USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 52 THR OG1 : rot 180:sc= 0.603 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -133:sc= 0.57 (180deg=-0.672) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -116:sc= 0.998 (180deg=-0.162) USER MOD Set 2.2: A 26 SER OG : rot 176:sc= 0.157 USER MOD Set 3.1: A 11 TYR OH : rot -40:sc= 0.376 USER MOD Set 3.2: A 15 ASN : amide:sc= -1.15! C(o=-0.78!,f=-9.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0709 (180deg=-0.34) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.46 F(o=-1.4,f=-0.46) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.425 K(o=-0.42,f=-2.5!) USER MOD Single : A 17 SER OG : rot 101:sc= -0.348! USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 27 SER OG : rot -1:sc= 0.81 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -9.33! C(o=-9.3!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.737 F(o=-2.1!,f=-0.74) USER MOD Single : A 60 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-7.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.55) USER MOD Single : A 62 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-4.1!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.451 K(o=-0.45,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.714 -10.275 -11.806 1.00 1.00 N ATOM 2 CA MET A 1 52.368 -10.705 -10.539 1.00 1.00 C ATOM 3 C MET A 1 52.959 -9.487 -9.836 1.00 1.00 C ATOM 4 O MET A 1 53.174 -9.501 -8.624 1.00 1.00 O ATOM 5 CB MET A 1 53.475 -11.713 -10.855 1.00 1.00 C ATOM 6 CG MET A 1 52.899 -13.129 -10.825 1.00 1.00 C ATOM 7 SD MET A 1 54.181 -14.311 -11.313 1.00 1.00 S ATOM 8 CE MET A 1 54.852 -14.612 -9.660 1.00 1.00 C ATOM 0 H1 MET A 1 51.113 -11.044 -12.165 1.00 1.00 H new ATOM 0 H2 MET A 1 51.129 -9.434 -11.627 1.00 1.00 H new ATOM 0 H3 MET A 1 52.442 -10.046 -12.512 1.00 1.00 H new ATOM 0 HA MET A 1 51.632 -11.174 -9.886 1.00 1.00 H new ATOM 0 HB2 MET A 1 53.903 -11.504 -11.835 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.283 -11.622 -10.129 1.00 1.00 H new ATOM 0 HG2 MET A 1 52.534 -13.364 -9.825 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.047 -13.201 -11.500 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.672 -15.327 -9.725 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.219 -13.675 -9.240 1.00 1.00 H new ATOM 0 HE3 MET A 1 54.069 -15.015 -9.017 1.00 1.00 H new ATOM 20 N GLU A 2 53.218 -8.434 -10.605 1.00 1.00 N ATOM 21 CA GLU A 2 53.785 -7.213 -10.045 1.00 1.00 C ATOM 22 C GLU A 2 55.005 -7.532 -9.187 1.00 1.00 C ATOM 23 O GLU A 2 54.986 -7.345 -7.971 1.00 1.00 O ATOM 24 CB GLU A 2 52.736 -6.492 -9.195 1.00 1.00 C ATOM 25 CG GLU A 2 51.834 -5.651 -10.101 1.00 1.00 C ATOM 26 CD GLU A 2 50.656 -5.105 -9.301 1.00 1.00 C ATOM 27 OE1 GLU A 2 50.164 -5.820 -8.444 1.00 1.00 O ATOM 28 OE2 GLU A 2 50.263 -3.978 -9.558 1.00 1.00 O ATOM 0 H GLU A 2 53.046 -8.401 -11.610 1.00 1.00 H new ATOM 0 HA GLU A 2 54.093 -6.568 -10.868 1.00 1.00 H new ATOM 0 HB2 GLU A 2 52.139 -7.218 -8.642 1.00 1.00 H new ATOM 0 HB3 GLU A 2 53.225 -5.855 -8.458 1.00 1.00 H new ATOM 0 HG2 GLU A 2 52.404 -4.828 -10.533 1.00 1.00 H new ATOM 0 HG3 GLU A 2 51.471 -6.257 -10.931 1.00 1.00 H new ATOM 35 N GLU A 3 56.064 -8.013 -9.830 1.00 1.00 N ATOM 36 CA GLU A 3 57.288 -8.356 -9.115 1.00 1.00 C ATOM 37 C GLU A 3 58.332 -7.258 -9.286 1.00 1.00 C ATOM 38 O GLU A 3 59.463 -7.384 -8.816 1.00 1.00 O ATOM 39 CB GLU A 3 57.846 -9.681 -9.639 1.00 1.00 C ATOM 40 CG GLU A 3 57.867 -9.657 -11.168 1.00 1.00 C ATOM 41 CD GLU A 3 58.929 -10.618 -11.690 1.00 1.00 C ATOM 42 OE1 GLU A 3 58.732 -11.815 -11.561 1.00 1.00 O ATOM 43 OE2 GLU A 3 59.926 -10.143 -12.210 1.00 1.00 O ATOM 0 H GLU A 3 56.100 -8.173 -10.837 1.00 1.00 H new ATOM 0 HA GLU A 3 57.052 -8.456 -8.056 1.00 1.00 H new ATOM 0 HB2 GLU A 3 58.853 -9.842 -9.253 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.233 -10.511 -9.286 1.00 1.00 H new ATOM 0 HG2 GLU A 3 56.888 -9.937 -11.558 1.00 1.00 H new ATOM 0 HG3 GLU A 3 58.074 -8.647 -11.521 1.00 1.00 H new ATOM 50 N GLY A 4 57.946 -6.180 -9.961 1.00 1.00 N ATOM 51 CA GLY A 4 58.859 -5.066 -10.189 1.00 1.00 C ATOM 52 C GLY A 4 58.623 -3.953 -9.174 1.00 1.00 C ATOM 53 O GLY A 4 58.599 -2.774 -9.526 1.00 1.00 O ATOM 0 H GLY A 4 57.014 -6.054 -10.357 1.00 1.00 H new ATOM 0 HA2 GLY A 4 59.889 -5.415 -10.119 1.00 1.00 H new ATOM 0 HA3 GLY A 4 58.721 -4.678 -11.198 1.00 1.00 H new ATOM 57 N GLY A 5 58.449 -4.336 -7.913 1.00 1.00 N ATOM 58 CA GLY A 5 58.215 -3.361 -6.855 1.00 1.00 C ATOM 59 C GLY A 5 56.797 -2.807 -6.928 1.00 1.00 C ATOM 60 O GLY A 5 56.084 -3.029 -7.906 1.00 1.00 O ATOM 0 H GLY A 5 58.465 -5.307 -7.601 1.00 1.00 H new ATOM 0 HA2 GLY A 5 58.378 -3.827 -5.883 1.00 1.00 H new ATOM 0 HA3 GLY A 5 58.933 -2.545 -6.942 1.00 1.00 H new ATOM 64 N ASP A 6 56.394 -2.084 -5.887 1.00 1.00 N ATOM 65 CA ASP A 6 55.057 -1.504 -5.846 1.00 1.00 C ATOM 66 C ASP A 6 55.045 -0.136 -6.522 1.00 1.00 C ATOM 67 O ASP A 6 53.995 0.492 -6.649 1.00 1.00 O ATOM 68 CB ASP A 6 54.594 -1.361 -4.395 1.00 1.00 C ATOM 69 CG ASP A 6 53.289 -2.124 -4.188 1.00 1.00 C ATOM 70 OD1 ASP A 6 52.323 -1.799 -4.858 1.00 1.00 O ATOM 71 OD2 ASP A 6 53.275 -3.021 -3.361 1.00 1.00 O ATOM 0 H ASP A 6 56.969 -1.887 -5.068 1.00 1.00 H new ATOM 0 HA ASP A 6 54.377 -2.167 -6.381 1.00 1.00 H new ATOM 0 HB2 ASP A 6 55.360 -1.744 -3.720 1.00 1.00 H new ATOM 0 HB3 ASP A 6 54.452 -0.308 -4.152 1.00 1.00 H new ATOM 76 N PHE A 7 56.221 0.316 -6.952 1.00 1.00 N ATOM 77 CA PHE A 7 56.343 1.611 -7.615 1.00 1.00 C ATOM 78 C PHE A 7 56.397 2.740 -6.587 1.00 1.00 C ATOM 79 O PHE A 7 55.447 3.508 -6.430 1.00 1.00 O ATOM 80 CB PHE A 7 55.171 1.823 -8.581 1.00 1.00 C ATOM 81 CG PHE A 7 55.624 2.684 -9.736 1.00 1.00 C ATOM 82 CD1 PHE A 7 56.431 2.139 -10.741 1.00 1.00 C ATOM 83 CD2 PHE A 7 55.236 4.027 -9.801 1.00 1.00 C ATOM 84 CE1 PHE A 7 56.852 2.938 -11.812 1.00 1.00 C ATOM 85 CE2 PHE A 7 55.656 4.826 -10.872 1.00 1.00 C ATOM 86 CZ PHE A 7 56.464 4.281 -11.877 1.00 1.00 C ATOM 0 H PHE A 7 57.099 -0.193 -6.854 1.00 1.00 H new ATOM 0 HA PHE A 7 57.273 1.622 -8.184 1.00 1.00 H new ATOM 0 HB2 PHE A 7 54.810 0.863 -8.949 1.00 1.00 H new ATOM 0 HB3 PHE A 7 54.339 2.299 -8.062 1.00 1.00 H new ATOM 0 HD1 PHE A 7 56.729 1.102 -10.691 1.00 1.00 H new ATOM 0 HD2 PHE A 7 54.613 4.447 -9.025 1.00 1.00 H new ATOM 0 HE1 PHE A 7 57.476 2.518 -12.587 1.00 1.00 H new ATOM 0 HE2 PHE A 7 55.357 5.862 -10.923 1.00 1.00 H new ATOM 0 HZ PHE A 7 56.788 4.897 -12.703 1.00 1.00 H new ATOM 96 N ASP A 8 57.524 2.835 -5.889 1.00 1.00 N ATOM 97 CA ASP A 8 57.704 3.869 -4.881 1.00 1.00 C ATOM 98 C ASP A 8 56.733 3.665 -3.725 1.00 1.00 C ATOM 99 O ASP A 8 55.892 4.520 -3.447 1.00 1.00 O ATOM 100 CB ASP A 8 57.485 5.242 -5.510 1.00 1.00 C ATOM 101 CG ASP A 8 58.196 6.311 -4.688 1.00 1.00 C ATOM 102 OD1 ASP A 8 57.796 6.522 -3.555 1.00 1.00 O ATOM 103 OD2 ASP A 8 59.133 6.899 -5.200 1.00 1.00 O ATOM 0 H ASP A 8 58.322 2.210 -6.003 1.00 1.00 H new ATOM 0 HA ASP A 8 58.720 3.807 -4.492 1.00 1.00 H new ATOM 0 HB2 ASP A 8 57.862 5.247 -6.533 1.00 1.00 H new ATOM 0 HB3 ASP A 8 56.419 5.461 -5.563 1.00 1.00 H new ATOM 108 N ASN A 9 56.860 2.526 -3.053 1.00 1.00 N ATOM 109 CA ASN A 9 55.990 2.219 -1.923 1.00 1.00 C ATOM 110 C ASN A 9 56.559 2.810 -0.638 1.00 1.00 C ATOM 111 O ASN A 9 55.839 3.433 0.142 1.00 1.00 O ATOM 112 CB ASN A 9 55.842 0.704 -1.771 1.00 1.00 C ATOM 113 CG ASN A 9 54.385 0.348 -1.499 1.00 1.00 C ATOM 114 OD1 ASN A 9 