USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 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= 0.988 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -145:sc= 1.16 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.901 (180deg=-0.647) USER MOD Single : A 9 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.7!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.945 X(o=-0.94,f=-0.52) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.134 F(o=-2.2!,f=-0.13) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 65:sc= -0.877! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 4:sc= -1.43! USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.0344 (180deg=-0.314) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.454 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 -127:sc= 1.07 USER MOD Single : A 46 ASN :FLIP amide:sc= -6.63! C(o=-7.7!,f=-6.6!) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0143 (180deg=-0.211) USER MOD Single : A 59 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.44) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-11!) USER MOD Single : A 62 HIS :FLIP no HD1:sc= 0.132 F(o=-1.3!,f=0.13) USER MOD Single : A 63 HIS : no HD1:sc= 0.391 K(o=0.39,f=-2.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.032 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.357 -23.392 28.091 1.00 1.00 N ATOM 2 CA MET A 1 54.189 -22.758 29.428 1.00 1.00 C ATOM 3 C MET A 1 55.294 -21.730 29.644 1.00 1.00 C ATOM 4 O MET A 1 55.047 -20.635 30.150 1.00 1.00 O ATOM 5 CB MET A 1 54.258 -23.835 30.513 1.00 1.00 C ATOM 6 CG MET A 1 53.266 -24.953 30.187 1.00 1.00 C ATOM 7 SD MET A 1 54.130 -26.298 29.338 1.00 1.00 S ATOM 8 CE MET A 1 54.464 -27.310 30.800 1.00 1.00 C ATOM 0 H1 MET A 1 53.483 -23.275 27.539 1.00 1.00 H new ATOM 0 H2 MET A 1 55.147 -22.939 27.589 1.00 1.00 H new ATOM 0 H3 MET A 1 54.558 -24.405 28.210 1.00 1.00 H new ATOM 0 HA MET A 1 53.221 -22.259 29.480 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.269 -24.238 30.576 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.027 -23.401 31.486 1.00 1.00 H new ATOM 0 HG2 MET A 1 52.805 -25.323 31.103 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.462 -24.569 29.559 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.002 -28.211 30.504 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.070 -26.741 31.506 1.00 1.00 H new ATOM 0 HE3 MET A 1 53.522 -27.589 31.273 1.00 1.00 H new ATOM 20 N GLU A 2 56.514 -22.090 29.258 1.00 1.00 N ATOM 21 CA GLU A 2 57.650 -21.190 29.414 1.00 1.00 C ATOM 22 C GLU A 2 58.771 -21.570 28.451 1.00 1.00 C ATOM 23 O GLU A 2 59.301 -22.678 28.507 1.00 1.00 O ATOM 24 CB GLU A 2 58.169 -21.249 30.853 1.00 1.00 C ATOM 25 CG GLU A 2 57.808 -22.600 31.471 1.00 1.00 C ATOM 26 CD GLU A 2 58.520 -22.769 32.808 1.00 1.00 C ATOM 27 OE1 GLU A 2 58.696 -21.775 33.493 1.00 1.00 O ATOM 28 OE2 GLU A 2 58.879 -23.891 33.128 1.00 1.00 O ATOM 0 H GLU A 2 56.740 -22.992 28.838 1.00 1.00 H new ATOM 0 HA GLU A 2 57.320 -20.176 29.188 1.00 1.00 H new ATOM 0 HB2 GLU A 2 59.250 -21.108 30.867 1.00 1.00 H new ATOM 0 HB3 GLU A 2 57.734 -20.441 31.441 1.00 1.00 H new ATOM 0 HG2 GLU A 2 56.729 -22.668 31.613 1.00 1.00 H new ATOM 0 HG3 GLU A 2 58.092 -23.406 30.794 1.00 1.00 H new ATOM 35 N GLU A 3 59.125 -20.641 27.568 1.00 1.00 N ATOM 36 CA GLU A 3 60.183 -20.889 26.597 1.00 1.00 C ATOM 37 C GLU A 3 59.744 -21.938 25.580 1.00 1.00 C ATOM 38 O GLU A 3 59.691 -23.130 25.887 1.00 1.00 O ATOM 39 CB GLU A 3 61.447 -21.369 27.313 1.00 1.00 C ATOM 40 CG GLU A 3 62.683 -20.878 26.554 1.00 1.00 C ATOM 41 CD GLU A 3 62.628 -21.355 25.106 1.00 1.00 C ATOM 42 OE1 GLU A 3 61.938 -20.726 24.322 1.00 1.00 O ATOM 43 OE2 GLU A 3 63.277 -22.342 24.804 1.00 1.00 O ATOM 0 H GLU A 3 58.698 -19.717 27.505 1.00 1.00 H new ATOM 0 HA GLU A 3 60.393 -19.957 26.073 1.00 1.00 H new ATOM 0 HB2 GLU A 3 61.463 -20.994 28.336 1.00 1.00 H new ATOM 0 HB3 GLU A 3 61.453 -22.457 27.373 1.00 1.00 H new ATOM 0 HG2 GLU A 3 62.731 -19.790 26.586 1.00 1.00 H new ATOM 0 HG3 GLU A 3 63.587 -21.251 27.035 1.00 1.00 H new ATOM 50 N GLY A 4 59.428 -21.487 24.371 1.00 1.00 N ATOM 51 CA GLY A 4 58.994 -22.396 23.317 1.00 1.00 C ATOM 52 C GLY A 4 57.975 -21.724 22.403 1.00 1.00 C ATOM 53 O GLY A 4 57.911 -22.014 21.208 1.00 1.00 O ATOM 0 H GLY A 4 59.464 -20.505 24.098 1.00 1.00 H new ATOM 0 HA2 GLY A 4 59.855 -22.719 22.732 1.00 1.00 H new ATOM 0 HA3 GLY A 4 58.556 -23.290 23.760 1.00 1.00 H new ATOM 57 N GLY A 5 57.179 -20.826 22.974 1.00 1.00 N ATOM 58 CA GLY A 5 56.165 -20.118 22.200 1.00 1.00 C ATOM 59 C GLY A 5 55.091 -21.079 21.701 1.00 1.00 C ATOM 60 O GLY A 5 54.440 -21.762 22.490 1.00 1.00 O ATOM 0 H GLY A 5 57.215 -20.573 23.961 1.00 1.00 H new ATOM 0 HA2 GLY A 5 55.708 -19.343 22.815 1.00 1.00 H new ATOM 0 HA3 GLY A 5 56.633 -19.617 21.352 1.00 1.00 H new ATOM 64 N ASP A 6 54.913 -21.126 20.385 1.00 1.00 N ATOM 65 CA ASP A 6 53.914 -22.006 19.790 1.00 1.00 C ATOM 66 C ASP A 6 54.319 -22.397 18.372 1.00 1.00 C ATOM 67 O ASP A 6 55.132 -21.721 17.741 1.00 1.00 O ATOM 68 CB ASP A 6 52.552 -21.309 19.760 1.00 1.00 C ATOM 69 CG ASP A 6 51.435 -22.347 19.766 1.00 1.00 C ATOM 70 OD1 ASP A 6 51.631 -23.402 19.188 1.00 1.00 O ATOM 71 OD2 ASP A 6 50.399 -22.069 20.348 1.00 1.00 O ATOM 0 H ASP A 6 55.443 -20.570 19.714 1.00 1.00 H new ATOM 0 HA ASP A 6 53.846 -22.908 20.398 1.00 1.00 H new ATOM 0 HB2 ASP A 6 52.452 -20.650 20.623 1.00 1.00 H new ATOM 0 HB3 ASP A 6 52.474 -20.684 18.871 1.00 1.00 H new ATOM 76 N PHE A 7 53.747 -23.489 17.878 1.00 1.00 N ATOM 77 CA PHE A 7 54.056 -23.959 16.533 1.00 1.00 C ATOM 78 C PHE A 7 52.813 -24.546 15.871 1.00 1.00 C ATOM 79 O PHE A 7 52.715 -25.757 15.675 1.00 1.00 O ATOM 80 CB PHE A 7 55.155 -25.023 16.590 1.00 1.00 C ATOM 81 CG PHE A 7 56.440 -24.393 17.073 1.00 1.00 C ATOM 82 CD1 PHE A 7 57.179 -23.567 16.217 1.00 1.00 C ATOM 83 CD2 PHE A 7 56.892 -24.634 18.375 1.00 1.00 C ATOM 84 CE1 PHE A 7 58.370 -22.983 16.664 1.00 1.00 C ATOM 85 CE2 PHE A 7 58.083 -24.050 18.823 1.00 1.00 C ATOM 86 CZ PHE A 7 58.823 -23.225 17.967 1.00 1.00 C ATOM 0 H PHE A 7 53.072 -24.062 18.384 1.00 1.00 H new ATOM 0 HA PHE A 7 54.402 -23.110 15.943 1.00 1.00 H new ATOM 0 HB2 PHE A 7 54.860 -25.831 17.259 1.00 1.00 H new ATOM 0 HB3 PHE A 7 55.301 -25.463 15.604 1.00 1.00 H new ATOM 0 HD1 PHE A 7 56.830 -23.381 15.212 1.00 1.00 H new ATOM 0 HD2 PHE A 7 56.322 -25.271 19.035 1.00 1.00 H new ATOM 0 HE1 PHE A 7 58.940 -22.346 16.004 1.00 1.00 H new ATOM 0 HE2 PHE A 7 58.431 -24.236 19.828 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.743 -22.776 18.311 1.00 1.00 H new ATOM 96 N ASP A 8 51.866 -23.677 15.529 1.00 1.00 N ATOM 97 CA ASP A 8 50.632 -24.122 14.889 1.00 1.00 C ATOM 98 C ASP A 8 50.032 -23.000 14.048 1.00 1.00 C ATOM 99 O ASP A 8 48.895 -22.583 14.272 1.00 1.00 O ATOM 100 CB ASP A 8 49.623 -24.562 15.951 1.00 1.00 C ATOM 101 CG ASP A 8 50.025 -25.917 16.523 1.00 1.00 C ATOM 102 OD1 ASP A 8 50.857 -25.939 17.415 1.00 1.00 O ATOM 103 OD2 ASP A 8 49.495 -26.914 16.059 1.00 1.00 O ATOM 0 H ASP A 8 51.928 -22.670 15.682 1.00 1.00 H new ATOM 0 HA ASP A 8 50.864 -24.965 14.238 1.00 1.00 H new ATOM 0 HB2 ASP A 8 49.576 -23.821 16.749 1.00 1.00 H new ATOM 0 