 C ATOM 885 OD1 ASP A 54 -11.423 -1.551 -5.279 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.014 -2.895 -4.732 1.00 0.00 O ATOM 0 H ASP A 54 -10.156 -5.084 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.325 -2.262 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.992 -4.202 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.982 -4.564 -5.408 1.00 0.00 H new ATOM 891 N ALA A 55 -8.212 -4.055 -5.517 1.00 0.00 N ATOM 892 CA ALA A 55 -7.078 -3.928 -4.560 1.00 0.00 C ATOM 893 C ALA A 55 -6.004 -3.025 -5.169 1.00 0.00 C ATOM 894 O ALA A 55 -5.421 -2.198 -4.498 1.00 0.00 O ATOM 895 CB ALA A 55 -6.492 -5.316 -4.293 1.00 0.00 C ATOM 0 H ALA A 55 -8.374 -4.997 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.428 -3.493 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.661 -5.232 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.261 -5.960 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.136 -5.747 -5.229 1.00 0.00 H new ATOM 901 N GLU A 56 -5.741 -3.176 -6.437 1.00 0.00 N ATOM 902 CA GLU A 56 -4.710 -2.328 -7.095 1.00 0.00 C ATOM 903 C GLU A 56 -5.197 -0.877 -7.153 1.00 0.00 C ATOM 904 O GLU A 56 -4.464 0.047 -6.860 1.00 0.00 O ATOM 905 CB GLU A 56 -4.467 -2.844 -8.514 1.00 0.00 C ATOM 906 CG GLU A 56 -3.719 -4.179 -8.451 1.00 0.00 C ATOM 907 CD GLU A 56 -3.582 -4.756 -9.862 1.00 0.00 C ATOM 908 OE1 GLU A 56 -4.072 -4.130 -10.788 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.990 -5.815 -9.992 1.00 0.00 O ATOM 0 H GLU A 56 -6.198 -3.853 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.782 -2.372 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.417 -2.971 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.887 -2.117 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.733 -4.035 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.256 -4.879 -7.811 1.00 0.00 H new ATOM 916 N ARG A 57 -6.428 -0.670 -7.530 1.00 0.00 N ATOM 917 CA ARG A 57 -6.962 0.719 -7.606 1.00 0.00 C ATOM 918 C ARG A 57 -7.014 1.318 -6.199 1.00 0.00 C ATOM 919 O ARG A 57 -6.630 2.450 -5.975 1.00 0.00 O ATOM 920 CB ARG A 57 -8.374 0.680 -8.194 1.00 0.00 C ATOM 921 CG ARG A 57 -8.902 2.106 -8.366 1.00 0.00 C ATOM 922 CD ARG A 57 -10.313 2.068 -8.959 1.00 0.00 C ATOM 923 NE ARG A 57 -11.240 1.388 -8.007 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.832 2.064 -7.055 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.619 3.345 -6.925 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.641 1.453 -6.232 1.00 0.00 N ATOM 0 H ARG A 57 -7.088 -1.403 -7.789 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.317 1.329 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.363 0.168 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.036 0.114 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.916 2.617 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.238 2.673 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.661 3.081 -9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.303 1.540 -9.912 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.414 0.387 -8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.988 3.825 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.083 3.866 -6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.810 0.452 -6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.104 1.977 -5.489 1.00 0.00 H new ATOM 940 N VAL A 58 -7.487 0.559 -5.253 1.00 0.00 N ATOM 941 CA VAL A 58 -7.572 1.059 -3.855 1.00 0.00 C ATOM 942 C VAL A 58 -6.161 1.240 -3.293 1.00 0.00 C ATOM 943 O VAL A 58 -5.875 2.194 -2.600 1.00 0.00 O ATOM 944 CB VAL A 58 -8.352 0.054 -3.005 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.313 0.481 -1.536 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.808 0.001 -3.484 1.00 0.00 C ATOM 0 H VAL A 58 -7.821 -0.395 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.088 2.019 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.899 -0.932 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.869 -0.237 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.278 0.516 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.763 1.468 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.364 -0.715 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.260 0.988 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.836 -0.308 -4.529 