53.451 0.817 -2.281 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 54.089 -0.371 -0.544 1.00 1.00 N flip ATOM 0 H ASN A 9 57.550 1.806 -3.268 1.00 1.00 H new ATOM 0 HA ASN A 9 55.011 2.659 -2.111 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.184 0.204 -2.677 1.00 1.00 H new ATOM 0 HB3 ASN A 9 56.470 0.349 -0.954 1.00 1.00 H new ATOM 0 HD21 ASN A 9 54.821 -0.736 0.066 1.00 1.00 H new ATOM 0 HD22 ASN A 9 53.112 -0.601 -0.363 1.00 1.00 H new ATOM 122 N TYR A 10 57.857 2.612 -0.426 1.00 1.00 N ATOM 123 CA TYR A 10 58.516 3.134 0.765 1.00 1.00 C ATOM 124 C TYR A 10 59.854 3.766 0.401 1.00 1.00 C ATOM 125 O TYR A 10 59.975 4.991 0.347 1.00 1.00 O ATOM 126 CB TYR A 10 58.737 2.010 1.779 1.00 1.00 C ATOM 127 CG TYR A 10 57.484 1.824 2.602 1.00 1.00 C ATOM 128 CD1 TYR A 10 57.258 2.631 3.723 1.00 1.00 C ATOM 129 CD2 TYR A 10 56.549 0.846 2.245 1.00 1.00 C ATOM 130 CE1 TYR A 10 56.096 2.462 4.485 1.00 1.00 C ATOM 131 CE2 TYR A 10 55.387 0.676 3.006 1.00 1.00 C ATOM 132 CZ TYR A 10 55.160 1.484 4.127 1.00 1.00 C ATOM 133 OH TYR A 10 54.015 1.316 4.877 1.00 1.00 O ATOM 0 H TYR A 10 58.469 2.097 -1.059 1.00 1.00 H new ATOM 0 HA TYR A 10 57.875 3.896 1.207 1.00 1.00 H new ATOM 0 HB2 TYR A 10 58.987 1.083 1.263 1.00 1.00 H new ATOM 0 HB3 TYR A 10 59.579 2.251 2.428 1.00 1.00 H new ATOM 0 HD1 TYR A 10 57.980 3.384 4.000 1.00 1.00 H new ATOM 0 HD2 TYR A 10 56.724 0.222 1.381 1.00 1.00 H new ATOM 0 HE1 TYR A 10 55.921 3.086 5.349 1.00 1.00 H new ATOM 0 HE2 TYR A 10 54.665 -0.078 2.729 1.00 1.00 H new ATOM 0 HH TYR A 10 53.473 0.597 4.490 1.00 1.00 H new ATOM 143 N TYR A 11 60.854 2.926 0.148 1.00 1.00 N ATOM 144 CA TYR A 11 62.179 3.419 -0.213 1.00 1.00 C ATOM 145 C TYR A 11 62.418 3.257 -1.708 1.00 1.00 C ATOM 146 O TYR A 11 63.555 3.131 -2.165 1.00 1.00 O ATOM 147 CB TYR A 11 63.253 2.670 0.584 1.00 1.00 C ATOM 148 CG TYR A 11 63.730 1.465 -0.196 1.00 1.00 C ATOM 149 CD1 TYR A 11 62.802 0.575 -0.750 1.00 1.00 C ATOM 150 CD2 TYR A 11 65.102 1.241 -0.365 1.00 1.00 C ATOM 151 CE1 TYR A 11 63.247 -0.539 -1.474 1.00 1.00 C ATOM 152 CE2 TYR A 11 65.546 0.128 -1.088 1.00 1.00 C ATOM 153 CZ TYR A 11 64.618 -0.762 -1.642 1.00 1.00 C ATOM 154 OH TYR A 11 65.056 -1.860 -2.355 1.00 1.00 O ATOM 0 H TYR A 11 60.773 1.910 0.186 1.00 1.00 H new ATOM 0 HA TYR A 11 62.236 4.480 0.031 1.00 1.00 H new ATOM 0 HB2 TYR A 11 64.092 3.334 0.792 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.850 2.354 1.546 1.00 1.00 H new ATOM 0 HD1 TYR A 11 61.744 0.747 -0.619 1.00 1.00 H new ATOM 0 HD2 TYR A 11 65.818 1.927 0.063 1.00 1.00 H new ATOM 0 HE1 TYR A 11 62.532 -1.226 -1.902 1.00 1.00 H new ATOM 0 HE2 TYR A 11 66.604 -0.044 -1.219 1.00 1.00 H new ATOM 0 HH TYR A 11 64.499 -2.636 -2.136 1.00 1.00 H new ATOM 164 N GLY A 12 61.329 3.277 -2.461 1.00 1.00 N ATOM 165 CA GLY A 12 61.401 3.140 -3.912 1.00 1.00 C ATOM 166 C GLY A 12 60.554 1.970 -4.398 1.00 1.00 C ATOM 167 O GLY A 12 60.385 1.772 -5.600 1.00 1.00 O ATOM 0 H GLY A 12 60.384 3.387 -2.094 1.00 1.00 H new ATOM 0 HA2 GLY A 12 61.059 4.061 -4.384 1.00 1.00 H new ATOM 0 HA3 GLY A 12 62.438 2.992 -4.215 1.00 1.00 H new ATOM 171 N ALA A 13 60.024 1.198 -3.456 1.00 1.00 N ATOM 172 CA ALA A 13 59.194 0.049 -3.807 1.00 1.00 C ATOM 173 C ALA A 13 59.026 -0.889 -2.615 1.00 1.00 C ATOM 174 O ALA A 13 57.971 -1.495 -2.439 1.00 1.00 O ATOM 175 CB ALA A 13 59.829 -0.716 -4.970 1.00 1.00 C ATOM 0 H ALA A 13 60.151 1.343 -2.454 1.00 1.00 H new ATOM 0 HA ALA A 13 58.211 0.418 -4.101 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.205 -1.572 -5.227 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.915 -0.058 -5.834 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.820 -1.064 -4.679 1.00 1.00 H new ATOM 181 N ASP A 14 60.075 -1.007 -1.805 1.00 1.00 N ATOM 182 CA ASP A 14 60.038 -1.877 -0.632 1.00 1.00 C ATOM 183 C ASP A 14 60.266 -3.334 -1.038 1.00 1.00 C ATOM 184 O ASP A 14 59.358 -4.164 -0.976 1.00 1.00 O ATOM 185 CB ASP A 14 58.693 -1.731 0.090 1.00 1.00 C ATOM 186 CG ASP A 14 58.871 -1.987 1.584 1.00 1.00 C ATOM 187 OD1 ASP A 14 59.366 -1.102 2.262 1.00 1.00 O ATOM 188 OD2 ASP A 14 58.501 -3.061 2.027 1.00 1.00 O ATOM 0 H ASP A 14 60.958 -0.514 -1.938 1.00 1.00 H new ATOM 0 HA ASP A 14 60.837 -1.579 0.047 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.292 -0.730 -0.070 1.00 1.00 H new ATOM 0 HB3 ASP A 14 57.971 -2.434 -0.324 1.00 1.00 H new ATOM 193 N ASN A 15 61.491 -3.639 -1.453 1.00 1.00 N ATOM 194 CA ASN A 15 61.831 -4.995 -1.867 1.00 1.00 C ATOM 195 C ASN A 15 61.215 -6.017 -0.917 1.00 1.00 C ATOM 196 O ASN A 15 61.734 -6.256 0.174 1.00 1.00 O ATOM 197 CB ASN A 15 63.350 -5.169 -1.891 1.00 1.00 C ATOM 198 CG ASN A 15 63.979 -4.432 -0.712 1.00 1.00 C ATOM 199 OD1 ASN A 15 63.803 -3.222 -0.570 1.00 1.00 O ATOM 200 ND2 ASN A 15 64.707 -5.093 0.145 1.00 1.00 N ATOM 0 H ASN A 15 62.260 -2.971 -1.511 1.00 1.00 H new ATOM 0 HA ASN A 15 61.431 -5.159 -2.868 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.604 -6.228 -1.845 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.753 -4.785 -2.828 1.00 1.00 H new ATOM 0 HD21 ASN A 15 65.132 -4.607 0.935 1.00 1.00 H new ATOM 0 HD22 ASN A 15 64.851 -6.096 0.025 1.00 1.00 H new ATOM 207 N GLN A 16 60.106 -6.615 -1.338 1.00 1.00 N ATOM 208 CA GLN A 16 59.428 -7.611 -0.516 1.00 1.00 C ATOM 209 C GLN A 16 60.163 -8.946 -0.574 1.00 1.00 C ATOM 210 O GLN A 16 59.545 -10.009 -0.540 1.00 1.00 O ATOM 211 CB GLN A 16 57.990 -7.798 -1.002 1.00 1.00 C ATOM 212 CG GLN A 16 58.002 -8.285 -2.452 1.00 1.00 C ATOM 213 CD GLN A 16 57.095 -7.406 -3.305 1.00 1.00 C ATOM 214 OE1 GLN A 16 56.041 -7.855 -3.759 1.00 1.00 O ATOM 215 NE2 GLN A 16 57.443 -6.172 -3.554 1.00 1.00 N ATOM 0 H GLN A 16 59.660 -6.430 -2.236 1.00 1.00 H new ATOM 0 HA GLN A 16 59.421 -7.258 0.515 1.00 1.00 H new ATOM 0 HB2 GLN A 16 57.472 -8.518 -0.369 1.00 1.00 H new ATOM 0 HB3 GLN A 16 57.444 -6.857 -0.927 1.00 1.00 H new ATOM 0 HG2 GLN A 16 59.019 -8.261 -2.844 1.00 1.00 H new ATOM 0 HG3 GLN A 16 57.667 -9.321 -2.499 1.00 1.00 H new ATOM 0 HE21 GLN A 16 58.316 -5.802 -3.177 1.00 1.00 H new ATOM 0 HE22 GLN A 16 56.842 -5.578 -4.125 1.00 1.00 H new ATOM 224 N SER A 17 61.487 -8.879 -0.665 1.00 1.00 N ATOM 225 CA SER A 17 62.306 -10.085 -0.730 1.00 1.00 C ATOM 226 C SER A 17 62.302 -10.656 -2.144 1.00 1.00 C ATOM 227 O SER A 17 62.255 -11.871 -2.333 1.00 1.00 O ATOM 228 CB SER A 17 61.775 -11.133 0.249 1.00 1.00 C ATOM 229 OG SER A 17 61.117 -10.481 1.327 1.00 1.00 O ATOM 0 H SER A 17 62.015 -8.007 -0.695 1.00 1.00 H new ATOM 0 HA SER A 17 63.328 -9.823 -0.458 1.00 1.00 H new ATOM 0 HB2 SER A 17 61.084 -11.805 -0.260 1.00 1.00 H new ATOM 0 HB3 SER A 17 62.595 -11.744 0.625 1.00 1.00 H new ATOM 0 HG SER A 17 60.147 -10.521 1.191 1.00 1.00 H new ATOM 235 N GLU A 18 62.352 -9.769 -3.132 1.00 1.00 N ATOM 236 CA GLU A 18 62.354 -10.192 -4.527 1.00 1.00 C ATOM 237 C GLU A 18 63.724 -10.733 -4.921 1.00 1.00 C ATOM 238 O GLU A 18 64.069 -10.774 -6.102 1.00 1.00 O ATOM 239 CB GLU A 18 61.992 -9.010 -5.427 1.00 1.00 C ATOM 240 CG GLU A 18 60.971 -9.459 -6.475 1.00 1.00 C ATOM 241 CD GLU A 18 59.607 -9.654 -5.824 1.00 1.00 C ATOM 242 OE1 GLU A 18 59.166 -8.749 -5.135 1.00 1.00 O ATOM 243 OE2 GLU A 18 59.022 -10.706 -6.023 1.00 1.00 O ATOM 0 H GLU A 18 62.391 -8.759 -2.994 1.00 1.00 H new ATOM 0 HA GLU A 18 61.615 -10.984 -4.650 1.00 1.00 H new ATOM 0 HB2 GLU A 18 61.581 -8.197 -4.829 1.00 1.00 H new ATOM 0 HB3 GLU A 18 