HB3 ASP A 8 48.626 -24.624 15.514 1.00 1.00 H new ATOM 108 N ASN A 9 50.803 -22.516 13.079 1.00 1.00 N ATOM 109 CA ASN A 9 50.335 -21.442 12.210 1.00 1.00 C ATOM 110 C ASN A 9 50.866 -21.632 10.792 1.00 1.00 C ATOM 111 O ASN A 9 51.360 -20.690 10.172 1.00 1.00 O ATOM 112 CB ASN A 9 50.801 -20.090 12.754 1.00 1.00 C ATOM 113 CG ASN A 9 49.984 -18.966 12.126 1.00 1.00 C ATOM 114 OD1 ASN A 9 48.797 -19.140 11.849 1.00 1.00 O ATOM 115 ND2 ASN A 9 50.552 -17.817 11.883 1.00 1.00 N ATOM 0 H ASN A 9 51.746 -22.847 12.877 1.00 1.00 H new ATOM 0 HA ASN A 9 49.246 -21.468 12.185 1.00 1.00 H new ATOM 0 HB2 ASN A 9 50.692 -20.068 13.838 1.00 1.00 H new ATOM 0 HB3 ASN A 9 51.859 -19.947 12.537 1.00 1.00 H new ATOM 0 HD21 ASN A 9 50.013 -17.060 11.463 1.00 1.00 H new ATOM 0 HD22 ASN A 9 51.535 -17.675 12.113 1.00 1.00 H new ATOM 122 N TYR A 10 50.759 -22.855 10.284 1.00 1.00 N ATOM 123 CA TYR A 10 51.231 -23.157 8.938 1.00 1.00 C ATOM 124 C TYR A 10 50.534 -22.267 7.914 1.00 1.00 C ATOM 125 O TYR A 10 49.594 -22.694 7.245 1.00 1.00 O ATOM 126 CB TYR A 10 50.962 -24.626 8.607 1.00 1.00 C ATOM 127 CG TYR A 10 51.802 -25.506 9.503 1.00 1.00 C ATOM 128 CD1 TYR A 10 53.141 -25.756 9.181 1.00 1.00 C ATOM 129 CD2 TYR A 10 51.240 -26.071 10.654 1.00 1.00 C ATOM 130 CE1 TYR A 10 53.920 -26.572 10.011 1.00 1.00 C ATOM 131 CE2 TYR A 10 52.019 -26.887 11.484 1.00 1.00 C ATOM 132 CZ TYR A 10 53.358 -27.137 11.163 1.00 1.00 C ATOM 133 OH TYR A 10 54.125 -27.941 11.980 1.00 1.00 O ATOM 0 H TYR A 10 50.353 -23.648 10.780 1.00 1.00 H new ATOM 0 HA TYR A 10 52.304 -22.967 8.898 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.905 -24.853 8.744 1.00 1.00 H new ATOM 0 HB3 TYR A 10 51.198 -24.823 7.561 1.00 1.00 H new ATOM 0 HD1 TYR A 10 53.573 -25.320 8.293 1.00 1.00 H new ATOM 0 HD2 TYR A 10 50.207 -25.878 10.902 1.00 1.00 H new ATOM 0 HE1 TYR A 10 54.953 -26.765 9.763 1.00 1.00 H new ATOM 0 HE2 TYR A 10 51.586 -27.323 12.372 1.00 1.00 H new ATOM 0 HH TYR A 10 53.584 -28.251 12.736 1.00 1.00 H new ATOM 143 N TYR A 11 51.003 -21.029 7.797 1.00 1.00 N ATOM 144 CA TYR A 11 50.415 -20.087 6.851 1.00 1.00 C ATOM 145 C TYR A 11 50.476 -20.645 5.433 1.00 1.00 C ATOM 146 O TYR A 11 51.529 -21.084 4.972 1.00 1.00 O ATOM 147 CB TYR A 11 51.164 -18.754 6.909 1.00 1.00 C ATOM 148 CG TYR A 11 52.441 -18.858 6.111 1.00 1.00 C ATOM 149 CD1 TYR A 11 53.575 -19.451 6.680 1.00 1.00 C ATOM 150 CD2 TYR A 11 52.492 -18.362 4.803 1.00 1.00 C ATOM 151 CE1 TYR A 11 54.760 -19.547 5.940 1.00 1.00 C ATOM 152 CE2 TYR A 11 53.677 -18.459 4.063 1.00 1.00 C ATOM 153 CZ TYR A 11 54.811 -19.052 4.632 1.00 1.00 C ATOM 154 OH TYR A 11 55.979 -19.147 3.902 1.00 1.00 O ATOM 0 H TYR A 11 51.782 -20.657 8.340 1.00 1.00 H new ATOM 0 HA TYR A 11 49.371 -19.930 7.123 1.00 1.00 H new ATOM 0 HB2 TYR A 11 50.538 -17.956 6.511 1.00 1.00 H new ATOM 0 HB3 TYR A 11 51.389 -18.496 7.944 1.00 1.00 H new ATOM 0 HD1 TYR A 11 53.536 -19.834 7.689 1.00 1.00 H new ATOM 0 HD2 TYR A 11 51.617 -17.905 4.365 1.00 1.00 H new ATOM 0 HE1 TYR A 11 55.635 -20.003 6.379 1.00 1.00 H new ATOM 0 HE2 TYR A 11 53.716 -18.077 3.054 1.00 1.00 H new ATOM 0 HH TYR A 11 55.842 -18.756 3.014 1.00 1.00 H new ATOM 164 N GLY A 12 49.339 -20.625 4.745 1.00 1.00 N ATOM 165 CA GLY A 12 49.273 -21.131 3.381 1.00 1.00 C ATOM 166 C GLY A 12 49.475 -20.005 2.372 1.00 1.00 C ATOM 167 O GLY A 12 50.506 -19.334 2.374 1.00 1.00 O ATOM 0 H GLY A 12 48.456 -20.266 5.108 1.00 1.00 H new ATOM 0 HA2 GLY A 12 50.036 -21.896 3.235 1.00 1.00 H new ATOM 0 HA3 GLY A 12 48.307 -21.607 3.212 1.00 1.00 H new ATOM 171 N ALA A 13 48.483 -19.807 1.510 1.00 1.00 N ATOM 172 CA ALA A 13 48.562 -18.758 0.499 1.00 1.00 C ATOM 173 C ALA A 13 47.218 -18.590 -0.205 1.00 1.00 C ATOM 174 O ALA A 13 47.142 -18.619 -1.433 1.00 1.00 O ATOM 175 CB ALA A 13 49.638 -19.106 -0.531 1.00 1.00 C ATOM 0 H ALA A 13 47.622 -20.354 1.490 1.00 1.00 H new ATOM 0 HA ALA A 13 48.821 -17.822 0.993 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.691 -18.318 -1.282 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.603 -19.197 -0.032 1.00 1.00 H new ATOM 0 HB3 ALA A 13 49.388 -20.051 -1.013 1.00 1.00 H new ATOM 181 N ASP A 14 46.162 -18.412 0.583 1.00 1.00 N ATOM 182 CA ASP A 14 44.826 -18.240 0.025 1.00 1.00 C ATOM 183 C ASP A 14 44.069 -17.151 0.776 1.00 1.00 C ATOM 184 O ASP A 14 42.888 -17.305 1.090 1.00 1.00 O ATOM 185 CB ASP A 14 44.051 -19.556 0.111 1.00 1.00 C ATOM 186 CG ASP A 14 44.733 -20.621 -0.741 1.00 1.00 C ATOM 187 OD1 ASP A 14 45.855 -20.978 -0.421 1.00 1.00 O ATOM 188 OD2 ASP A 14 44.124 -21.063 -1.701 1.00 1.00 O ATOM 0 H ASP A 14 46.205 -18.383 1.602 1.00 1.00 H new ATOM 0 HA ASP A 14 44.924 -17.944 -1.020 1.00 1.00 H new ATOM 0 HB2 ASP A 14 43.997 -19.888 1.148 1.00 1.00 H new ATOM 0 HB3 ASP A 14 43.027 -19.407 -0.230 1.00 1.00 H new ATOM 193 N ASN A 15 44.755 -16.048 1.059 1.00 1.00 N ATOM 194 CA ASN A 15 44.136 -14.938 1.774 1.00 1.00 C ATOM 195 C ASN A 15 44.594 -13.605 1.193 1.00 1.00 C ATOM 196 O ASN A 15 44.393 -12.551 1.798 1.00 1.00 O ATOM 197 CB ASN A 15 44.503 -15.003 3.259 1.00 1.00 C ATOM 198 CG ASN A 15 45.657 -14.049 3.552 1.00 1.00 C ATOM 199 OD1 ASN A 15 45.522 -13.148 4.380 1.00 1.00 O ATOM 200 ND2 ASN A 15 46.788 -14.193 2.918 1.00 1.00 N ATOM 0 H ASN A 15 45.732 -15.900 0.806 1.00 1.00 H new ATOM 0 HA ASN A 15 43.055 -15.017 1.664 1.00 1.00 H new ATOM 0 HB2 ASN A 15 43.638 -14.739 3.868 1.00 1.00 H new ATOM 0 HB3 ASN A 15 44.784 -16.021 3.529 1.00 1.00 H new ATOM 0 HD21 ASN A 15 47.563 -13.558 3.108 1.00 1.00 H new ATOM 0 HD22 ASN A 15 46.897 -14.940 2.233 1.00 1.00 H new ATOM 207 N GLN A 16 45.209 -13.658 0.016 1.00 1.00 N ATOM 208 CA GLN A 16 45.691 -12.447 -0.638 1.00 1.00 C ATOM 209 C GLN A 16 44.542 -11.473 -0.877 1.00 1.00 C ATOM 210 O GLN A 16 44.748 -10.361 -1.364 1.00 1.00 O ATOM 211 CB GLN A 16 46.347 -12.802 -1.974 1.00 1.00 C ATOM 212 CG GLN A 16 47.556 -11.893 -2.206 1.00 1.00 C ATOM 213 CD GLN A 16 48.736 -12.370 -1.367 1.00 1.00 C ATOM 214 OE1 GLN A 16 48.573 -13.357 -0.530 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 49.836 -11.829 -1.478 1.00 1.00 N flip ATOM 0 H GLN A 16 45.384 -14.519 -0.501 1.00 1.00 H new ATOM 0 HA GLN A 16 46.425 -11.972 0.013 1.00 1.00 H new ATOM 0 HB2 GLN A 16 46.659 -13.846 -1.972 1.00 1.00 H new ATOM 0 HB3 GLN A 16 45.629 -12.685 -2.786 1.00 1.00 H new ATOM 0 HG2 GLN A 16 47.826 -11.895 -3.262 1.00 1.00 H new ATOM 0 HG3 GLN A 16 47.304 -10.865 -1.944 1.00 1.00 H new ATOM 0 HE21 GLN A 16 49.961 -11.057 -2.133 1.00 1.00 H new ATOM 0 HE22 GLN A 16 50.623 -12.152 -0.915 1.00 1.00 H new ATOM 224 N SER A 17 43.331 -11.897 -0.530 1.00 1.00 N ATOM 225 CA SER A 17 42.156 -11.052 -0.712 1.00 1.00 C ATOM 226 C SER A 17 41.849 -10.279 0.567 1.00 1.00 C ATOM 227 O SER A 17 41.118 -10.758 1.434 1.00 1.00 O ATOM 228 CB SER A 17 40.949 -11.912 -1.092 1.00 1.00 C ATOM 229 OG SER A 17 39.952 -11.086 -1.679 1.00 1.00 O ATOM 0 H SER A 17 43.138 -12.813 -0.125 1.00 1.00 H new ATOM 0 HA SER A 17 42.363 -10.341 -1.512 1.00 1.00 H new ATOM 0 HB2 SER A 17 41.249 -12.693 -1.791 1.00 1.00 H new ATOM 0 HB3 SER A 17 40.551 -12.411 -0.209 1.00 1.00 H new ATOM 0 HG SER A 17 39.177 -11.633 -1.925 1.00 1.00 H new ATOM 235 N GLU A 18 42.412 -9.080 