1.00 0.00 H new ATOM 956 N SER A 59 -5.282 0.317 -3.568 1.00 0.00 N ATOM 957 CA SER A 59 -3.897 0.425 -3.035 1.00 0.00 C ATOM 958 C SER A 59 -3.278 1.753 -3.478 1.00 0.00 C ATOM 959 O SER A 59 -2.608 2.419 -2.715 1.00 0.00 O ATOM 960 CB SER A 59 -3.061 -0.730 -3.582 1.00 0.00 C ATOM 961 OG SER A 59 -3.054 -0.669 -5.001 1.00 0.00 O ATOM 0 H SER A 59 -5.464 -0.508 -4.140 1.00 0.00 H new ATOM 0 HA SER A 59 -3.920 0.383 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.042 -0.671 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.473 -1.683 -3.249 1.00 0.00 H new ATOM 0 HG SER A 59 -3.835 -0.165 -5.311 1.00 0.00 H new ATOM 967 N ILE A 60 -3.495 2.147 -4.702 1.00 0.00 N ATOM 968 CA ILE A 60 -2.918 3.434 -5.179 1.00 0.00 C ATOM 969 C ILE A 60 -3.553 4.599 -4.405 1.00 0.00 C ATOM 970 O ILE A 60 -2.877 5.509 -3.960 1.00 0.00 O ATOM 971 CB ILE A 60 -3.221 3.587 -6.672 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.440 2.531 -7.461 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.811 4.983 -7.146 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.951 2.482 -8.904 1.00 0.00 C ATOM 0 H ILE A 60 -4.046 1.635 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.840 3.441 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.290 3.452 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.376 2.768 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.554 1.554 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.029 5.085 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.368 5.735 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.743 5.125 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.393 1.730 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.010 2.224 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.814 3.457 -9.372 1.00 0.00 H new ATOM 986 N ALA A 61 -4.848 4.574 -4.246 1.00 0.00 N ATOM 987 CA ALA A 61 -5.536 5.673 -3.513 1.00 0.00 C ATOM 988 C ALA A 61 -5.144 5.640 -2.034 1.00 0.00 C ATOM 989 O ALA A 61 -4.837 6.655 -1.439 1.00 0.00 O ATOM 990 CB ALA A 61 -7.048 5.484 -3.644 1.00 0.00 C ATOM 0 H ALA A 61 -5.461 3.837 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.242 6.634 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.562 6.284 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.328 5.511 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.333 4.522 -3.218 1.00 0.00 H new ATOM 996 N CYS A 62 -5.163 4.482 -1.437 1.00 0.00 N ATOM 997 CA CYS A 62 -4.801 4.376 0.002 1.00 0.00 C ATOM 998 C CYS A 62 -3.322 4.721 0.183 1.00 0.00 C ATOM 999 O CYS A 62 -2.959 5.518 1.025 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.061 2.942 0.474 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.808 2.757 0.912 1.00 0.00 S ATOM 0 H CYS A 62 -5.415 3.601 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.402 5.070 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.796 2.235 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.433 2.712 1.335 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.029 1.539 1.310 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.469 4.123 -0.603 1.00 0.00 N ATOM 1008 CA ALA A 63 -1.010 4.402 -0.481 1.00 0.00 C ATOM 1009 C ALA A 63 -0.782 5.910 -0.363 1.00 0.00 C ATOM 1010 O ALA A 63 -0.032 6.371 0.475 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.297 3.878 -1.725 1.00 0.00 C ATOM 0 H ALA A 63 -2.721 3.450 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.617 3.908 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.771 4.078 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.459 2.804 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.693 4.377 -2.609 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.424 6.682 -1.194 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.247 8.159 -1.122 1.00 0.00 C ATOM 1019 C LYS A 64 -1.764 8.670 0.228 1.00 0.00 C ATOM 1020 O LYS A 64 -1.159 9.519 0.854 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.032 8.814 -2.255 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.395 8.444 -3.598 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.201 9.074 -4.735 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.563 8.708 -6.077 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.350 9.318 -7.187 1.00 0.00 N ATOM 0 H LYS A 64 -2.063 6.355 