62.886 -8.625 -5.917 1.00 1.00 H new ATOM 0 HG2 GLU A 18 60.901 -8.715 -7.269 1.00 1.00 H new ATOM 0 HG3 GLU A 18 61.298 -10.390 -6.938 1.00 1.00 H new ATOM 250 N CYS A 19 64.501 -11.147 -3.926 1.00 1.00 N ATOM 251 CA CYS A 19 65.832 -11.684 -4.182 1.00 1.00 C ATOM 252 C CYS A 19 66.271 -12.596 -3.041 1.00 1.00 C ATOM 253 O CYS A 19 67.316 -12.379 -2.427 1.00 1.00 O ATOM 254 CB CYS A 19 66.836 -10.540 -4.338 1.00 1.00 C ATOM 255 SG CYS A 19 68.284 -11.127 -5.250 1.00 1.00 S ATOM 0 H CYS A 19 64.235 -11.121 -2.942 1.00 1.00 H new ATOM 0 HA CYS A 19 65.797 -12.265 -5.104 1.00 1.00 H new ATOM 0 HB2 CYS A 19 66.374 -9.706 -4.866 1.00 1.00 H new ATOM 0 HB3 CYS A 19 67.136 -10.169 -3.358 1.00 1.00 H new ATOM 0 HG CYS A 19 69.136 -10.154 -5.384 1.00 1.00 H new ATOM 261 N GLU A 20 65.466 -13.616 -2.762 1.00 1.00 N ATOM 262 CA GLU A 20 65.783 -14.555 -1.692 1.00 1.00 C ATOM 263 C GLU A 20 66.727 -15.642 -2.196 1.00 1.00 C ATOM 264 O GLU A 20 66.784 -16.738 -1.636 1.00 1.00 O ATOM 265 CB GLU A 20 64.499 -15.197 -1.163 1.00 1.00 C ATOM 266 CG GLU A 20 63.677 -14.150 -0.409 1.00 1.00 C ATOM 267 CD GLU A 20 63.705 -14.444 1.088 1.00 1.00 C ATOM 268 OE1 GLU A 20 64.760 -14.293 1.682 1.00 1.00 O ATOM 269 OE2 GLU A 20 62.672 -14.816 1.617 1.00 1.00 O ATOM 0 H GLU A 20 64.596 -13.813 -3.257 1.00 1.00 H new ATOM 0 HA GLU A 20 66.274 -14.008 -0.887 1.00 1.00 H new ATOM 0 HB2 GLU A 20 63.917 -15.605 -1.989 1.00 1.00 H new ATOM 0 HB3 GLU A 20 64.742 -16.029 -0.502 1.00 1.00 H new ATOM 0 HG2 GLU A 20 64.078 -13.154 -0.600 1.00 1.00 H new ATOM 0 HG3 GLU A 20 62.648 -14.154 -0.770 1.00 1.00 H new ATOM 276 N TYR A 21 67.467 -15.331 -3.256 1.00 1.00 N ATOM 277 CA TYR A 21 68.406 -16.288 -3.828 1.00 1.00 C ATOM 278 C TYR A 21 67.697 -17.591 -4.183 1.00 1.00 C ATOM 279 O TYR A 21 67.693 -18.541 -3.400 1.00 1.00 O ATOM 280 CB TYR A 21 69.533 -16.573 -2.834 1.00 1.00 C ATOM 281 CG TYR A 21 70.575 -15.484 -2.927 1.00 1.00 C ATOM 282 CD1 TYR A 21 70.356 -14.252 -2.298 1.00 1.00 C ATOM 283 CD2 TYR A 21 71.758 -15.705 -3.641 1.00 1.00 C ATOM 284 CE1 TYR A 21 71.321 -13.241 -2.384 1.00 1.00 C ATOM 285 CE2 TYR A 21 72.723 -14.694 -3.727 1.00 1.00 C ATOM 286 CZ TYR A 21 72.505 -13.463 -3.099 1.00 1.00 C ATOM 287 OH TYR A 21 73.457 -12.467 -3.184 1.00 1.00 O ATOM 0 H TYR A 21 67.435 -14.430 -3.733 1.00 1.00 H new ATOM 0 HA TYR A 21 68.824 -15.857 -4.737 1.00 1.00 H new ATOM 0 HB2 TYR A 21 69.134 -16.624 -1.821 1.00 1.00 H new ATOM 0 HB3 TYR A 21 69.984 -17.542 -3.048 1.00 1.00 H new ATOM 0 HD1 TYR A 21 69.443 -14.082 -1.747 1.00 1.00 H new ATOM 0 HD2 TYR A 21 71.927 -16.655 -4.126 1.00 1.00 H new ATOM 0 HE1 TYR A 21 71.153 -12.291 -1.899 1.00 1.00 H new ATOM 0 HE2 TYR A 21 73.636 -14.865 -4.278 1.00 1.00 H new ATOM 0 HH TYR A 21 74.217 -12.785 -3.715 1.00 1.00 H new ATOM 297 N THR A 22 67.098 -17.629 -5.369 1.00 1.00 N ATOM 298 CA THR A 22 66.389 -18.821 -5.819 1.00 1.00 C ATOM 299 C THR A 22 65.128 -19.042 -4.990 1.00 1.00 C ATOM 300 O THR A 22 64.671 -20.174 -4.828 1.00 1.00 O ATOM 301 CB THR A 22 67.299 -20.045 -5.703 1.00 1.00 C ATOM 302 OG1 THR A 22 68.657 -19.624 -5.688 1.00 1.00 O ATOM 303 CG2 THR A 22 67.065 -20.975 -6.895 1.00 1.00 C ATOM 0 H THR A 22 67.089 -16.854 -6.032 1.00 1.00 H new ATOM 0 HA THR A 22 66.103 -18.678 -6.861 1.00 1.00 H new ATOM 0 HB THR A 22 67.073 -20.579 -4.780 1.00 1.00 H new ATOM 0 HG1 THR A 22 69.241 -20.407 -5.612 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.715 -21.846 -6.810 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.024 -21.298 -6.905 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.289 -20.444 -7.820 1.00 1.00 H new ATOM 311 N ASP A 23 64.570 -17.955 -4.469 1.00 1.00 N ATOM 312 CA ASP A 23 63.360 -18.044 -3.659 1.00 1.00 C ATOM 313 C ASP A 23 62.508 -16.790 -3.828 1.00 1.00 C ATOM 314 O ASP A 23 61.582 -16.548 -3.055 1.00 1.00 O ATOM 315 CB ASP A 23 63.730 -18.217 -2.185 1.00 1.00 C ATOM 316 CG ASP A 23 63.743 -19.698 -1.821 1.00 1.00 C ATOM 317 OD1 ASP A 23 64.767 -20.328 -2.024 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.728 -20.179 -1.345 1.00 1.00 O ATOM 0 H ASP A 23 64.932 -17.009 -4.591 1.00 1.00 H new ATOM 0 HA ASP A 23 62.785 -18.908 -3.993 1.00 1.00 H new ATOM 0 HB2 ASP A 23 64.709 -17.778 -1.993 1.00 1.00 H new ATOM 0 HB3 ASP A 23 63.015 -17.686 -1.557 1.00 1.00 H new ATOM 323 N TRP A 24 62.828 -15.995 -4.844 1.00 1.00 N ATOM 324 CA TRP A 24 62.085 -14.768 -5.105 1.00 1.00 C ATOM 325 C TRP A 24 60.884 -15.050 -6.001 1.00 1.00 C ATOM 326 O TRP A 24 59.965 -14.237 -6.099 1.00 1.00 O ATOM 327 CB TRP A 24 62.995 -13.738 -5.776 1.00 1.00 C ATOM 328 CG TRP A 24 63.449 -14.262 -7.101 1.00 1.00 C ATOM 329 CD1 TRP A 24 64.454 -15.150 -7.281 1.00 1.00 C ATOM 330 CD2 TRP A 24 62.936 -13.949 -8.428 1.00 1.00 C ATOM 331 NE1 TRP A 24 64.590 -15.401 -8.635 1.00 1.00 N ATOM 332 CE2 TRP A 24 63.676 -14.684 -9.383 1.00 1.00 C ATOM 333 CE3 TRP A 24 61.909 -13.106 -8.891 1.00 1.00 C ATOM 334 CZ2 TRP A 24 63.410 -14.587 -10.748 1.00 1.00 C ATOM 335 CZ3 TRP A 24 61.638 -13.006 -10.265 1.00 1.00 C ATOM 336 CH2 TRP A 24 62.386 -13.745 -11.192 1.00 1.00 C ATOM 0 H TRP A 24 63.591 -16.177 -5.496 1.00 1.00 H new ATOM 0 HA TRP A 24 61.729 -14.372 -4.154 1.00 1.00 H new ATOM 0 HB2 TRP A 24 62.461 -12.797 -5.909 1.00 1.00 H new ATOM 0 HB3 TRP A 24 63.856 -13.529 -5.141 1.00 1.00 H new ATOM 0 HD1 TRP A 24 65.052 -15.590 -6.497 1.00 1.00 H new ATOM 0 HE1 TRP A 24 65.281 -16.038 -9.032 1.00 1.00 H new ATOM 0 HE3 TRP A 24 61.326 -12.533 -8.186 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 63.991 -15.158 -11.457 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 60.848 -12.355 -10.610 1.00 1.00 H new ATOM 0 HH2 TRP A 24 62.172 -13.664 -12.247 1.00 1.00 H new ATOM 347 N LYS A 25 60.897 -16.208 -6.654 1.00 1.00 N ATOM 348 CA LYS A 25 59.803 -16.588 -7.540 1.00 1.00 C ATOM 349 C LYS A 25 58.868 -17.572 -6.845 1.00 1.00 C ATOM 350 O LYS A 25 57.998 -18.170 -7.479 1.00 1.00 O ATOM 351 CB LYS A 25 60.355 -17.220 -8.820 1.00 1.00 C ATOM 352 CG LYS A 25 61.620 -18.023 -8.501 1.00 1.00 C ATOM 353 CD LYS A 25 61.309 -19.068 -7.427 1.00 1.00 C ATOM 354 CE LYS A 25 62.421 -20.117 -7.400 1.00 1.00 C ATOM 355 NZ LYS A 25 62.265 -20.976 -6.193 1.00 1.00 N ATOM 0 H LYS A 25 61.648 -16.895 -6.587 1.00 1.00 H new ATOM 0 HA LYS A 25 59.242 -15.689 -7.796 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.604 -17.871 -9.268 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.581 -16.444 -9.551 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.989 -18.512 -9.402 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.409 -17.355 -8.155 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.223 -18.589 -6.452 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.350 -19.544 -7.634 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.381 -20.728 -8.302 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.396 -19.629 -7.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.086 -20.849 -5.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.398 -20.707 -5.