USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 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 61 HIS : no HD1:sc= -0.455 K(o=-2.1,f=-9.8!) USER MOD Set 1.2: A 63 HIS :FLIP no HD1:sc= -1.63 F(o=-3.1!,f=-2.1) USER MOD Set 2.1: A 60 HIS : no HE2:sc= -2.43 K(o=-3.4,f=-14!) USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= -0.945 F(o=-4.5,f=-3.4) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0.0431 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -151:sc= 0.735 (180deg=0) USER MOD Set 4.1: A 44 THR OG1 : rot -20:sc= 0.858 USER MOD Set 4.2: A 46 ASN : amide:sc= -3.41! C(o=-2.5!,f=-4!) USER MOD Set 5.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 22 THR OG1 : rot 90:sc= 0.122 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.88 K(o=-3.9,f=-4.6!) 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 :FLIP amide:sc= 0.0522! C(o=-1.1!,f=0.052!) USER MOD Single : A 16 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3!) USER MOD Single : A 17 SER OG : rot -66:sc= 1.04 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 0.692 (180deg=0.59!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.456 USER MOD Single : A 27 SER OG : rot -50:sc= 0.968 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= -1.48 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.924 F(o=-1.5!,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.034 -16.989 -23.256 1.00 1.00 N ATOM 2 CA MET A 1 32.390 -17.013 -21.810 1.00 1.00 C ATOM 3 C MET A 1 32.869 -15.629 -21.382 1.00 1.00 C ATOM 4 O MET A 1 32.267 -14.993 -20.517 1.00 1.00 O ATOM 5 CB MET A 1 33.496 -18.044 -21.577 1.00 1.00 C ATOM 6 CG MET A 1 32.925 -19.245 -20.824 1.00 1.00 C ATOM 7 SD MET A 1 32.532 -18.762 -19.125 1.00 1.00 S ATOM 8 CE MET A 1 33.114 -20.273 -18.318 1.00 1.00 C ATOM 0 H1 MET A 1 31.707 -17.932 -23.549 1.00 1.00 H new ATOM 0 H2 MET A 1 31.276 -16.295 -23.415 1.00 1.00 H new ATOM 0 H3 MET A 1 32.870 -16.723 -23.815 1.00 1.00 H new ATOM 0 HA MET A 1 31.515 -17.286 -21.220 1.00 1.00 H new ATOM 0 HB2 MET A 1 33.915 -18.365 -22.531 1.00 1.00 H new ATOM 0 HB3 MET A 1 34.310 -17.597 -21.006 1.00 1.00 H new ATOM 0 HG2 MET A 1 32.029 -19.610 -21.326 1.00 1.00 H new ATOM 0 HG3 MET A 1 33.645 -20.063 -20.823 1.00 1.00 H new ATOM 0 HE1 MET A 1 32.964 -20.191 -17.241 1.00 1.00 H new ATOM 0 HE2 MET A 1 32.554 -21.127 -18.699 1.00 1.00 H new ATOM 0 HE3 MET A 1 34.175 -20.412 -18.527 1.00 1.00 H new ATOM 20 N GLU A 2 33.956 -15.170 -21.994 1.00 1.00 N ATOM 21 CA GLU A 2 34.507 -13.859 -21.669 1.00 1.00 C ATOM 22 C GLU A 2 35.102 -13.862 -20.264 1.00 1.00 C ATOM 23 O GLU A 2 34.392 -14.070 -19.280 1.00 1.00 O ATOM 24 CB GLU A 2 33.412 -12.795 -21.759 1.00 1.00 C ATOM 25 CG GLU A 2 33.986 -11.522 -22.384 1.00 1.00 C ATOM 26 CD GLU A 2 33.011 -10.365 -22.198 1.00 1.00 C ATOM 27 OE1 GLU A 2 31.874 -10.499 -22.619 1.00 1.00 O ATOM 28 OE2 GLU A 2 33.416 -9.359 -21.636 1.00 1.00 O ATOM 0 H GLU A 2 34.469 -15.681 -22.712 1.00 1.00 H new ATOM 0 HA GLU A 2 35.296 -13.629 -22.385 1.00 1.00 H new ATOM 0 HB2 GLU A 2 32.580 -13.164 -22.359 1.00 1.00 H new ATOM 0 HB3 GLU A 2 33.018 -12.579 -20.766 1.00 1.00 H new ATOM 0 HG2 GLU A 2 34.943 -11.280 -21.922 1.00 1.00 H new ATOM 0 HG3 GLU A 2 34.176 -11.682 -23.445 1.00 1.00 H new ATOM 35 N GLU A 3 36.407 -13.630 -20.181 1.00 1.00 N ATOM 36 CA GLU A 3 37.088 -13.609 -18.890 1.00 1.00 C ATOM 37 C GLU A 3 37.154 -12.186 -18.343 1.00 1.00 C ATOM 38 O GLU A 3 36.559 -11.881 -17.310 1.00 1.00 O ATOM 39 CB GLU A 3 38.505 -14.167 -19.038 1.00 1.00 C ATOM 40 CG GLU A 3 38.516 -15.253 -20.116 1.00 1.00 C ATOM 41 CD GLU A 3 38.671 -14.617 -21.493 1.00 1.00 C ATOM 42 OE1 GLU A 3 39.760 -14.154 -21.792 1.00 1.00 O ATOM 43 OE2 GLU A 3 37.698 -14.602 -22.230 1.00 1.00 O ATOM 0 H GLU A 3 37.011 -13.455 -20.984 1.00 1.00 H new ATOM 0 HA GLU A 3 36.525 -14.229 -18.193 1.00 1.00 H new ATOM 0 HB2 GLU A 3 39.196 -13.367 -19.305 1.00 1.00 H new ATOM 0 HB3 GLU A 3 38.846 -14.579 -18.088 1.00 1.00 H new ATOM 0 HG2 GLU A 3 39.334 -15.950 -19.934 1.00 1.00 H new ATOM 0 HG3 GLU A 3 37.591 -15.829 -20.074 1.00 1.00 H new ATOM 50 N GLY A 4 37.880 -11.322 -19.043 1.00 1.00 N ATOM 51 CA GLY A 4 38.017 -9.933 -18.617 1.00 1.00 C ATOM 52 C GLY A 4 38.474 -9.052 -19.774 1.00 1.00 C ATOM 53 O GLY A 4 37.663 -8.385 -20.417 1.00 1.00 O ATOM 0 H GLY A 4 38.379 -11.555 -19.901 1.00 1.00 H new ATOM 0 HA2 GLY A 4 37.063 -9.570 -18.233 1.00 1.00 H new ATOM 0 HA3 GLY A 4 38.735 -9.868 -17.800 1.00 1.00 H new ATOM 57 N GLY A 5 39.777 -9.052 -20.033 1.00 1.00 N ATOM 58 CA GLY A 5 40.331 -8.247 -21.116 1.00 1.00 C ATOM 59 C GLY A 5 41.667 -7.634 -20.710 1.00 1.00 C ATOM 60 O GLY A 5 42.655 -7.738 -21.437 1.00 1.00 O ATOM 0 H GLY A 5 40.465 -9.596 -19.512 1.00 1.00 H new ATOM 0 HA2 GLY A 5 40.465 -8.866 -22.003 1.00 1.00 H new ATOM 0 HA3 GLY A 5 39.630 -7.456 -21.382 1.00 1.00 H new ATOM 64 N ASP A 6 41.688 -6.995 -19.545 1.00 1.00 N ATOM 65 CA ASP A 6 42.910 -6.368 -19.052 1.00 1.00 C ATOM 66 C ASP A 6 43.578 -7.250 -18.002 1.00 1.00 C ATOM 67 O ASP A 6 44.545 -7.953 -18.292 1.00 1.00 O ATOM 68 CB ASP A 6 42.586 -5.002 -18.444 1.00 1.00 C ATOM 69 CG ASP A 6 41.310 -5.090 -17.614 1.00 1.00 C ATOM 70 OD1 ASP A 6 40.242 -5.100 -18.204 1.00 1.00 O ATOM 71 OD2 ASP A 6 41.419 -5.148 -16.400 1.00 1.00 O ATOM 0 H ASP A 6 40.881 -6.898 -18.929 1.00 1.00 H new ATOM 0 HA ASP A 6 43.595 -6.239 -19.890 1.00 1.00 H new ATOM 0 HB2 ASP A 6 43.414 -4.667 -17.819 1.00 1.00 H new ATOM 0 HB3 ASP A 6 42.465 -4.262 -19.235 1.00 1.00 H new ATOM 76 N PHE A 7 43.054 -7.208 -16.781 1.00 1.00 N ATOM 77 CA PHE A 7 43.607 -8.007 -15.694 1.00 1.00 C ATOM 78 C PHE A 7 45.019 -7.543 -15.351 1.00 1.00 C ATOM 79 O PHE A 7 45.971 -8.321 -15.415 1.00 1.00 O ATOM 80 CB PHE A 7 43.636 -9.484 -16.094 1.00 1.00 C ATOM 81 CG PHE A 7 43.664 -10.342 -14.852 1.00 1.00 C ATOM 82 CD1 PHE A 7 42.508 -10.484 -14.074 1.00 1.00 C ATOM 83 CD2 PHE A 7 44.844 -10.994 -14.478 1.00 1.00 C ATOM 84 CE1 PHE A 7 42.534 -11.279 -12.922 1.00 1.00 C ATOM 85 CE2 PHE A 7 44.869 -11.790 -13.326 1.00 1.00 C ATOM 86 CZ PHE A 7 43.714 -11.932 -12.548 1.00 1.00 C ATOM 0 H PHE A 7 42.253 -6.633 -16.521 1.00 1.00 H new ATOM 0 HA PHE A 7 42.973 -7.880 -14.817 1.00 1.00 H new ATOM 0 HB2 PHE A 7 42.760 -9.726 -16.696 1.00 1.00 H new ATOM 0 HB3 PHE A 7 44.512 -9.688 -16.709 1.00 1.00 H new ATOM 0 HD1 PHE A 7 41.597 -9.981 -14.363 1.00 1.00 H new ATOM 0 HD2 PHE A 7 45.735 -10.883 -15.078 1.00 1.00 H new ATOM 0 HE1 PHE A 7 41.643 -11.388 -12.322 1.00 1.00 H new ATOM 0 HE2 PHE A 7 45.779 -12.294 -13.038 1.00 1.00 H new ATOM 0 HZ PHE A 7 43.733 -12.545 -11.659 1.00 1.00 H new ATOM 96 N ASP A 8 45.146 -6.271 -14.989 1.00 1.00 N ATOM 97 CA ASP A 8 46.445 -5.715 -14.637 1.00 1.00 C ATOM 98 C ASP A 8 47.458 -5.978 -15.746 1.00 1.00 C ATOM 99 O ASP A 8 48.589 -6.387 -15.484 1.00 1.00 O ATOM 100 CB ASP A 8 46.938 -6.335 -13.330 1.00 1.00 C ATOM 101 CG ASP A 8 47.903 -5.383 -12.631 1.00 1.00 C ATOM 102 OD1 ASP A 8 47.581 -4.210 -12.533 1.00 1.00 O ATOM 103 OD2 ASP A 8 48.950 -5.841 -12.204 1.00 1.00 O ATOM 0 H ASP A 8 44.371 -5.611 -14.932 1.00 1.00 H new ATOM 0 HA ASP A 8 46.339 -4.638 -14.509 1.00 1.00 H new ATOM 0 HB2 ASP A 8 46.091 -6.551 -12.678 1.00 1.00 H new ATOM 0 HB3 ASP A 8 47.434 -7.284 -13.533 1.00 1.00 H new ATOM 108 N ASN A 9 47.040 -5.742 -16.985 1.00 1.00 N ATOM 109 CA ASN A 9 47.915 -5.956 -18.131 1.00 1.00 C ATOM 110 C ASN A 9 47.790 -4.803 -19.120 1.00 1.00 C ATOM 111 O ASN A 9 46.771 -4.660 -19.796 1.00 1.00 O ATOM 112 CB ASN A 9 47.553 -7.270 -18.826 1.00 1.00 C ATOM 113 CG ASN A 9 47.551 -8.412 -17.815 1.00 1.00 C ATOM 114 OD1 ASN A 9 48.254 -8.349 -16.806 1.00 1.00 O ATOM 115 ND2 ASN A 9 46.800 -9.457 -18.027 1.00 1.00 N ATOM 0 H ASN A 9 46.107 -5.405 -17.220 1.00 1.00 H new ATOM 0 HA ASN A 9 48.944 -6.006 -17.776 1.00 1.00 H new ATOM 0 HB2 ASN A 9 46.572 -7.185 -19.293 1.00 1.00 H new ATOM 0 HB3 ASN A 9 48.268 -7.479 -19.622 1.00 1.00 H new ATOM 0 HD21 ASN A 9 46.794 -10.225 -17.356 1.00 1.00 H new ATOM 0 HD22 ASN A 9 46.219 -9.506 -18.864 1.00 1.00 H new ATOM 122 N TYR A 10 48.833 -3.984 -19.200 1.00 1.00 N ATOM 123 CA TYR A 10 48.828 -2.846 -20.112 1.00 1.00 C ATOM 124 C TYR A 10 47.527 -2.060 -19.984 1.00 1.00 C ATOM 125 O TYR A 10 47.211 -1.223 -20.830 1.00 1.00 O ATOM 126 CB TYR A 10 48.995 -3.334 -21.549 1.00 1.00 C ATOM 127 CG TYR A 10 49.580 -2.226 -22.394 1.00 1.00 C ATOM 128 CD1 TYR A 10 50.960 -1.989 -22.379 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.741 -1.438 -23.191 1.00 1.00 C ATOM 130 CE1 TYR A 10 51.501 -0.961 -23.162 1.00 1.00 C ATOM 131 CE2 TYR A 10 49.283 -0.411 -23.974 1.00 1.00 C ATOM 132 CZ TYR A 10 50.662 -0.173 -23.959 1.00 1.00 C ATOM 133 OH TYR A 10 51.197 0.839 -24.730 1.00 1.00 O ATOM 0 H TYR A 10 49.686 -4.085 -18.650 1.00 1.00 H new ATOM 0 HA TYR A 10 49.659 -2.190 -19.852 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.647 -4.207 -21.574 1.00 1.00 H new ATOM 0 HB3 TYR A 10 48.031 -3.644 -21.953 1.00 1.00 H new ATOM 0 HD1 TYR A 10 51.607 -2.598 -21.765 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.677 -1.622 -23.202 1.00 1.00 H new ATOM 0 HE1 TYR A 10 52.565 -0.776 -23.151 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.637 0.197 -24.589 1.00 1.00 H new ATOM 0 HH TYR A 10 50.479 1.288 -25.224 1.00 1.00 H new ATOM 143 N TYR A 11 46.777 -2.335 -18.922 1.00 1.00 N ATOM 144 CA TYR A 11 45.512 -1.646 -18.694 1.00 1.00 C ATOM 145 C TYR A 11 45.162 -1.646 -17.209 1.00 1.00 C ATOM 146 O TYR A 11 44.959 -2.701 -16.610 1.00 1.00 O ATOM 147 CB TYR A 11 44.395 -2.330 -19.484 1.00 1.00 C ATOM 148 CG TYR A 11 44.328 -1.743 -20.873 1.00 1.00 C ATOM 149 CD1 TYR A 11 43.799 -0.461 -21.066 1.00 1.00 C ATOM 150 CD2 TYR A 11 44.795 -2.480 -21.967 1.00 1.00 C ATOM 151 CE1 TYR A 11 43.737 0.084 -22.354 1.00 1.00 C ATOM 152 CE2 TYR A 11 44.732 -1.935 -23.256 1.00 1.00 C ATOM 153 CZ TYR A 11 44.203 -0.654 -23.449 1.00 1.00 C ATOM 154 OH TYR A 11 44.142 -0.117 -24.719 1.00 1.00 O ATOM 0 H TYR A 11 47.020 -3.024 -18.211 1.00 1.00 H new ATOM 0 HA TYR A 11 45.615 -0.615 -19.031 1.00 1.00 H new ATOM 0 HB2 TYR A 11 44.579 -3.403 -19.540 1.00 1.00 H new ATOM 0 HB3 TYR A 11 43.441 -2.196 -18.975 1.00 1.00 H new ATOM 0 HD1 TYR A 11 43.439 0.107 -20.221 1.00 1.00 H new ATOM 0 HD2 TYR A 11 45.204 -3.468 -21.818 1.00 1.00 H new ATOM 0 HE1 TYR A 11 43.330 1.073 -22.503 1.00 1.00 H new ATOM 0 HE2 TYR A 11 45.092 -2.504 -24.101 1.00 1.00 H new ATOM 0 HH TYR A 11 44.507 -0.759 -25.363 1.00 1.00 H new ATOM 164 N GLY A 12 45.093 -0.454 -16.623 1.00 1.00 N ATOM 165 CA GLY A 12 44.767 -0.326 -15.207 1.00 1.00 C ATOM 166 C GLY A 12 46.005 0.030 -14.392 1.00 1.00 C ATOM 167 O GLY A 12 45.910 0.686 -13.354 1.00 1.00 O ATOM 0 H GLY A 12 45.257 0.431 -17.103 1.00 1.00 H new ATOM 0 HA2 GLY A 12 44.006 0.443 -15.073 1.00 1.00 H new ATOM 0 HA3 GLY A 12 44.343 -1.261 -14.842 1.00 1.00 H new ATOM 171 N ALA A 13 47.167 -0.404 -14.869 1.00 1.00 N ATOM 172 CA ALA A 13 48.419 -0.124 -14.175 1.00 1.00 C ATOM 173 C ALA A 13 49.604 -0.280 -15.122 1.00 1.00 C ATOM 174 O ALA A 13 50.518 0.544 -15.129 1.00 1.00 O ATOM 175 CB ALA A 13 48.581 -1.076 -12.988 1.00 1.00 C ATOM 0 H ALA A 13 47.268 -0.947 -15.727 1.00 1.00 H new ATOM 0 HA ALA A 13 48.391 0.904 -13.815 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.518 -0.861 -12.474 1.00 1.00 H new ATOM 0 HB2 ALA A 13 47.749 -0.941 -12.297 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.591 -2.105 -13.346 1.00 1.00 H new ATOM 181 N ASP A 14 49.582 -1.344 -15.919 1.00 1.00 N ATOM 182 CA ASP A 14 50.661 -1.599 -16.866 1.00 1.00 C ATOM 183 C ASP A 14 51.869 -2.199 -16.154 1.00 1.00 C ATOM 184 O ASP A 14 52.882 -2.507 -16.781 1.00 1.00 O ATOM 185 CB ASP A 14 51.069 -0.297 -17.558 1.00 1.00 C ATOM 186 CG ASP A 14 51.515 -0.583 -18.987 1.00 1.00 C ATOM 187 OD1 ASP A 14 52.488 -1.299 -19.151 1.00 1.00 O ATOM 188 OD2 ASP A 14 50.877 -0.082 -19.898 1.00 1.00 O ATOM 0 H ASP A 14 48.835 -2.038 -15.928 1.00 1.00 H new ATOM 0 HA ASP A 14 50.303 -2.309 -17.611 1.00 1.00 H new ATOM 0 HB2 ASP A 14 50.231 0.400 -17.563 1.00 1.00 H new ATOM 0 HB3 ASP A 14 51.878 0.180 -17.005 1.00 1.00 H new ATOM 193 N ASN A 15 51.754 -2.362 -14.841 1.00 1.00 N ATOM 194 CA ASN A 15 52.843 -2.927 -14.052 1.00 1.00 C ATOM 195 C ASN A 15 54.091 -2.057 -14.163 1.00 1.00 C ATOM 196 O ASN A 15 54.562 -1.768 -15.263 1.00 1.00 O ATOM 197 CB ASN A 15 53.160 -4.343 -14.539 1.00 1.00 C ATOM 198 CG ASN A 15 51.924 -4.961 -15.182 1.00 1.00 C ATOM 199 OD1 ASN A 15 51.965 -5.327 -16.434 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 50.894 -5.116 -14.527 1.00 1.00 N flip ATOM 0 H ASN A 15 50.924 -2.113 -14.303 1.00 1.00 H new ATOM 0 HA ASN A 15 52.531 -2.963 -13.008 1.00 1.00 H new ATOM 0 HB2 ASN A 15 53.979 -4.315 -15.258 1.00 1.00 H new ATOM 0 HB3 ASN A 15 53.492 -4.959 -13.703 1.00 1.00 H new ATOM 0 HD21 ASN A 15 50.864 -4.829 -13.549 1.00 1.00 H new ATOM 0 HD22 ASN A 15 50.070 -5.531 -14.962 1.00 1.00 H new ATOM 207 N GLN A 16 54.622 -1.644 -13.017 1.00 1.00 N ATOM 208 CA GLN A 16 55.817 -0.807 -12.998 1.00 1.00 C ATOM 209 C GLN A 16 57.056 -1.650 -12.714 1.00 1.00 C ATOM 210 O GLN A 16 58.137 -1.377 -13.236 1.00 1.00 O ATOM 211 CB GLN A 16 55.678 0.277 -11.927 1.00 1.00 C ATOM 212 CG GLN A 16 54.299 0.930 -12.037 1.00 1.00 C ATOM 213 CD GLN A 16 53.256 0.071 -11.329 1.00 1.00 C ATOM 214 OE1 GLN A 16 52.351 -0.463 -11.970 1.00 1.00 O ATOM 215 NE2 GLN A 16 53.330 -0.095 -10.036 1.00 1.00 N ATOM 0 H GLN A 16 54.248 -1.873 -12.096 1.00 1.00 H new ATOM 0 HA GLN A 16 55.926 -0.339 -13.976 1.00 1.00 H new ATOM 0 HB2 GLN A 16 55.808 -0.157 -10.936 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.458 1.028 -12.051 1.00 1.00 H new ATOM 0 HG2 GLN A 16 54.323 1.926 -11.594 1.00 1.00 H new ATOM 0 HG3 GLN A 16 54.029 1.054 -13.086 1.00 1.00 H new ATOM 0 HE21 GLN A 16 54.081 0.349 -9.507 1.00 1.00 H new ATOM 0 HE22 GLN A 16 52.637 -0.668 -9.555 1.00 1.00 H new ATOM 224 N SER A 17 56.892 -2.674 -11.883 1.00 1.00 N ATOM 225 CA SER A 17 58.005 -3.550 -11.536 1.00 1.00 C ATOM 226 C SER A 17 57.493 -4.863 -10.953 1.00 1.00 C ATOM 227 O SER A 17 58.136 -5.463 -10.092 1.00 1.00 O ATOM 228 CB SER A 17 58.916 -2.859 -10.520 1.00 1.00 C ATOM 229 OG SER A 17 59.849 -3.802 -10.010 1.00 1.00 O ATOM 0 H SER A 17 56.006 -2.917 -11.440 1.00 1.00 H new ATOM 0 HA SER A 17 58.570 -3.765 -12.443 1.00 1.00 H new ATOM 0 HB2 SER A 17 59.441 -2.028 -10.991 1.00 1.00 H new ATOM 0 HB3 SER A 17 58.322 -2.441 -9.707 1.00 1.00 H new ATOM 0 HG SER A 17 59.373 -4.487 -9.495 1.00 1.00 H new ATOM 235 N GLU A 18 56.334 -5.303 -11.429 1.00 1.00 N ATOM 236 CA GLU A 18 55.744 -6.546 -10.949 1.00 1.00 C ATOM 237 C GLU A 18 56.635 -7.734 -11.303 1.00 1.00 C ATOM 238 O GLU A 18 56.921 -8.581 -10.458 1.00 1.00 O ATOM 239 CB GLU A 18 54.361 -6.736 -11.571 1.00 1.00 C ATOM 240 CG GLU A 18 53.615 -7.843 -10.825 1.00 1.00 C ATOM 241 CD GLU A 18 53.105 -7.318 -9.487 1.00 1.00 C ATOM 242 OE1 GLU A 18 52.711 -6.165 -9.437 1.00 1.00 O ATOM 243 OE2 GLU A 18 53.116 -8.078 -8.533 1.00 1.00 O ATOM 0 H GLU A 18 55.787 -4.821 -12.142 1.00 1.00 H new ATOM 0 HA GLU A 18 55.650 -6.491 -9.864 1.00 1.00 H new ATOM 0 HB2 GLU A 18 53.797 -5.805 -11.521 1.00 1.00 H new ATOM 0 HB3 GLU A 18 54.457 -6.994 -12.626 1.00 1.00 H new ATOM 0 HG2 GLU A 18 52.780 -8.200 -11.427 1.00 1.00 H new ATOM 0 HG3 GLU A 18 54.277 -8.694 -10.663 1.00 1.00 H new ATOM 250 N CYS A 19 57.068 -7.787 -12.559 1.00 1.00 N ATOM 251 CA CYS A 19 57.925 -8.875 -13.015 1.00 1.00 C ATOM 252 C CYS A 19 57.170 -10.201 -12.984 1.00 1.00 C ATOM 253 O CYS A 19 57.683 -11.207 -12.496 1.00 1.00 O ATOM 254 CB CYS A 19 59.165 -8.972 -12.124 1.00 1.00 C ATOM 255 SG CYS A 19 60.505 -9.773 -13.038 1.00 1.00 S ATOM 0 H CYS A 19 56.842 -7.095 -13.274 1.00 1.00 H new ATOM 0 HA CYS A 19 58.230 -8.667 -14.041 1.00 1.00 H new ATOM 0 HB2 CYS A 19 59.474 -7.977 -11.803 1.00 1.00 H new ATOM 0 HB3 CYS A 19 58.935 -9.541 -11.223 1.00 1.00 H new ATOM 0 HG CYS A 19 61.559 -9.854 -12.281 1.00 1.00 H new ATOM 261 N GLU A 20 55.950 -10.192 -13.510 1.00 1.00 N ATOM 262 CA GLU A 20 55.132 -11.399 -13.538 1.00 1.00 C ATOM 263 C GLU A 20 55.664 -12.384 -14.575 1.00 1.00 C ATOM 264 O GLU A 20 54.971 -13.325 -14.963 1.00 1.00 O ATOM 265 CB GLU A 20 53.685 -11.034 -13.871 1.00 1.00 C ATOM 266 CG GLU A 20 52.752 -12.138 -13.372 1.00 1.00 C ATOM 267 CD GLU A 20 52.227 -11.789 -11.983 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.036 -11.459 -11.131 1.00 1.00 O ATOM 269 OE2 GLU A 20 51.024 -11.858 -11.791 1.00 1.00 O ATOM 0 H GLU A 20 55.508 -9.369 -13.920 1.00 1.00 H new ATOM 0 HA GLU A 20 55.173 -11.870 -12.556 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.422 -10.084 -13.406 1.00 1.00 H new ATOM 0 HB3 GLU A 20 53.570 -10.905 -14.947 1.00 1.00 H new ATOM 0 HG2 GLU A 20 51.919 -12.262 -14.064 1.00 1.00 H new ATOM 0 HG3 GLU A 20 53.284 -13.089 -13.340 1.00 1.00 H new ATOM 276 N TYR A 21 56.898 -12.160 -15.017 1.00 1.00 N ATOM 277 CA TYR A 21 57.514 -13.035 -16.009 1.00 1.00 C ATOM 278 C TYR A 21 58.524 -13.969 -15.348 1.00 1.00 C ATOM 279 O TYR A 21 59.022 -14.904 -15.974 1.00 1.00 O ATOM 280 CB TYR A 21 58.217 -12.197 -17.078 1.00 1.00 C ATOM 281 CG TYR A 21 59.697 -12.493 -17.057 1.00 1.00 C ATOM 282 CD1 TYR A 21 60.548 -11.742 -16.236 1.00 1.00 C ATOM 283 CD2 TYR A 21 60.219 -13.516 -17.856 1.00 1.00 C ATOM 284 CE1 TYR A 21 61.921 -12.016 -16.216 1.00 1.00 C ATOM 285 CE2 TYR A 21 61.592 -13.790 -17.836 1.00 1.00 C ATOM 286 CZ TYR A 21 62.443 -13.040 -17.015 1.00 1.00 C ATOM 287 OH TYR A 21 63.796 -13.310 -16.994 1.00 1.00 O ATOM 0 H TYR A 21 57.487 -11.387 -14.707 1.00 1.00 H new ATOM 0 HA TYR A 21 56.731 -13.635 -16.473 1.00 1.00 H new ATOM 0 HB2 TYR A 21 57.804 -12.422 -18.061 1.00 1.00 H new ATOM 0 HB3 TYR A 21 58.045 -11.136 -16.895 1.00 1.00 H new ATOM 0 HD1 TYR A 21 60.145 -10.952 -15.619 1.00 1.00 H new ATOM 0 HD2 TYR A 21 59.562 -14.095 -18.489 1.00 1.00 H new ATOM 0 HE1 TYR A 21 62.578 -11.437 -15.584 1.00 1.00 H new ATOM 0 HE2 TYR A 21 61.994 -14.579 -18.453 1.00 1.00 H new ATOM 0 HH TYR A 21 63.991 -14.051 -17.605 1.00 1.00 H new ATOM 297 N THR A 22 58.820 -13.708 -14.078 1.00 1.00 N ATOM 298 CA THR A 22 59.772 -14.533 -13.343 1.00 1.00 C ATOM 299 C THR A 22 59.462 -14.515 -11.852 1.00 1.00 C ATOM 300 O THR A 22 59.621 -15.521 -11.162 1.00 1.00 O ATOM 301 CB THR A 22 61.196 -14.022 -13.577 1.00 1.00 C ATOM 302 OG1 THR A 22 61.611 -14.367 -14.892 1.00 1.00 O ATOM 303 CG2 THR A 22 62.143 -14.658 -12.559 1.00 1.00 C ATOM 0 H THR A 22 58.419 -12.939 -13.541 1.00 1.00 H new ATOM 0 HA THR A 22 59.689 -15.558 -13.705 1.00 1.00 H new ATOM 0 HB THR A 22 61.217 -12.938 -13.461 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.362 -13.650 -15.512 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.156 -14.293 -12.727 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.825 -14.393 -11.551 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.124 -15.742 -12.672 1.00 1.00 H new ATOM 311 N ASP A 23 59.020 -13.366 -11.361 1.00 1.00 N ATOM 312 CA ASP A 23 58.691 -13.226 -9.950 1.00 1.00 C ATOM 313 C ASP A 23 57.245 -13.634 -9.695 1.00 1.00 C ATOM 314 O ASP A 23 56.633 -13.213 -8.714 1.00 1.00 O ATOM 315 CB ASP A 23 58.903 -11.778 -9.518 1.00 1.00 C ATOM 316 CG ASP A 23 59.127 -11.709 -8.011 1.00 1.00 C ATOM 317 OD1 ASP A 23 58.644 -12.591 -7.319 1.00 1.00 O ATOM 318 OD2 ASP A 23 59.778 -10.776 -7.571 1.00 1.00 O ATOM 0 H ASP A 23 58.881 -12.521 -11.916 1.00 1.00 H new ATOM 0 HA ASP A 23 59.343 -13.879 -9.370 1.00 1.00 H new ATOM 0 HB2 ASP A 23 59.761 -11.356 -10.041 1.00 1.00 H new ATOM 0 HB3 ASP A 23 58.036 -11.178 -9.793 1.00 1.00 H new ATOM 323 N TRP A 24 56.704 -14.458 -10.587 1.00 1.00 N ATOM 324 CA TRP A 24 55.328 -14.920 -10.452 1.00 1.00 C ATOM 325 C TRP A 24 55.275 -16.216 -9.649 1.00 1.00 C ATOM 326 O TRP A 24 54.199 -16.764 -9.409 1.00 1.00 O ATOM 327 CB TRP A 24 54.717 -15.149 -11.836 1.00 1.00 C ATOM 328 CG TRP A 24 55.129 -16.493 -12.344 1.00 1.00 C ATOM 329 CD1 TRP A 24 56.281 -16.754 -13.003 1.00 1.00 C ATOM 330 CD2 TRP A 24 54.416 -17.759 -12.248 1.00 1.00 C ATOM 331 NE1 TRP A 24 56.321 -18.101 -13.318 1.00 1.00 N ATOM 332 CE2 TRP A 24 55.194 -18.763 -12.873 1.00 1.00 C ATOM 333 CE3 TRP A 24 53.181 -18.132 -11.685 1.00 1.00 C ATOM 334 CZ2 TRP A 24 54.763 -20.088 -12.937 1.00 1.00 C ATOM 335 CZ3 TRP A 24 52.745 -19.465 -11.748 1.00 1.00 C ATOM 336 CH2 TRP A 24 53.534 -20.442 -12.373 1.00 1.00 C ATOM 0 H TRP A 24 57.194 -14.817 -11.406 1.00 1.00 H new ATOM 0 HA TRP A 24 54.757 -14.156 -9.925 1.00 1.00 H new ATOM 0 HB2 TRP A 24 53.630 -15.086 -11.781 1.00 1.00 H new ATOM 0 HB3 TRP A 24 55.047 -14.371 -12.525 1.00 1.00 H new ATOM 0 HD1 TRP A 24 57.045 -16.030 -13.244 1.00 1.00 H new ATOM 0 HE1 TRP A 24 57.089 -18.550 -13.818 1.00 1.00 H new ATOM 0 HE3 TRP A 24 52.565 -17.388 -11.202 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 55.375 -20.836 -13.419 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 51.796 -19.740 -11.312 1.00 1.00 H new ATOM 0 HH2 TRP A 24 53.193 -21.466 -12.418 1.00 1.00 H new ATOM 347 N LYS A 25 56.443 -16.700 -9.239 1.00 1.00 N ATOM 348 CA LYS A 25 56.519 -17.934 -8.463 1.00 1.00 C ATOM 349 C LYS A 25 57.497 -17.779 -7.303 1.00 1.00 C ATOM 350 O LYS A 25 57.963 -18.767 -6.735 1.00 1.00 O ATOM 351 CB LYS A 25 56.961 -19.097 -9.358 1.00 1.00 C ATOM 352 CG LYS A 25 57.997 -18.614 -10.378 1.00 1.00 C ATOM 353 CD LYS A 25 59.209 -18.030 -9.647 1.00 1.00 C ATOM 354 CE LYS A 25 60.407 -17.992 -10.597 1.00 1.00 C ATOM 355 NZ LYS A 25 61.342 -16.913 -10.172 1.00 1.00 N ATOM 0 H LYS A 25 57.344 -16.261 -9.429 1.00 1.00 H new ATOM 0 HA LYS A 25 55.528 -18.147 -8.062 1.00 1.00 H new ATOM 0 HB2 LYS A 25 57.385 -19.895 -8.748 1.00 1.00 H new ATOM 0 HB3 LYS A 25 56.098 -19.516 -9.875 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.309 -19.442 -11.014 1.00 1.00 H new ATOM 0 HG3 LYS A 25 57.556 -17.860 -11.030 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.982 -17.025 -9.290 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.445 -18.634 -8.771 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.919 -18.954 -10.593 1.00 1.00 H new ATOM 0 HE3 LYS A 25 60.070 -17.815 -11.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.275 -17.072 -10.