0.676 1.00 1.00 N ATOM 236 CA GLU A 18 42.192 -8.247 1.853 1.00 1.00 C ATOM 237 C GLU A 18 42.360 -6.772 1.505 1.00 1.00 C ATOM 238 O GLU A 18 42.791 -6.429 0.405 1.00 1.00 O ATOM 239 CB GLU A 18 43.182 -8.629 2.954 1.00 1.00 C ATOM 240 CG GLU A 18 42.415 -9.129 4.181 1.00 1.00 C ATOM 241 CD GLU A 18 43.393 -9.606 5.248 1.00 1.00 C ATOM 242 OE1 GLU A 18 44.519 -9.136 5.245 1.00 1.00 O ATOM 243 OE2 GLU A 18 43.002 -10.435 6.053 1.00 1.00 O ATOM 0 H GLU A 18 43.020 -8.666 -0.031 1.00 1.00 H new ATOM 0 HA GLU A 18 41.174 -8.411 2.206 1.00 1.00 H new ATOM 0 HB2 GLU A 18 43.860 -9.404 2.595 1.00 1.00 H new ATOM 0 HB3 GLU A 18 43.795 -7.768 3.221 1.00 1.00 H new ATOM 0 HG2 GLU A 18 41.790 -8.330 4.580 1.00 1.00 H new ATOM 0 HG3 GLU A 18 41.749 -9.943 3.897 1.00 1.00 H new ATOM 250 N CYS A 19 42.014 -5.903 2.450 1.00 1.00 N ATOM 251 CA CYS A 19 42.131 -4.466 2.231 1.00 1.00 C ATOM 252 C CYS A 19 41.469 -3.694 3.368 1.00 1.00 C ATOM 253 O CYS A 19 41.832 -2.552 3.650 1.00 1.00 O ATOM 254 CB CYS A 19 41.473 -4.083 0.904 1.00 1.00 C ATOM 255 SG CYS A 19 42.752 -3.832 -0.353 1.00 1.00 S ATOM 0 H CYS A 19 41.653 -6.166 3.367 1.00 1.00 H new ATOM 0 HA CYS A 19 43.190 -4.209 2.199 1.00 1.00 H new ATOM 0 HB2 CYS A 19 40.785 -4.867 0.587 1.00 1.00 H new ATOM 0 HB3 CYS A 19 40.885 -3.174 1.026 1.00 1.00 H new ATOM 0 HG CYS A 19 43.368 -4.955 -0.575 1.00 1.00 H new ATOM 261 N GLU A 20 40.495 -4.324 4.019 1.00 1.00 N ATOM 262 CA GLU A 20 39.791 -3.686 5.124 1.00 1.00 C ATOM 263 C GLU A 20 38.822 -4.664 5.780 1.00 1.00 C ATOM 264 O GLU A 20 38.578 -4.597 6.984 1.00 1.00 O ATOM 265 CB GLU A 20 39.020 -2.466 4.614 1.00 1.00 C ATOM 266 CG GLU A 20 38.210 -2.856 3.375 1.00 1.00 C ATOM 267 CD GLU A 20 37.425 -1.651 2.865 1.00 1.00 C ATOM 268 OE1 GLU A 20 37.346 -0.672 3.587 1.00 1.00 O ATOM 269 OE2 GLU A 20 36.914 -1.728 1.760 1.00 1.00 O ATOM 0 H GLU A 20 40.178 -5.269 3.802 1.00 1.00 H new ATOM 0 HA GLU A 20 40.526 -3.370 5.865 1.00 1.00 H new ATOM 0 HB2 GLU A 20 38.356 -2.091 5.393 1.00 1.00 H new ATOM 0 HB3 GLU A 20 39.713 -1.660 4.370 1.00 1.00 H new ATOM 0 HG2 GLU A 20 38.877 -3.223 2.595 1.00 1.00 H new ATOM 0 HG3 GLU A 20 37.526 -3.669 3.618 1.00 1.00 H new ATOM 276 N TYR A 21 38.273 -5.572 4.979 1.00 1.00 N ATOM 277 CA TYR A 21 37.331 -6.560 5.493 1.00 1.00 C ATOM 278 C TYR A 21 37.901 -7.257 6.724 1.00 1.00 C ATOM 279 O TYR A 21 37.192 -7.984 7.420 1.00 1.00 O ATOM 280 CB TYR A 21 37.025 -7.598 4.412 1.00 1.00 C ATOM 281 CG TYR A 21 37.380 -8.975 4.920 1.00 1.00 C ATOM 282 CD1 TYR A 21 38.718 -9.383 4.959 1.00 1.00 C ATOM 283 CD2 TYR A 21 36.371 -9.844 5.352 1.00 1.00 C ATOM 284 CE1 TYR A 21 39.049 -10.659 5.430 1.00 1.00 C ATOM 285 CE2 TYR A 21 36.700 -11.120 5.822 1.00 1.00 C ATOM 286 CZ TYR A 21 38.039 -11.528 5.862 1.00 1.00 C ATOM 287 OH TYR A 21 38.364 -12.787 6.326 1.00 1.00 O ATOM 0 H TYR A 21 38.462 -5.644 3.979 1.00 1.00 H new ATOM 0 HA TYR A 21 36.412 -6.046 5.776 1.00 1.00 H new ATOM 0 HB2 TYR A 21 35.969 -7.559 4.144 1.00 1.00 H new ATOM 0 HB3 TYR A 21 37.592 -7.375 3.508 1.00 1.00 H new ATOM 0 HD1 TYR A 21 39.496 -8.713 4.625 1.00 1.00 H new ATOM 0 HD2 TYR A 21 35.338 -9.529 5.322 1.00 1.00 H new ATOM 0 HE1 TYR A 21 40.082 -10.973 5.460 1.00 1.00 H new ATOM 0 HE2 TYR A 21 35.921 -11.790 6.154 1.00 1.00 H new ATOM 0 HH TYR A 21 37.547 -13.261 6.587 1.00 1.00 H new ATOM 297 N THR A 22 39.184 -7.031 6.987 1.00 1.00 N ATOM 298 CA THR A 22 39.837 -7.645 8.138 1.00 1.00 C ATOM 299 C THR A 22 39.922 -6.656 9.297 1.00 1.00 C ATOM 300 O THR A 22 39.799 -7.040 10.461 1.00 1.00 O ATOM 301 CB THR A 22 41.244 -8.107 7.754 1.00 1.00 C ATOM 302 OG1 THR A 22 41.156 -9.073 6.717 1.00 1.00 O ATOM 303 CG2 THR A 22 41.929 -8.726 8.974 1.00 1.00 C ATOM 0 H THR A 22 39.788 -6.432 6.424 1.00 1.00 H new ATOM 0 HA THR A 22 39.245 -8.505 8.452 1.00 1.00 H new ATOM 0 HB THR A 22 41.826 -7.253 7.407 1.00 1.00 H new ATOM 0 HG1 THR A 22 40.220 -9.180 6.449 1.00 1.00 H new ATOM 0 HG21 THR A 22 42.931 -9.055 8.700 1.00 1.00 H new ATOM 0 HG22 THR A 22 41.995 -7.984 9.770 1.00 1.00 H new ATOM 0 HG23 THR A 22 41.349 -9.581 9.322 1.00 1.00 H new ATOM 311 N ASP A 23 40.135 -5.385 8.969 1.00 1.00 N ATOM 312 CA ASP A 23 40.238 -4.347 9.991 1.00 1.00 C ATOM 313 C ASP A 23 38.980 -3.485 10.008 1.00 1.00 C ATOM 314 O ASP A 23 39.036 -2.294 10.314 1.00 1.00 O ATOM 315 CB ASP A 23 41.457 -3.467 9.718 1.00 1.00 C ATOM 316 CG ASP A 23 41.443 -2.989 8.270 1.00 1.00 C ATOM 317 OD1 ASP A 23 40.586 -2.185 7.941 1.00 1.00 O ATOM 318 OD2 ASP A 23 42.291 -3.431 7.513 1.00 1.00 O ATOM 0 H ASP A 23 40.239 -5.050 8.011 1.00 1.00 H new ATOM 0 HA ASP A 23 40.347 -4.829 10.963 1.00 1.00 H new ATOM 0 HB2 ASP A 23 41.455 -2.610 10.392 1.00 1.00 H new ATOM 0 HB3 ASP A 23 42.371 -4.027 9.916 1.00 1.00 H new ATOM 323 N TRP A 24 37.848 -4.095 9.677 1.00 1.00 N ATOM 324 CA TRP A 24 36.581 -3.373 9.657 1.00 1.00 C ATOM 325 C TRP A 24 36.354 -2.645 10.982 1.00 1.00 C ATOM 326 O TRP A 24 36.852 -1.538 11.181 1.00 1.00 O ATOM 327 CB TRP A 24 35.425 -4.343 9.385 1.00 1.00 C ATOM 328 CG TRP A 24 35.767 -5.711 9.894 1.00 1.00 C ATOM 329 CD1 TRP A 24 36.509 -5.974 10.993 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.388 -7.003 9.337 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.610 -7.344 11.147 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.935 -8.022 10.151 1.00 1.00 C ATOM 333 CE3 TRP A 24 34.629 -7.385 8.216 1.00 1.00 C ATOM 334 CZ2 TRP A 24 35.738 -9.373 9.863 1.00 1.00 C ATOM 335 CZ3 TRP A 24 34.428 -8.744 7.924 1.00 1.00 C ATOM 336 CH2 TRP A 24 34.982 -9.736 8.746 1.00 1.00 C ATOM 0 H TRP A 24 37.781 -5.080 9.421 1.00 1.00 H new ATOM 0 HA TRP A 24 36.619 -2.633 8.858 1.00 1.00 H new ATOM 0 HB2 TRP A 24 34.517 -3.983 9.869 1.00 1.00 H new ATOM 0 HB3 TRP A 24 35.220 -4.386 8.315 1.00 1.00 H new ATOM 0 HD1 TRP A 24 36.951 -5.234 11.644 1.00 1.00 H new ATOM 0 HE1 TRP A 24 37.121 -7.799 11.904 1.00 1.00 H new ATOM 0 HE3 TRP A 24 34.198 -6.629 7.576 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 36.167 -10.133 10.499 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 33.843 -9.027 7.061 1.00 1.00 H new ATOM 0 HH2 TRP A 24 34.824 -10.779 8.516 1.00 1.00 H new ATOM 347 N LYS A 25 35.601 -3.272 11.883 1.00 1.00 N ATOM 348 CA LYS A 25 35.315 -2.671 13.181 1.00 1.00 C ATOM 349 C LYS A 25 36.158 -3.330 14.273 1.00 1.00 C ATOM 350 O LYS A 25 35.740 -3.420 15.428 1.00 1.00 O ATOM 351 CB LYS A 25 33.824 -2.814 13.509 1.00 1.00 C ATOM 352 CG LYS A 25 33.301 -4.158 12.992 1.00 1.00 C ATOM 353 CD LYS A 25 34.117 -5.301 13.599 1.00 1.00 C ATOM 354 CE LYS A 25 33.348 -6.614 13.448 1.00 1.00 C ATOM 355 NZ LYS A 25 32.216 -6.642 14.416 1.00 1.00 N ATOM 0 H LYS A 25 35.181 -4.190 11.739 1.00 1.00 H new ATOM 0 HA LYS A 25 35.569 -1.612 13.138 1.00 1.00 H new ATOM 0 HB2 LYS A 25 33.672 -2.745 14.586 1.00 1.00 H new ATOM 0 HB3 LYS A 25 33.263 -1.997 13.055 1.00 1.00 H new ATOM 0 HG2 LYS A 25 32.249 -4.273 13.251 1.00 1.00 H new ATOM 0 HG3 LYS A 25 33.367 -4.190 11.904 1.00 1.00 H new ATOM 0 HD2 LYS A 25 35.084 -5.375 13.102 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.314 -5.102 14.652 1.00 1.00 H new ATOM 0 HE2 LYS A 25 32.972 -6.712 12.430 1.00 1.00 H new ATOM 0 HE3 LYS A 25 34.013 -7.459 13.