USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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 43 THR OG1 : rot -133:sc= -0.76 USER MOD Set 1.2: A 44 THR OG1 : rot -133:sc= -0.5 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.209 (180deg=-1.14) USER MOD Single : A 9 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.2!) 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 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -12.3! C(o=-12!,f=-9.3!) USER MOD Single : A 17 SER OG : rot 46:sc= 0.976 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 38:sc= 0.185 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 4:sc= 0.416 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 46 ASN : amide:sc= -2.39 K(o=-2.4,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.767 (180deg=-1.17) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 60 HIS : no HD1:sc= 0.0958 K(o=0.096,f=-3!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.022) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.786 K(o=-0.79,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.403 -30.638 -13.715 1.00 1.00 N ATOM 2 CA MET A 1 47.631 -29.169 -13.615 1.00 1.00 C ATOM 3 C MET A 1 47.230 -28.688 -12.225 1.00 1.00 C ATOM 4 O MET A 1 46.462 -29.349 -11.526 1.00 1.00 O ATOM 5 CB MET A 1 46.794 -28.452 -14.677 1.00 1.00 C ATOM 6 CG MET A 1 47.251 -28.892 -16.070 1.00 1.00 C ATOM 7 SD MET A 1 48.771 -28.013 -16.511 1.00 1.00 S ATOM 8 CE MET A 1 49.025 -28.795 -18.123 1.00 1.00 C ATOM 0 H1 MET A 1 48.240 -31.091 -14.135 1.00 1.00 H new ATOM 0 H2 MET A 1 47.237 -31.029 -12.766 1.00 1.00 H new ATOM 0 H3 MET A 1 46.573 -30.820 -14.314 1.00 1.00 H new ATOM 0 HA MET A 1 48.685 -28.948 -13.780 1.00 1.00 H new ATOM 0 HB2 MET A 1 45.738 -28.683 -14.539 1.00 1.00 H new ATOM 0 HB3 MET A 1 46.901 -27.372 -14.572 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.423 -29.968 -16.085 1.00 1.00 H new ATOM 0 HG3 MET A 1 46.472 -28.683 -16.803 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.927 -28.393 -18.584 1.00 1.00 H new ATOM 0 HE2 MET A 1 49.133 -29.872 -17.992 1.00 1.00 H new ATOM 0 HE3 MET A 1 48.168 -28.591 -18.765 1.00 1.00 H new ATOM 20 N GLU A 2 47.754 -27.532 -11.829 1.00 1.00 N ATOM 21 CA GLU A 2 47.443 -26.972 -10.519 1.00 1.00 C ATOM 22 C GLU A 2 46.301 -25.966 -10.624 1.00 1.00 C ATOM 23 O GLU A 2 46.530 -24.769 -10.795 1.00 1.00 O ATOM 24 CB GLU A 2 48.680 -26.284 -9.938 1.00 1.00 C ATOM 25 CG GLU A 2 49.435 -25.562 -11.056 1.00 1.00 C ATOM 26 CD GLU A 2 50.169 -24.351 -10.491 1.00 1.00 C ATOM 27 OE1 GLU A 2 49.539 -23.574 -9.792 1.00 1.00 O ATOM 28 OE2 GLU A 2 51.351 -24.218 -10.764 1.00 1.00 O ATOM 0 H GLU A 2 48.391 -26.969 -12.392 1.00 1.00 H new ATOM 0 HA GLU A 2 47.137 -27.785 -9.860 1.00 1.00 H new ATOM 0 HB2 GLU A 2 48.385 -25.573 -9.166 1.00 1.00 H new ATOM 0 HB3 GLU A 2 49.329 -27.020 -9.463 1.00 1.00 H new ATOM 0 HG2 GLU A 2 50.146 -26.243 -11.525 1.00 1.00 H new ATOM 0 HG3 GLU A 2 48.738 -25.246 -11.832 1.00 1.00 H new ATOM 35 N GLU A 3 45.072 -26.461 -10.521 1.00 1.00 N ATOM 36 CA GLU A 3 43.901 -25.595 -10.605 1.00 1.00 C ATOM 37 C GLU A 3 42.736 -26.191 -9.821 1.00 1.00 C ATOM 38 O GLU A 3 42.086 -27.132 -10.277 1.00 1.00 O ATOM 39 CB GLU A 3 43.493 -25.410 -12.068 1.00 1.00 C ATOM 40 CG GLU A 3 43.844 -23.992 -12.521 1.00 1.00 C ATOM 41 CD GLU A 3 43.488 -23.811 -13.993 1.00 1.00 C ATOM 42 OE1 GLU A 3 42.369 -24.136 -14.355 1.00 1.00 O ATOM 43 OE2 GLU A 3 44.340 -23.351 -14.735 1.00 1.00 O ATOM 0 H GLU A 3 44.861 -27.449 -10.380 1.00 1.00 H new ATOM 0 HA GLU A 3 44.156 -24.627 -10.174 1.00 1.00 H new ATOM 0 HB2 GLU A 3 44.005 -26.140 -12.694 1.00 1.00 H new ATOM 0 HB3 GLU A 3 42.423 -25.586 -12.183 1.00 1.00 H new ATOM 0 HG2 GLU A 3 43.304 -23.264 -11.916 1.00 1.00 H new ATOM 0 HG3 GLU A 3 44.907 -23.806 -12.370 1.00 1.00 H new ATOM 50 N GLY A 4 42.479 -25.638 -8.641 1.00 1.00 N ATOM 51 CA GLY A 4 41.390 -26.124 -7.802 1.00 1.00 C ATOM 52 C GLY A 4 41.813 -26.179 -6.338 1.00 1.00 C ATOM 53 O GLY A 4 41.094 -25.710 -5.456 1.00 1.00 O ATOM 0 H GLY A 4 43.005 -24.859 -8.246 1.00 1.00 H new ATOM 0 HA2 GLY A 4 40.524 -25.472 -7.910 1.00 1.00 H new ATOM 0 HA3 GLY A 4 41.085 -27.116 -8.134 1.00 1.00 H new ATOM 57 N GLY A 5 42.984 -26.756 -6.087 1.00 1.00 N ATOM 58 CA GLY A 5 43.493 -26.867 -4.725 1.00 1.00 C ATOM 59 C GLY A 5 42.931 -28.104 -4.033 1.00 1.00 C ATOM 60 O GLY A 5 42.038 -28.768 -4.558 1.00 1.00 O ATOM 0 H GLY A 5 43.594 -27.151 -6.803 1.00 1.00 H new ATOM 0 HA2 GLY A 5 44.582 -26.918 -4.742 1.00 1.00 H new ATOM 0 HA3 GLY A 5 43.225 -25.975 -4.159 1.00 1.00 H new ATOM 64 N ASP A 6 43.459 -28.406 -2.852 1.00 1.00 N ATOM 65 CA ASP A 6 43.001 -29.566 -2.096 1.00 1.00 C ATOM 66 C ASP A 6 43.000 -29.265 -0.601 1.00 1.00 C ATOM 67 O ASP A 6 44.031 -28.915 -0.027 1.00 1.00 O ATOM 68 CB ASP A 6 43.911 -30.764 -2.376 1.00 1.00 C ATOM 69 CG ASP A 6 43.158 -31.812 -3.189 1.00 1.00 C ATOM 70 OD1 ASP A 6 42.259 -32.426 -2.639 1.00 1.00 O ATOM 71 OD2 ASP A 6 43.492 -31.984 -4.350 1.00 1.00 O ATOM 0 H ASP A 6 44.199 -27.869 -2.400 1.00 1.00 H new ATOM 0 HA ASP A 6 41.984 -29.801 -2.409 1.00 1.00 H new ATOM 0 HB2 ASP A 6 44.798 -30.438 -2.920 1.00 1.00 H new ATOM 0 HB3 ASP A 6 44.254 -31.198 -1.437 1.00 1.00 H new ATOM 76 N PHE A 7 41.835 -29.404 0.024 1.00 1.00 N ATOM 77 CA PHE A 7 41.711 -29.144 1.454 1.00 1.00 C ATOM 78 C PHE A 7 42.492 -27.892 1.841 1.00 1.00 C ATOM 79 O PHE A 7 43.671 -27.966 2.184 1.00 1.00 O ATOM 80 CB PHE A 7 42.234 -30.340 2.250 1.00 1.00 C ATOM 81 CG PHE A 7 41.752 -30.246 3.677 1.00 1.00 C ATOM 82 CD1 PHE A 7 42.485 -29.511 4.617 1.00 1.00 C ATOM 83 CD2 PHE A 7 40.572 -30.894 4.062 1.00 1.00 C ATOM 84 CE1 PHE A 7 42.037 -29.423 5.941 1.00 1.00 C ATOM 85 CE2 PHE A 7 40.124 -30.806 5.386 1.00 1.00 C ATOM 86 CZ PHE A 7 40.857 -30.071 6.325 1.00 1.00 C ATOM 0 H PHE A 7 40.970 -29.693 -0.433 1.00 1.00 H new ATOM 0 HA PHE A 7 40.657 -28.987 1.685 1.00 1.00 H new ATOM 0 HB2 PHE A 7 41.888 -31.270 1.799 1.00 1.00 H new ATOM 0 HB3 PHE A 7 43.324 -30.359 2.224 1.00 1.00 H new ATOM 0 HD1 PHE A 7 43.396 -29.012 4.321 1.00 1.00 