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.190 8.409 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.071 8.484 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.038 9.897 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.363 8.794 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.368 7.360 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.232 8.722 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.230 10.157 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.533 9.063 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.531 7.625 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.916 9.069 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.326 8.959 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.358 10.352 -7.079 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.882 8.166 0.679 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.436 8.625 1.985 1.00 0.00 C ATOM 1041 C ILE A 65 -2.470 8.245 3.111 1.00 0.00 C ATOM 1042 O ILE A 65 -2.194 9.027 3.999 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.795 7.955 2.223 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.810 8.493 1.206 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.281 8.261 3.643 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.101 7.665 1.258 1.00 0.00 C ATOM 0 H ILE A 65 -3.435 7.456 0.199 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.563 9.707 1.969 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.694 6.876 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.031 9.539 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.385 8.456 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.247 7.783 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.559 7.879 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.383 9.339 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.814 8.056 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.876 6.625 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.532 7.725 2.258 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.955 7.047 3.081 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.008 6.611 4.144 1.00 0.00 C ATOM 1060 C ILE A 66 0.257 7.474 4.057 1.00 0.00 C ATOM 1061 O ILE A 66 0.767 7.951 5.051 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.667 5.118 3.930 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.805 4.220 4.468 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.642 4.759 4.649 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.955 4.161 3.457 1.00 0.00 C ATOM 0 H ILE A 66 -2.150 6.349 2.363 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.453 6.731 5.132 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.550 4.949 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.427 3.216 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.167 4.610 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.868 3.705 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.454 5.369 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.534 4.949 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.750 3.526 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.343 5.166 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.591 3.750 2.515 1.00 0.00 H new ATOM 1077 N ILE A 67 0.763 7.685 2.874 1.00 0.00 N ATOM 1078 CA ILE A 67 1.981 8.524 2.733 1.00 0.00 C ATOM 1079 C ILE A 67 1.653 9.949 3.184 1.00 0.00 C ATOM 1080 O ILE A 67 2.407 10.579 3.901 1.00 0.00 O ATOM 1081 CB ILE A 67 2.427 8.522 1.269 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.940 7.126 0.899 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.541 9.550 1.066 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.082 7.014 -0.621 1.00 0.00 C ATOM 0 H ILE A 67 0.386 7.313 2.002 1.00 0.00 H new ATOM 0 HA ILE A 67 2.788 8.127 3.349 1.00 0.00 H new ATOM 0 HB ILE A 67 1.582 8.782 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.902 6.943 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.251 6.366 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.855 9.545 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.173 10.542 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.390 9.297 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.447 6.020 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.112 7.178 