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 31.930 -7.627 14.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 32.515 -6.207 15.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 31.412 -6.111 14.025 1.00 1.00 H new ATOM 369 N SER A 26 37.348 -3.787 13.895 1.00 1.00 N ATOM 370 CA SER A 26 38.246 -4.437 14.843 1.00 1.00 C ATOM 371 C SER A 26 39.652 -3.858 14.730 1.00 1.00 C ATOM 372 O SER A 26 40.180 -3.293 15.687 1.00 1.00 O ATOM 373 CB SER A 26 38.289 -5.941 14.574 1.00 1.00 C ATOM 374 OG SER A 26 37.416 -6.604 15.479 1.00 1.00 O ATOM 0 H SER A 26 37.711 -3.720 12.944 1.00 1.00 H new ATOM 0 HA SER A 26 37.871 -4.259 15.851 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.991 -6.147 13.546 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.306 -6.314 14.692 1.00 1.00 H new ATOM 0 HG SER A 26 37.439 -7.569 15.309 1.00 1.00 H new ATOM 380 N SER A 27 40.255 -4.003 13.555 1.00 1.00 N ATOM 381 CA SER A 27 41.601 -3.490 13.332 1.00 1.00 C ATOM 382 C SER A 27 42.548 -4.000 14.412 1.00 1.00 C ATOM 383 O SER A 27 43.425 -3.273 14.878 1.00 1.00 O ATOM 384 CB SER A 27 41.586 -1.962 13.345 1.00 1.00 C ATOM 385 OG SER A 27 40.715 -1.492 12.325 1.00 1.00 O ATOM 0 H SER A 27 39.837 -4.467 12.749 1.00 1.00 H new ATOM 0 HA SER A 27 41.949 -3.840 12.360 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.255 -1.598 14.318 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.593 -1.576 13.186 1.00 1.00 H new ATOM 0 HG SER A 27 40.702 -0.512 12.332 1.00 1.00 H new ATOM 391 N GLY A 28 42.359 -5.253 14.812 1.00 1.00 N ATOM 392 CA GLY A 28 43.199 -5.849 15.844 1.00 1.00 C ATOM 393 C GLY A 28 42.747 -5.401 17.229 1.00 1.00 C ATOM 394 O GLY A 28 43.367 -5.742 18.236 1.00 1.00 O ATOM 0 H GLY A 28 41.638 -5.871 14.441 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.154 -6.936 15.775 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.239 -5.563 15.685 1.00 1.00 H new ATOM 398 N ALA A 29 41.662 -4.634 17.269 1.00 1.00 N ATOM 399 CA ALA A 29 41.131 -4.141 18.535 1.00 1.00 C ATOM 400 C ALA A 29 42.263 -3.703 19.458 1.00 1.00 C ATOM 401 O ALA A 29 42.452 -4.266 20.537 1.00 1.00 O ATOM 402 CB ALA A 29 40.309 -5.236 19.218 1.00 1.00 C ATOM 0 H ALA A 29 41.136 -4.342 16.445 1.00 1.00 H new ATOM 0 HA ALA A 29 40.493 -3.282 18.329 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.916 -4.860 20.163 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.482 -5.527 18.571 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.943 -6.102 19.408 1.00 1.00 H new ATOM 408 N LEU A 30 43.012 -2.692 19.027 1.00 1.00 N ATOM 409 CA LEU A 30 44.124 -2.181 19.822 1.00 1.00 C ATOM 410 C LEU A 30 44.111 -0.656 19.841 1.00 1.00 C ATOM 411 O LEU A 30 45.149 -0.018 19.686 1.00 1.00 O ATOM 412 CB LEU A 30 45.451 -2.675 19.241 1.00 1.00 C ATOM 413 CG LEU A 30 45.644 -4.151 19.593 1.00 1.00 C ATOM 414 CD1 LEU A 30 46.219 -4.893 18.385 1.00 1.00 C ATOM 415 CD2 LEU A 30 46.611 -4.272 20.772 1.00 1.00 C ATOM 0 H LEU A 30 42.871 -2.213 18.138 1.00 1.00 H new ATOM 0 HA LEU A 30 44.016 -2.547 20.843 1.00 1.00 H new ATOM 0 HB2 LEU A 30 45.457 -2.544 18.159 1.00 1.00 H new ATOM 0 HB3 LEU A 30 46.277 -2.084 19.638 1.00 1.00 H new ATOM 0 HG LEU A 30 44.683 -4.588 19.864 1.00 1.00 H new ATOM 0 HD11 LEU A 30 46.357 -5.945 18.636 1.00 1.00 H new ATOM 0 HD12 LEU A 30 45.531 -4.807 17.544 1.00 1.00 H new ATOM 0 HD13 LEU A 30 47.180 -4.456 18.113 1.00 1.00 H new ATOM 0 HD21 LEU A 30 46.749 -5.324 21.023 1.00 1.00 H new ATOM 0 HD22 LEU A 30 47.572 -3.835 20.501 1.00 1.00 H new ATOM 0 HD23 LEU A 30 46.202 -3.744 21.633 1.00 1.00 H new ATOM 427 N ILE A 31 42.921 -0.086 20.036 1.00 1.00 N ATOM 428 CA ILE A 31 42.748 1.370 20.084 1.00 1.00 C ATOM 429 C ILE A 31 41.258 1.723 20.088 1.00 1.00 C ATOM 430 O ILE A 31 40.835 2.624 20.810 1.00 1.00 O ATOM 431 CB ILE A 31 43.468 2.065 18.899 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.656 2.889 19.435 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.520 3.003 18.124 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.159 4.047 20.311 1.00 1.00 C ATOM 0 H ILE A 31 42.057 -0.613 20.164 1.00 1.00 H new ATOM 0 HA ILE A 31 43.202 1.734 21.006 1.00 1.00 H new ATOM 0 HB ILE A 31 43.813 1.288 18.217 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.319 2.247 20.014 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.239 3.281 18.602 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.062 3.470 17.302 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.684 2.428 17.726 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.143 3.775 18.795 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.012 4.616 20.680 1.00 1.00 H new ATOM 0 HD12 ILE A 31 43.515 4.699 19.721 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.596 3.649 21.155 1.00 1.00 H new ATOM 446 N PRO A 32 40.458 1.044 19.297 1.00 1.00 N ATOM 447 CA PRO A 32 38.992 1.314 19.222 1.00 1.00 C ATOM 448 C PRO A 32 38.274 0.942 20.517 1.00 1.00 C ATOM 449 O PRO A 32 37.209 1.477 20.823 1.00 1.00 O ATOM 450 CB PRO A 32 38.501 0.442 18.055 1.00 1.00 C ATOM 451 CG PRO A 32 39.729 -0.043 17.354 1.00 1.00 C ATOM 452 CD PRO A 32 40.842 -0.051 18.394 1.00 1.00 C ATOM 0 HA PRO A 32 38.786 2.374 19.073 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.904 -0.394 18.418 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.868 1.016 17.379 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.574 -1.041 16.944 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.983 0.609 16.518 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.898 -1.005 18.918 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.818 0.122 17.942 1.00 1.00 H new ATOM 460 N ALA A 33 38.866 0.024 21.274 1.00 1.00 N ATOM 461 CA ALA A 33 38.275 -0.409 22.535 1.00 1.00 C ATOM 462 C ALA A 33 38.578 0.597 23.639 1.00 1.00 C ATOM 463 O ALA A 33 37.740 0.856 24.503 1.00 1.00 O ATOM 464 CB ALA A 33 38.826 -1.781 22.926 1.00 1.00 C ATOM 0 H ALA A 33 39.748 -0.432 21.039 1.00 1.00 H new ATOM 0 HA ALA A 33 37.195 -0.476 22.406 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.380 -2.097 23.869 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.583 -2.506 22.149 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.908 -1.720 23.040 1.00 1.00 H new ATOM 470 N ILE A 34 39.779 1.164 23.604 1.00 1.00 N ATOM 471 CA ILE A 34 40.182 2.144 24.606 1.00 1.00 C ATOM 472 C ILE A 34 39.718 3.539 24.204 1.00 1.00 C ATOM 473 O ILE A 34 40.079 4.531 24.838 1.00 1.00 O ATOM 474 CB ILE A 34 41.703 2.134 24.765 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.258 0.801 24.258 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.064 2.308 26.242 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.693 0.621 24.759 1.00 1.00 C ATOM 0 H ILE A 34 40.487 0.964 22.897 1.00 1.00 H new ATOM 0 HA ILE A 34 39.718 1.878 25.556 1.00 1.00 H new ATOM 0 HB ILE A 34 42.134 2.952 24.188 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.634 -0.021 24.608 1.00 1.00 H new ATOM 0 HG13 ILE A 34 42.236 0.777 23.168 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.148 2.301 26.355 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.668 3.257 26.604 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.634 1.491 26.820 1.00 1.00 H new ATOM 0 HD11 