H new ATOM 0 HD2 PHE A 7 40.007 -31.462 3.338 1.00 1.00 H new ATOM 0 HE1 PHE A 7 42.602 -28.855 6.666 1.00 1.00 H new ATOM 0 HE2 PHE A 7 39.213 -31.305 5.682 1.00 1.00 H new ATOM 0 HZ PHE A 7 40.512 -30.004 7.346 1.00 1.00 H new ATOM 96 N ASP A 8 41.826 -26.743 1.782 1.00 1.00 N ATOM 97 CA ASP A 8 42.468 -25.481 2.129 1.00 1.00 C ATOM 98 C ASP A 8 41.500 -24.578 2.887 1.00 1.00 C ATOM 99 O ASP A 8 41.295 -23.422 2.516 1.00 1.00 O ATOM 100 CB ASP A 8 42.944 -24.771 0.860 1.00 1.00 C ATOM 101 CG ASP A 8 43.823 -23.581 1.228 1.00 1.00 C ATOM 102 OD1 ASP A 8 43.279 -22.509 1.434 1.00 1.00 O ATOM 103 OD2 ASP A 8 45.028 -23.759 1.297 1.00 1.00 O ATOM 0 H ASP A 8 40.849 -26.660 1.499 1.00 1.00 H new ATOM 0 HA ASP A 8 43.324 -25.694 2.769 1.00 1.00 H new ATOM 0 HB2 ASP A 8 43.502 -25.466 0.232 1.00 1.00 H new ATOM 0 HB3 ASP A 8 42.086 -24.434 0.278 1.00 1.00 H new ATOM 108 N ASN A 9 40.907 -25.113 3.949 1.00 1.00 N ATOM 109 CA ASN A 9 39.961 -24.345 4.751 1.00 1.00 C ATOM 110 C ASN A 9 40.191 -24.596 6.238 1.00 1.00 C ATOM 111 O ASN A 9 39.246 -24.826 6.992 1.00 1.00 O ATOM 112 CB ASN A 9 38.528 -24.733 4.382 1.00 1.00 C ATOM 113 CG ASN A 9 38.273 -24.442 2.907 1.00 1.00 C ATOM 114 OD1 ASN A 9 38.924 -23.576 2.322 1.00 1.00 O ATOM 115 ND2 ASN A 9 37.359 -25.119 2.266 1.00 1.00 N ATOM 0 H ASN A 9 41.063 -26.068 4.273 1.00 1.00 H new ATOM 0 HA ASN A 9 40.115 -23.286 4.545 1.00 1.00 H new ATOM 0 HB2 ASN A 9 38.365 -25.791 4.586 1.00 1.00 H new ATOM 0 HB3 ASN A 9 37.822 -24.177 4.998 1.00 1.00 H new ATOM 0 HD21 ASN A 9 37.183 -24.931 1.279 1.00 1.00 H new ATOM 0 HD22 ASN A 9 36.821 -25.836 2.752 1.00 1.00 H new ATOM 122 N TYR A 10 41.453 -24.551 6.652 1.00 1.00 N ATOM 123 CA TYR A 10 41.795 -24.774 8.052 1.00 1.00 C ATOM 124 C TYR A 10 41.031 -23.808 8.951 1.00 1.00 C ATOM 125 O TYR A 10 41.393 -22.637 9.069 1.00 1.00 O ATOM 126 CB TYR A 10 43.299 -24.587 8.259 1.00 1.00 C ATOM 127 CG TYR A 10 43.555 -24.071 9.655 1.00 1.00 C ATOM 128 CD1 TYR A 10 43.430 -24.931 10.752 1.00 1.00 C ATOM 129 CD2 TYR A 10 43.917 -22.733 9.851 1.00 1.00 C ATOM 130 CE1 TYR A 10 43.667 -24.452 12.047 1.00 1.00 C ATOM 131 CE2 TYR A 10 44.154 -22.255 11.145 1.00 1.00 C ATOM 132 CZ TYR A 10 44.029 -23.114 12.243 1.00 1.00 C ATOM 133 OH TYR A 10 44.263 -22.643 13.519 1.00 1.00 O ATOM 0 H TYR A 10 42.250 -24.364 6.044 1.00 1.00 H new ATOM 0 HA TYR A 10 41.517 -25.794 8.316 1.00 1.00 H new ATOM 0 HB2 TYR A 10 43.818 -25.534 8.109 1.00 1.00 H new ATOM 0 HB3 TYR A 10 43.694 -23.887 7.523 1.00 1.00 H new ATOM 0 HD1 TYR A 10 43.151 -25.963 10.600 1.00 1.00 H new ATOM 0 HD2 TYR A 10 44.013 -22.070 9.004 1.00 1.00 H new ATOM 0 HE1 TYR A 10 43.570 -25.115 12.894 1.00 1.00 H new ATOM 0 HE2 TYR A 10 44.433 -21.223 11.296 1.00 1.00 H new ATOM 0 HH TYR A 10 44.505 -21.694 13.478 1.00 1.00 H new ATOM 143 N TYR A 11 39.973 -24.305 9.582 1.00 1.00 N ATOM 144 CA TYR A 11 39.164 -23.476 10.468 1.00 1.00 C ATOM 145 C TYR A 11 40.026 -22.870 11.571 1.00 1.00 C ATOM 146 O TYR A 11 41.187 -23.242 11.740 1.00 1.00 O ATOM 147 CB TYR A 11 38.047 -24.314 11.092 1.00 1.00 C ATOM 148 CG TYR A 11 38.528 -24.905 12.396 1.00 1.00 C ATOM 149 CD1 TYR A 11 39.207 -26.129 12.401 1.00 1.00 C ATOM 150 CD2 TYR A 11 38.295 -24.228 13.599 1.00 1.00 C ATOM 151 CE1 TYR A 11 39.653 -26.677 13.610 1.00 1.00 C ATOM 152 CE2 TYR A 11 38.741 -24.776 14.808 1.00 1.00 C ATOM 153 CZ TYR A 11 39.420 -26.000 14.813 1.00 1.00 C ATOM 154 OH TYR A 11 39.860 -26.540 16.005 1.00 1.00 O ATOM 0 H TYR A 11 39.657 -25.271 9.498 1.00 1.00 H new ATOM 0 HA TYR A 11 38.727 -22.669 9.880 1.00 1.00 H new ATOM 0 HB2 TYR A 11 37.166 -23.695 11.264 1.00 1.00 H new ATOM 0 HB3 TYR A 11 37.749 -25.109 10.408 1.00 1.00 H new ATOM 0 HD1 TYR A 11 39.387 -26.651 11.473 1.00 1.00 H new ATOM 0 HD2 TYR A 11 37.771 -23.283 13.595 1.00 1.00 H new ATOM 0 HE1 TYR A 11 40.177 -27.622 13.614 1.00 1.00 H new ATOM 0 HE2 TYR A 11 38.561 -24.254 15.736 1.00 1.00 H new ATOM 0 HH TYR A 11 39.618 -25.943 16.744 1.00 1.00 H new ATOM 164 N GLY A 12 39.449 -21.934 12.318 1.00 1.00 N ATOM 165 CA GLY A 12 40.174 -21.282 13.403 1.00 1.00 C ATOM 166 C GLY A 12 39.622 -19.886 13.665 1.00 1.00 C ATOM 167 O GLY A 12 39.497 -19.462 14.814 1.00 1.00 O ATOM 0 H GLY A 12 38.489 -21.612 12.194 1.00 1.00 H new ATOM 0 HA2 GLY A 12 40.098 -21.883 14.309 1.00 1.00 H new ATOM 0 HA3 GLY A 12 41.232 -21.217 13.151 1.00 1.00 H new ATOM 171 N ALA A 13 39.293 -19.174 12.592 1.00 1.00 N ATOM 172 CA ALA A 13 38.754 -17.824 12.718 1.00 1.00 C ATOM 173 C ALA A 13 37.436 -17.842 13.485 1.00 1.00 C ATOM 174 O ALA A 13 36.361 -17.760 12.892 1.00 1.00 O ATOM 175 CB ALA A 13 38.531 -17.219 11.331 1.00 1.00 C ATOM 0 H ALA A 13 39.389 -19.506 11.632 1.00 1.00 H new ATOM 0 HA ALA A 13 39.473 -17.216 13.268 1.00 1.00 H new ATOM 0 HB1 ALA A 13 38.129 -16.211 11.434 1.00 1.00 H new ATOM 0 HB2 ALA A 13 39.479 -17.178 10.795 1.00 1.00 H new ATOM 0 HB3 ALA A 13 37.826 -17.836 10.774 1.00 1.00 H new ATOM 181 N ASP A 14 37.528 -17.951 14.807 1.00 1.00 N ATOM 182 CA ASP A 14 36.335 -17.978 15.645 1.00 1.00 C ATOM 183 C ASP A 14 35.976 -16.572 16.113 1.00 1.00 C ATOM 184 O ASP A 14 36.192 -16.219 17.273 1.00 1.00 O ATOM 185 CB ASP A 14 36.571 -18.877 16.860 1.00 1.00 C ATOM 186 CG ASP A 14 38.020 -18.759 17.323 1.00 1.00 C ATOM 187 OD1 ASP A 14 38.426 -17.659 17.658 1.00 1.00 O ATOM 188 OD2 ASP A 14 38.701 -19.771 17.336 1.00 1.00 O ATOM 0 H ASP A 14 38.408 -18.021 15.317 1.00 1.00 H new ATOM 0 HA ASP A 14 35.509 -18.374 15.055 1.00 1.00 H new ATOM 0 HB2 ASP A 14 35.898 -18.593 17.669 1.00 1.00 H new ATOM 0 HB3 ASP A 14 36.345 -19.913 16.606 1.00 1.00 H new ATOM 193 N ASN A 15 35.427 -15.773 15.204 1.00 1.00 N ATOM 194 CA ASN A 15 35.042 -14.406 15.535 1.00 1.00 C ATOM 195 C ASN A 15 33.902 -13.938 14.637 1.00 1.00 C ATOM 196 O ASN A 15 32.775 -13.767 15.100 1.00 1.00 O ATOM 197 CB ASN A 15 36.242 -13.471 15.371 1.00 1.00 C ATOM 198 CG ASN A 15 36.776 -13.065 16.741 1.00 1.00 C ATOM 199 OD1 ASN A 15 37.758 -13.633 17.218 1.00 1.00 O ATOM 200 ND2 ASN A 15 36.182 -12.113 17.407 1.00 1.00 N ATOM 0 H ASN A 15 35.240 -16.046 14.239 