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.788 7.764 -0.977 1.00 0.00 H new ATOM 1096 N ASP A 68 0.523 10.458 2.774 1.00 0.00 N ATOM 1097 CA ASP A 68 0.125 11.833 3.182 1.00 0.00 C ATOM 1098 C ASP A 68 -0.069 11.871 4.698 1.00 0.00 C ATOM 1099 O ASP A 68 0.326 12.805 5.367 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.189 12.200 2.496 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.944 12.443 1.007 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.207 12.594 0.631 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.914 12.477 0.266 1.00 0.00 O ATOM 0 H ASP A 68 -0.144 9.977 2.171 1.00 0.00 H new ATOM 0 HA ASP A 68 0.901 12.542 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.916 11.398 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.613 13.093 2.955 1.00 0.00 H new ATOM 1108 N SER A 69 -0.684 10.855 5.240 1.00 0.00 N ATOM 1109 CA SER A 69 -0.918 10.810 6.708 1.00 0.00 C ATOM 1110 C SER A 69 0.426 10.831 7.436 1.00 0.00 C ATOM 1111 O SER A 69 0.588 11.489 8.444 1.00 0.00 O ATOM 1112 CB SER A 69 -1.673 9.530 7.055 1.00 0.00 C ATOM 1113 OG SER A 69 -2.910 9.511 6.354 1.00 0.00 O ATOM 0 H SER A 69 -1.036 10.049 4.723 1.00 0.00 H new ATOM 0 HA SER A 69 -1.507 11.674 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.076 8.658 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.850 9.478 8.129 1.00 0.00 H new ATOM 0 HG SER A 69 -2.807 9.002 5.523 1.00 0.00 H new ATOM 1119 N HIS A 70 1.394 10.114 6.934 1.00 0.00 N ATOM 1120 CA HIS A 70 2.727 10.095 7.595 1.00 0.00 C ATOM 1121 C HIS A 70 3.279 11.518 7.651 1.00 0.00 C ATOM 1122 O HIS A 70 3.791 11.961 8.661 1.00 0.00 O ATOM 1123 CB HIS A 70 3.679 9.215 6.788 1.00 0.00 C ATOM 1124 CG HIS A 70 5.022 9.197 7.459 1.00 0.00 C ATOM 1125 ND1 HIS A 70 5.169 8.894 8.803 1.00 0.00 N ATOM 1126 CD2 HIS A 70 6.286 9.456 6.992 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.479 8.980 9.096 1.00 0.00 C ATOM 1128 NE2 HIS A 70 7.205 9.319 8.027 1.00 0.00 N ATOM 0 H HIS A 70 1.318 9.541 6.094 1.00 0.00 H new ATOM 0 HA HIS A 70 2.631 9.698 8.605 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.283 8.202 6.714 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.772 9.596 5.771 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.530 9.725 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.894 8.797 10.076 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.216 9.449 7.980 1.00 0.00 H new ATOM 1136 N LEU A 71 3.175 12.236 6.570 1.00 0.00 N ATOM 1137 CA LEU A 71 3.685 13.632 6.543 1.00 0.00 C ATOM 1138 C LEU A 71 2.881 14.476 7.532 1.00 0.00 C ATOM 1139 O LEU A 71 3.416 15.301 8.244 1.00 0.00 O ATOM 1140 CB LEU A 71 3.511 14.191 5.131 1.00 0.00 C ATOM 1141 CG LEU A 71 4.435 13.448 4.154 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.057 13.830 2.719 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.911 13.811 4.416 1.00 0.00 C ATOM 0 H LEU A 71 2.756 11.913 5.698 1.00 0.00 H new ATOM 0 HA LEU A 71 4.739 13.655 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.473 14.085 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.740 15.257 5.122 1.00 0.00 H new ATOM 0 HG LEU A 71 4.314 12.374 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.709 13.306 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.021 13.550 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.172 14.906 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.548 13.274 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.051 14.884 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.179 13.532 5.435 1.00 0.00 H new ATOM 1155 N ASP A 72 1.594 14.273 7.576 1.00 0.00 N ATOM 1156 CA ASP A 72 0.743 15.054 8.511 1.00 0.00 C ATOM 1157 C ASP A 72 1.040 14.624 9.950 1.00 0.00 C ATOM 1158 O ASP A 72 1.588 15.373 10.736 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.728 14.780 8.196 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.084 15.367 6.828 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -0.320 16.179 6.333 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.117 14.991 6.299 1.00 0.00 O ATOM 0 H ASP A 72 1.094 13.595 7.000 1.00 0.00 H new ATOM 0 HA ASP A 72 0.954 16.117 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.917 13.706 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.362 15.219 8.966 1.00 0.00 H new ATOM 