ILE A 34 44.088 -0.328 24.398 1.00 1.00 H new ATOM 0 HD12 ILE A 34 44.313 1.437 24.388 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.701 0.626 25.849 1.00 1.00 H new ATOM 489 N TYR A 35 38.915 3.608 23.147 1.00 1.00 N ATOM 490 CA TYR A 35 38.405 4.887 22.668 1.00 1.00 C ATOM 491 C TYR A 35 37.029 5.168 23.261 1.00 1.00 C ATOM 492 O TYR A 35 36.789 6.240 23.816 1.00 1.00 O ATOM 493 CB TYR A 35 38.310 4.872 21.141 1.00 1.00 C ATOM 494 CG TYR A 35 39.105 6.022 20.573 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.504 5.954 20.534 1.00 1.00 C ATOM 496 CD2 TYR A 35 38.446 7.156 20.085 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.241 7.022 20.007 1.00 1.00 C ATOM 498 CE2 TYR A 35 39.183 8.223 19.557 1.00 1.00 C ATOM 499 CZ TYR A 35 40.581 8.156 19.519 1.00 1.00 C ATOM 500 OH TYR A 35 41.308 9.206 18.999 1.00 1.00 O ATOM 0 H TYR A 35 38.605 2.799 22.609 1.00 1.00 H new ATOM 0 HA TYR A 35 39.092 5.673 22.982 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.690 3.927 20.752 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.268 4.949 20.831 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.013 5.079 20.910 1.00 1.00 H new ATOM 0 HD2 TYR A 35 37.368 7.208 20.116 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.319 6.971 19.977 1.00 1.00 H new ATOM 0 HE2 TYR A 35 38.673 9.097 19.179 1.00 1.00 H new ATOM 0 HH TYR A 35 40.697 9.913 18.704 1.00 1.00 H new ATOM 510 N MET A 36 36.132 4.196 23.142 1.00 1.00 N ATOM 511 CA MET A 36 34.783 4.347 23.672 1.00 1.00 C ATOM 512 C MET A 36 34.779 4.174 25.185 1.00 1.00 C ATOM 513 O MET A 36 34.037 4.853 25.895 1.00 1.00 O ATOM 514 CB MET A 36 33.856 3.311 23.034 1.00 1.00 C ATOM 515 CG MET A 36 33.563 3.716 21.590 1.00 1.00 C ATOM 516 SD MET A 36 31.912 4.449 21.491 1.00 1.00 S ATOM 517 CE MET A 36 32.428 6.101 20.960 1.00 1.00 C ATOM 0 H MET A 36 36.313 3.301 22.687 1.00 1.00 H new ATOM 0 HA MET A 36 34.428 5.350 23.434 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.321 2.325 23.060 1.00 1.00 H new ATOM 0 HB3 MET A 36 32.927 3.240 23.600 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.310 4.429 21.243 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.626 2.845 20.937 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.549 6.734 20.835 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.085 6.537 21.713 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.961 6.029 20.012 1.00 1.00 H new ATOM 527 N LEU A 37 35.615 3.265 25.674 1.00 1.00 N ATOM 528 CA LEU A 37 35.700 3.016 27.107 1.00 1.00 C ATOM 529 C LEU A 37 35.945 4.321 27.857 1.00 1.00 C ATOM 530 O LEU A 37 35.645 4.429 29.046 1.00 1.00 O ATOM 531 CB LEU A 37 36.836 2.024 27.393 1.00 1.00 C ATOM 532 CG LEU A 37 36.930 1.733 28.898 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.613 1.131 29.395 1.00 1.00 C ATOM 534 CD2 LEU A 37 38.064 0.735 29.147 1.00 1.00 C ATOM 0 H LEU A 37 36.238 2.693 25.104 1.00 1.00 H new ATOM 0 HA LEU A 37 34.757 2.590 27.449 1.00 1.00 H new ATOM 0 HB2 LEU A 37 36.663 1.096 26.847 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.782 2.432 27.036 1.00 1.00 H new ATOM 0 HG LEU A 37 37.126 2.662 29.433 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.686 0.927 30.463 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.800 1.835 29.215 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.413 0.202 28.861 1.00 1.00 H new ATOM 0 HD21 LEU A 37 38.136 0.524 30.214 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.860 -0.190 28.608 1.00 1.00 H new ATOM 0 HD23 LEU A 37 39.005 1.159 28.797 1.00 1.00 H new ATOM 546 N VAL A 38 36.492 5.308 27.152 1.00 1.00 N ATOM 547 CA VAL A 38 36.776 6.607 27.755 1.00 1.00 C ATOM 548 C VAL A 38 35.847 7.677 27.189 1.00 1.00 C ATOM 549 O VAL A 38 35.972 8.857 27.518 1.00 1.00 O ATOM 550 CB VAL A 38 38.232 6.997 27.485 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.690 8.026 28.521 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.116 5.752 27.581 1.00 1.00 C ATOM 0 H VAL A 38 36.746 5.234 26.167 1.00 1.00 H new ATOM 0 HA VAL A 38 36.611 6.533 28.830 1.00 1.00 H new ATOM 0 HB VAL A 38 38.312 7.428 26.487 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.726 8.302 28.326 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.060 8.913 28.456 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.610 7.597 29.520 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.153 6.027 27.389 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.033 5.323 28.580 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.792 5.018 26.843 1.00 1.00 H new ATOM 562 N PHE A 39 34.914 7.256 26.339 1.00 1.00 N ATOM 563 CA PHE A 39 33.965 8.186 25.732 1.00 1.00 C ATOM 564 C PHE A 39 32.574 7.996 26.330 1.00 1.00 C ATOM 565 O PHE A 39 31.609 8.623 25.893 1.00 1.00 O ATOM 566 CB PHE A 39 33.907 7.961 24.220 1.00 1.00 C ATOM 567 CG PHE A 39 33.586 9.266 23.530 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.571 10.255 23.412 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.307 9.487 23.008 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.274 11.465 22.774 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.010 10.696 22.368 1.00 1.00 C ATOM 572 CZ PHE A 39 32.994 11.685 22.251 1.00 1.00 C ATOM 0 H PHE A 39 34.795 6.283 26.056 1.00 1.00 H new ATOM 0 HA PHE A 39 34.301 9.203 25.935 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.861 7.573 23.862 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.149 7.215 23.981 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.559 10.084 23.813 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.548 8.724 23.099 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.032 12.229 22.685 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.023 10.866 21.965 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.766 12.618 21.757 1.00 1.00 H new ATOM 582 N LEU A 40 32.481 7.128 27.331 1.00 1.00 N ATOM 583 CA LEU A 40 31.204 6.862 27.983 1.00 1.00 C ATOM 584 C LEU A 40 31.418 6.513 29.452 1.00 1.00 C ATOM 585 O LEU A 40 30.481 6.541 30.250 1.00 1.00 O ATOM 586 CB LEU A 40 30.486 5.708 27.282 1.00 1.00 C ATOM 587 CG LEU A 40 31.367 4.456 27.316 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.835 3.485 28.371 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.341 3.780 25.944 1.00 1.00 C ATOM 0 H LEU A 40 33.269 6.600 27.707 1.00 1.00 H new ATOM 0 HA LEU A 40 30.591 7.761 27.918 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.534 5.508 27.773 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.262 5.979 26.250 1.00 1.00 H new ATOM 0 HG LEU A 40 32.390 4.738 27.565 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.462 2.594 28.395 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.851 3.966 29.349 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.812 3.202 28.122 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.968 2.888 25.966 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.318 3.498 25.697 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.719 4.471 25.191 1.00 1.00 H new ATOM 601 N LEU A 41 32.657 6.185 29.800 1.00 1.00 N ATOM 602 CA LEU A 41 32.986 5.832 31.175 1.00 1.00 C ATOM 603 C LEU A 41 32.272 6.760 32.152 1.00 1.00 C ATOM 604 O LEU A 41 31.746 6.316 