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.971 -15.991 -10.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.434 -16.921 -9.136 1.00 1.00 H new ATOM 369 N SER A 26 57.804 -16.532 -6.957 1.00 1.00 N ATOM 370 CA SER A 26 58.728 -16.257 -5.862 1.00 1.00 C ATOM 371 C SER A 26 58.187 -15.142 -4.974 1.00 1.00 C ATOM 372 O SER A 26 57.240 -15.344 -4.215 1.00 1.00 O ATOM 373 CB SER A 26 60.093 -15.852 -6.421 1.00 1.00 C ATOM 374 OG SER A 26 60.917 -15.393 -5.357 1.00 1.00 O ATOM 0 H SER A 26 57.429 -15.701 -7.416 1.00 1.00 H new ATOM 0 HA SER A 26 58.835 -17.162 -5.264 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.561 -16.701 -6.919 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.975 -15.068 -7.169 1.00 1.00 H new ATOM 0 HG SER A 26 61.794 -15.134 -5.710 1.00 1.00 H new ATOM 380 N SER A 27 58.793 -13.963 -5.075 1.00 1.00 N ATOM 381 CA SER A 27 58.361 -12.823 -4.276 1.00 1.00 C ATOM 382 C SER A 27 57.062 -12.244 -4.829 1.00 1.00 C ATOM 383 O SER A 27 56.813 -11.043 -4.725 1.00 1.00 O ATOM 384 CB SER A 27 59.444 -11.745 -4.275 1.00 1.00 C ATOM 385 OG SER A 27 59.053 -10.687 -3.410 1.00 1.00 O ATOM 0 H SER A 27 59.579 -13.773 -5.697 1.00 1.00 H new ATOM 0 HA SER A 27 58.188 -13.163 -3.255 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.393 -12.167 -3.946 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.597 -11.366 -5.286 1.00 1.00 H new ATOM 0 HG SER A 27 58.139 -10.407 -3.627 1.00 1.00 H new ATOM 391 N GLY A 28 56.240 -13.106 -5.416 1.00 1.00 N ATOM 392 CA GLY A 28 54.968 -12.672 -5.983 1.00 1.00 C ATOM 393 C GLY A 28 53.931 -13.786 -5.902 1.00 1.00 C ATOM 394 O GLY A 28 53.058 -13.899 -6.763 1.00 1.00 O ATOM 0 H GLY A 28 56.429 -14.104 -5.512 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.607 -11.794 -5.448 1.00 1.00 H new ATOM 0 HA3 GLY A 28 55.110 -12.376 -7.022 1.00 1.00 H new ATOM 398 N ALA A 29 54.035 -14.608 -4.863 1.00 1.00 N ATOM 399 CA ALA A 29 53.101 -15.713 -4.679 1.00 1.00 C ATOM 400 C ALA A 29 52.823 -15.936 -3.196 1.00 1.00 C ATOM 401 O ALA A 29 51.936 -16.709 -2.831 1.00 1.00 O ATOM 402 CB ALA A 29 53.679 -16.992 -5.289 1.00 1.00 C ATOM 0 H ALA A 29 54.751 -14.531 -4.141 1.00 1.00 H new ATOM 0 HA ALA A 29 52.166 -15.462 -5.180 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.976 -17.813 -5.148 1.00 1.00 H new ATOM 0 HB2 ALA A 29 53.851 -16.841 -6.355 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.622 -17.234 -4.800 1.00 1.00 H new ATOM 408 N LEU A 30 53.587 -15.253 -2.348 1.00 1.00 N ATOM 409 CA LEU A 30 53.419 -15.377 -0.905 1.00 1.00 C ATOM 410 C LEU A 30 53.340 -13.999 -0.257 1.00 1.00 C ATOM 411 O LEU A 30 52.901 -13.862 0.884 1.00 1.00 O ATOM 412 CB LEU A 30 54.590 -16.160 -0.308 1.00 1.00 C ATOM 413 CG LEU A 30 54.809 -17.443 -1.110 1.00 1.00 C ATOM 414 CD1 LEU A 30 55.908 -17.216 -2.149 1.00 1.00 C ATOM 415 CD2 LEU A 30 55.229 -18.570 -0.163 1.00 1.00 C ATOM 0 H LEU A 30 54.326 -14.611 -2.635 1.00 1.00 H new ATOM 0 HA LEU A 30 52.490 -15.912 -0.709 1.00 1.00 H new ATOM 0 HB2 LEU A 30 55.494 -15.551 -0.323 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.386 -16.401 0.735 1.00 1.00 H new ATOM 0 HG LEU A 30 53.883 -17.717 -1.615 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.063 -18.131 -2.720 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.611 -16.413 -2.824 1.00 1.00 H new ATOM 0 HD13 LEU A 30 56.834 -16.941 -1.645 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.385 -19.485 -0.734 1.00 1.00 H new ATOM 0 HD22 LEU A 30 56.155 -18.295 0.342 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.446 -18.734 0.578 1.00 1.00 H new ATOM 427 N ILE A 31 53.766 -12.980 -0.996 1.00 1.00 N ATOM 428 CA ILE A 31 53.736 -11.615 -0.486 1.00 1.00 C ATOM 429 C ILE A 31 52.323 -11.022 -0.557 1.00 1.00 C ATOM 430 O ILE A 31 51.938 -10.245 0.317 1.00 1.00 O ATOM 431 CB ILE A 31 54.725 -10.738 -1.268 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.103 -10.825 -0.608 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.257 -9.279 -1.265 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.533 -12.290 -0.517 1.00 1.00 C ATOM 0 H ILE A 31 54.133 -13.072 -1.943 1.00 1.00 H new ATOM 0 HA ILE A 31 54.033 -11.639 0.562 1.00 1.00 H new ATOM 0 HB ILE A 31 54.778 -11.092 -2.297 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.831 -10.256 -1.186 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.070 -10.382 0.387 1.00 1.00 H new ATOM 0 HG21 ILE A 31 54.967 -8.668 -1.823 1.00 1.00 H new ATOM 0 HG22 ILE A 31 53.274 -9.211 -1.732 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.196 -8.918 -0.238 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.514 -12.353 -0.047 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.809 -12.845 0.079 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.582 -12.718 -1.518 1.00 1.00 H new ATOM 446 N PRO A 32 51.543 -11.356 -1.562 1.00 1.00 N ATOM 447 CA PRO A 32 50.165 -10.827 -1.706 1.00 1.00 C ATOM 448 C PRO A 32 49.139 -11.683 -0.966 1.00 1.00 C ATOM 449 O PRO A 32 47.955 -11.682 -1.304 1.00 1.00 O ATOM 450 CB PRO A 32 49.932 -10.874 -3.214 1.00 1.00 C ATOM 451 CG PRO A 32 50.785 -11.996 -3.721 1.00 1.00 C ATOM 452 CD PRO A 32 51.871 -12.268 -2.670 1.00 1.00 C ATOM 0 HA PRO A 32 50.055 -9.830 -1.279 1.00 1.00 H new ATOM 0 HB2 PRO A 32 48.880 -11.048 -3.442 1.00 1.00 H new ATOM 0 HB3 PRO A 32 50.208 -9.929 -3.683 1.00 1.00 H new ATOM 0 HG2 PRO A 32 50.183 -12.889 -3.889 1.00 1.00 H new ATOM 0 HG3 PRO A 32 51.236 -11.732 -4.677 1.00 1.00 H new ATOM 0 HD2 PRO A 32 51.858 -13.308 -2.345 1.00 1.00 H new ATOM 0 HD3 PRO A 32 52.867 -12.070 -3.067 1.00 1.00 H new ATOM 460 N ALA A 33 49.604 -12.413 0.043 1.00 1.00 N ATOM 461 CA ALA A 33 48.720 -13.272 0.823 1.00 1.00 C ATOM 462 C ALA A 33 49.034 -13.158 2.311 1.00 1.00 C ATOM 463 O ALA A 33 48.537 -13.941 3.121 1.00 1.00 O ATOM 464 CB ALA A 33 48.881 -14.726 0.376 1.00 1.00 C ATOM 0 H ALA A 33 50.580 -12.427 0.338 1.00 1.00 H new ATOM 0 HA ALA A 33 47.692 -12.950 0.656 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.218 -15.362 0.962 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.626 -14.812 -0.680 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.914 -15.041 0.527 1.00 1.00 H new ATOM 470 N ILE A 34 49.862 -12.180 2.666 1.00 1.00 N ATOM 471 CA ILE A 34 50.235 -11.975 4.061 1.00 1.00 C ATOM 472 C ILE A 34 50.355 -10.487 4.371 1.00 1.00 C ATOM 473 O ILE A 34 49.872 -10.017 5.402 1.00 1.00 O ATOM 474 CB ILE A 34 51.566 -12.669 4.355 1.00 1.00 C ATOM 475 CG1 ILE A 34 51.531 -14.096 3.801 1.00 1.00 C ATOM 476 CG2 ILE A 34 51.796 -12.716 5.866 1.00 1.00 C ATOM 477 CD1 ILE A 34 52.818 -14.827 4.187 1.00 1.00 C ATOM 0 H ILE A 34 50.285 -11.521 2.012 1.00 1.00 H new ATOM 0 HA ILE A 34 49.456 -12.404 4.691 1.00 1.00 H new ATOM 0 HB ILE A 34 52.376 -12.114 3.882 1.00 1.00 H new ATOM 0 HG12 ILE A 34 50.666 -14.629 4.195 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.425 -14.074 2.716 1.00 1.00 H new ATOM 0 HG21 ILE A 34 52.745 -13.211 6.074 1.00 1.00 H new ATOM 0 HG22 ILE A 34 51.822 -11.701 6.262 1.00 1.00 H new ATOM 0 HG23 ILE A 34 50.986 -13.270 6.340 1.00 1.00 H new ATOM 0 HD11 ILE A 34 52.792 -15.843 3.792 1.00 1.00 H new ATOM 0 HD12 ILE A 34 53.676 -14.298 3.771 1.00 1.00 H new ATOM 0 HD13 ILE A 34 52.905 -14.862 5.273 1.00 1.00 H new ATOM 489 N TYR A 35 51.000 -9.748 3.474 1.00 1.00 N ATOM 490 CA TYR A 35 51.176 -8.313 3.667 1.00 1.00 C ATOM 491 C TYR A 35 49.840 -7.588 