1.00 1.00 H new ATOM 0 HA ASN A 15 34.705 -14.384 16.571 1.00 1.00 H new ATOM 0 HB2 ASN A 15 37.025 -13.968 14.799 1.00 1.00 H new ATOM 0 HB3 ASN A 15 35.949 -12.585 14.808 1.00 1.00 H new ATOM 0 HD21 ASN A 15 36.531 -11.838 18.325 1.00 1.00 H new ATOM 0 HD22 ASN A 15 35.368 -11.644 17.010 1.00 1.00 H new ATOM 207 N GLN A 16 34.217 -13.739 13.353 1.00 1.00 N ATOM 208 CA GLN A 16 33.233 -13.291 12.363 1.00 1.00 C ATOM 209 C GLN A 16 32.122 -12.467 13.006 1.00 1.00 C ATOM 210 O GLN A 16 30.944 -12.646 12.698 1.00 1.00 O ATOM 211 CB GLN A 16 32.630 -14.495 11.637 1.00 1.00 C ATOM 212 CG GLN A 16 32.136 -15.527 12.653 1.00 1.00 C ATOM 213 CD GLN A 16 33.310 -16.342 13.183 1.00 1.00 C ATOM 214 OE1 GLN A 16 34.290 -16.557 12.470 1.00 1.00 O ATOM 215 NE2 GLN A 16 33.271 -16.810 14.401 1.00 1.00 N ATOM 0 H GLN A 16 35.153 -13.882 12.973 1.00 1.00 H new ATOM 0 HA GLN A 16 33.753 -12.655 11.646 1.00 1.00 H new ATOM 0 HB2 GLN A 16 31.804 -14.172 11.004 1.00 1.00 H new ATOM 0 HB3 GLN A 16 33.376 -14.946 10.982 1.00 1.00 H new ATOM 0 HG2 GLN A 16 31.630 -15.024 13.477 1.00 1.00 H new ATOM 0 HG3 GLN A 16 31.405 -16.188 12.186 1.00 1.00 H new ATOM 0 HE21 GLN A 16 32.458 -16.631 14.990 1.00 1.00 H new ATOM 0 HE22 GLN A 16 34.053 -17.355 14.763 1.00 1.00 H new ATOM 224 N SER A 17 32.508 -11.565 13.900 1.00 1.00 N ATOM 225 CA SER A 17 31.539 -10.716 14.584 1.00 1.00 C ATOM 226 C SER A 17 31.441 -9.356 13.900 1.00 1.00 C ATOM 227 O SER A 17 32.436 -8.824 13.408 1.00 1.00 O ATOM 228 CB SER A 17 31.952 -10.525 16.044 1.00 1.00 C ATOM 229 OG SER A 17 31.726 -11.734 16.757 1.00 1.00 O ATOM 0 H SER A 17 33.479 -11.403 14.168 1.00 1.00 H new ATOM 0 HA SER A 17 30.564 -11.202 14.542 1.00 1.00 H new ATOM 0 HB2 SER A 17 33.004 -10.245 16.103 1.00 1.00 H new ATOM 0 HB3 SER A 17 31.381 -9.712 16.492 1.00 1.00 H new ATOM 0 HG SER A 17 32.067 -12.490 16.235 1.00 1.00 H new ATOM 235 N GLU A 18 30.234 -8.799 13.874 1.00 1.00 N ATOM 236 CA GLU A 18 30.016 -7.500 13.247 1.00 1.00 C ATOM 237 C GLU A 18 30.495 -6.377 14.162 1.00 1.00 C ATOM 238 O GLU A 18 29.710 -5.524 14.577 1.00 1.00 O ATOM 239 CB GLU A 18 28.530 -7.312 12.940 1.00 1.00 C ATOM 240 CG GLU A 18 28.360 -6.218 11.884 1.00 1.00 C ATOM 241 CD GLU A 18 27.112 -5.394 12.184 1.00 1.00 C ATOM 242 OE1 GLU A 18 27.148 -4.625 13.130 1.00 1.00 O ATOM 243 OE2 GLU A 18 26.138 -5.547 11.466 1.00 1.00 O ATOM 0 H GLU A 18 29.398 -9.223 14.276 1.00 1.00 H new ATOM 0 HA GLU A 18 30.586 -7.465 12.318 1.00 1.00 H new ATOM 0 HB2 GLU A 18 28.101 -8.248 12.582 1.00 1.00 H new ATOM 0 HB3 GLU A 18 27.992 -7.042 13.848 1.00 1.00 H new ATOM 0 HG2 GLU A 18 29.238 -5.572 11.872 1.00 1.00 H new ATOM 0 HG3 GLU A 18 28.281 -6.666 10.894 1.00 1.00 H new ATOM 250 N CYS A 19 31.787 -6.383 14.472 1.00 1.00 N ATOM 251 CA CYS A 19 32.359 -5.360 15.339 1.00 1.00 C ATOM 252 C CYS A 19 33.809 -5.082 14.955 1.00 1.00 C ATOM 253 O CYS A 19 34.684 -4.996 15.817 1.00 1.00 O ATOM 254 CB CYS A 19 32.294 -5.814 16.798 1.00 1.00 C ATOM 255 SG CYS A 19 32.193 -4.365 17.878 1.00 1.00 S ATOM 0 H CYS A 19 32.454 -7.079 14.139 1.00 1.00 H new ATOM 0 HA CYS A 19 31.780 -4.444 15.218 1.00 1.00 H new ATOM 0 HB2 CYS A 19 31.427 -6.456 16.952 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.176 -6.405 17.046 1.00 1.00 H new ATOM 0 HG CYS A 19 32.136 -4.751 19.118 1.00 1.00 H new ATOM 261 N GLU A 20 34.056 -4.943 13.657 1.00 1.00 N ATOM 262 CA GLU A 20 35.405 -4.675 13.170 1.00 1.00 C ATOM 263 C GLU A 20 35.362 -4.145 11.740 1.00 1.00 C ATOM 264 O GLU A 20 36.166 -3.294 11.360 1.00 1.00 O ATOM 265 CB GLU A 20 36.241 -5.956 13.217 1.00 1.00 C ATOM 266 CG GLU A 20 37.485 -5.785 12.344 1.00 1.00 C ATOM 267 CD GLU A 20 38.565 -6.771 12.779 1.00 1.00 C ATOM 268 OE1 GLU A 20 38.299 -7.961 12.750 1.00 1.00 O ATOM 269 OE2 GLU A 20 39.642 -6.321 13.135 1.00 1.00 O ATOM 0 H GLU A 20 33.346 -5.011 12.928 1.00 1.00 H new ATOM 0 HA GLU A 20 35.860 -3.921 13.812 1.00 1.00 H new ATOM 0 HB2 GLU A 20 36.532 -6.176 14.244 1.00 1.00 H new ATOM 0 HB3 GLU A 20 35.650 -6.802 12.865 1.00 1.00 H new ATOM 0 HG2 GLU A 20 37.230 -5.950 11.297 1.00 1.00 H new ATOM 0 HG3 GLU A 20 37.859 -4.764 12.424 1.00 1.00 H new ATOM 276 N TYR A 21 34.420 -4.654 10.954 1.00 1.00 N ATOM 277 CA TYR A 21 34.283 -4.225 9.567 1.00 1.00 C ATOM 278 C TYR A 21 34.048 -2.719 9.493 1.00 1.00 C ATOM 279 O TYR A 21 33.976 -2.145 8.407 1.00 1.00 O ATOM 280 CB TYR A 21 33.114 -4.958 8.906 1.00 1.00 C ATOM 281 CG TYR A 21 31.882 -4.086 8.950 1.00 1.00 C ATOM 282 CD1 TYR A 21 31.027 -4.137 10.057 1.00 1.00 C ATOM 283 CD2 TYR A 21 31.594 -3.228 7.882 1.00 1.00 C ATOM 284 CE1 TYR A 21 29.885 -3.329 10.097 1.00 1.00 C ATOM 285 CE2 TYR A 21 30.451 -2.420 7.922 1.00 1.00 C ATOM 286 CZ TYR A 21 29.596 -2.471 9.030 1.00 1.00 C ATOM 287 OH TYR A 21 28.470 -1.675 9.069 1.00 1.00 O ATOM 0 H TYR A 21 33.745 -5.359 11.250 1.00 1.00 H new ATOM 0 HA TYR A 21 35.206 -4.464 9.040 1.00 1.00 H new ATOM 0 HB2 TYR A 21 33.362 -5.203 7.873 1.00 1.00 H new ATOM 0 HB3 TYR A 21 32.924 -5.900 9.420 1.00 1.00 H new ATOM 0 HD1 TYR A 21 31.249 -4.800 10.880 1.00 1.00 H new ATOM 0 HD2 TYR A 21 32.253 -3.189 7.027 1.00 1.00 H new ATOM 0 HE1 TYR A 21 29.226 -3.368 10.952 1.00 1.00 H new ATOM 0 HE2 TYR A 21 30.229 -1.758 7.098 1.00 1.00 H new ATOM 0 HH TYR A 21 28.419 -1.139 8.250 1.00 1.00 H new ATOM 297 N THR A 22 33.931 -2.087 10.656 1.00 1.00 N ATOM 298 CA THR A 22 33.706 -0.647 10.712 1.00 1.00 C ATOM 299 C THR A 22 35.004 0.085 11.036 1.00 1.00 C ATOM 300 O THR A 22 35.278 1.154 10.490 1.00 1.00 O ATOM 301 CB THR A 22 32.655 -0.323 11.776 1.00 1.00 C ATOM 302 OG1 THR A 22 31.435 -0.973 11.446 1.00 1.00 O ATOM 303 CG2 THR A 22 32.432 1.189 11.832 1.00 1.00 C ATOM 0 H THR A 22 33.988 -2.545 11.566 1.00 1.00 H new ATOM 0 HA THR A 22 33.349 -0.316 9.737 1.00 1.00 H new ATOM 0 HB THR A 22 33.002 -0.672 12.749 1.00 1.00 H new ATOM 0 HG1 THR A 22 31.627 -1.857 11.068 1.00 1.00 H new ATOM 0 HG21 THR A 22 31.683 1.419 12.590 1.00 1.00 H new ATOM 0 HG22 THR A 22 33.369 1.686 12.085 1.00 1.00 H new ATOM 0 HG23 THR A 22 32.085 1.542 10.861 1.00 1.00 H new ATOM 311 N