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.202 -21.973 -6.482 1.00 1.00 H new ATOM 369 N SER A 26 59.053 -17.734 -5.539 1.00 1.00 N ATOM 370 CA SER A 26 58.219 -18.649 -4.767 1.00 1.00 C ATOM 371 C SER A 26 57.847 -18.030 -3.424 1.00 1.00 C ATOM 372 O SER A 26 56.676 -17.759 -3.158 1.00 1.00 O ATOM 373 CB SER A 26 58.965 -19.964 -4.535 1.00 1.00 C ATOM 374 OG SER A 26 60.265 -19.685 -4.035 1.00 1.00 O ATOM 0 H SER A 26 59.767 -17.248 -4.996 1.00 1.00 H new ATOM 0 HA SER A 26 57.306 -18.843 -5.330 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.417 -20.586 -3.828 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.034 -20.525 -5.467 1.00 1.00 H new ATOM 0 HG SER A 26 60.722 -20.526 -3.824 1.00 1.00 H new ATOM 380 N SER A 27 58.851 -17.809 -2.582 1.00 1.00 N ATOM 381 CA SER A 27 58.617 -17.220 -1.268 1.00 1.00 C ATOM 382 C SER A 27 58.411 -15.713 -1.385 1.00 1.00 C ATOM 383 O SER A 27 58.483 -14.989 -0.393 1.00 1.00 O ATOM 384 CB SER A 27 59.806 -17.504 -0.350 1.00 1.00 C ATOM 385 OG SER A 27 59.736 -16.652 0.785 1.00 1.00 O ATOM 0 H SER A 27 59.827 -18.027 -2.783 1.00 1.00 H new ATOM 0 HA SER A 27 57.717 -17.666 -0.846 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.797 -18.548 -0.037 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.741 -17.340 -0.885 1.00 1.00 H new ATOM 0 HG SER A 27 58.951 -16.070 0.709 1.00 1.00 H new ATOM 391 N GLY A 28 58.155 -15.249 -2.604 1.00 1.00 N ATOM 392 CA GLY A 28 57.940 -13.826 -2.839 1.00 1.00 C ATOM 393 C GLY A 28 56.881 -13.604 -3.913 1.00 1.00 C ATOM 394 O GLY A 28 57.063 -12.791 -4.819 1.00 1.00 O ATOM 0 H GLY A 28 58.092 -15.832 -3.438 1.00 1.00 H new ATOM 0 HA2 GLY A 28 57.630 -13.343 -1.912 1.00 1.00 H new ATOM 0 HA3 GLY A 28 58.876 -13.359 -3.144 1.00 1.00 H new ATOM 398 N ALA A 29 55.775 -14.333 -3.806 1.00 1.00 N ATOM 399 CA ALA A 29 54.693 -14.208 -4.774 1.00 1.00 C ATOM 400 C ALA A 29 53.340 -14.203 -4.068 1.00 1.00 C ATOM 401 O ALA A 29 52.406 -13.530 -4.503 1.00 1.00 O ATOM 402 CB ALA A 29 54.746 -15.368 -5.770 1.00 1.00 C ATOM 0 H ALA A 29 55.605 -15.012 -3.064 1.00 1.00 H new ATOM 0 HA ALA A 29 54.816 -13.265 -5.307 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.934 -15.267 -6.490 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.701 -15.353 -6.296 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.641 -16.312 -5.235 1.00 1.00 H new ATOM 408 N LEU A 30 53.245 -14.956 -2.977 1.00 1.00 N ATOM 409 CA LEU A 30 52.003 -15.034 -2.215 1.00 1.00 C ATOM 410 C LEU A 30 52.126 -14.256 -0.908 1.00 1.00 C ATOM 411 O LEU A 30 51.138 -14.049 -0.204 1.00 1.00 O ATOM 412 CB LEU A 30 51.667 -16.495 -1.909 1.00 1.00 C ATOM 413 CG LEU A 30 52.950 -17.256 -1.575 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.666 -18.278 -0.472 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.451 -17.983 -2.826 1.00 1.00 C ATOM 0 H LEU A 30 54.009 -15.518 -2.602 1.00 1.00 H new ATOM 0 HA LEU A 30 51.205 -14.595 -2.814 1.00 1.00 H new ATOM 0 HB2 LEU A 30 50.970 -16.551 -1.072 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.173 -16.953 -2.766 1.00 1.00 H new ATOM 0 HG LEU A 30 53.710 -16.554 -1.232 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.581 -18.820 -0.234 1.00 1.00 H new ATOM 0 HD12 LEU A 30 52.308 -17.762 0.419 1.00 1.00 H new ATOM 0 HD13 LEU A 30 51.906 -18.981 -0.814 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.366 -18.526 -2.589 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.690 -18.685 -3.168 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.654 -17.256 -3.613 1.00 1.00 H new ATOM 427 N ILE A 31 53.344 -13.827 -0.589 1.00 1.00 N ATOM 428 CA ILE A 31 53.579 -13.074 0.636 1.00 1.00 C ATOM 429 C ILE A 31 53.065 -11.636 0.504 1.00 1.00 C ATOM 430 O ILE A 31 52.495 -11.094 1.451 1.00 1.00 O ATOM 431 CB ILE A 31 55.080 -13.098 0.983 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.316 -14.112 2.106 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.566 -11.718 1.452 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.815 -15.488 1.663 1.00 1.00 C ATOM 0 H ILE A 31 54.176 -13.987 -1.157 1.00 1.00 H new ATOM 0 HA ILE A 31 53.026 -13.544 1.449 1.00 1.00 H new ATOM 0 HB ILE A 31 55.635 -13.375 0.087 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.377 -14.161 2.350 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.795 -13.797 3.010 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.629 -11.768 1.689 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.405 -10.987 0.660 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.010 -11.419 2.340 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.983 -16.211 2.462 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.749 -15.433 1.441 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.356 -15.802 0.770 1.00 1.00 H new ATOM 446 N PRO A 32 53.252 -11.007 -0.633 1.00 1.00 N ATOM 447 CA PRO A 32 52.794 -9.613 -0.858 1.00 1.00 C ATOM 448 C PRO A 32 51.354 -9.554 -1.359 1.00 1.00 C ATOM 449 O PRO A 32 50.961 -8.601 -2.034 1.00 1.00 O ATOM 450 CB PRO A 32 53.766 -9.101 -1.918 1.00 1.00 C ATOM 451 CG PRO A 32 54.179 -10.308 -2.703 1.00 1.00 C ATOM 452 CD PRO A 32 53.915 -11.543 -1.832 1.00 1.00 C ATOM 0 HA PRO A 32 52.792 -9.020 0.056 1.00 1.00 H new ATOM 0 HB2 PRO A 32 53.291 -8.360 -2.560 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.629 -8.618 -1.458 1.00 1.00 H new ATOM 0 HG2 PRO A 32 53.616 -10.369 -3.634 1.00 1.00 H new ATOM 0 HG3 PRO A 32 55.234 -10.247 -2.971 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.282 -12.265 -2.347 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.842 -12.056 -1.578 1.00 1.00 H new ATOM 460 N ALA A 33 50.575 -10.579 -1.026 1.00 1.00 N ATOM 461 CA ALA A 33 49.178 -10.640 -1.446 1.00 1.00 C ATOM 462 C ALA A 33 48.274 -10.940 -0.254 1.00 1.00 C ATOM 463 O ALA A 33 47.061 -11.079 -0.403 1.00 1.00 O ATOM 464 CB ALA A 33 49.001 -11.726 -2.507 1.00 1.00 C ATOM 0 H ALA A 33 50.885 -11.375 -0.469 1.00 1.00 H new ATOM 0 HA ALA A 33 48.900 -9.673 -1.865 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.956 -11.766 -2.816 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.626 -11.497 -3.370 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.294 -12.691 -2.093 1.00 1.00 H new ATOM 470 N ILE A 34 48.874 -11.037 0.928 1.00 1.00 N ATOM 471 CA ILE A 34 48.112 -11.319 2.139 1.00 1.00 C ATOM 472 C ILE A 34 48.702 -10.572 3.330 1.00 1.00 C ATOM 473 O ILE A 34 48.036 -9.737 3.943 1.00 1.00 O ATOM 474 CB ILE A 34 48.121 -12.821 2.421 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.157 -13.501 1.525 1.00 1.00 C ATOM 476 CG2 ILE A 34 46.735 -13.402 2.130 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.271 -14.976 1.905 1.00 1.00 C ATOM 0 H ILE A 34 49.877 -10.926 1.073 1.00 1.00 H new ATOM 0 HA ILE A 34 47.086 -10.983 1.987 1.00 1.00 H new ATOM 0 HB ILE A 34 48.376 -12.994 3.467 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.867 -13.406 0.479 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.125 -13.011 1.633 1.00 1.00 H new ATOM 0 HG21 ILE A 34 46.740 -14.473 2.331 1.00 1.00 H new ATOM 0 HG22 ILE A 34 45.996 -12.917 2.768 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.481 -13.230 1.084 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.009 -15.460 1.266 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.581 -15.060 2.947 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.304 -15.461 1.774 1.00 1.00 H new ATOM 489 N TYR A 35 49.954 -10.878 3.653 1.00 1.00 N ATOM 490 CA TYR A 35 50.623 -10.227 4.773 1.00 1.00 C ATOM 491 C TYR A 35 50.312 -8.734 4.789 1.00 1.00 C ATOM 492 O TYR A 35 50.313 -8.102 5.846 1.00 1.00 O ATOM 493 CB TYR A 35 52.135 -10.434 4.671 1.00 1.00 C ATOM 494 CG TYR A 35 52.635 -11.113 5.923 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.981 -10.347 7.043 1.00 1.00 