1167 N ARG A 73 0.676 13.417 10.296 1.00 0.00 N ATOM 1168 CA ARG A 73 0.923 12.915 11.678 1.00 0.00 C ATOM 1169 C ARG A 73 0.988 11.387 11.656 1.00 0.00 C ATOM 1170 O ARG A 73 2.051 10.800 11.646 1.00 0.00 O ATOM 1171 CB ARG A 73 -0.222 13.356 12.599 1.00 0.00 C ATOM 1172 CG ARG A 73 0.057 12.889 14.035 1.00 0.00 C ATOM 1173 CD ARG A 73 -1.099 13.310 14.942 1.00 0.00 C ATOM 1174 NE ARG A 73 -0.758 13.001 16.361 1.00 0.00 N ATOM 1175 CZ ARG A 73 -1.014 11.822 16.867 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -1.553 10.889 16.130 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -0.724 11.576 18.115 1.00 0.00 N ATOM 0 H ARG A 73 0.214 12.753 9.674 1.00 0.00 H new ATOM 0 HA ARG A 73 1.865 13.321 12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.325 14.441 12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.165 12.938 12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.177 11.806 14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.991 13.321 14.394 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.295 14.376 14.828 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.010 12.786 14.654 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.321 13.716 16.943 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.777 11.077 15.153 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.750 9.972 16.531 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.299 12.302 18.692 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.922 10.658 18.513 1.00 0.00 H new ATOM 1191 N HIS A 74 -0.155 10.753 11.650 1.00 0.00 N ATOM 1192 CA HIS A 74 -0.211 9.264 11.627 1.00 0.00 C ATOM 1193 C HIS A 74 0.451 8.679 12.880 1.00 0.00 C ATOM 1194 O HIS A 74 1.248 9.319 13.539 1.00 0.00 O ATOM 1195 CB HIS A 74 0.496 8.733 10.377 1.00 0.00 C ATOM 1196 CG HIS A 74 0.175 7.276 10.209 1.00 0.00 C ATOM 1197 ND1 HIS A 74 1.030 6.278 10.644 1.00 0.00 N ATOM 1198 CD2 HIS A 74 -0.908 6.632 9.664 1.00 0.00 C ATOM 1199 CE1 HIS A 74 0.454 5.097 10.356 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -0.729 5.255 9.757 1.00 0.00 N ATOM 0 H HIS A 74 -1.066 11.213 11.660 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.257 8.960 11.609 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.175 9.292 9.498 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.573 8.872 10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.768 7.120 9.229 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.895 4.137 10.582 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.364 4.524 9.437 1.00 0.00 H new ATOM 1208 N ASP A 75 0.116 7.458 13.207 1.00 0.00 N ATOM 1209 CA ASP A 75 0.704 6.804 14.411 1.00 0.00 C ATOM 1210 C ASP A 75 2.121 6.329 14.099 1.00 0.00 C ATOM 1211 O ASP A 75 3.090 7.015 14.365 1.00 0.00 O ATOM 1212 CB ASP A 75 -0.151 5.595 14.787 1.00 0.00 C ATOM 1213 CG ASP A 75 -1.503 6.062 15.328 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -1.610 7.223 15.688 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -2.410 5.247 15.376 1.00 0.00 O ATOM 0 H ASP A 75 -0.546 6.882 12.686 1.00 0.00 H new ATOM 0 HA ASP A 75 0.732 7.518 15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.299 4.958 13.915 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.363 4.994 15.537 1.00 0.00 H new ATOM 1220 N GLN A 76 2.247 5.153 13.540 1.00 0.00 N ATOM 1221 CA GLN A 76 3.598 4.613 13.205 1.00 0.00 C ATOM 1222 C GLN A 76 3.536 3.913 11.848 1.00 0.00 C ATOM 1223 O GLN A 76 3.489 2.702 11.761 1.00 0.00 O ATOM 1224 CB GLN A 76 4.028 3.619 14.287 1.00 0.00 C ATOM 1225 CG GLN A 76 5.458 3.155 14.009 1.00 0.00 C ATOM 1226 CD GLN A 76 5.899 2.173 15.094 1.00 0.00 C ATOM 1227 OE1 GLN A 76 5.149 1.299 15.482 1.00 0.00 O ATOM 1228 NE2 GLN A 76 7.096 2.280 15.603 1.00 0.00 N ATOM 0 H GLN A 76 1.467 4.541 13.300 1.00 0.00 H new ATOM 0 HA GLN A 76 4.323 5.426 13.158 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.970 4.086 15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.352 2.764 14.300 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.513 2.679 13.030 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.131 4.012 13.985 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.725 3.014 15.277 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.402 1.630 16.327 1.00 0.00 H new ATOM 1237 N GLY A 77 3.528 4.677 10.785 