ASP A 23 35.799 -0.500 11.929 1.00 1.00 N ATOM 312 CA ASP A 23 37.069 0.102 12.323 1.00 1.00 C ATOM 313 C ASP A 23 38.239 -0.683 11.739 1.00 1.00 C ATOM 314 O ASP A 23 39.360 -0.612 12.244 1.00 1.00 O ATOM 315 CB ASP A 23 37.181 0.130 13.848 1.00 1.00 C ATOM 316 CG ASP A 23 36.380 1.300 14.407 1.00 1.00 C ATOM 317 OD1 ASP A 23 35.662 1.921 13.640 1.00 1.00 O ATOM 318 OD2 ASP A 23 36.495 1.559 15.594 1.00 1.00 O ATOM 0 H ASP A 23 35.588 -1.385 12.391 1.00 1.00 H new ATOM 0 HA ASP A 23 37.102 1.121 11.937 1.00 1.00 H new ATOM 0 HB2 ASP A 23 36.812 -0.807 14.265 1.00 1.00 H new ATOM 0 HB3 ASP A 23 38.227 0.220 14.143 1.00 1.00 H new ATOM 323 N TRP A 24 37.971 -1.431 10.674 1.00 1.00 N ATOM 324 CA TRP A 24 39.010 -2.226 10.028 1.00 1.00 C ATOM 325 C TRP A 24 40.243 -1.370 9.739 1.00 1.00 C ATOM 326 O TRP A 24 41.035 -1.087 10.638 1.00 1.00 O ATOM 327 CB TRP A 24 38.475 -2.833 8.726 1.00 1.00 C ATOM 328 CG TRP A 24 37.511 -1.887 8.077 1.00 1.00 C ATOM 329 CD1 TRP A 24 37.531 -0.540 8.202 1.00 1.00 C ATOM 330 CD2 TRP A 24 36.386 -2.201 7.205 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.491 -0.007 7.462 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.756 -0.991 6.830 1.00 1.00 C ATOM 333 CE3 TRP A 24 35.856 -3.406 6.709 1.00 1.00 C ATOM 334 CZ2 TRP A 24 34.641 -0.976 5.992 1.00 1.00 C ATOM 335 CZ3 TRP A 24 34.733 -3.394 5.865 1.00 1.00 C ATOM 336 CH2 TRP A 24 34.127 -2.182 5.508 1.00 1.00 C ATOM 0 H TRP A 24 37.050 -1.504 10.242 1.00 1.00 H new ATOM 0 HA TRP A 24 39.299 -3.031 10.704 1.00 1.00 H new ATOM 0 HB2 TRP A 24 39.301 -3.045 8.048 1.00 1.00 H new ATOM 0 HB3 TRP A 24 37.981 -3.782 8.934 1.00 1.00 H new ATOM 0 HD1 TRP A 24 38.243 0.026 8.784 1.00 1.00 H new ATOM 0 HE1 TRP A 24 36.291 0.991 7.392 1.00 1.00 H new ATOM 0 HE3 TRP A 24 36.315 -4.346 6.979 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 34.178 -0.039 5.719 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 34.334 -4.325 5.489 1.00 1.00 H new ATOM 0 HH2 TRP A 24 33.263 -2.180 4.859 1.00 1.00 H new ATOM 347 N LYS A 25 40.400 -0.960 8.484 1.00 1.00 N ATOM 348 CA LYS A 25 41.541 -0.138 8.097 1.00 1.00 C ATOM 349 C LYS A 25 41.445 1.246 8.732 1.00 1.00 C ATOM 350 O LYS A 25 41.269 2.247 8.037 1.00 1.00 O ATOM 351 CB LYS A 25 41.592 0.000 6.574 1.00 1.00 C ATOM 352 CG LYS A 25 41.378 -1.372 5.930 1.00 1.00 C ATOM 353 CD LYS A 25 39.973 -1.441 5.325 1.00 1.00 C ATOM 354 CE LYS A 25 39.919 -0.594 4.051 1.00 1.00 C ATOM 355 NZ LYS A 25 39.870 -1.490 2.861 1.00 1.00 N ATOM 0 H LYS A 25 39.757 -1.181 7.723 1.00 1.00 H new ATOM 0 HA LYS A 25 42.451 -0.624 8.449 1.00 1.00 H new ATOM 0 HB2 LYS A 25 40.825 0.696 6.235 1.00 1.00 H new ATOM 0 HB3 LYS A 25 42.554 0.412 6.267 1.00 1.00 H new ATOM 0 HG2 LYS A 25 42.127 -1.543 5.157 1.00 1.00 H new ATOM 0 HG3 LYS A 25 41.504 -2.158 6.675 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.715 -2.475 5.097 1.00 1.00 H new ATOM 0 HD3 LYS A 25 39.238 -1.080 6.045 1.00 1.00 H new ATOM 0 HE2 LYS A 25 39.042 0.053 4.069 1.00 1.00 H new ATOM 0 HE3 LYS A 25 40.793 0.055 3.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 39.833 -0.915 1.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 40.719 -2.090 2.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 39.023 -2.091 2.914 1.00 1.00 H new ATOM 369 N SER A 26 41.562 1.294 10.055 1.00 1.00 N ATOM 370 CA SER A 26 41.487 2.561 10.774 1.00 1.00 C ATOM 371 C SER A 26 42.560 2.627 11.856 1.00 1.00 C ATOM 372 O SER A 26 43.365 3.558 11.890 1.00 1.00 O ATOM 373 CB SER A 26 40.107 2.718 11.413 1.00 1.00 C ATOM 374 OG SER A 26 39.969 4.042 11.911 1.00 1.00 O ATOM 0 H SER A 26 41.708 0.477 10.648 1.00 1.00 H new ATOM 0 HA SER A 26 41.653 3.371 10.063 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.328 2.510 10.680 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.984 1.998 12.222 1.00 1.00 H new ATOM 0 HG SER A 26 39.085 4.147 12.320 1.00 1.00 H new ATOM 380 N SER A 27 42.565 1.633 12.738 1.00 1.00 N ATOM 381 CA SER A 27 43.544 1.588 13.818 1.00 1.00 C ATOM 382 C SER A 27 43.745 0.156 14.301 1.00 1.00 C ATOM 383 O SER A 27 44.233 -0.074 15.408 1.00 1.00 O ATOM 384 CB SER A 27 43.077 2.461 14.983 1.00 1.00 C ATOM 385 OG SER A 27 43.091 3.825 14.583 1.00 1.00 O ATOM 0 H SER A 27 41.908 0.853 12.727 1.00 1.00 H new ATOM 0 HA SER A 27 44.493 1.967 13.438 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.072 2.170 15.290 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.728 2.316 15.845 1.00 1.00 H new ATOM 0 HG SER A 27 43.331 3.885 13.635 1.00 1.00 H new ATOM 391 N GLY A 28 43.364 -0.804 13.465 1.00 1.00 N ATOM 392 CA GLY A 28 43.506 -2.212 13.818 1.00 1.00 C ATOM 393 C GLY A 28 42.277 -2.713 14.568 1.00 1.00 C ATOM 394 O GLY A 28 42.234 -3.860 15.013 1.00 1.00 O ATOM 0 H GLY A 28 42.957 -0.635 12.545 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.652 -2.804 12.915 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.394 -2.348 14.435 1.00 1.00 H new ATOM 398 N ALA A 29 41.278 -1.847 14.703 1.00 1.00 N ATOM 399 CA ALA A 29 40.052 -2.213 15.402 1.00 1.00 C ATOM 400 C ALA A 29 40.366 -2.729 16.802 1.00 1.00 C ATOM 401 O ALA A 29 39.734 -3.669 17.284 1.00 1.00 O ATOM 402 CB ALA A 29 39.306 -3.292 14.615 1.00 1.00 C ATOM 0 H ALA A 29 41.293 -0.894 14.340 1.00 1.00 H new ATOM 0 HA ALA A 29 39.426 -1.325 15.487 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.391 -3.561 15.143 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.055 -2.912 13.625 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.940 -4.173 14.516 1.00 1.00 H new ATOM 408 N LEU A 30 41.347 -2.107 17.450 1.00 1.00 N ATOM 409 CA LEU A 30 41.739 -2.509 18.796 1.00 1.00 C ATOM 410 C LEU A 30 41.904 -1.285 19.691 1.00 1.00 C ATOM 411 O LEU A 30 41.752 -1.370 20.910 1.00 1.00 O ATOM 412 CB LEU A 30 43.055 -3.289 18.746 1.00 1.00 C ATOM 413 CG LEU A 30 42.783 -4.719 18.277 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.998 -5.246 17.512 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.521 -5.613 19.491 1.00 1.00 C ATOM 0 H LEU A 30 41.882 -1.327 17.067 1.00 1.00 H new ATOM 0 HA LEU A 30 40.956 -3.145 