C ATOM 496 CD2 TYR A 35 52.752 -12.508 5.965 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.444 -10.976 8.205 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.215 -13.136 7.128 1.00 1.00 C ATOM 499 CZ TYR A 35 53.561 -12.371 8.248 1.00 1.00 C ATOM 500 OH TYR A 35 54.017 -12.990 9.392 1.00 1.00 O ATOM 0 H TYR A 35 50.522 -11.567 3.160 1.00 1.00 H new ATOM 0 HA TYR A 35 50.257 -10.673 5.698 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.372 -11.040 3.796 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.636 -9.475 4.540 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.891 -9.271 7.010 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.485 -13.099 5.101 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.711 -10.385 9.069 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.305 -14.212 7.161 1.00 1.00 H new ATOM 0 HH TYR A 35 54.037 -13.960 9.253 1.00 1.00 H new ATOM 510 N MET A 36 50.044 -8.176 3.613 1.00 1.00 N ATOM 511 CA MET A 36 49.732 -6.756 3.506 1.00 1.00 C ATOM 512 C MET A 36 48.317 -6.478 4.001 1.00 1.00 C ATOM 513 O MET A 36 48.092 -5.552 4.780 1.00 1.00 O ATOM 514 CB MET A 36 49.865 -6.301 2.052 1.00 1.00 C ATOM 515 CG MET A 36 50.923 -7.151 1.345 1.00 1.00 C ATOM 516 SD MET A 36 52.378 -7.309 2.410 1.00 1.00 S ATOM 517 CE MET A 36 53.412 -6.089 1.564 1.00 1.00 C ATOM 0 H MET A 36 50.037 -8.681 2.727 1.00 1.00 H new ATOM 0 HA MET A 36 50.436 -6.201 4.126 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.907 -6.396 1.541 1.00 1.00 H new ATOM 0 HB3 MET A 36 50.144 -5.248 2.014 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.519 -8.137 1.114 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.201 -6.691 0.397 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.378 -6.022 2.064 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.560 -6.393 0.528 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.922 -5.116 1.590 1.00 1.00 H new ATOM 527 N LEU A 37 47.366 -7.287 3.543 1.00 1.00 N ATOM 528 CA LEU A 37 45.975 -7.118 3.947 1.00 1.00 C ATOM 529 C LEU A 37 45.852 -7.130 5.467 1.00 1.00 C ATOM 530 O LEU A 37 44.781 -6.861 6.014 1.00 1.00 O ATOM 531 CB LEU A 37 45.120 -8.240 3.355 1.00 1.00 C ATOM 532 CG LEU A 37 44.700 -7.866 1.934 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.517 -9.138 1.104 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.379 -7.094 1.979 1.00 1.00 C ATOM 0 H LEU A 37 47.531 -8.059 2.898 1.00 1.00 H new ATOM 0 HA LEU A 37 45.622 -6.156 3.574 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.682 -9.174 3.345 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.238 -8.405 3.974 1.00 1.00 H new ATOM 0 HG LEU A 37 45.471 -7.243 1.480 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.217 -8.871 0.091 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.457 -9.689 1.071 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.746 -9.761 1.558 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.079 -6.827 0.966 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.609 -7.717 2.433 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.507 -6.187 2.570 1.00 1.00 H new ATOM 546 N VAL A 38 46.956 -7.443 6.141 1.00 1.00 N ATOM 547 CA VAL A 38 46.971 -7.490 7.601 1.00 1.00 C ATOM 548 C VAL A 38 47.979 -6.490 8.157 1.00 1.00 C ATOM 549 O VAL A 38 47.650 -5.680 9.024 1.00 1.00 O ATOM 550 CB VAL A 38 47.334 -8.898 8.074 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.632 -9.189 9.400 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.885 -9.919 7.026 1.00 1.00 C ATOM 0 H VAL A 38 47.849 -7.667 5.702 1.00 1.00 H new ATOM 0 HA VAL A 38 45.977 -7.229 7.965 1.00 1.00 H new ATOM 0 HB VAL A 38 48.413 -8.967 8.212 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.891 -10.193 9.736 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.950 -8.462 10.147 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.553 -9.120 9.263 1.00 1.00 H new ATOM 0 HG21 VAL A 38 47.143 -10.923 7.362 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.806 -9.849 6.888 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.385 -9.713 6.080 1.00 1.00 H new ATOM 562 N PHE A 39 49.206 -6.553 7.653 1.00 1.00 N ATOM 563 CA PHE A 39 50.256 -5.647 8.107 1.00 1.00 C ATOM 564 C PHE A 39 49.739 -4.213 8.168 1.00 1.00 C ATOM 565 O PHE A 39 50.342 -3.352 8.809 1.00 1.00 O ATOM 566 CB PHE A 39 51.454 -5.720 7.159 1.00 1.00 C ATOM 567 CG PHE A 39 52.574 -4.860 7.695 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.316 -5.289 8.803 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.870 -3.635 7.086 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.353 -4.492 9.301 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.908 -2.839 7.584 1.00 1.00 C ATOM 572 CZ PHE A 39 54.650 -3.267 8.691 1.00 1.00 C ATOM 0 H PHE A 39 49.498 -7.216 6.935 1.00 1.00 H new ATOM 0 HA PHE A 39 50.565 -5.952 9.107 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.790 -6.752 7.059 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.165 -5.381 6.164 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.088 -6.234 9.273 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.298 -3.304 6.232 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.924 -4.822 10.156 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.137 -1.894 7.114 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.451 -2.653 9.075 1.00 1.00 H new ATOM 582 N LEU A 40 48.618 -3.965 7.498 1.00 1.00 N ATOM 583 CA LEU A 40 48.027 -2.632 7.482 1.00 1.00 C ATOM 584 C LEU A 40 46.514 -2.715 7.665 1.00 1.00 C ATOM 585 O LEU A 40 45.752 -2.166 6.871 1.00 1.00 O ATOM 586 CB LEU A 40 48.345 -1.934 6.159 1.00 1.00 C ATOM 587 CG LEU A 40 49.788 -1.427 6.182 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.357 -1.438 4.763 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.815 0.002 6.731 1.00 1.00 C ATOM 0 H LEU A 40 48.104 -4.664 6.963 1.00 1.00 H new ATOM 0 HA LEU A 40 48.451 -2.058 8.306 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.205 -2.625 5.328 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.659 -1.102 6.001 1.00 1.00 H new ATOM 0 HG LEU A 40 50.391 -2.075 6.819 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.385 -1.077 4.780 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.336 -2.455 4.371 1.00 1.00 H new ATOM 0 HD13 LEU A 40 49.756 -0.791 4.125 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.842 0.366 6.748 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.212 0.648 6.093 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.410 0.011 7.743 1.00 1.00 H new ATOM 601 N LEU A 41 46.088 -3.406 8.717 1.00 1.00 N ATOM 602 CA LEU A 41 44.665 -3.556 8.995 1.00 1.00 C ATOM 603 C LEU A 41 44.458 -4.168 10.377 1.00 1.00 C ATOM 604 O LEU A 41 43.825 -3.565 11.244 1.00 1.00 O ATOM 605 CB LEU A 41 44.020 -4.447 7.924 1.00 1.00 C ATOM 606 CG LEU A 41 42.582 -4.807 8.320 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.810 -3.541 8.698 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.888 -5.485 7.136 1.00 1.00 C ATOM 0 H LEU A 41 46.703 -3.868 9.387 1.00 1.00 H new ATOM 0 HA LEU A 41 44.195 -2.573 8.975 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.021 -3.931 6.964 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.607 -5.357 7.797 1.00 1.00 H new ATOM 0 HG LEU A 41 42.605 -5.482 9.176 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.790 -3.806 8.978 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.302 -3.053 9.539 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.787 -2.861 7.847 1.00 1.00 H new ATOM 0 HD21 LEU A 41 40.866 -5.743 7.412 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.873 -4.804 6.285 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.430 -6.391 6.867 1.00 1.00 H new ATOM 620 N GLY A 42 44.995 -5.367 10.574 1.00 1.00 N ATOM 621 CA GLY A 42 44.864 -6.051 11.856 1.00 1.00 C ATOM 622 C GLY A 42 46.104 -5.838 12.717 1.00 1.00 C ATOM 623 O GLY A 42 46.576 -6.761 13.379 1.00 1.00 O ATOM 0 H GLY A 42 45.521 -5.883 9.869 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.984 -5.681 12.382 1.00 1.00 H new ATOM 0 HA3 GLY A 42 44.711 -7.117 11.690 1.00 1.00 H new ATOM 627 N THR A 43 46.625 -4.616 12.704 1.00 1.00 N ATOM 628 CA THR A 43 47.810 -4.293 13.489 1.00 1.00 C ATOM 629 C THR A 43 48.077 -2.792 13.464 1.00 1.00 C ATOM 630 O THR A 43 48.720 -2.251 14.364 1.00 1.00 O ATOM 631 CB THR A 43 49.026 -5.039 12.933 1.00 1.00 C ATOM 632 OG1 THR A 43 49.991 -5.199 13.962 1.00 1.00 O ATOM 633 CG2 THR A 43 49.633 -4.239 11.779 1.00 1.00 C ATOM 0 H THR A 43 46.248 -3.838 12.163 1.00 1.00 H new ATOM 0 HA THR A 43 47.635 -4.602 14.519 1.00 1.00 H new ATOM 0 HB THR A 43 48.718 -6.019 12.569 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.770 -5.678 13.609 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.499 -4.770 11.384 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.890 -4.117 10.990 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.943 -3.258 12.140 1.00 1.00 H new ATOM 641 N THR A 44 47.577 -2.123 12.429 1.00 1.00 N ATOM 642 CA THR A 44 47.768 -0.683 12.298 1.00 1.00 C ATOM 643 C THR A 44 47.592 0.006 13.647 1.00 1.00 C ATOM 644 O THR A 44 48.293 0.967 13.960 1.00 1.00 O ATOM 645 CB THR A 44 46.762 -0.113 11.295 1.00 1.00 C ATOM 646 OG1 THR A 44 46.439 1.221 11.660 1.00 1.00 O ATOM 647 CG2 THR A 44 45.494 -0.967 11.299 1.00 1.00 C ATOM 0 H THR A 44 47.041 -2.551 11.674 1.00 1.00 H new ATOM 0 HA THR A 44 48.781 -0.500 11.940 1.00 1.00 H new ATOM 0 HB THR A 44 47.198 -0.122 10.296 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.796 1.589 11.018 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.779 -0.560 10.584 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.744 -1.990 11.019 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.054 -0.961 12.296 1.00 1.00 H new ATOM 655 N GLY A 45 46.651 -0.493 14.442 1.00 1.00 N ATOM 656 CA GLY A 45 46.390 0.083 15.756 1.00 1.00 C ATOM 657 C GLY A 45 45.627 -0.897 16.639 1.00 1.00 C ATOM 658 O GLY A 45 45.359 -0.617 17.807 1.00 1.00 O ATOM 0 H GLY A 45 46.060 -1.289 14.202 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.333 0.351 16.234 1.00 1.00 H new ATOM 0 HA3 GLY A 45 45.816 1.003 15.646 1.00 1.00 H new ATOM 662 N ASN A 46 45.278 -2.048 16.072 1.00 1.00 N ATOM 663 CA ASN A 46 44.545 -3.065 16.818 1.00 1.00 C ATOM 664 C ASN A 46 45.484 -4.178 17.273 1.00 1.00 C ATOM 665 O ASN A 46 45.042 -5.279 17.602 1.00 1.00 O ATOM 666 CB ASN A 46 43.436 -3.654 15.945 1.00 1.00 C ATOM 667 CG ASN A 46 44.040 -4.310 14.708 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.316 -5.510 14.712 1.00 1.00 O ATOM 669 ND2 ASN A 46 44.263 -3.590 13.641 1.00 1.00 N ATOM 0 H ASN A 46 45.489 -2.299 15.106 1.00 1.00 H new ATOM 0 HA ASN A 46 44.104 -2.596 17.698 1.00 1.00 H new ATOM 0 HB2 ASN A 46 42.865 -4.388 16.514 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.740 -2.869 15.648 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.666 -4.022 12.810 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.034 -2.596 13.639 1.00 1.00 H new ATOM 676 N GLY A 47 46.780 -3.884 17.288 1.00 1.00 N ATOM 677 CA GLY A 47 47.772 -4.867 17.704 1.00 1.00 C ATOM 678 C GLY A 47 48.832 -4.230 18.597 1.00 1.00 C ATOM 679 O GLY A 47 49.796 -4.883 18.994 1.00 1.00 O ATOM 0 H GLY A 47 47.165 -2.979 17.019 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.281 -5.680 18.239 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.246 -5.304 16.826 1.00 1.00 H new ATOM 683 N LEU A 48 48.645 -2.952 18.909 1.00 1.00 N ATOM 684 CA LEU A 48 49.593 -2.237 19.756 1.00 1.00 C ATOM 685 C LEU A 48 48.994 -0.919 20.237 1.00 1.00 C ATOM 686 O LEU A 48 49.577 0.148 20.040 1.00 1.00 O ATOM 687 CB LEU A 48 50.882 -1.961 18.981 1.00 1.00 C ATOM 688 CG LEU A 48 50.541 -1.317 17.636 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.325 -0.012 17.481 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.919 -2.274 16.503 1.00 1.00 C ATOM 0 H LEU A 48 47.853 -2.394 18.591 1.00 1.00 H new ATOM 0 HA LEU A 48 49.817 -2.859 20.623 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.531 -1.302 19.557 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.430 -2.890 18.823 1.00 1.00 H new ATOM 0 HG LEU A 48 49.472 -1.106 17.595 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.082 0.447 16.523 1.00 1.00 H new ATOM 0 HD12 LEU A 48 51.059 0.671 18.288 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.394 -0.223 17.522 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.676 -1.816 15.544 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.988 -2.484 16.545 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.362 -3.205 16.612 1.00 1.00 H new ATOM 702 N VAL A 49 47.827 -1.000 20.868 1.00 1.00 N ATOM 703 CA VAL A 49 47.159 0.195 21.373 1.00 1.00 C ATOM 704 C VAL A 49 46.482 -0.095 22.709 1.00 1.00 C ATOM 705 O VAL A 49 46.855 0.464 23.740 1.00 1.00 O ATOM 706 CB VAL A 49 46.115 0.675 20.363 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.305 1.821 20.973 1.00 1.00 C ATOM 708 CG2 VAL A 49 46.820 1.167 19.097 1.00 1.00 C ATOM 0 H VAL A 49 47.328 -1.872 21.041 1.00 1.00 H new ATOM 0 HA VAL A 49 47.908 0.974 21.519 1.00 1.00 H new ATOM 0 HB VAL A 49 45.447 -0.149 20.111 1.00 1.00 H new ATOM 0 HG11 VAL A 49 44.561 2.164 20.254 1.00 1.00 H new ATOM 0 HG12 VAL A 49 44.804 1.472 21.876 1.00 1.00 H new ATOM 0 HG13 VAL A 49 45.973 2.645 21.225 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.077 1.509 18.377 1.00 1.00 H new ATOM 0 HG22 VAL A 49 47.488 1.991 19.349 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.398 0.352 18.662 1.00 1.00 H new ATOM 718 N LEU A 50 45.485 -0.974 22.684 1.00 1.00 N ATOM 719 CA LEU A 50 44.763 -1.331 23.899 1.00 1.00 C ATOM 720 C LEU A 50 45.307 -2.631 24.483 1.00 1.00 C ATOM 721 O LEU A 50 45.213 -2.869 25.688 1.00 1.00 O ATOM 722 CB LEU A 50 43.273 -1.490 23.595 1.00 1.00 C ATOM 723 CG LEU A 50 43.078 -2.591 22.552 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.429 -3.810 23.209 1.00 1.00 C ATOM 725 CD2 LEU A 50 42.173 -2.075 21.430 1.00 1.00 C ATOM 0 H LEU A 50 45.161 -1.449 21.842 1.00 1.00 H new ATOM 0 HA LEU A 50 44.901 -0.533 24.628 1.00 1.00 H new ATOM 0 HB2 LEU A 50 42.730 -1.738 24.507 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.864 -0.549 23.227 1.00 1.00 H new ATOM 0 HG LEU A 50 44.046 -2.874 22.139 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.291 -4.594 22.465 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.072 -4.178 24.008 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.461 -3.528 23.623 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.033 -2.859 20.686 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.206 -1.791 21.844 1.00 1.00 H new ATOM 0 HD23 LEU A 50 42.635 -1.207 20.960 1.00 1.00 H new ATOM 737 N TRP A 51 45.875 -3.469 23.622 1.00 1.00 N ATOM 738 CA TRP A 51 46.430 -4.743 24.065 