33.173 1.00 1.00 O ATOM 605 CB LEU A 41 34.498 5.928 31.388 1.00 1.00 C ATOM 606 CG LEU A 41 35.034 4.578 31.871 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.555 4.657 32.018 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.409 4.238 33.226 1.00 1.00 C ATOM 0 H LEU A 41 33.445 6.156 29.153 1.00 1.00 H new ATOM 0 HA LEU A 41 32.657 4.809 31.358 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.989 6.214 30.458 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.724 6.704 32.120 1.00 1.00 H new ATOM 0 HG LEU A 41 34.778 3.804 31.147 1.00 1.00 H new ATOM 0 HD11 LEU A 41 36.938 3.696 32.362 1.00 1.00 H new ATOM 0 HD12 LEU A 41 37.001 4.901 31.054 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.811 5.430 32.743 1.00 1.00 H new ATOM 0 HD21 LEU A 41 34.790 3.277 33.571 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.666 5.011 33.950 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.325 4.183 33.123 1.00 1.00 H new ATOM 620 N GLY A 42 32.257 8.050 31.831 1.00 1.00 N ATOM 621 CA GLY A 42 31.602 9.030 32.689 1.00 1.00 C ATOM 622 C GLY A 42 31.836 10.449 32.179 1.00 1.00 C ATOM 623 O GLY A 42 31.897 11.395 32.964 1.00 1.00 O ATOM 0 H GLY A 42 32.687 8.438 30.991 1.00 1.00 H new ATOM 0 HA2 GLY A 42 30.532 8.826 32.728 1.00 1.00 H new ATOM 0 HA3 GLY A 42 31.982 8.939 33.707 1.00 1.00 H new ATOM 627 N THR A 43 31.964 10.587 30.861 1.00 1.00 N ATOM 628 CA THR A 43 32.189 11.897 30.257 1.00 1.00 C ATOM 629 C THR A 43 30.938 12.373 29.526 1.00 1.00 C ATOM 630 O THR A 43 30.427 13.460 29.793 1.00 1.00 O ATOM 631 CB THR A 43 33.359 11.823 29.274 1.00 1.00 C ATOM 632 OG1 THR A 43 33.101 12.677 28.168 1.00 1.00 O ATOM 633 CG2 THR A 43 33.528 10.385 28.783 1.00 1.00 C ATOM 0 H THR A 43 31.916 9.815 30.196 1.00 1.00 H new ATOM 0 HA THR A 43 32.424 12.607 31.050 1.00 1.00 H new ATOM 0 HB THR A 43 34.274 12.142 29.774 1.00 1.00 H new ATOM 0 HG1 THR A 43 33.850 12.632 27.538 1.00 1.00 H new ATOM 0 HG21 THR A 43 34.362 10.335 28.083 1.00 1.00 H new ATOM 0 HG22 THR A 43 33.728 9.732 29.632 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.615 10.062 28.283 1.00 1.00 H new ATOM 641 N THR A 44 30.449 11.552 28.602 1.00 1.00 N ATOM 642 CA THR A 44 29.257 11.900 27.838 1.00 1.00 C ATOM 643 C THR A 44 28.013 11.807 28.713 1.00 1.00 C ATOM 644 O THR A 44 27.743 12.695 29.522 1.00 1.00 O ATOM 645 CB THR A 44 29.112 10.959 26.640 1.00 1.00 C ATOM 646 OG1 THR A 44 29.413 9.631 27.043 1.00 1.00 O ATOM 647 CG2 THR A 44 30.073 11.389 25.530 1.00 1.00 C ATOM 0 H THR A 44 30.857 10.647 28.365 1.00 1.00 H new ATOM 0 HA THR A 44 29.362 12.926 27.484 1.00 1.00 H new ATOM 0 HB THR A 44 28.089 11.002 26.267 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.089 9.252 26.443 1.00 1.00 H new ATOM 0 HG21 THR A 44 29.968 10.718 24.678 1.00 1.00 H new ATOM 0 HG22 THR A 44 29.839 12.408 25.220 1.00 1.00 H new ATOM 0 HG23 THR A 44 31.098 11.349 25.900 1.00 1.00 H new ATOM 655 N GLY A 45 27.257 10.726 28.548 1.00 1.00 N ATOM 656 CA GLY A 45 26.042 10.528 29.329 1.00 1.00 C ATOM 657 C GLY A 45 25.888 9.067 29.735 1.00 1.00 C ATOM 658 O GLY A 45 25.450 8.764 30.845 1.00 1.00 O ATOM 0 H GLY A 45 27.463 9.979 27.885 1.00 1.00 H new ATOM 0 HA2 GLY A 45 26.071 11.156 30.220 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.175 10.841 28.746 1.00 1.00 H new ATOM 662 N ASN A 46 26.252 8.165 28.829 1.00 1.00 N ATOM 663 CA ASN A 46 26.149 6.735 29.103 1.00 1.00 C ATOM 664 C ASN A 46 24.848 6.421 29.833 1.00 1.00 C ATOM 665 O ASN A 46 24.859 5.992 30.986 1.00 1.00 O ATOM 666 CB ASN A 46 27.337 6.281 29.954 1.00 1.00 C ATOM 667 CG ASN A 46 27.281 6.945 31.325 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.722 8.165 31.468 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 26.824 6.337 32.294 1.00 1.00 N flip ATOM 0 H ASN A 46 26.618 8.396 27.905 1.00 1.00 H new ATOM 0 HA ASN A 46 26.156 6.200 28.153 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.322 5.197 30.065 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.271 6.537 29.455 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.479 5.384 32.182 1.00 1.00 H new ATOM 0 HD22 ASN A 46 26.790 6.787 33.209 1.00 1.00 H new ATOM 676 N GLY A 47 23.727 6.636 29.151 1.00 1.00 N ATOM 677 CA GLY A 47 22.421 6.371 29.744 1.00 1.00 C ATOM 678 C GLY A 47 21.308 6.590 28.725 1.00 1.00 C ATOM 679 O GLY A 47 20.367 5.800 28.638 1.00 1.00 O ATOM 0 H GLY A 47 23.696 6.990 28.195 1.00 1.00 H new ATOM 0 HA2 GLY A 47 22.386 5.346 30.113 1.00 1.00 H new ATOM 0 HA3 GLY A 47 22.267 7.024 30.603 1.00 1.00 H new ATOM 683 N LEU A 48 21.421 7.667 27.955 1.00 1.00 N ATOM 684 CA LEU A 48 20.417 7.981 26.945 1.00 1.00 C ATOM 685 C LEU A 48 21.071 8.615 25.721 1.00 1.00 C ATOM 686 O LEU A 48 20.385 9.080 24.809 1.00 1.00 O ATOM 687 CB LEU A 48 19.374 8.940 27.522 1.00 1.00 C ATOM 688 CG LEU A 48 18.022 8.230 27.614 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.024 9.125 28.352 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.501 7.944 26.202 1.00 1.00 C ATOM 0 H LEU A 48 22.192 8.333 28.010 1.00 1.00 H new ATOM 0 HA LEU A 48 19.929 7.054 26.645 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.685 9.281 28.509 1.00 1.00 H new ATOM 0 HB3 LEU A 48 19.290 9.825 26.891 1.00 1.00 H new ATOM 0 HG LEU A 48 18.140 7.292 28.157 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.061 8.619 28.417 1.00 1.00 H new ATOM 0 HD12 LEU A 48 17.394 9.332 29.356 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.905 10.063 27.809 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.538 7.438 26.265 1.00 1.00 H new ATOM 0 HD22 LEU A 48 17.383 8.883 25.661 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.211 7.307 25.674 1.00 1.00 H new ATOM 702 N VAL A 49 22.399 8.628 25.706 1.00 1.00 N ATOM 703 CA VAL A 49 23.135 9.208 24.588 1.00 1.00 C ATOM 704 C VAL A 49 23.453 8.142 23.545 1.00 1.00 C ATOM 705 O VAL A 49 23.570 8.437 22.355 1.00 1.00 O ATOM 706 CB VAL A 49 24.435 9.839 25.087 1.00 1.00 C ATOM 707 CG1 VAL A 49 25.216 10.409 23.901 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.109 10.965 26.070 1.00 1.00 C ATOM 0 H VAL A 49 22.985 8.247 26.449 1.00 1.00 H new ATOM 0 HA VAL A 49 22.512 9.976 24.129 1.00 1.00 H new ATOM 0 HB VAL A 49 25.038 9.081 25.587 1.00 1.00 H new ATOM 0 HG11 VAL A 49 26.143 10.859 24.258 1.00 1.00 H new ATOM 0 HG12 VAL A 49 25.448 9.608 23.199 1.00 1.00 H new ATOM 0 HG13 VAL A 49 24.614 11.167 23.400 1.00 1.00 H new ATOM 0 HG21 VAL A 49 25.035 11.416 26.427 1.00 1.00 H new ATOM 0 HG22 VAL A 49 23.506 11.722 25.569 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.553 10.560 26.916 1.00 1.00 H new ATOM 718 N LEU A 50 23.590 6.899 23.998 1.00 1.00 N ATOM 719 CA LEU A 50 23.894 5.797 23.092 1.00 1.00 C ATOM 720 C LEU A 50 22.642 5.369 22.335 1.00 1.00 C ATOM 721 O LEU A 50 22.708 4.547 21.421 1.00 1.00 O ATOM 722 CB LEU A 50 24.460 4.595 23.864 1.00 1.00 C ATOM 723 CG LEU A 50 24.317 4.804 25.377 1.00 1.00 C ATOM 724 CD1 LEU A 50 22.834 4.857 25.758 1.00 1.00 C ATOM 725 CD2 LEU A 50 24.980 3.634 26.108 1.00 1.00 C ATOM 0 H LEU A 50 23.496 6.632 24.978 1.00 1.00 H new ATOM 0 HA LEU A 50 24.644 6.146 22.381 1.00 1.00 H new ATOM 0 HB2 LEU A 50 23.936 3.687 23.567 1.00 1.00 H new ATOM 0 HB3 LEU A 