19.209 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.755 -2.800 18.068 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.521 -3.301 19.731 1.00 1.00 H new ATOM 0 HG LEU A 30 41.911 -4.726 17.624 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.804 -6.265 17.178 1.00 1.00 H new ATOM 0 HD12 LEU A 30 44.187 -4.610 16.647 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.871 -5.238 18.165 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.327 -6.632 19.157 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.394 -5.605 20.144 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.655 -5.239 20.038 1.00 1.00 H new ATOM 427 N ILE A 31 42.211 -0.147 19.078 1.00 1.00 N ATOM 428 CA ILE A 31 42.391 1.090 19.827 1.00 1.00 C ATOM 429 C ILE A 31 41.043 1.775 20.077 1.00 1.00 C ATOM 430 O ILE A 31 40.809 2.307 21.162 1.00 1.00 O ATOM 431 CB ILE A 31 43.357 2.023 19.067 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.716 2.045 19.787 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.801 3.455 18.966 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.616 2.812 21.112 1.00 1.00 C ATOM 0 H ILE A 31 42.340 -0.056 18.070 1.00 1.00 H new ATOM 0 HA ILE A 31 42.826 0.856 20.799 1.00 1.00 H new ATOM 0 HB ILE A 31 43.474 1.638 18.054 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.049 1.025 19.976 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.465 2.511 19.147 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.509 4.083 18.425 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.849 3.439 18.435 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.651 3.858 19.967 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.588 2.815 21.605 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.305 3.838 20.916 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.883 2.328 21.758 1.00 1.00 H new ATOM 446 N PRO A 32 40.159 1.778 19.108 1.00 1.00 N ATOM 447 CA PRO A 32 38.818 2.422 19.252 1.00 1.00 C ATOM 448 C PRO A 32 38.019 1.827 20.408 1.00 1.00 C ATOM 449 O PRO A 32 37.301 2.539 21.111 1.00 1.00 O ATOM 450 CB PRO A 32 38.123 2.152 17.913 1.00 1.00 C ATOM 451 CG PRO A 32 39.214 1.815 16.953 1.00 1.00 C ATOM 452 CD PRO A 32 40.328 1.176 17.776 1.00 1.00 C ATOM 0 HA PRO A 32 38.903 3.485 19.479 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.411 1.332 18.000 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.564 3.026 17.579 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.857 1.130 16.184 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.572 2.709 16.442 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.230 0.091 17.810 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.311 1.394 17.359 1.00 1.00 H new ATOM 460 N ALA A 33 38.149 0.518 20.600 1.00 1.00 N ATOM 461 CA ALA A 33 37.435 -0.161 21.675 1.00 1.00 C ATOM 462 C ALA A 33 37.831 0.420 23.029 1.00 1.00 C ATOM 463 O ALA A 33 37.035 0.433 23.967 1.00 1.00 O ATOM 464 CB ALA A 33 37.749 -1.657 21.648 1.00 1.00 C ATOM 0 H ALA A 33 38.737 -0.090 20.030 1.00 1.00 H new ATOM 0 HA ALA A 33 36.365 -0.013 21.526 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.212 -2.156 22.454 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.439 -2.077 20.691 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.821 -1.806 21.779 1.00 1.00 H new ATOM 470 N ILE A 34 39.067 0.900 23.121 1.00 1.00 N ATOM 471 CA ILE A 34 39.560 1.482 24.364 1.00 1.00 C ATOM 472 C ILE A 34 39.206 2.964 24.438 1.00 1.00 C ATOM 473 O ILE A 34 38.855 3.476 25.501 1.00 1.00 O ATOM 474 CB ILE A 34 41.077 1.313 24.454 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.425 -0.178 24.443 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.585 1.944 25.752 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.898 -0.356 24.071 1.00 1.00 C ATOM 0 H ILE A 34 39.741 0.898 22.356 1.00 1.00 H new ATOM 0 HA ILE A 34 39.087 0.964 25.199 1.00 1.00 H new ATOM 0 HB ILE A 34 41.548 1.804 23.602 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.231 -0.615 25.423 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.792 -0.705 23.728 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.666 1.824 25.816 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.337 3.005 25.762 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.114 1.453 26.604 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.146 -1.417 24.063 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.077 0.066 23.082 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.523 0.157 24.802 1.00 1.00 H new ATOM 489 N TYR A 35 39.300 3.646 23.301 1.00 1.00 N ATOM 490 CA TYR A 35 38.987 5.070 23.248 1.00 1.00 C ATOM 491 C TYR A 35 37.593 5.332 23.809 1.00 1.00 C ATOM 492 O TYR A 35 37.363 6.336 24.483 1.00 1.00 O ATOM 493 CB TYR A 35 39.060 5.568 21.804 1.00 1.00 C ATOM 494 CG TYR A 35 39.810 6.877 21.760 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.207 6.887 21.860 1.00 1.00 C ATOM 496 CD2 TYR A 35 39.110 8.081 21.619 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.902 8.102 21.819 1.00 1.00 C ATOM 498 CE2 TYR A 35 39.805 9.295 21.579 1.00 1.00 C ATOM 499 CZ TYR A 35 41.202 9.306 21.679 1.00 1.00 C ATOM 500 OH TYR A 35 41.887 10.502 21.639 1.00 1.00 O ATOM 0 H TYR A 35 39.588 3.240 22.411 1.00 1.00 H new ATOM 0 HA TYR A 35 39.717 5.607 23.854 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.560 4.829 21.178 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.055 5.699 21.402 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.748 5.958 21.969 1.00 1.00 H new ATOM 0 HD2 TYR A 35 38.033 8.073 21.541 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.979 8.110 21.895 1.00 1.00 H new ATOM 0 HE2 TYR A 35 39.264 10.224 21.471 1.00 1.00 H new ATOM 0 HH TYR A 35 41.251 11.240 21.537 1.00 1.00 H new ATOM 510 N MET A 36 36.666 4.422 23.526 1.00 1.00 N ATOM 511 CA MET A 36 35.298 4.564 24.008 1.00 1.00 C ATOM 512 C MET A 36 35.218 4.238 25.495 1.00 1.00 C ATOM 513 O MET A 36 34.614 4.978 26.271 1.00 1.00 O ATOM 514 CB MET A 36 34.369 3.631 23.228 1.00 1.00 C ATOM 515 CG MET A 36 34.328 4.059 21.761 1.00 1.00 C ATOM 516 