1.00 1.00 C ATOM 739 C TRP A 51 47.811 -4.541 24.681 1.00 1.00 C ATOM 740 O TRP A 51 48.333 -5.425 25.360 1.00 1.00 O ATOM 741 CB TRP A 51 46.533 -5.706 22.881 1.00 1.00 C ATOM 742 CG TRP A 51 47.916 -6.272 22.819 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.954 -5.714 22.156 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.427 -7.493 23.430 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.072 -6.514 22.320 1.00 1.00 N ATOM 746 CE2 TRP A 51 49.797 -7.622 23.098 1.00 1.00 C ATOM 747 CE3 TRP A 51 47.842 -8.489 24.231 1.00 1.00 C ATOM 748 CZ2 TRP A 51 50.559 -8.702 23.546 1.00 1.00 C ATOM 749 CZ3 TRP A 51 48.607 -9.578 24.684 1.00 1.00 C ATOM 750 CH2 TRP A 51 49.962 -9.683 24.341 1.00 1.00 C ATOM 0 H TRP A 51 45.963 -3.291 22.621 1.00 1.00 H new ATOM 0 HA TRP A 51 45.767 -5.165 24.820 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.804 -6.509 22.987 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.300 -5.185 21.953 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.917 -4.794 21.591 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.986 -6.310 21.916 1.00 1.00 H new ATOM 0 HE3 TRP A 51 46.799 -8.417 24.500 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 51.603 -8.779 23.280 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 48.148 -10.338 25.300 1.00 1.00 H new ATOM 0 HH2 TRP A 51 50.544 -10.522 24.691 1.00 1.00 H new ATOM 761 N THR A 52 48.395 -3.371 24.440 1.00 1.00 N ATOM 762 CA THR A 52 49.716 -3.064 24.977 1.00 1.00 C ATOM 763 C THR A 52 49.613 -2.630 26.435 1.00 1.00 C ATOM 764 O THR A 52 50.595 -2.676 27.177 1.00 1.00 O ATOM 765 CB THR A 52 50.367 -1.950 24.155 1.00 1.00 C ATOM 766 OG1 THR A 52 51.705 -1.762 24.594 1.00 1.00 O ATOM 767 CG2 THR A 52 49.580 -0.652 24.337 1.00 1.00 C ATOM 0 H THR A 52 47.979 -2.626 23.881 1.00 1.00 H new ATOM 0 HA THR A 52 50.330 -3.963 24.920 1.00 1.00 H new ATOM 0 HB THR A 52 50.365 -2.227 23.101 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.125 -1.050 24.068 1.00 1.00 H new ATOM 0 HG21 THR A 52 50.045 0.141 23.751 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.554 -0.798 24.000 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.579 -0.372 25.390 1.00 1.00 H new ATOM 775 N VAL A 53 48.420 -2.209 26.840 1.00 1.00 N ATOM 776 CA VAL A 53 48.201 -1.770 28.213 1.00 1.00 C ATOM 777 C VAL A 53 48.360 -2.937 29.182 1.00 1.00 C ATOM 778 O VAL A 53 49.259 -2.940 30.023 1.00 1.00 O ATOM 779 CB VAL A 53 46.799 -1.174 28.354 1.00 1.00 C ATOM 780 CG1 VAL A 53 46.501 -0.914 29.831 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.726 0.144 27.581 1.00 1.00 C ATOM 0 H VAL A 53 47.595 -2.162 26.242 1.00 1.00 H new ATOM 0 HA VAL A 53 48.944 -1.010 28.454 1.00 1.00 H new ATOM 0 HB VAL A 53 46.065 -1.873 27.953 1.00 1.00 H new ATOM 0 HG11 VAL A 53 45.502 -0.489 29.931 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.554 -1.852 30.383 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.234 -0.215 30.233 1.00 1.00 H new ATOM 0 HG21 VAL A 53 45.727 0.569 27.681 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.460 0.843 27.983 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.939 -0.040 26.528 1.00 1.00 H new ATOM 791 N PHE A 54 47.481 -3.926 29.059 1.00 1.00 N ATOM 792 CA PHE A 54 47.533 -5.094 29.930 1.00 1.00 C ATOM 793 C PHE A 54 48.923 -5.721 29.903 1.00 1.00 C ATOM 794 O PHE A 54 49.273 -6.515 30.777 1.00 1.00 O ATOM 795 CB PHE A 54 46.496 -6.126 29.481 1.00 1.00 C ATOM 796 CG PHE A 54 47.147 -7.485 29.381 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.880 -7.827 28.238 1.00 1.00 C ATOM 798 CD2 PHE A 54 47.020 -8.402 30.431 1.00 1.00 C ATOM 799 CE1 PHE A 54 48.484 -9.086 28.145 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.625 -9.661 30.338 1.00 1.00 C ATOM 801 CZ PHE A 54 48.356 -10.003 29.195 1.00 1.00 C ATOM 0 H PHE A 54 46.729 -3.943 28.370 1.00 1.00 H new ATOM 0 HA PHE A 54 47.311 -4.775 30.948 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.669 -6.159 30.191 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.077 -5.840 28.516 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.979 -7.119 27.428 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.455 -8.138 31.313 1.00 1.00 H new ATOM 0 HE1 PHE A 54 49.049 -9.350 27.263 1.00 1.00 H new ATOM 0 HE2 PHE A 54 47.528 -10.368 31.148 1.00 1.00 H new ATOM 0 HZ PHE A 54 48.822 -10.975 29.123 1.00 1.00 H new ATOM 811 N ARG A 55 49.711 -5.360 28.896 1.00 1.00 N ATOM 812 CA ARG A 55 51.062 -5.895 28.765 1.00 1.00 C ATOM 813 C ARG A 55 52.041 -5.087 29.610 1.00 1.00 C ATOM 814 O ARG A 55 52.867 -5.651 30.329 1.00 1.00 O ATOM 815 CB ARG A 55 51.497 -5.861 27.300 1.00 1.00 C ATOM 816 CG ARG A 55 52.898 -6.462 27.169 1.00 1.00 C ATOM 817 CD ARG A 55 52.889 -7.550 26.095 1.00 1.00 C ATOM 818 NE ARG A 55 54.246 -8.019 25.838 1.00 1.00 N ATOM 819 CZ ARG A 55 54.470 -9.117 25.123 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.467 -9.796 24.638 1.00 1.00 N ATOM 821 NH2 ARG A 55 55.693 -9.516 24.907 1.00 1.00 N ATOM 0 H ARG A 55 49.441 -4.704 28.163 1.00 1.00 H new ATOM 0 HA ARG A 55 51.061 -6.926 29.118 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.791 -6.421 26.687 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.494 -4.835 26.933 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.616 -5.684 26.908 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.216 -6.881 28.124 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.264 -8.383 26.417 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.452 -7.160 25.176 1.00 1.00 H new ATOM 0 HE ARG A 55 55.037 -7.495 26.213 1.00 1.00 H new ATOM 0 HH11 ARG A 55 52.511 -9.484 24.807 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.639 -10.638 24.089 1.00 1.00 H new ATOM 0 HH21 ARG A 55 56.477 -8.986 25.287 1.00 1.00 H new ATOM 0 HH22 ARG A 55 55.865 -10.358 24.358 1.00 1.00 H new ATOM 835 N LYS A 56 51.945 -3.765 29.517 1.00 1.00 N ATOM 836 CA LYS A 56 52.829 -2.890 30.277 1.00 1.00 C ATOM 837 C LYS A 56 52.894 -3.329 31.737 1.00 1.00 C ATOM 838 O LYS A 56 53.898 -3.114 32.415 1.00 1.00 O ATOM 839 CB LYS A 56 52.327 -1.447 30.198 1.00 1.00 C ATOM 840 CG LYS A 56 52.774 -0.823 28.874 1.00 1.00 C ATOM 841 CD LYS A 56 52.255 0.613 28.783 1.00 1.00 C ATOM 842 CE LYS A 56 51.588 0.830 27.424 1.00 1.00 C ATOM 843 NZ LYS A 56 52.544 0.471 26.339 1.00 1.00 N ATOM 0 H LYS A 56 51.269 -3.279 28.927 1.00 1.00 H new ATOM 0 HA LYS A 56 53.829 -2.952 29.847 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.240 -1.424 30.274 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.718 -0.868 31.035 1.00 1.00 H new ATOM 0 HG2 LYS A 56 53.862 -0.832 28.805 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.396 -1.411 28.037 1.00 1.00 H new ATOM 0 HD2 LYS A 56 51.542 0.804 29.585 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.077 1.317 28.913 1.00 1.00 H new ATOM 0 HE2 LYS A 56 50.688 0.220 27.347 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.278 1.870 27.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.547 1.220 25.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.499 0.370 26.