50 25.511 4.455 23.609 1.00 1.00 H new ATOM 0 HG LEU A 50 24.795 5.742 25.659 1.00 1.00 H new ATOM 0 HD11 LEU A 50 22.740 5.006 26.834 1.00 1.00 H new ATOM 0 HD12 LEU A 50 22.353 5.683 25.234 1.00 1.00 H new ATOM 0 HD13 LEU A 50 22.353 3.920 25.478 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.883 3.775 27.184 1.00 1.00 H new ATOM 0 HD22 LEU A 50 24.494 2.702 25.819 1.00 1.00 H new ATOM 0 HD23 LEU A 50 26.036 3.590 25.842 1.00 1.00 H new ATOM 737 N TRP A 51 21.502 5.933 22.721 1.00 1.00 N ATOM 738 CA TRP A 51 20.239 5.603 22.071 1.00 1.00 C ATOM 739 C TRP A 51 20.120 6.326 20.734 1.00 1.00 C ATOM 740 O TRP A 51 19.535 5.806 19.784 1.00 1.00 O ATOM 741 CB TRP A 51 19.069 5.996 22.973 1.00 1.00 C ATOM 742 CG TRP A 51 18.219 7.009 22.275 1.00 1.00 C ATOM 743 CD1 TRP A 51 18.542 8.312 22.109 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.916 6.827 21.647 1.00 1.00 C ATOM 745 NE1 TRP A 51 17.521 8.941 21.419 1.00 1.00 N ATOM 746 CE2 TRP A 51 16.497 8.068 21.114 1.00 1.00 C ATOM 747 CE3 TRP A 51 16.067 5.716 21.492 1.00 1.00 C ATOM 748 CZ2 TRP A 51 15.277 8.202 20.448 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.839 5.848 20.823 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.445 7.089 20.302 1.00 1.00 C ATOM 0 H TRP A 51 21.427 6.616 23.475 1.00 1.00 H new ATOM 0 HA TRP A 51 20.214 4.528 21.893 1.00 1.00 H new ATOM 0 HB2 TRP A 51 18.475 5.116 23.220 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.442 6.404 23.913 1.00 1.00 H new ATOM 0 HD1 TRP A 51 19.449 8.784 22.458 1.00 1.00 H new ATOM 0 HE1 TRP A 51 17.525 9.929 21.167 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.361 4.756 21.890 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.978 9.160 20.048 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.195 4.989 20.709 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.500 7.184 19.789 1.00 1.00 H new ATOM 761 N THR A 52 20.680 7.530 20.666 1.00 1.00 N ATOM 762 CA THR A 52 20.630 8.317 19.439 1.00 1.00 C ATOM 763 C THR A 52 21.500 7.680 18.361 1.00 1.00 C ATOM 764 O THR A 52 21.250 7.852 17.168 1.00 1.00 O ATOM 765 CB THR A 52 21.113 9.743 19.713 1.00 1.00 C ATOM 766 OG1 THR A 52 20.566 10.621 18.738 1.00 1.00 O ATOM 767 CG2 THR A 52 22.640 9.789 19.645 1.00 1.00 C ATOM 0 H THR A 52 21.170 7.979 21.440 1.00 1.00 H new ATOM 0 HA THR A 52 19.598 8.346 19.088 1.00 1.00 H new ATOM 0 HB THR A 52 20.787 10.053 20.706 1.00 1.00 H new ATOM 0 HG1 THR A 52 20.873 11.535 18.912 1.00 1.00 H new ATOM 0 HG21 THR A 52 22.982 10.805 19.840 1.00 1.00 H new ATOM 0 HG22 THR A 52 23.058 9.115 20.393 1.00 1.00 H new ATOM 0 HG23 THR A 52 22.970 9.479 18.653 1.00 1.00 H new ATOM 775 N VAL A 53 22.521 6.945 18.788 1.00 1.00 N ATOM 776 CA VAL A 53 23.422 6.287 17.849 1.00 1.00 C ATOM 777 C VAL A 53 22.696 5.171 17.104 1.00 1.00 C ATOM 778 O VAL A 53 22.679 5.142 15.874 1.00 1.00 O ATOM 779 CB VAL A 53 24.623 5.708 18.596 1.00 1.00 C ATOM 780 CG1 VAL A 53 25.546 4.995 17.605 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.391 6.841 19.281 1.00 1.00 C ATOM 0 H VAL A 53 22.745 6.790 19.771 1.00 1.00 H new ATOM 0 HA VAL A 53 23.767 7.026 17.126 1.00 1.00 H new ATOM 0 HB VAL A 53 24.276 4.997 19.346 1.00 1.00 H new ATOM 0 HG11 VAL A 53 26.403 4.582 18.138 1.00 1.00 H new ATOM 0 HG12 VAL A 53 25.000 4.189 17.115 1.00 1.00 H new ATOM 0 HG13 VAL A 53 25.893 5.706 16.855 1.00 1.00 H new ATOM 0 HG21 VAL A 53 26.248 6.429 19.814 1.00 1.00 H new ATOM 0 HG22 VAL A 53 25.738 7.551 18.530 1.00 1.00 H new ATOM 0 HG23 VAL A 53 24.735 7.350 19.987 1.00 1.00 H new ATOM 791 N PHE A 54 22.098 4.254 17.858 1.00 1.00 N ATOM 792 CA PHE A 54 21.374 3.141 17.258 1.00 1.00 C ATOM 793 C PHE A 54 20.445 3.639 16.155 1.00 1.00 C ATOM 794 O PHE A 54 20.124 2.904 15.221 1.00 1.00 O ATOM 795 CB PHE A 54 20.557 2.413 18.327 1.00 1.00 C ATOM 796 CG PHE A 54 19.130 2.263 17.855 1.00 1.00 C ATOM 797 CD1 PHE A 54 18.815 1.327 16.861 1.00 1.00 C ATOM 798 CD2 PHE A 54 18.122 3.061 18.409 1.00 1.00 C ATOM 799 CE1 PHE A 54 17.493 1.189 16.424 1.00 1.00 C ATOM 800 CE2 PHE A 54 16.800 2.923 17.971 1.00 1.00 C ATOM 801 CZ PHE A 54 16.485 1.986 16.978 1.00 1.00 C ATOM 0 H PHE A 54 22.100 4.260 18.878 1.00 1.00 H new ATOM 0 HA PHE A 54 22.098 2.452 16.823 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.990 1.433 18.526 1.00 1.00 H new ATOM 0 HB3 PHE A 54 20.585 2.970 19.263 1.00 1.00 H new ATOM 0 HD1 PHE A 54 19.593 0.712 16.432 1.00 1.00 H new ATOM 0 HD2 PHE A 54 18.365 3.783 19.174 1.00 1.00 H new ATOM 0 HE1 PHE A 54 17.250 0.467 15.659 1.00 1.00 H new ATOM 0 HE2 PHE A 54 16.023 3.539 18.398 1.00 1.00 H new ATOM 0 HZ PHE A 54 15.465 1.879 16.640 1.00 1.00 H new ATOM 811 N ARG A 55 20.017 4.892 16.270 1.00 1.00 N ATOM 812 CA ARG A 55 19.124 5.478 15.277 1.00 1.00 C ATOM 813 C ARG A 55 19.915 5.974 14.072 1.00 1.00 C ATOM 814 O ARG A 55 19.527 5.745 12.926 1.00 1.00 O ATOM 815 CB ARG A 55 18.350 6.644 15.896 1.00 1.00 C ATOM 816 CG ARG A 55 16.923 6.658 15.343 1.00 1.00 C ATOM 817 CD ARG A 55 16.261 7.997 15.675 1.00 1.00 C ATOM 818 NE ARG A 55 16.234 8.851 14.493 1.00 1.00 N ATOM 819 CZ ARG A 55 15.742 10.085 14.549 1.00 1.00 C ATOM 820 NH1 ARG A 55 15.274 10.550 15.675 1.00 1.00 N ATOM 821 NH2 ARG A 55 15.727 10.831 13.479 1.00 1.00 N ATOM 0 H ARG A 55 20.272 5.517 17.035 1.00 1.00 H new ATOM 0 HA ARG A 55 18.424 4.711 14.947 1.00 1.00 H new ATOM 0 HB2 ARG A 55 18.330 6.546 16.981 1.00 1.00 H new ATOM 0 HB3 ARG A 55 18.849 7.587 15.670 1.00 1.00 H new ATOM 0 HG2 ARG A 55 16.938 6.505 14.264 1.00 1.00 H new ATOM 0 HG3 ARG A 55 16.347 5.839 15.773 1.00 1.00 H new ATOM 0 HD2 ARG A 55 15.246 7.830 16.035 1.00 1.00 H new ATOM 0 HD3 ARG A 55 16.807 8.492 16.478 1.00 1.00 H new ATOM 0 HE ARG A 55 16.598 8.496 13.609 1.00 1.00 H new ATOM 0 HH11 ARG A 55 15.286 9.967 16.512 1.00 1.00 H new ATOM 0 HH12 ARG A 55 14.897 11.497 15.718 1.00 1.00 H new ATOM 0 HH21 ARG A 55 16.093 10.468 12.599 1.00 1.00 H new ATOM 0 HH22 ARG A 55 15.349 11.778 13.522 1.00 1.00 H new ATOM 835 N LYS A 56 21.026 6.655 14.336 1.00 1.00 N ATOM 836 CA LYS A 56 21.865 7.177 13.264 1.00 1.00 C ATOM 837 C LYS A 56 22.117 6.105 12.209 1.00 1.00 C ATOM 838 O LYS A 56 22.573 6.402 11.104 1.00 1.00 O ATOM 839 CB LYS A 56 23.201 7.660 13.833 1.00 1.00 C ATOM 840 CG LYS A 56 23.262 9.187 13.774 1.00 1.00 C ATOM 841 CD LYS A 56 22.102 9.778 14.578 1.00 1.00 C ATOM 842 CE LYS A 56 22.638 10.831 15.550 1.00 1.00 C ATOM 843 NZ LYS A 56 21.498 11.490 16.245 1.00 1.00 N ATOM 0 H LYS A 56 21.364 6.857 15.277 1.00 1.00 H new ATOM 0 HA LYS A 56 21.345 8.014 12.798 1.00 1.00 H new ATOM 0 HB2 LYS A 56 23.313 7.321 14.863 1.00 1.00 H new ATOM 0 HB3 LYS A 56 24.026 7.231 13.265 1.00 1.00 H new ATOM 0 HG2 LYS A 56 24.212 9.539 14.175 1.00 1.00 H new ATOM 0 HG3 LYS A 56 23.209 9.524 12.739 1.00 1.00 H new ATOM 0 HD2 LYS A 56 21.371 10.227 13.905 1.00 1.00 H new ATOM 0 HD3 LYS A 56 21.587 8.989 15.127 1.00 1.00 H new ATOM 0 HE2 LYS A 56 23.302 10.365 16.278 1.00 1.00 H new ATOM 0 HE3 LYS A 56 23.227 11.573 15.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 21.724 12.492 16.