SD MET A 36 32.631 4.500 21.309 1.00 1.00 S ATOM 517 CE MET A 36 32.900 6.281 21.130 1.00 1.00 C ATOM 0 H MET A 36 36.836 3.584 22.969 1.00 1.00 H new ATOM 0 HA MET A 36 34.985 5.597 23.857 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.720 2.602 23.308 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.366 3.660 23.654 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.991 4.909 21.600 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.687 3.250 21.125 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.964 6.764 20.848 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.250 6.693 22.076 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.648 6.460 20.357 1.00 1.00 H new ATOM 527 N LEU A 37 35.833 3.126 25.885 1.00 1.00 N ATOM 528 CA LEU A 37 35.824 2.715 27.283 1.00 1.00 C ATOM 529 C LEU A 37 36.246 3.875 28.178 1.00 1.00 C ATOM 530 O LEU A 37 35.888 3.928 29.355 1.00 1.00 O ATOM 531 CB LEU A 37 36.778 1.532 27.484 1.00 1.00 C ATOM 532 CG LEU A 37 36.630 0.973 28.906 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.229 0.382 29.102 1.00 1.00 C ATOM 534 CD2 LEU A 37 37.675 -0.122 29.129 1.00 1.00 C ATOM 0 H LEU A 37 36.339 2.499 25.259 1.00 1.00 H new ATOM 0 HA LEU A 37 34.812 2.412 27.553 1.00 1.00 H new ATOM 0 HB2 LEU A 37 36.562 0.752 26.754 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.807 1.851 27.315 1.00 1.00 H new ATOM 0 HG LEU A 37 36.777 1.782 29.622 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.138 -0.011 30.115 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.481 1.159 28.946 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.070 -0.423 28.385 1.00 1.00 H new ATOM 0 HD21 LEU A 37 37.573 -0.522 30.138 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.524 -0.922 28.405 1.00 1.00 H new ATOM 0 HD23 LEU A 37 38.673 0.297 29.004 1.00 1.00 H new ATOM 546 N VAL A 38 37.006 4.806 27.611 1.00 1.00 N ATOM 547 CA VAL A 38 37.469 5.965 28.364 1.00 1.00 C ATOM 548 C VAL A 38 36.595 7.178 28.065 1.00 1.00 C ATOM 549 O VAL A 38 36.682 8.201 28.744 1.00 1.00 O ATOM 550 CB VAL A 38 38.922 6.278 28.003 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.386 7.514 28.775 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.806 5.085 28.372 1.00 1.00 C ATOM 0 H VAL A 38 37.313 4.781 26.639 1.00 1.00 H new ATOM 0 HA VAL A 38 37.403 5.735 29.427 1.00 1.00 H new ATOM 0 HB VAL A 38 38.997 6.470 26.933 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.421 7.736 28.517 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.756 8.364 28.513 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.311 7.323 29.846 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.842 5.307 28.115 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.730 4.893 29.442 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.476 4.204 27.822 1.00 1.00 H new ATOM 562 N PHE A 39 35.753 7.056 27.043 1.00 1.00 N ATOM 563 CA PHE A 39 34.867 8.149 26.661 1.00 1.00 C ATOM 564 C PHE A 39 33.546 8.057 27.417 1.00 1.00 C ATOM 565 O PHE A 39 33.254 8.885 28.280 1.00 1.00 O ATOM 566 CB PHE A 39 34.598 8.103 25.156 1.00 1.00 C ATOM 567 CG PHE A 39 34.074 9.442 24.696 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.956 10.513 24.508 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.705 9.613 24.457 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.470 11.754 24.081 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.219 10.855 24.030 1.00 1.00 C ATOM 572 CZ PHE A 39 33.101 11.925 23.843 1.00 1.00 C ATOM 0 H PHE A 39 35.666 6.218 26.469 1.00 1.00 H new ATOM 0 HA PHE A 39 35.354 9.091 26.914 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.514 7.856 24.620 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.874 7.320 24.929 1.00 1.00 H new ATOM 0 HD1 PHE A 39 36.012 10.381 24.693 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.024 8.787 24.602 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.151 12.580 23.935 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.163 10.987 23.845 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.726 12.883 23.515 1.00 1.00 H new ATOM 582 N LEU A 40 32.750 7.044 27.089 1.00 1.00 N ATOM 583 CA LEU A 40 31.461 6.856 27.745 1.00 1.00 C ATOM 584 C LEU A 40 31.612 6.939 29.261 1.00 1.00 C ATOM 585 O LEU A 40 30.660 7.262 29.972 1.00 1.00 O ATOM 586 CB LEU A 40 30.855 5.502 27.356 1.00 1.00 C ATOM 587 CG LEU A 40 31.834 4.368 27.681 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.402 3.674 28.974 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.827 3.351 26.538 1.00 1.00 C ATOM 0 H LEU A 40 32.972 6.346 26.379 1.00 1.00 H new ATOM 0 HA LEU A 40 30.793 7.651 27.415 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.918 5.348 27.892 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.619 5.494 26.292 1.00 1.00 H new ATOM 0 HG LEU A 40 32.836 4.778 27.804 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.098 2.868 29.204 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.399 4.396 29.791 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.400 3.263 28.849 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.522 2.543 26.766 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.823 2.943 26.420 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.131 3.841 25.613 1.00 1.00 H new ATOM 601 N LEU A 41 32.813 6.648 29.751 1.00 1.00 N ATOM 602 CA LEU A 41 33.075 6.697 31.185 1.00 1.00 C ATOM 603 C LEU A 41 32.827 8.102 31.725 1.00 1.00 C ATOM 604 O LEU A 41 32.443 8.274 32.882 1.00 1.00 O ATOM 605 CB LEU A 41 34.526 6.292 31.462 1.00 1.00 C ATOM 606 CG LEU A 41 34.583 4.852 31.984 1.00 1.00 C ATOM 607 CD1 LEU A 41 33.958 4.776 33.380 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.816 3.929 31.033 1.00 1.00 C ATOM 0 H LEU A 41 33.615 6.378 29.181 1.00 1.00 H new ATOM 0 HA LEU A 41 32.400 6.002 31.685 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.116 6.380 30.550 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.967 6.969 32.193 1.00 1.00 H new ATOM 0 HG LEU A 41 35.625 4.536 32.039 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.003 3.749 