3.535 1.00 1.00 C ATOM 492 O TYR A 35 49.790 -6.359 3.524 1.00 1.00 O ATOM 493 CB TYR A 35 52.162 -7.763 2.634 1.00 1.00 C ATOM 494 CG TYR A 35 53.386 -7.232 3.342 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.400 -8.111 3.740 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.505 -5.861 3.601 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.533 -7.619 4.398 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.639 -5.370 4.258 1.00 1.00 C ATOM 499 CZ TYR A 35 55.654 -6.248 4.657 1.00 1.00 C ATOM 500 OH TYR A 35 56.771 -5.764 5.305 1.00 1.00 O ATOM 0 H TYR A 35 51.406 -10.115 2.613 1.00 1.00 H new ATOM 0 HA TYR A 35 51.571 -8.146 4.669 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.446 -8.547 1.932 1.00 1.00 H new ATOM 0 HB3 TYR A 35 51.692 -6.970 2.053 1.00 1.00 H new ATOM 0 HD1 TYR A 35 54.308 -9.168 3.539 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.722 -5.183 3.294 1.00 1.00 H new ATOM 0 HE1 TYR A 35 56.315 -8.297 4.706 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.731 -4.313 4.457 1.00 1.00 H new ATOM 0 HH TYR A 35 56.696 -4.792 5.404 1.00 1.00 H new ATOM 510 N MET A 36 48.762 -8.361 3.436 1.00 1.00 N ATOM 511 CA MET A 36 47.429 -7.785 3.307 1.00 1.00 C ATOM 512 C MET A 36 46.666 -7.900 4.623 1.00 1.00 C ATOM 513 O MET A 36 46.187 -6.904 5.163 1.00 1.00 O ATOM 514 CB MET A 36 46.655 -8.505 2.201 1.00 1.00 C ATOM 515 CG MET A 36 47.355 -8.283 0.859 1.00 1.00 C ATOM 516 SD MET A 36 47.004 -6.609 0.266 1.00 1.00 S ATOM 517 CE MET A 36 48.552 -6.359 -0.638 1.00 1.00 C ATOM 0 H MET A 36 48.786 -9.381 3.443 1.00 1.00 H new ATOM 0 HA MET A 36 47.532 -6.730 3.051 1.00 1.00 H new ATOM 0 HB2 MET A 36 46.595 -9.571 2.420 1.00 1.00 H new ATOM 0 HB3 MET A 36 45.632 -8.131 2.156 1.00 1.00 H new ATOM 0 HG2 MET A 36 48.430 -8.423 0.970 1.00 1.00 H new ATOM 0 HG3 MET A 36 47.011 -9.018 0.131 1.00 1.00 H new ATOM 0 HE1 MET A 36 48.551 -5.369 -1.094 1.00 1.00 H new ATOM 0 HE2 MET A 36 49.393 -6.441 0.051 1.00 1.00 H new ATOM 0 HE3 MET A 36 48.645 -7.117 -1.416 1.00 1.00 H new ATOM 527 N LEU A 37 46.561 -9.122 5.134 1.00 1.00 N ATOM 528 CA LEU A 37 45.855 -9.356 6.389 1.00 1.00 C ATOM 529 C LEU A 37 46.761 -9.046 7.577 1.00 1.00 C ATOM 530 O LEU A 37 46.497 -9.476 8.700 1.00 1.00 O ATOM 531 CB LEU A 37 45.393 -10.813 6.466 1.00 1.00 C ATOM 532 CG LEU A 37 46.461 -11.722 5.856 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.513 -13.041 6.631 1.00 1.00 C ATOM 534 CD2 LEU A 37 46.115 -12.004 4.393 1.00 1.00 C ATOM 0 H LEU A 37 46.952 -9.960 4.703 1.00 1.00 H new ATOM 0 HA LEU A 37 44.987 -8.698 6.424 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.212 -11.093 7.504 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.450 -10.935 5.933 1.00 1.00 H new ATOM 0 HG LEU A 37 47.432 -11.230 5.912 1.00 1.00 H new ATOM 0 HD11 LEU A 37 47.274 -13.689 6.196 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.759 -12.841 7.674 1.00 1.00 H new ATOM 0 HD13 LEU A 37 45.542 -13.534 6.576 1.00 1.00 H new ATOM 0 HD21 LEU A 37 46.876 -12.652 3.958 1.00 1.00 H new ATOM 0 HD22 LEU A 37 45.144 -12.496 4.337 1.00 1.00 H new ATOM 0 HD23 LEU A 37 46.078 -11.065 3.840 1.00 1.00 H new ATOM 546 N VAL A 38 47.829 -8.297 7.320 1.00 1.00 N ATOM 547 CA VAL A 38 48.769 -7.933 8.375 1.00 1.00 C ATOM 548 C VAL A 38 49.138 -6.456 8.276 1.00 1.00 C ATOM 549 O VAL A 38 48.844 -5.671 9.177 1.00 1.00 O ATOM 550 CB VAL A 38 50.034 -8.784 8.263 1.00 1.00 C ATOM 551 CG1 VAL A 38 51.008 -8.403 9.379 1.00 1.00 C ATOM 552 CG2 VAL A 38 49.666 -10.264 8.394 1.00 1.00 C ATOM 0 H VAL A 38 48.064 -7.932 6.397 1.00 1.00 H new ATOM 0 HA VAL A 38 48.293 -8.114 9.339 1.00 1.00 H new ATOM 0 HB VAL A 38 50.504 -8.609 7.295 1.00 1.00 H new ATOM 0 HG11 VAL A 38 51.909 -9.010 9.298 1.00 1.00 H new ATOM 0 HG12 VAL A 38 51.271 -7.349 9.288 1.00 1.00 H new ATOM 0 HG13 VAL A 38 50.538 -8.578 10.347 1.00 1.00 H new ATOM 0 HG21 VAL A 38 50.567 -10.872 8.314 1.00 1.00 H new ATOM 0 HG22 VAL A 38 49.196 -10.438 9.362 1.00 1.00 H new ATOM 0 HG23 VAL A 38 48.972 -10.538 7.599 1.00 1.00 H new ATOM 562 N PHE A 39 49.783 -6.085 7.173 1.00 1.00 N ATOM 563 CA PHE A 39 50.187 -4.700 6.967 1.00 1.00 C ATOM 564 C PHE A 39 49.031 -3.753 7.275 1.00 1.00 C ATOM 565 O PHE A 39 49.234 -2.556 7.477 1.00 1.00 O ATOM 566 CB PHE A 39 50.643 -4.499 5.521 1.00 1.00 C ATOM 567 CG PHE A 39 51.493 -3.254 5.427 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.805 -3.265 5.915 1.00 1.00 C ATOM 569 CD2 PHE A 39 50.969 -2.091 4.851 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.594 -2.112 5.827 1.00 1.00 C ATOM 571 CE2 PHE A 39 51.758 -0.937 4.764 1.00 1.00 C ATOM 572 CZ PHE A 39 53.070 -0.948 5.251 1.00 1.00 C ATOM 0 H PHE A 39 50.035 -6.719 6.415 1.00 1.00 H new ATOM 0 HA PHE A 39 51.013 -4.478 7.642 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.211 -5.366 5.184 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.777 -4.411 4.865 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.208 -4.163 6.359 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.957 -2.083 4.474 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.606 -2.120 6.203 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.354 -0.039 4.321 1.00 1.00 H new ATOM 0 HZ PHE A 39 53.679 -0.058 5.183 1.00 1.00 H new ATOM 582 N LEU A 40 47.819 -4.299 7.307 1.00 1.00 N ATOM 583 CA LEU A 40 46.636 -3.495 7.590 1.00 1.00 C ATOM 584 C LEU A 40 45.722 -4.215 8.577 1.00 1.00 C ATOM 585 O LEU A 40 44.510 -4.288 8.377 1.00 1.00 O ATOM 586 CB LEU A 40 45.873 -3.217 6.293 1.00 1.00 C ATOM 587 CG LEU A 40 46.605 -2.141 5.490 1.00 1.00 C ATOM 588 CD1 LEU A 40 46.532 -2.475 4.000 1.00 1.00 C ATOM 589 CD2 LEU A 40 45.946 -0.783 5.740 1.00 1.00 C ATOM 0 H LEU A 40 47.631 -5.288 7.142 1.00 1.00 H new ATOM 0 HA LEU A 40 46.957 -2.552 8.032 1.00 1.00 H new ATOM 0 HB2 LEU A 40 45.790 -4.131 5.705 1.00 1.00 H new ATOM 0 HB3 LEU A 40 44.858 -2.890 6.519 1.00 1.00 H new ATOM 0 HG LEU A 40 47.649 -2.103 5.802 1.00 1.00 H new ATOM 0 HD11 LEU A 40 47.054 -1.707 3.429 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.001 -3.442 3.821 1.00 1.00 H new ATOM 0 HD13 LEU A 40 45.489 -2.514 3.687 1.00 1.00 H new ATOM 0 HD21 LEU A 40 46.467 -0.015 5.168 1.00 1.00 H new ATOM 0 HD22 LEU A 40 44.902 -0.822 5.428 1.00 1.00 H new ATOM 0 HD23 LEU A 40 45.999 -0.543 6.802 1.00 1.00 H new ATOM 601 N LEU A 41 46.313 -4.745 9.644 1.00 1.00 N ATOM 602 CA LEU A 41 45.541 -5.456 10.656 1.00 1.00 C ATOM 603 C LEU A 41 46.438 -5.857 11.825 1.00 1.00 C ATOM 604 O LEU A 41 46.233 -5.419 12.957 1.00 1.00 O ATOM 605 CB LEU A 41 44.900 -6.706 10.035 1.00 1.00 C ATOM 606 CG LEU A 41 44.289 -7.595 11.127 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.402 -6.755 12.050 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.440 -8.686 10.470 1.00 1.00 C ATOM 0 H LEU A 41 47.315 -4.696 9.829 1.00 1.00 H new ATOM 0 HA LEU A 41 44.757 -4.796 11.029 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.128 -6.411 9.324 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.650 -7.268 9.478 1.00 1.00 H new ATOM 0 HG LEU A 41 45.090 -8.047 11.712 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.972 -7.394 12.822 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.001 -5.973 12.517 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.600 -6.299 11.469 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.003 -9.321 11.241 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.644 -8.225 9.886 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.068 -9.290 9.815 1.00 1.00 H new ATOM 620 N GLY A 42 47.433 -6.692 11.541 1.00 1.00 N ATOM 621 CA GLY A 42 48.355 -7.146 12.575 1.00 1.00 C ATOM 622 C GLY A 42 49.006 -5.965 13.288 1.00 1.00 C ATOM 623 O GLY A 42 49.667 -6.135 14.313 1.00 1.00 O ATOM 0 H GLY A 42 47.620 -7.065 10.610 1.00 1.00 H new ATOM 0 HA2 GLY A 42 47.820 -7.762 13.298 1.00 1.00 H new ATOM 0 HA3 GLY A 42 49.125 -7.775 12.129 1.00 1.00 H new ATOM 627 N THR A 43 48.818 -4.769 12.740 1.00 1.00 N ATOM 628 CA THR A 43 49.395 -3.569 13.336 1.00 1.00 C ATOM 629 C THR A 43 48.477 -2.370 13.128 1.00 1.00 C ATOM 630 O THR A 43 47.479 -2.211 13.829 1.00 1.00 O ATOM 631 CB THR A 43 50.762 -3.282 12.713 1.00 1.00 C ATOM 632 OG1 THR A 43 51.156 -1.955 13.029 1.00 1.00 O ATOM 633 CG2 THR A 43 50.677 -3.444 11.194 1.00 1.00 C ATOM 0 H THR A 43 48.276 -4.605 11.892 1.00 1.00 H new ATOM 0 HA THR A 43 49.512 -3.739 14.406 1.00 1.00 H new ATOM 0 HB THR A 43 51.497 -3.983 13.110 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.033 -1.771 12.632 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.652 -3.239 10.751 1.00 1.00 H new ATOM 0 HG22 THR A 43 50.376 -4.464 10.953 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.943 -2.745 10.794 1.00 1.00 H new ATOM 641 N THR A 44 48.825 -1.526 12.162 1.00 1.00 N ATOM 642 CA THR A 44 48.026 -0.341 11.871 1.00 1.00 C ATOM 643 C THR A 44 48.038 0.618 13.057 1.00 1.00 C ATOM 644 O THR A 44 47.472 1.709 12.991 1.00 1.00 O ATOM 645 CB THR A 44 46.583 -0.744 11.554 1.00 1.00 C ATOM 646 OG1 THR A 44 45.849 -0.860 12.765 1.00 1.00 O ATOM 647 CG2 THR A 44 46.573 -2.085 10.820 1.00 1.00 C ATOM 0 H THR A 44 49.649 -1.639 11.571 1.00 1.00 H new ATOM 0 HA THR A 44 48.460 0.161 11.006 1.00 1.00 H new ATOM 0 HB THR A 44 46.125 0.016 10.921 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.470 -0.977 13.514 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.545 -2.369 10.596 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.136 -1.995 9.891 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.031 -2.848 11.450 1.00 1.00 H new ATOM 655 N GLY A 45 48.688 0.204 14.141 1.00 1.00 N ATOM 656 CA GLY A 45 48.767 1.035 15.337 1.00 1.00 C ATOM 657 C GLY A 45 47.697 0.638 16.348 1.00 1.00 C ATOM 658 O GLY A 45 47.540 1.285 17.383 1.00 1.00 O ATOM 0 H GLY A 45 49.164 -0.695 14.216 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.754 0.936 15.789 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.645 2.083 15.065 1.00 1.00 H new ATOM 662 N ASN A 46 46.968 -0.430 16.044 1.00 1.00 N ATOM 663 CA ASN A 46 45.919 -0.901 16.941 1.00 1.00 C ATOM 664 C ASN A 46 46.450 -2.018 17.833 1.00 1.00 C ATOM 665 O ASN A 46 46.173 -2.052 19.032 1.00 1.00 O ATOM 666 CB ASN A 46 44.724 -1.411 16.134 1.00 1.00 C ATOM 667 CG ASN A 46 44.988 -2.833 15.652 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.935 -3.777 16.441 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.278 -3.044 14.397 1.00 1.00 N ATOM 0 H ASN A 46 47.082 -0.981 15.193 1.00 1.00 H new ATOM 0 HA ASN A 46 45.598 -0.068 17.566 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.824 -1.388 16.748 1.00 1.00 H new ATOM 0 HB3 ASN A 46 44.545 -0.757 15.281 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.461 -3.992 14.068 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.321 -2.261 13.745 1.00 1.00 H new ATOM 676 N GLY A 47 47.223 -2.923 17.242 1.00 1.00 N ATOM 677 CA GLY A 47 47.799 -4.026 17.999 1.00 1.00 C ATOM 678 C GLY A 47 48.938 -3.514 18.864 1.00 1.00 C ATOM 679 O GLY A 47 49.371 -4.179 19.804 1.00 1.00 O ATOM 0 H GLY A 47 47.463 -2.915 16.251 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.035 -4.489 18.624 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.164 -4.795 17.319 1.00 1.00 H new ATOM 683 N LEU A 48 49.408 -2.315 18.536 1.00 1.00 N ATOM 684 CA LEU A 48 50.491 -1.692 19.281 1.00 1.00 C ATOM 685 C LEU A 48 49.954 -0.524 20.103 1.00 1.00 C ATOM 686 O LEU A 48 48.743 -0.344 20.223 1.00 1.00 O ATOM 687 CB LEU A 48 51.576 -1.186 18.324 1.00 1.00 C ATOM 688 CG LEU A 48 51.314 -1.707 16.908 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.410 -1.197 15.970 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.328 -3.239 16.914 1.00 1.00 C ATOM 0 H LEU A 48 49.055 -1.757 17.759 1.00 1.00 H new ATOM 0 HA LEU A 48 50.925 -2.437 19.948 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.590 -0.096 18.322 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.557 -1.517 18.666 1.00 1.00 H new ATOM 0 HG LEU A 48 50.342 -1.353 16.566 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.226 -1.566 14.961 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.406 -0.107 15.964 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.380 -1.554 16.316 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.141 -3.609 15.906 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.301 -3.593 17.256 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.552 -3.607 17.585 1.00 1.00 H new ATOM 702 N VAL A 49 50.862 0.268 20.659 1.00 1.00 N ATOM 703 CA VAL A 49 50.473 1.422 21.464 1.00 1.00 C ATOM 704 C VAL A 49 49.682 0.980 22.693 1.00 1.00 C ATOM 705 O VAL A 49 50.170 1.062 23.820 1.00 1.00 O ATOM 706 CB VAL A 49 49.629 2.390 20.627 1.00 1.00 C ATOM 707 CG1 VAL A 49 49.809 3.812 21.158 1.00 1.00 C ATOM 708 CG2 VAL A 49 50.079 2.336 19.164 1.00 1.00 C ATOM 0 H VAL A 49 51.869 0.135 20.569 1.00 1.00 H new ATOM 0 HA VAL A 49 51.380 1.929 21.795 1.00 1.00 H new ATOM 0 HB VAL A 49 48.580 2.103 20.694 1.00 1.00 H new ATOM 0 HG11 VAL A 49 49.209 4.501 20.563 1.00 1.00 H new ATOM 0 HG12 VAL A 49 49.487 3.855 22.198 1.00 1.00 H new ATOM 0 HG13 VAL A 49 50.860 4.095 21.091 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.477 3.025 18.572 1.00 1.00 H new ATOM 0 HG22 VAL A 49 51.129 2.621 19.096 1.00 1.00 H new ATOM 0 HG23 VAL A 49 49.952 1.323 18.781 1.00 1.00 H new ATOM 718 N LEU A 50 48.459 0.518 22.466 1.00 1.00 N ATOM 719 CA LEU A 50 47.599 0.067 23.554 1.00 1.00 C ATOM 720 C LEU A 50 48.169 -1.192 24.201 1.00 1.00 C ATOM 721 O LEU A 50 48.088 -1.369 25.416 1.00 1.00 O ATOM 722 CB LEU A 50 46.195 -0.214 23.009 1.00 1.00 C ATOM 723 CG LEU A 50 45.341 -0.896 24.080 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.939 -0.285 24.076 1.00 1.00 C ATOM 725 CD2 LEU A 50 45.241 -2.394 23.778 1.00 1.00 C ATOM 0 H LEU A 50 48.040 0.446 21.539 1.00 1.00 H new ATOM 0 HA LEU A 50 47.547 0.849 24.312 1.00 1.00 H new ATOM 0 HB2 LEU A 50 45.724 0.718 22.697 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.260 -0.849 22.126 1.00 1.00 H new ATOM 0 HG LEU A 50 45.801 -0.752 25.057 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.329 -0.769 24.838 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.006 0.782 24.289 1.00 1.00 H new ATOM 0 HD13 LEU A 50 43.481 -0.431 23.098 1.00 1.00 H new ATOM 0 HD21 LEU A 50 44.633 -2.879 24.541 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.780 -2.538 22.801 1.00 1.00 H new ATOM 0 HD23 LEU A 50 46.239 -2.832 23.777 1.00 1.00 H new ATOM 737 N TRP A 51 48.736 -2.064 23.380 1.00 1.00 N ATOM 738 CA TRP A 51 49.309 -3.310 23.877 1.00 1.00 C ATOM 739 C TRP A 51 50.067 -3.080 25.180 1.00 1.00 C ATOM 740 O TRP A 51 50.116 -3.958 26.042 1.00 1.00 O ATOM 741 CB TRP A 51 50.256 -3.900 22.831 1.00 1.00 C ATOM 742 CG TRP A 51 49.964 -5.356 22.658 1.00 1.00 C ATOM 743 