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 20.644 11.419 15.655 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 21.329 11.020 17.157 1.00 1.00 H new ATOM 857 N LYS A 57 21.820 4.857 12.557 1.00 1.00 N ATOM 858 CA LYS A 57 22.019 3.749 11.631 1.00 1.00 C ATOM 859 C LYS A 57 20.748 3.487 10.830 1.00 1.00 C ATOM 860 O LYS A 57 20.385 2.338 10.580 1.00 1.00 O ATOM 861 CB LYS A 57 22.413 2.483 12.401 1.00 1.00 C ATOM 862 CG LYS A 57 23.055 2.863 13.739 1.00 1.00 C ATOM 863 CD LYS A 57 24.243 3.797 13.495 1.00 1.00 C ATOM 864 CE LYS A 57 25.391 3.419 14.432 1.00 1.00 C ATOM 865 NZ LYS A 57 25.998 2.134 13.980 1.00 1.00 N ATOM 0 H LYS A 57 21.444 4.589 13.466 1.00 1.00 H new ATOM 0 HA LYS A 57 22.821 4.016 10.943 1.00 1.00 H new ATOM 0 HB2 LYS A 57 21.533 1.863 12.573 1.00 1.00 H new ATOM 0 HB3 LYS A 57 23.110 1.889 11.809 1.00 1.00 H new ATOM 0 HG2 LYS A 57 22.321 3.352 14.379 1.00 1.00 H new ATOM 0 HG3 LYS A 57 23.387 1.966 14.262 1.00 1.00 H new ATOM 0 HD2 LYS A 57 24.568 3.725 12.457 1.00 1.00 H new ATOM 0 HD3 LYS A 57 23.946 4.832 13.665 1.00 1.00 H new ATOM 0 HE2 LYS A 57 26.144 4.207 14.438 1.00 1.00 H new ATOM 0 HE3 LYS A 57 25.024 3.321 15.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 26.984 2.082 14.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 25.459 1.337 14.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 25.975 2.086 12.941 1.00 1.00 H new ATOM 879 N GLY A 58 20.078 4.562 10.431 1.00 1.00 N ATOM 880 CA GLY A 58 18.848 4.439 9.657 1.00 1.00 C ATOM 881 C GLY A 58 19.109 4.684 8.175 1.00 1.00 C ATOM 882 O GLY A 58 19.031 5.816 7.699 1.00 1.00 O ATOM 0 H GLY A 58 20.363 5.521 10.628 1.00 1.00 H new ATOM 0 HA2 GLY A 58 18.425 3.444 9.796 1.00 1.00 H new ATOM 0 HA3 GLY A 58 18.111 5.153 10.023 1.00 1.00 H new ATOM 886 N HIS A 59 19.423 3.615 7.450 1.00 1.00 N ATOM 887 CA HIS A 59 19.696 3.725 6.021 1.00 1.00 C ATOM 888 C HIS A 59 18.514 4.361 5.296 1.00 1.00 C ATOM 889 O HIS A 59 18.638 4.800 4.153 1.00 1.00 O ATOM 890 CB HIS A 59 19.972 2.340 5.434 1.00 1.00 C ATOM 891 CG HIS A 59 20.910 1.590 6.340 1.00 1.00 C ATOM 892 ND1 HIS A 59 20.500 0.495 7.084 1.00 1.00 N ATOM 893 CD2 HIS A 59 22.240 1.765 6.631 1.00 1.00 C ATOM 894 CE1 HIS A 59 21.563 0.057 7.781 1.00 1.00 C ATOM 895 NE2 HIS A 59 22.650 0.796 7.542 1.00 1.00 N ATOM 0 H HIS A 59 19.494 2.669 7.825 1.00 1.00 H new ATOM 0 HA HIS A 59 20.573 4.358 5.886 1.00 1.00 H new ATOM 0 HB2 HIS A 59 19.039 1.788 5.322 1.00 1.00 H new ATOM 0 HB3 HIS A 59 20.408 2.435 4.439 1.00 1.00 H new ATOM 0 HD2 HIS A 59 22.872 2.537 6.216 1.00 1.00 H new ATOM 0 HE1 HIS A 59 21.541 -0.789 8.452 1.00 1.00 H new ATOM 0 HE2 HIS A 59 23.581 0.676 7.942 1.00 1.00 H new ATOM 903 N HIS A 60 17.369 4.407 5.968 1.00 1.00 N ATOM 904 CA HIS A 60 16.171 4.992 5.376 1.00 1.00 C ATOM 905 C HIS A 60 16.505 6.304 4.676 1.00 1.00 C ATOM 906 O HIS A 60 16.683 7.337 5.323 1.00 1.00 O ATOM 907 CB HIS A 60 15.121 5.243 6.462 1.00 1.00 C ATOM 908 CG HIS A 60 14.331 3.985 6.696 1.00 1.00 C ATOM 909 ND1 HIS A 60 12.972 3.906 6.435 1.00 1.00 N ATOM 910 CD2 HIS A 60 14.695 2.747 7.166 1.00 1.00 C ATOM 911 CE1 HIS A 60 12.570 2.661 6.746 1.00 1.00 C ATOM 912 NE2 HIS A 60 13.581 1.913 7.197 1.00 1.00 N ATOM 0 H HIS A 60 17.245 4.050 6.915 1.00 1.00 H new ATOM 0 HA HIS A 60 15.773 4.293 4.641 1.00 1.00 H new ATOM 0 HB2 HIS A 60 15.606 5.558 7.386 1.00 1.00 H new ATOM 0 HB3 HIS A 60 14.456 6.052 6.160 1.00 1.00 H new ATOM 0 HD2 HIS A 60 15.693 2.464 7.466 1.00 1.00 H new ATOM 0 HE1 HIS A 60 11.554 2.309 6.644 1.00 1.00 H new ATOM 0 HE2 HIS A 60 13.544 0.939 7.499 1.00 1.00 H new ATOM 920 N HIS A 61 16.588 6.258 3.351 1.00 1.00 N ATOM 921 CA HIS A 61 16.902 7.451 2.573 1.00 1.00 C ATOM 922 C HIS A 61 15.627 8.212 2.221 1.00 1.00 C ATOM 923 O HIS A 61 14.521 7.702 2.395 1.00 1.00 O ATOM 924 CB HIS A 61 17.635 7.059 1.288 1.00 1.00 C ATOM 925 CG HIS A 61 16.700 6.298 0.389 1.00 1.00 C ATOM 926 ND1 HIS A 61 15.537 6.861 -0.115 1.00 1.00 N ATOM 927 CD2 HIS A 61 16.742 5.018 -0.106 1.00 1.00 C ATOM 928 CE1 HIS A 61 14.933 5.930 -0.874 1.00 1.00 C ATOM 929 NE2 HIS A 61 15.625 4.788 -0.904 1.00 1.00 N ATOM 0 H HIS A 61 16.443 5.414 2.796 1.00 1.00 H new ATOM 0 HA HIS A 61 17.543 8.096 3.175 1.00 1.00 H new ATOM 0 HB2 HIS A 61 18.001 7.951 0.779 1.00 1.00 H new ATOM 0 HB3 HIS A 61 18.506 6.448 1.525 1.00 1.00 H new ATOM 0 HD1 HIS A 61 15.201 7.808 0.058 1.00 1.00 H new ATOM 0 HD2 HIS A 61 17.523 4.299 0.093 1.00 1.00 H new ATOM 0 HE1 HIS A 61 14.001 6.087 -1.396 1.00 1.00 H new ATOM 937 N HIS A 62 15.792 9.435 1.726 1.00 1.00 N ATOM 938 CA HIS A 62 14.647 10.257 1.353 1.00 1.00 C ATOM 939 C HIS A 62 13.793 9.546 0.309 1.00 1.00 C ATOM 940 O HIS A 62 14.315 8.907 -0.603 1.00 1.00 O ATOM 941 CB HIS A 62 15.127 11.598 0.795 1.00 1.00 C ATOM 942 CG HIS A 62 16.203 11.359 -0.228 1.00 1.00 C ATOM 943 ND1 HIS A 62 17.555 11.151 -0.106 1.00 1.00 N flip ATOM 944 CD2 HIS A 62 15.935 11.313 -1.587 1.00 1.00 C flip ATOM 945 CE1 HIS A 62 18.118 10.979 -1.368 1.00 1.00 C flip ATOM 946 NE2 HIS A 62 17.098 11.085 -2.224 1.00 1.00 N flip ATOM 0 H HIS A 62 16.700 9.875 1.575 1.00 1.00 H new ATOM 0 HA HIS A 62 14.042 10.429 2.243 1.00 1.00 H new ATOM 0 HB2 HIS A 62 14.293 12.135 0.343 1.00 1.00 H new ATOM 0 HB3 HIS A 62 15.510 12.224 1.601 1.00 1.00 H new ATOM 0 HD2 HIS A 62 14.968 11.438 -2.051 1.00 1.00 H new ATOM 0 HE1 HIS A 62 19.156 10.799 -1.604 1.00 1.00 H new ATOM 0 HE2 HIS A 62 17.190 11.003 -3.237 1.00 1.00 H new ATOM 954 N HIS A 63 12.477 9.661 0.450 1.00 1.00 N ATOM 955 CA HIS A 63 11.558 9.024 -0.487 1.00 1.00 C ATOM 956 C HIS A 63 11.831 9.500 -1.910 1.00 1.00 C ATOM 957 O HIS A 63 12.792 10.229 -2.159 1.00 1.00 O ATOM 958 CB HIS A 63 10.113 9.351 -0.107 1.00 1.00 C ATOM 959 CG HIS A 63 9.254 8.133 -0.309 1.00 1.00 C ATOM 960 ND1 HIS A 63 8.499 7.944 -1.457 1.00 1.00 N ATOM 961 CD2 HIS A 63 9.019 7.033 0.479 1.00 1.00 C ATOM 962 CE1 HIS A 63 7.852 6.771 -1.328 1.00 1.00 C ATOM 963 NE2 HIS A 63 8.134 6.175 -0.167 1.00 1.00 N ATOM 0 H HIS A 63 12.025 10.186 1.199 1.00 1.00 H new ATOM 0 HA HIS A 63 11.710 7.946 -0.440 1.00 1.00 H new ATOM 0 HB2 HIS A 63 10.064 9.676 0.932 1.00 1.00 H new ATOM 0 HB3 HIS A 63 9.743 10.175 -0.717 1.00 1.00 H new ATOM 0 HD2 HIS A 63 9.455 6.860 1.452 1.00 1.00 H new ATOM 0 HE1 HIS A 63 7.186 6.362 -2.073 1.00 1.00 H new ATOM 0 HE2 HIS A 63 7.777 5.282 0.174 1.00 1.00 H new ATOM 971 N HIS A 64 10.980 9.084 -2.842 1.00 1.00 N ATOM 972 CA HIS A 64 11.138 9.473 -4.238 1.00 1.00 C ATOM 973 C HIS A 64 11.497 10.952 -4.344 1.00 1.00 C ATOM 974 O HIS A 64 12.666 11.246 -4.525 1.00 1.00 O ATOM 975 CB HIS A 64 9.843 9.204 -5.006 1.00 1.00 C ATOM 976 CG HIS A 64 9.963 9.755 -6.400 1.00 1.00 C ATOM 977 ND1 HIS A 64 10.613 9.068 -7.414 1.00 1.00 N ATOM 978 CD2 HIS A 64 9.521 10.926 -6.966 1.00 1.00 C ATOM 979 CE1 HIS A 64 10.545 9.823 -8.525 1.00 1.00 C ATOM 980 NE2 HIS A 64 9.890 10.967 -8.307 1.00 1.00 N ATOM 981 OXT HIS A 64 10.596 11.769 -4.242 1.00 1.00 O ATOM 0 H HIS A 64 10.178 8.481 -2.657 1.00 1.00 H new ATOM 0 HA HIS A 64 11.945 8.882 -4.671 1.00 1.00 H new ATOM 0 HB2 HIS A 64 9.645 8.133 -5.043 1.00 1.00 H new ATOM 0 HB3 HIS A 64 9.000 9.666 -4.492 1.00 1.00 H new ATOM 0 HD2 HIS A 64 8.971 11.698 -6.449 1.00 1.00 H new ATOM 0 HE1 HIS A 64 10.968 9.539 -9.477 1.00 1.00 H new ATOM 0 HE2 HIS A 64 9.701 11.711 -8.979 1.00 1.00 H new TER 989 HIS A 64