33.743 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.508 5.426 34.061 1.00 1.00 H new ATOM 0 HD13 LEU A 41 32.918 5.099 33.331 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.858 2.906 31.406 1.00 1.00 H new ATOM 0 HD22 LEU A 41 32.776 4.251 30.973 1.00 1.00 H new ATOM 0 HD23 LEU A 41 34.267 3.972 30.042 1.00 1.00 H new ATOM 620 N GLY A 42 33.051 9.104 30.881 1.00 1.00 N ATOM 621 CA GLY A 42 32.850 10.490 31.285 1.00 1.00 C ATOM 622 C GLY A 42 31.525 11.027 30.755 1.00 1.00 C ATOM 623 O GLY A 42 30.901 11.889 31.374 1.00 1.00 O ATOM 0 H GLY A 42 33.370 8.983 29.920 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.867 10.562 32.373 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.670 11.104 30.913 1.00 1.00 H new ATOM 627 N THR A 43 31.100 10.512 29.606 1.00 1.00 N ATOM 628 CA THR A 43 29.847 10.948 29.001 1.00 1.00 C ATOM 629 C THR A 43 28.743 9.928 29.261 1.00 1.00 C ATOM 630 O THR A 43 28.640 9.378 30.357 1.00 1.00 O ATOM 631 CB THR A 43 30.030 11.132 27.493 1.00 1.00 C ATOM 632 OG1 THR A 43 30.031 9.860 26.860 1.00 1.00 O ATOM 633 CG2 THR A 43 31.358 11.840 27.222 1.00 1.00 C ATOM 0 H THR A 43 31.601 9.797 29.078 1.00 1.00 H new ATOM 0 HA THR A 43 29.561 11.899 29.450 1.00 1.00 H new ATOM 0 HB THR A 43 29.212 11.735 27.097 1.00 1.00 H new ATOM 0 HG1 THR A 43 30.784 9.806 26.235 1.00 1.00 H new ATOM 0 HG21 THR A 43 31.488 11.971 26.148 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.356 12.815 27.709 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.178 11.239 27.616 1.00 1.00 H new ATOM 641 N THR A 44 27.922 9.683 28.245 1.00 1.00 N ATOM 642 CA THR A 44 26.827 8.727 28.372 1.00 1.00 C ATOM 643 C THR A 44 25.912 9.109 29.532 1.00 1.00 C ATOM 644 O THR A 44 24.851 9.700 29.330 1.00 1.00 O ATOM 645 CB THR A 44 27.383 7.319 28.598 1.00 1.00 C ATOM 646 OG1 THR A 44 28.263 6.983 27.535 1.00 1.00 O ATOM 647 CG2 THR A 44 26.231 6.315 28.647 1.00 1.00 C ATOM 0 H THR A 44 27.993 10.129 27.331 1.00 1.00 H new ATOM 0 HA THR A 44 26.248 8.743 27.448 1.00 1.00 H new ATOM 0 HB THR A 44 27.926 7.290 29.542 1.00 1.00 H new ATOM 0 HG1 THR A 44 28.054 6.083 27.209 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.628 5.313 28.808 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.557 6.574 29.464 1.00 1.00 H new ATOM 0 HG23 THR A 44 25.685 6.342 27.704 1.00 1.00 H new ATOM 655 N GLY A 45 26.332 8.769 30.746 1.00 1.00 N ATOM 656 CA GLY A 45 25.543 9.082 31.932 1.00 1.00 C ATOM 657 C GLY A 45 26.448 9.365 33.126 1.00 1.00 C ATOM 658 O GLY A 45 26.311 8.745 34.181 1.00 1.00 O ATOM 0 H GLY A 45 27.207 8.280 30.934 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.911 9.948 31.736 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.879 8.249 32.163 1.00 1.00 H new ATOM 662 N ASN A 46 27.372 10.304 32.952 1.00 1.00 N ATOM 663 CA ASN A 46 28.296 10.660 34.023 1.00 1.00 C ATOM 664 C ASN A 46 28.647 12.143 33.957 1.00 1.00 C ATOM 665 O ASN A 46 29.289 12.598 33.010 1.00 1.00 O ATOM 666 CB ASN A 46 29.573 9.826 33.909 1.00 1.00 C ATOM 667 CG ASN A 46 29.220 8.372 33.617 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.547 7.723 34.417 1.00 1.00 O ATOM 669 ND2 ASN A 46 29.635 7.819 32.510 1.00 1.00 N ATOM 0 H ASN A 46 27.501 10.829 32.087 1.00 1.00 H new ATOM 0 HA ASN A 46 27.812 10.455 34.978 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.206 10.222 33.115 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.144 9.892 34.835 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.402 6.847 32.307 1.00 1.00 H new ATOM 0 HD22 ASN A 46 30.193 8.359 31.848 1.00 1.00 H new ATOM 676 N GLY A 47 28.221 12.892 34.969 1.00 1.00 N ATOM 677 CA GLY A 47 28.497 14.323 35.016 1.00 1.00 C ATOM 678 C GLY A 47 27.413 15.111 34.289 1.00 1.00 C ATOM 679 O GLY A 47 27.029 16.198 34.719 1.00 1.00 O ATOM 0 H GLY A 47 27.687 12.535 35.762 1.00 1.00 H new ATOM 0 HA2 GLY A 47 28.557 14.652 36.053 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.466 14.525 34.561 1.00 1.00 H new ATOM 683 N LEU A 48 26.925 14.556 33.185 1.00 1.00 N ATOM 684 CA LEU A 48 25.885 15.217 32.405 1.00 1.00 C ATOM 685 C LEU A 48 24.504 14.871 32.953 1.00 1.00 C ATOM 686 O LEU A 48 23.519 15.546 32.652 1.00 1.00 O ATOM 687 CB LEU A 48 25.977 14.787 30.940 1.00 1.00 C ATOM 688 CG LEU A 48 26.358 15.992 30.077 1.00 1.00 C ATOM 689 CD1 LEU A 48 26.610 15.531 28.640 1.00 1.00 C ATOM 690 CD2 LEU A 48 25.215 17.010 30.091 1.00 1.00 C ATOM 0 H LEU A 48 27.230 13.657 32.812 1.00 1.00 H new ATOM 0 HA LEU A 48 26.033 16.295 32.476 1.00 1.00 H new ATOM 0 HB2 LEU A 48 26.719 13.997 30.828 1.00 1.00 H new ATOM 0 HB3 LEU A 48 25.023 14.377 30.610 1.00 1.00 H new ATOM 0 HG LEU A 48 27.262 16.453 30.475 1.00 1.00 H new ATOM 0 HD11 LEU A 48 26.881 16.389 28.025 1.00 1.00 H new ATOM 0 HD12 LEU A 48 27.423 14.805 28.628 1.00 1.00 H new ATOM 0 HD13 LEU A 48 25.706 15.071 28.242 1.00 1.00 H new ATOM 0 HD21 LEU A 48 25.485 17.869 29.477 1.00 1.00 H new ATOM 0 HD22 LEU A 48 24.312 16.548 29.692 1.00 1.00 H new ATOM 0 HD23 LEU A 48 25.033 17.339 31.114 1.00 1.00 H new ATOM 702 N VAL A 49 24.439 13.816 33.759 1.00 1.00 N ATOM 703 CA VAL A 49 23.172 13.391 34.344 1.00 1.00 C ATOM 704 C VAL A 49 22.763 14.328 35.475 1.00 1.00 C ATOM 705 O VAL A 49 21.872 15.162 35.311 1.00 1.00 O ATOM 706 CB VAL A 49 23.298 11.965 34.881 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.132 11.670 35.826 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.268 10.976 33.713 1.00 1.00 C ATOM 0 H VAL A 49 25.242 13.244 34.020 1.00 1.00 H new ATOM 0 HA VAL A 49 22.407 13.421 33.568 1.00 1.00 H new ATOM 0 HB VAL A 49 24.239 11.863 35.421 1.00 1.00 H new ATOM 0 HG11 VAL A 49 22.222 10.653 36.209 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.151 12.374 36.658 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.191 11.772 35.286 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.358 9.959 34.095 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.327 11.079 33.173 1.00 1.00 H new ATOM 0 HG23 VAL A 49 24.098 11.185 33.038 1.00 1.00 H new ATOM 718 N LEU A 50 23.419 14.186 36.622 1.00 1.00 N ATOM 719 