1.00 0.00 N ATOM 1238 CA GLY A 77 3.467 4.079 9.416 1.00 0.00 C ATOM 1239 C GLY A 77 4.876 4.018 8.826 1.00 0.00 C ATOM 1240 O GLY A 77 5.623 3.094 9.070 1.00 0.00 O ATOM 0 H GLY A 77 3.561 5.696 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.037 3.079 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.818 4.676 8.775 1.00 0.00 H new ATOM 1244 N LEU A 78 5.247 5.003 8.053 1.00 0.00 N ATOM 1245 CA LEU A 78 6.610 5.012 7.449 1.00 0.00 C ATOM 1246 C LEU A 78 7.582 5.624 8.459 1.00 0.00 C ATOM 1247 O LEU A 78 8.538 6.286 8.103 1.00 0.00 O ATOM 1248 CB LEU A 78 6.589 5.847 6.168 1.00 0.00 C ATOM 1249 CG LEU A 78 5.387 5.440 5.307 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.388 6.256 4.012 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.466 3.948 4.968 1.00 0.00 C ATOM 0 H LEU A 78 4.663 5.804 7.813 1.00 0.00 H new ATOM 0 HA LEU A 78 6.925 3.998 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.530 6.907 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.514 5.700 5.611 1.00 0.00 H new ATOM 0 HG LEU A 78 4.469 5.633 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.534 5.967 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.321 7.317 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.310 6.065 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.608 3.668 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.385 3.748 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.461 3.365 5.889 1.00 0.00 H new ATOM 1263 N ALA A 79 7.332 5.406 9.723 1.00 0.00 N ATOM 1264 CA ALA A 79 8.221 5.963 10.779 1.00 0.00 C ATOM 1265 C ALA A 79 9.612 5.342 10.653 1.00 0.00 C ATOM 1266 O ALA A 79 10.618 5.997 10.846 1.00 0.00 O ATOM 1267 CB ALA A 79 7.632 5.621 12.147 1.00 0.00 C ATOM 0 H ALA A 79 6.543 4.861 10.070 1.00 0.00 H new ATOM 0 HA ALA A 79 8.299 7.044 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.274 6.024 12.931 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.637 6.057 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.565 4.538 12.254 1.00 0.00 H new ATOM 1273 N ASP A 80 9.675 4.081 10.334 1.00 0.00 N ATOM 1274 CA ASP A 80 10.996 3.411 10.196 1.00 0.00 C ATOM 1275 C ASP A 80 11.784 4.059 9.056 1.00 0.00 C ATOM 1276 O ASP A 80 12.957 4.349 9.184 1.00 0.00 O ATOM 1277 CB ASP A 80 10.775 1.933 9.875 1.00 0.00 C ATOM 1278 CG ASP A 80 10.263 1.204 11.119 1.00 0.00 C ATOM 1279 OD1 ASP A 80 10.339 1.775 12.194 1.00 0.00 O ATOM 1280 OD2 ASP A 80 9.805 0.081 10.974 1.00 0.00 O ATOM 0 H ASP A 80 8.866 3.484 10.162 1.00 0.00 H new ATOM 0 HA ASP A 80 11.554 3.511 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.057 1.831 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.707 1.482 9.536 1.00 0.00 H new ATOM 1285 N LEU A 81 11.147 4.284 7.939 1.00 0.00 N ATOM 1286 CA LEU A 81 11.854 4.906 6.784 1.00 0.00 C ATOM 1287 C LEU A 81 12.262 6.338 7.137 1.00 0.00 C ATOM 1288 O LEU A 81 13.344 6.786 6.811 1.00 0.00 O ATOM 1289 CB LEU A 81 10.917 4.928 5.574 1.00 0.00 C ATOM 1290 CG LEU A 81 10.638 3.494 5.096 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.566 3.527 4.000 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.927 2.843 4.548 1.00 0.00 C ATOM 0 H LEU A 81 10.165 4.063 7.777 1.00 0.00 H new ATOM 0 HA LEU A 81 12.747 4.326 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.981 5.420 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.366 5.508 4.767 1.00 0.00 H new ATOM 0 HG LEU A 81 10.285 2.901 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.364 2.512 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.651 3.964 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.920 4.129 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.709 1.828 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.301 3.428 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.682 2.812 5.334 1.00 0.00 H new ATOM 1304 N GLY A 82 11.399 7.063 7.792 1.00 0.00 N ATOM 1305 CA GLY A 82 11.728 8.466 8.156 1.00 0.00 C ATOM 1306 C GLY A 82 10.676 8.995 9.128 1.00 0.00 C ATOM 1307 O GLY A 82 9.926 9.872 8.736 1.00 0.00 O ATOM 1308 OXT GLY A 82 10.639 8.513 10.247 1.00 0.00 O ATOM 0 H GLY A 82 10.478 6.742 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.717 8.513 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.759 9.088 7.262 1.00 0.00 H new TER 1312 GLY A 82