CD1 TRP A 51 50.879 -6.347 22.764 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.695 -6.002 22.352 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.251 -7.560 22.544 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.904 -7.400 22.286 1.00 1.00 C ATOM 747 CE3 TRP A 51 47.394 -5.516 22.129 1.00 1.00 C ATOM 748 CZ2 TRP A 51 47.861 -8.284 22.007 1.00 1.00 C ATOM 749 CZ3 TRP A 51 46.342 -6.403 21.848 1.00 1.00 C ATOM 750 CH2 TRP A 51 46.575 -7.783 21.788 1.00 1.00 C ATOM 0 H TRP A 51 48.812 -1.934 22.371 1.00 1.00 H new ATOM 0 HA TRP A 51 48.494 -4.008 24.069 1.00 1.00 H new ATOM 0 HB2 TRP A 51 50.136 -3.379 21.881 1.00 1.00 H new ATOM 0 HB3 TRP A 51 51.291 -3.760 23.142 1.00 1.00 H new ATOM 0 HD1 TRP A 51 51.928 -6.213 22.984 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.725 -8.463 22.569 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.203 -4.454 22.174 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 48.046 -9.347 21.961 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 45.347 -6.019 21.677 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.761 -8.459 21.573 1.00 1.00 H new ATOM 761 N THR A 52 50.658 -1.899 25.321 1.00 1.00 N ATOM 762 CA THR A 52 51.411 -1.575 26.527 1.00 1.00 C ATOM 763 C THR A 52 50.470 -1.386 27.713 1.00 1.00 C ATOM 764 O THR A 52 50.879 -0.907 28.770 1.00 1.00 O ATOM 765 CB THR A 52 52.227 -0.300 26.310 1.00 1.00 C ATOM 766 OG1 THR A 52 53.284 -0.251 27.257 1.00 1.00 O ATOM 767 CG2 THR A 52 51.325 0.924 26.483 1.00 1.00 C ATOM 0 H THR A 52 50.631 -1.156 24.622 1.00 1.00 H new ATOM 0 HA THR A 52 52.086 -2.403 26.743 1.00 1.00 H new ATOM 0 HB THR A 52 52.641 -0.301 25.302 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.809 0.565 27.119 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.909 1.831 26.328 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.515 0.885 25.755 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.908 0.929 27.490 1.00 1.00 H new ATOM 775 N VAL A 53 49.210 -1.768 27.525 1.00 1.00 N ATOM 776 CA VAL A 53 48.209 -1.641 28.580 1.00 1.00 C ATOM 777 C VAL A 53 47.525 -2.982 28.825 1.00 1.00 C ATOM 778 O VAL A 53 46.931 -3.204 29.881 1.00 1.00 O ATOM 779 CB VAL A 53 47.162 -0.598 28.184 1.00 1.00 C ATOM 780 CG1 VAL A 53 46.131 -0.449 29.304 1.00 1.00 C ATOM 781 CG2 VAL A 53 47.851 0.747 27.943 1.00 1.00 C ATOM 0 H VAL A 53 48.858 -2.167 26.655 1.00 1.00 H new ATOM 0 HA VAL A 53 48.708 -1.324 29.496 1.00 1.00 H new ATOM 0 HB VAL A 53 46.658 -0.920 27.273 1.00 1.00 H new ATOM 0 HG11 VAL A 53 45.387 0.295 29.018 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.639 -1.406 29.475 1.00 1.00 H new ATOM 0 HG13 VAL A 53 46.631 -0.129 30.218 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.107 1.492 27.661 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.356 1.066 28.855 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.582 0.643 27.141 1.00 1.00 H new ATOM 791 N PHE A 54 47.616 -3.872 27.841 1.00 1.00 N ATOM 792 CA PHE A 54 47.006 -5.193 27.951 1.00 1.00 C ATOM 793 C PHE A 54 48.080 -6.269 28.083 1.00 1.00 C ATOM 794 O PHE A 54 47.770 -7.452 28.223 1.00 1.00 O ATOM 795 CB PHE A 54 46.152 -5.475 26.714 1.00 1.00 C ATOM 796 CG PHE A 54 44.689 -5.415 27.085 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.082 -4.179 27.344 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.939 -6.594 27.169 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.726 -4.123 27.686 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.583 -6.538 27.511 1.00 1.00 C ATOM 801 CZ PHE A 54 41.976 -5.303 27.770 1.00 1.00 C ATOM 0 H PHE A 54 48.104 -3.703 26.962 1.00 1.00 H new ATOM 0 HA PHE A 54 46.377 -5.211 28.841 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.370 -4.745 25.935 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.395 -6.457 26.308 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.661 -3.269 27.280 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.407 -7.547 26.970 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.258 -3.170 27.885 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.005 -7.448 27.575 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.930 -5.260 28.034 1.00 1.00 H new ATOM 811 N ARG A 55 49.341 -5.850 28.035 1.00 1.00 N ATOM 812 CA ARG A 55 50.454 -6.787 28.148 1.00 1.00 C ATOM 813 C ARG A 55 51.070 -6.725 29.542 1.00 1.00 C ATOM 814 O ARG A 55 50.923 -7.655 30.336 1.00 1.00 O ATOM 815 CB ARG A 55 51.519 -6.465 27.096 1.00 1.00 C ATOM 816 CG ARG A 55 52.344 -7.723 26.802 1.00 1.00 C ATOM 817 CD ARG A 55 51.758 -8.478 25.601 1.00 1.00 C ATOM 818 NE ARG A 55 50.425 -8.998 25.919 1.00 1.00 N ATOM 819 CZ ARG A 55 49.306 -8.377 25.560 1.00 1.00 C ATOM 820 NH1 ARG A 55 49.365 -7.243 24.918 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.147 -8.903 25.851 1.00 1.00 N ATOM 0 H ARG A 55 49.617 -4.875 27.919 1.00 1.00 H new ATOM 0 HA ARG A 55 50.074 -7.795 27.979 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.046 -6.106 26.182 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.169 -5.666 27.454 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.379 -7.448 26.597 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.354 -8.372 27.678 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.699 -7.812 24.740 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.418 -9.300 25.324 1.00 1.00 H new ATOM 0 HE ARG A 55 50.353 -9.873 26.438 1.00 1.00 H new ATOM 0 HH11 ARG A 55 50.270 -6.832 24.691 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.506 -6.767 24.643 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.101 -9.790 26.353 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.288 -8.427 25.576 1.00 1.00 H new ATOM 835 N LYS A 56 51.761 -5.628 29.837 1.00 1.00 N ATOM 836 CA LYS A 56 52.393 -5.467 31.142 1.00 1.00 C ATOM 837 C LYS A 56 51.343 -5.453 32.248 1.00 1.00 C ATOM 838 O LYS A 56 51.476 -6.151 33.252 1.00 1.00 O ATOM 839 CB LYS A 56 53.197 -4.165 31.181 1.00 1.00 C ATOM 840 CG LYS A 56 54.309 -4.215 30.131 1.00 1.00 C ATOM 841 CD LYS A 56 54.015 -3.195 29.030 1.00 1.00 C ATOM 842 CE LYS A 56 54.145 -1.780 29.594 1.00 1.00 C ATOM 843 NZ LYS A 56 55.289 -1.086 28.938 1.00 1.00 N ATOM 0 H LYS A 56 51.897 -4.845 29.198 1.00 1.00 H new ATOM 0 HA LYS A 56 53.064 -6.310 31.304 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.541 -3.315 30.990 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.626 -4.020 32.173 1.00 1.00 H new ATOM 0 HG2 LYS A 56 55.272 -3.999 30.594 1.00 1.00 H new ATOM 0 HG3 LYS A 56 54.378 -5.216 29.705 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.708 -3.331 28.200 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.011 -3.349 28.636 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.223 -1.224 29.425 1.00 1.00 H new ATOM 0 HE3 LYS A 56 54.300 -1.820 30.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 55.692 -0.386 29.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.018 -1.783 28.