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 52.254 -0.428 25.904 1.00 1.00 H new ATOM 857 N LYS A 57 51.816 -3.944 32.212 1.00 1.00 N ATOM 858 CA LYS A 57 51.761 -4.409 33.594 1.00 1.00 C ATOM 859 C LYS A 57 52.940 -5.329 33.896 1.00 1.00 C ATOM 860 O LYS A 57 53.228 -5.624 35.055 1.00 1.00 O ATOM 861 CB LYS A 57 50.450 -5.157 33.841 1.00 1.00 C ATOM 862 CG LYS A 57 49.277 -4.308 33.351 1.00 1.00 C ATOM 863 CD LYS A 57 47.960 -5.014 33.681 1.00 1.00 C ATOM 864 CE LYS A 57 46.803 -4.022 33.554 1.00 1.00 C ATOM 865 NZ LYS A 57 45.546 -4.763 33.249 1.00 1.00 N ATOM 0 H LYS A 57 50.975 -4.131 31.666 1.00 1.00 H new ATOM 0 HA LYS A 57 51.813 -3.542 34.253 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.462 -6.115 33.320 1.00 1.00 H new ATOM 0 HB3 LYS A 57 50.337 -5.373 34.903 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.303 -3.326 33.823 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.356 -4.147 32.276 1.00 1.00 H new ATOM 0 HD2 LYS A 57 47.807 -5.856 33.005 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.996 -5.419 34.692 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.690 -3.458 34.480 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.013 -3.300 32.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.758 -4.089 33.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.657 -5.282 32.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.344 -5.435 34.017 1.00 1.00 H new ATOM 879 N GLY A 58 53.616 -5.780 32.844 1.00 1.00 N ATOM 880 CA GLY A 58 54.762 -6.667 33.008 1.00 1.00 C ATOM 881 C GLY A 58 54.951 -7.548 31.778 1.00 1.00 C ATOM 882 O GLY A 58 54.397 -8.644 31.697 1.00 1.00 O ATOM 0 H GLY A 58 53.392 -5.548 31.876 1.00 1.00 H new ATOM 0 HA2 GLY A 58 55.662 -6.076 33.179 1.00 1.00 H new ATOM 0 HA3 GLY A 58 54.619 -7.292 33.889 1.00 1.00 H new ATOM 886 N HIS A 59 55.736 -7.060 30.823 1.00 1.00 N ATOM 887 CA HIS A 59 55.990 -7.812 29.600 1.00 1.00 C ATOM 888 C HIS A 59 56.591 -9.176 29.924 1.00 1.00 C ATOM 889 O HIS A 59 56.491 -10.113 29.133 1.00 1.00 O ATOM 890 CB HIS A 59 56.948 -7.031 28.696 1.00 1.00 C ATOM 891 CG HIS A 59 58.199 -7.837 28.478 1.00 1.00 C ATOM 892 ND1 HIS A 59 59.233 -8.171 29.317 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 58.503 -8.413 27.255 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 60.165 -8.942 28.628 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 59.677 -9.057 27.390 1.00 1.00 N flip ATOM 0 H HIS A 59 56.204 -6.155 30.871 1.00 1.00 H new ATOM 0 HA HIS A 59 55.042 -7.960 29.083 1.00 1.00 H new ATOM 0 HB2 HIS A 59 56.470 -6.816 27.740 1.00 1.00 H new ATOM 0 HB3 HIS A 59 57.195 -6.072 29.152 1.00 1.00 H new ATOM 0 HD2 HIS A 59 57.906 -8.356 26.357 1.00 1.00 H new ATOM 0 HE1 HIS A 59 61.085 -9.358 29.012 1.00 1.00 H new ATOM 0 HE2 HIS A 59 60.138 -9.570 26.639 1.00 1.00 H new ATOM 903 N HIS A 60 57.216 -9.279 31.092 1.00 1.00 N ATOM 904 CA HIS A 60 57.829 -10.534 31.511 1.00 1.00 C ATOM 905 C HIS A 60 56.844 -11.368 32.323 1.00 1.00 C ATOM 906 O HIS A 60 56.814 -12.593 32.213 1.00 1.00 O ATOM 907 CB HIS A 60 59.075 -10.251 32.352 1.00 1.00 C ATOM 908 CG HIS A 60 58.735 -9.265 33.436 1.00 1.00 C ATOM 909 ND1 HIS A 60 57.911 -9.591 34.502 1.00 1.00 N ATOM 910 CD2 HIS A 60 59.099 -7.956 33.633 1.00 1.00 C ATOM 911 CE1 HIS A 60 57.808 -8.502 35.284 1.00 1.00 C ATOM 912 NE2 HIS A 60 58.513 -7.476 34.801 1.00 1.00 N ATOM 0 H HIS A 60 57.311 -8.515 31.761 1.00 1.00 H new ATOM 0 HA HIS A 60 58.111 -11.093 30.619 1.00 1.00 H new ATOM 0 HB2 HIS A 60 59.448 -11.176 32.791 1.00 1.00 H new ATOM 0 HB3 HIS A 60 59.870 -9.854 31.721 1.00 1.00 H new ATOM 0 HD2 HIS A 60 59.743 -7.385 32.980 1.00 1.00 H new ATOM 0 HE1 HIS A 60 57.226 -8.462 36.193 1.00 1.00 H new ATOM 0 HE2 HIS A 60 58.603 -6.542 35.201 1.00 1.00 H new ATOM 920 N HIS A 61 56.038 -10.695 33.139 1.00 1.00 N ATOM 921 CA HIS A 61 55.054 -11.385 33.966 1.00 1.00 C ATOM 922 C HIS A 61 53.734 -11.532 33.216 1.00 1.00 C ATOM 923 O HIS A 61 52.660 -11.345 33.788 1.00 1.00 O ATOM 924 CB HIS A 61 54.823 -10.606 35.262 1.00 1.00 C ATOM 925 CG HIS A 61 53.983 -11.430 36.199 1.00 1.00 C ATOM 926 ND1 HIS A 61 52.926 -10.890 36.914 1.00 1.00 N ATOM 927 CD2 HIS A 61 54.033 -12.757 36.550 1.00 1.00 C ATOM 928 CE1 HIS A 61 52.387 -11.878 37.651 1.00 1.00 C ATOM 929 NE2 HIS A 61 53.025 -13.037 37.467 1.00 1.00 N ATOM 0 H HIS A 61 56.046 -9.681 33.245 1.00 1.00 H new ATOM 0 HA HIS A 61 55.437 -12.378 34.203 1.00 1.00 H new ATOM 0 HB2 HIS A 61 55.778 -10.365 35.729 1.00 1.00 H new ATOM 0 HB3 HIS A 61 54.326 -9.660 35.047 1.00 1.00 H new ATOM 0 HD2 HIS A 61 54.746 -13.474 36.172 1.00 1.00 H new ATOM 0 HE1 HIS A 61 51.542 -11.750 38.311 1.00 1.00 H new ATOM 0 HE2 HIS A 61 52.818 -13.935 37.905 1.00 1.00 H new ATOM 937 N HIS A 62 53.822 -11.870 31.934 1.00 1.00 N ATOM 938 CA HIS A 62 52.627 -12.040 31.115 1.00 1.00 C ATOM 939 C HIS A 62 51.690 -13.069 31.741 1.00 1.00 C ATOM 940 O HIS A 62 50.576 -13.280 31.263 1.00 1.00 O ATOM 941 CB HIS A 62 53.019 -12.495 29.708 1.00 1.00 C ATOM 942 CG HIS A 62 51.839 -12.344 28.786 1.00 1.00 C ATOM 943 ND1 HIS A 62 50.885 -13.339 28.639 1.00 1.00 N ATOM 944 CD2 HIS A 62 51.446 -11.322 27.958 1.00 1.00 C ATOM 945 CE1 HIS A 62 49.973 -12.899 27.753 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.268 -11.675 27.306 1.00 1.00 N ATOM 0 H HIS A 62 54.701 -12.031 31.442 1.00 1.00 H new ATOM 0 HA HIS A 62 52.110 -11.082 31.057 1.00 1.00 H new ATOM 0 HB2 HIS A 62 53.858 -11.902 29.343 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.348 -13.534 29.728 1.00 1.00 H new ATOM 0 HD2 HIS A 62 51.971 -10.387 27.832 1.00 1.00 H new ATOM 0 HE1 HIS A 62 49.108 -13.466 27.441 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.743 -11.119 26.632 1.00 1.00 H new ATOM 954 N HIS A 63 52.151 -13.705 32.813 1.00 1.00 N ATOM 955 CA HIS A 63 51.345 -14.710 33.497 1.00 1.00 C ATOM 956 C HIS A 63 50.651 -15.618 32.488 1.00 1.00 C ATOM 957 O HIS A 63 49.460 -15.464 32.216 1.00 1.00 O ATOM 958 CB HIS A 63 50.296 -14.027 34.379 1.00 1.00 C ATOM 959 CG HIS A 63 49.670 -15.044 35.292 1.00 1.00 C ATOM 960 ND1 HIS A 63 48.297 -15.211 35.383 1.00 1.00 N ATOM 961 CD2 HIS A 63 50.216 -15.956 36.162 1.00 1.00 C ATOM 962 CE1 HIS A 63 48.065 -16.188 36.278 1.00 1.00 C ATOM 963 NE2 HIS A 63 49.201 -16.676 36.784 1.00 1.00 N ATOM 0 H HIS A 63 53.071 -13.544 33.224 1.00 1.00 H new ATOM 0 HA HIS A 63 52.004 -15.315 34.119 1.00 1.00 H new ATOM 0 HB2 HIS A 63 50.759 -13.233 34.965 1.00 1.00 H new ATOM 0 HB3 HIS A 63 49.531 -13.560 33.758 1.00 1.00 H new ATOM 0 HD2 HIS A 63 51.273 -16.093 36.337 1.00 1.00 H new ATOM 0 HE1 HIS A 63 47.080 -16.536 36.554 1.00 1.00 H new ATOM 0 HE2 HIS A 63 49.302 -17.417 37.477 1.00 1.00 H new ATOM 971 N HIS A 64 51.403 -16.564 31.936 1.00 1.00 N ATOM 972 CA HIS A 64 50.849 -17.492 30.957 1.00 1.00 C ATOM 973 C HIS A 64 49.815 -18.405 31.609 1.00 1.00 C ATOM 974 O HIS A 64 49.236 -19.212 30.900 1.00 1.00 O ATOM 975 CB HIS A 64 51.969 -18.339 30.348 1.00 1.00 C ATOM 976 CG HIS A 64 52.170 -19.577 31.179 1.00 1.00 C ATOM 977 ND1 HIS A 64 51.517 -20.767 30.902 1.00 1.00 N ATOM 978 CD2 HIS A 64 52.948 -19.824 32.283 1.00 1.00 C ATOM 979 CE1 HIS A 64 51.910 -21.669 31.820 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.782 -21.146 32.686 1.00 1.00 N ATOM 981 OXT HIS A 64 49.619 -18.283 32.806 1.00 1.00 O ATOM 0 H HIS A 64 52.390 -16.708 32.148 1.00 1.00 H new ATOM 0 HA HIS A 64 50.362 -16.914 30.171 1.00 1.00 H new ATOM 0 HB2 HIS A 64 51.716 -18.613 29.324 1.00 1.00 H new ATOM 0 HB3 HIS A 64 52.893 -17.763 30.305 1.00 1.00 H new ATOM 0 HD2 HIS A 64 53.591 -19.103 32.765 1.00 1.00 H new ATOM 0 HE1 HIS A 64 51.563 -22.691 31.853 1.00 1.00 H new ATOM 0 HE2 HIS A 64 53.230 -21.615 33.473 1.00 1.00 H new TER 989 HIS A 64