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.956 -0.605 28.078 1.00 1.00 H new ATOM 857 N LYS A 57 50.301 -4.651 32.057 1.00 1.00 N ATOM 858 CA LYS A 57 49.234 -4.554 33.046 1.00 1.00 C ATOM 859 C LYS A 57 48.251 -5.710 32.891 1.00 1.00 C ATOM 860 O LYS A 57 47.400 -5.934 33.752 1.00 1.00 O ATOM 861 CB LYS A 57 48.492 -3.226 32.887 1.00 1.00 C ATOM 862 CG LYS A 57 49.497 -2.113 32.578 1.00 1.00 C ATOM 863 CD LYS A 57 50.605 -2.118 33.634 1.00 1.00 C ATOM 864 CE LYS A 57 51.374 -0.796 33.573 1.00 1.00 C ATOM 865 NZ LYS A 57 52.655 -0.934 34.320 1.00 1.00 N ATOM 0 H LYS A 57 50.173 -4.063 31.233 1.00 1.00 H new ATOM 0 HA LYS A 57 49.681 -4.603 34.039 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.758 -3.301 32.084 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.944 -2.992 33.799 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.925 -2.260 31.586 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.994 -1.146 32.568 1.00 1.00 H new ATOM 0 HD2 LYS A 57 50.176 -2.256 34.626 1.00 1.00 H new ATOM 0 HD3 LYS A 57 51.283 -2.954 33.461 1.00 1.00 H new ATOM 0 HE2 LYS A 57 51.572 -0.525 32.536 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.774 0.006 34.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 53.179 -0.036 34.280 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 52.454 -1.173 35.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 53.228 -1.689 33.891 1.00 1.00 H new ATOM 879 N GLY A 58 48.375 -6.440 31.786 1.00 1.00 N ATOM 880 CA GLY A 58 47.491 -7.572 31.527 1.00 1.00 C ATOM 881 C GLY A 58 48.211 -8.893 31.775 1.00 1.00 C ATOM 882 O GLY A 58 48.237 -9.395 32.898 1.00 1.00 O ATOM 0 H GLY A 58 49.073 -6.270 31.061 1.00 1.00 H new ATOM 0 HA2 GLY A 58 46.612 -7.506 32.168 1.00 1.00 H new ATOM 0 HA3 GLY A 58 47.137 -7.534 30.497 1.00 1.00 H new ATOM 886 N HIS A 59 48.793 -9.452 30.719 1.00 1.00 N ATOM 887 CA HIS A 59 49.509 -10.718 30.833 1.00 1.00 C ATOM 888 C HIS A 59 48.566 -11.827 31.289 1.00 1.00 C ATOM 889 O HIS A 59 48.996 -12.946 31.563 1.00 1.00 O ATOM 890 CB HIS A 59 50.657 -10.578 31.835 1.00 1.00 C ATOM 891 CG HIS A 59 51.877 -11.273 31.299 1.00 1.00 C ATOM 892 ND1 HIS A 59 52.510 -12.295 31.989 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.594 -11.106 30.139 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.557 -12.699 31.247 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.654 -12.008 30.109 1.00 1.00 N ATOM 0 H HIS A 59 48.784 -9.052 29.781 1.00 1.00 H new ATOM 0 HA HIS A 59 49.910 -10.978 29.853 1.00 1.00 H new ATOM 0 HB2 HIS A 59 50.874 -9.524 32.011 1.00 1.00 H new ATOM 0 HB3 HIS A 59 50.371 -11.010 32.794 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.369 -10.384 29.367 1.00 1.00 H new ATOM 0 HE1 HIS A 59 54.237 -13.487 31.537 1.00 1.00 H new ATOM 0 HE2 HIS A 59 54.354 -12.117 29.375 1.00 1.00 H new ATOM 903 N HIS A 60 47.278 -11.505 31.367 1.00 1.00 N ATOM 904 CA HIS A 60 46.279 -12.480 31.791 1.00 1.00 C ATOM 905 C HIS A 60 45.047 -12.411 30.894 1.00 1.00 C ATOM 906 O HIS A 60 44.403 -13.426 30.629 1.00 1.00 O ATOM 907 CB HIS A 60 45.875 -12.215 33.241 1.00 1.00 C ATOM 908 CG HIS A 60 44.375 -12.222 33.356 1.00 1.00 C ATOM 909 ND1 HIS A 60 43.652 -13.394 33.512 1.00 1.00 N ATOM 910 CD2 HIS A 60 43.448 -11.210 33.340 1.00 1.00 C ATOM 911 CE1 HIS A 60 42.351 -13.061 33.585 1.00 1.00 C ATOM 912 NE2 HIS A 60 42.171 -11.742 33.485 1.00 1.00 N ATOM 0 H HIS A 60 46.904 -10.583 31.144 1.00 1.00 H new ATOM 0 HA HIS A 60 46.714 -13.476 31.712 1.00 1.00 H new ATOM 0 HB2 HIS A 60 46.303 -12.976 33.893 1.00 1.00 H new ATOM 0 HB3 HIS A 60 46.271 -11.254 33.570 1.00 1.00 H new ATOM 0 HD1 HIS A 60 44.037 -14.337 33.562 1.00 1.00 H new ATOM 0 HD2 HIS A 60 43.676 -10.160 33.231 1.00 1.00 H new ATOM 0 HE1 HIS A 60 41.549 -13.774 33.709 1.00 1.00 H new ATOM 920 N HIS A 61 44.725 -11.207 30.431 1.00 1.00 N ATOM 921 CA HIS A 61 43.567 -11.017 29.564 1.00 1.00 C ATOM 922 C HIS A 61 42.288 -11.452 30.273 1.00 1.00 C ATOM 923 O HIS A 61 42.016 -12.646 30.405 1.00 1.00 O ATOM 924 CB HIS A 61 43.739 -11.826 28.276 1.00 1.00 C ATOM 925 CG HIS A 61 43.732 -10.894 27.096 1.00 1.00 C ATOM 926 ND1 HIS A 61 42.589 -10.655 26.348 1.00 1.00 N ATOM 927 CD2 HIS A 61 44.720 -10.135 26.521 1.00 1.00 C ATOM 928 CE1 HIS A 61 42.914 -9.785 25.375 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.202 -9.435 25.434 1.00 1.00 N ATOM 0 H HIS A 61 45.245 -10.355 30.639 1.00 1.00 H new ATOM 0 HA HIS A 61 43.491 -9.957 29.320 1.00 1.00 H new ATOM 0 HB2 HIS A 61 44.674 -12.385 28.307 1.00 1.00 H new ATOM 0 HB3 HIS A 61 42.935 -12.556 28.182 1.00 1.00 H new ATOM 0 HD2 HIS A 61 45.744 -10.088 26.860 1.00 1.00 H new ATOM 0 HE1 HIS A 61 42.219 -9.415 24.636 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.699 -8.793 24.816 1.00 1.00 H new ATOM 937 N HIS A 62 41.508 -10.477 30.727 1.00 1.00 N ATOM 938 CA HIS A 62 40.260 -10.771 31.420 1.00 1.00 C ATOM 939 C HIS A 62 39.097 -10.818 30.435 1.00 1.00 C ATOM 940 O HIS A 62 37.951 -10.550 30.797 1.00 1.00 O ATOM 941 CB HIS A 62 39.988 -9.702 32.482 1.00 1.00 C ATOM 942 CG HIS A 62 39.437 -10.353 33.720 1.00 1.00 C ATOM 943 ND1 HIS A 62 39.963 -10.526 34.976 1.00 1.00 N flip ATOM 944 CD2 HIS A 62 38.177 -10.929 33.755 1.00 1.00 C flip ATOM 945 CE1 HIS A 62 39.046 -11.198 35.779 1.00 1.00 C flip ATOM 946 NE2 HIS A 62 37.988 -11.417 34.995 1.00 1.00 N flip ATOM 0 H HIS A 62 41.716 -9.483 30.629 1.00 1.00 H new ATOM 0 HA HIS A 62 40.354 -11.745 31.900 1.00 1.00 H new ATOM 0 HB2 HIS A 62 40.908 -9.167 32.718 1.00 1.00 H new ATOM 0 HB3 HIS A 62 39.280 -8.966 32.100 1.00 1.00 H new ATOM 0 HD2 HIS A 62 37.474 -10.977 32.936 1.00 1.00 H new ATOM 0 HE1 HIS A 62 39.165 -11.481 36.814 1.00 1.00 H new ATOM 0 HE2 HIS A 62 37.140 -11.896 35.299 1.00 1.00 H new ATOM 954 N HIS A 63 39.400 -11.158 29.186 1.00 1.00 N ATOM 955 CA HIS A 63 38.372 -11.238 28.155 1.00 1.00 C ATOM 956 C HIS A 63 37.770 -12.638 28.103 1.00 1.00 C ATOM 957 O HIS A 63 37.562 -13.195 27.026 1.00 1.00 O ATOM 958 CB HIS A 63 38.972 -10.888 26.792 1.00 1.00 C ATOM 959 CG HIS A 63 39.827 -12.027 26.313 1.00 1.00 C ATOM 960 ND1 HIS A 63 40.451 -13.051 26.982 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 40.131 -12.211 24.972 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 41.132 -13.858 26.074 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 40.906 -13.307 24.879 1.00 1.00 N flip ATOM 0 H HIS A 63 40.342 -11.381 28.865 1.00 1.00 H new ATOM 0 HA HIS A 63 37.584 -10.526 28.400 1.00 1.00 H new ATOM 0 HB2 HIS A 63 38.177 -10.689 26.073 1.00 1.00 H new ATOM 0 HB3 HIS A 63 39.568 -9.979 26.868 1.00 1.00 H new ATOM 0 HD2 HIS A 63 39.805 -11.588 24.152 1.00 1.00 H new ATOM 0 HE1 HIS A 63 41.717 -14.740 26.290 1.00 1.00 H new ATOM 0 HE2 HIS A 63 41.276 -13.673 24.002 1.00 1.00 H new ATOM 971 N HIS A 64 37.491 -13.201 29.274 1.00 1.00 N ATOM 972 CA HIS A 64 36.912 -14.537 29.350 1.00 1.00 C ATOM 973 C HIS A 64 36.230 -14.750 30.698 1.00 1.00 C ATOM 974 O HIS A 64 36.857 -15.328 31.571 1.00 1.00 O ATOM 975 CB HIS A 64 38.003 -15.592 29.156 1.00 1.00 C ATOM 976 CG HIS A 64 37.483 -16.936 29.589 1.00 1.00 C ATOM 977 ND1 HIS A 64 36.230 -17.492 29.543 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 38.304 -17.895 30.160 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 36.268 -18.778 30.076 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 37.541 -18.971 30.432 1.00 1.00 N flip ATOM 981 OXT HIS A 64 35.092 -14.334 30.836 1.00 1.00 O ATOM 0 H HIS A 64 37.655 -12.757 30.177 1.00 1.00 H new ATOM 0 HA HIS A 64 36.168 -14.635 28.559 1.00 1.00 H new ATOM 0 HB2 HIS A 64 38.308 -15.628 28.110 1.00 1.00 H new ATOM 0 HB3 HIS A 64 38.887 -15.328 29.737 1.00 1.00 H new ATOM 0 HD2 HIS A 64 39.362 -17.798 30.352 1.00 1.00 H new ATOM 0 HE1 HIS A 64 35.445 -19.470 30.179 1.00 1.00 H new ATOM 0 HE2 HIS A 64 37.892 -19.829 30.858 1.00 1.00 H new TER 989 HIS A 64