CA LEU A 50 23.114 15.027 37.774 1.00 1.00 C ATOM 720 C LEU A 50 23.046 16.494 37.362 1.00 1.00 C ATOM 721 O LEU A 50 22.547 17.336 38.109 1.00 1.00 O ATOM 722 CB LEU A 50 24.186 14.845 38.850 1.00 1.00 C ATOM 723 CG LEU A 50 25.572 15.006 38.224 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.370 16.050 39.007 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.308 13.665 38.268 1.00 1.00 C ATOM 0 H LEU A 50 24.160 13.502 36.778 1.00 1.00 H new ATOM 0 HA LEU A 50 22.145 14.729 38.173 1.00 1.00 H new ATOM 0 HB2 LEU A 50 24.047 15.578 39.644 1.00 1.00 H new ATOM 0 HB3 LEU A 50 24.094 13.859 39.307 1.00 1.00 H new ATOM 0 HG LEU A 50 25.467 15.332 37.189 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.358 16.164 38.560 1.00 1.00 H new ATOM 0 HD12 LEU A 50 25.846 17.005 38.978 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.476 15.726 40.042 1.00 1.00 H new ATOM 0 HD21 LEU A 50 27.296 13.778 37.822 1.00 1.00 H new ATOM 0 HD22 LEU A 50 26.412 13.341 39.303 1.00 1.00 H new ATOM 0 HD23 LEU A 50 25.741 12.920 37.710 1.00 1.00 H new ATOM 737 N TRP A 51 23.551 16.792 36.169 1.00 1.00 N ATOM 738 CA TRP A 51 23.542 18.161 35.667 1.00 1.00 C ATOM 739 C TRP A 51 22.121 18.595 35.322 1.00 1.00 C ATOM 740 O TRP A 51 21.660 19.649 35.761 1.00 1.00 O ATOM 741 CB TRP A 51 24.427 18.266 34.424 1.00 1.00 C ATOM 742 CG TRP A 51 23.794 19.193 33.436 1.00 1.00 C ATOM 743 CD1 TRP A 51 22.877 18.831 32.509 1.00 1.00 C ATOM 744 CD2 TRP A 51 24.012 20.622 33.260 1.00 1.00 C ATOM 745 NE1 TRP A 51 22.519 19.947 31.775 1.00 1.00 N ATOM 746 CE2 TRP A 51 23.191 21.076 32.200 1.00 1.00 C ATOM 747 CE3 TRP A 51 24.834 21.560 33.910 1.00 1.00 C ATOM 748 CZ2 TRP A 51 23.186 22.413 31.800 1.00 1.00 C ATOM 749 CZ3 TRP A 51 24.831 22.907 33.510 1.00 1.00 C ATOM 750 CH2 TRP A 51 24.009 23.332 32.457 1.00 1.00 C ATOM 0 H TRP A 51 23.969 16.110 35.536 1.00 1.00 H new ATOM 0 HA TRP A 51 23.931 18.817 36.446 1.00 1.00 H new ATOM 0 HB2 TRP A 51 25.416 18.632 34.699 1.00 1.00 H new ATOM 0 HB3 TRP A 51 24.564 17.281 33.978 1.00 1.00 H new ATOM 0 HD1 TRP A 51 22.488 17.834 32.366 1.00 1.00 H new ATOM 0 HE1 TRP A 51 21.841 19.937 31.013 1.00 1.00 H new ATOM 0 HE3 TRP A 51 25.472 21.243 34.722 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 22.551 22.735 30.988 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 25.466 23.619 34.017 1.00 1.00 H new ATOM 0 HH2 TRP A 51 24.012 24.369 32.154 1.00 1.00 H new ATOM 761 N THR A 52 21.432 17.777 34.533 1.00 1.00 N ATOM 762 CA THR A 52 20.064 18.087 34.135 1.00 1.00 C ATOM 763 C THR A 52 19.155 18.162 35.358 1.00 1.00 C ATOM 764 O THR A 52 18.101 18.799 35.322 1.00 1.00 O ATOM 765 CB THR A 52 19.543 17.015 33.175 1.00 1.00 C ATOM 766 OG1 THR A 52 18.520 17.569 32.359 1.00 1.00 O ATOM 767 CG2 THR A 52 18.980 15.838 33.974 1.00 1.00 C ATOM 0 H THR A 52 21.795 16.900 34.159 1.00 1.00 H new ATOM 0 HA THR A 52 20.062 19.055 33.634 1.00 1.00 H new ATOM 0 HB THR A 52 20.361 16.664 32.546 1.00 1.00 H new ATOM 0 HG1 THR A 52 18.186 16.884 31.743 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.610 15.076 33.288 1.00 1.00 H new ATOM 0 HG22 THR A 52 19.766 15.413 34.598 1.00 1.00 H new ATOM 0 HG23 THR A 52 18.163 16.185 34.606 1.00 1.00 H new ATOM 775 N VAL A 53 19.569 17.507 36.437 1.00 1.00 N ATOM 776 CA VAL A 53 18.784 17.503 37.666 1.00 1.00 C ATOM 777 C VAL A 53 18.778 18.888 38.306 1.00 1.00 C ATOM 778 O VAL A 53 17.719 19.447 38.589 1.00 1.00 O ATOM 779 CB VAL A 53 19.364 16.487 38.651 1.00 1.00 C ATOM 780 CG1 VAL A 53 18.552 16.508 39.947 1.00 1.00 C ATOM 781 CG2 VAL A 53 19.302 15.088 38.034 1.00 1.00 C ATOM 0 H VAL A 53 20.438 16.975 36.486 1.00 1.00 H new ATOM 0 HA VAL A 53 17.759 17.227 37.418 1.00 1.00 H new ATOM 0 HB VAL A 53 20.400 16.744 38.869 1.00 1.00 H new ATOM 0 HG11 VAL A 53 18.967 15.783 40.648 1.00 1.00 H new ATOM 0 HG12 VAL A 53 18.595 17.504 40.387 1.00 1.00 H new ATOM 0 HG13 VAL A 53 17.515 16.251 39.731 1.00 1.00 H new ATOM 0 HG21 VAL A 53 19.715 14.363 38.735 1.00 1.00 H new ATOM 0 HG22 VAL A 53 18.265 14.832 37.816 1.00 1.00 H new ATOM 0 HG23 VAL A 53 19.882 15.071 37.111 1.00 1.00 H new ATOM 791 N PHE A 54 19.967 19.435 38.533 1.00 1.00 N ATOM 792 CA PHE A 54 20.087 20.754 39.144 1.00 1.00 C ATOM 793 C PHE A 54 19.837 21.850 38.110 1.00 1.00 C ATOM 794 O PHE A 54 20.246 22.997 38.295 1.00 1.00 O ATOM 795 CB PHE A 54 21.483 20.917 39.753 1.00 1.00 C ATOM 796 CG PHE A 54 21.442 20.519 41.208 1.00 1.00 C ATOM 797 CD1 PHE A 54 20.772 21.328 42.134 1.00 1.00 C ATOM 798 CD2 PHE A 54 22.070 19.342 41.633 1.00 1.00 C ATOM 799 CE1 PHE A 54 20.731 20.960 43.484 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.029 18.974 42.983 1.00 1.00 C ATOM 801 CZ PHE A 54 21.359 19.783 43.909 1.00 1.00 C ATOM 0 H PHE A 54 20.856 18.990 38.305 1.00 1.00 H new ATOM 0 HA PHE A 54 19.338 20.844 39.930 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.201 20.299 39.215 1.00 1.00 H new ATOM 0 HB3 PHE A 54 21.816 21.950 39.656 1.00 1.00 H new ATOM 0 HD1 PHE A 54 20.287 22.236 41.807 1.00 1.00 H new ATOM 0 HD2 PHE A 54 22.586 18.718 40.919 1.00 1.00 H new ATOM 0 HE1 PHE A 54 20.215 21.584 44.198 1.00 1.00 H new ATOM 0 HE2 PHE A 54 22.514 18.066 43.310 1.00 1.00 H new ATOM 0 HZ PHE A 54 21.327 19.499 44.951 1.00 1.00 H new ATOM 811 N ARG A 55 19.160 21.487 37.022 1.00 1.00 N ATOM 812 CA ARG A 55 18.857 22.444 35.961 1.00 1.00 C ATOM 813 C ARG A 55 17.353 22.537 35.728 1.00 1.00 C ATOM 814 O ARG A 55 16.876 23.459 35.066 1.00 1.00 O ATOM 815 CB ARG A 55 19.553 22.021 34.666 1.00 1.00 C ATOM 816 CG ARG A 55 20.607 23.065 34.288 1.00 1.00 C ATOM 817 CD ARG A 55 19.922 24.387 33.931 1.00 1.00 C ATOM 818 NE ARG A 55 20.355 25.441 34.842 1.00 1.00 N ATOM 819 CZ ARG A 55 20.257 26.723 34.508 1.00 1.00 C ATOM 820 NH1 ARG A 55 19.766 27.059 33.346 1.00 1.00 N ATOM 821 NH2 ARG A 55 20.652 27.647 35.341 1.00 1.00 N ATOM 0 H ARG A 55 18.813 20.543 36.853 1.00 1.00 H new ATOM 0 HA ARG A 55 19.222 23.424 36.268 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.022 21.045 34.795 1.00 1.00 H new ATOM 0 HB3 ARG A 55 18.822 21.920 33.864 1.00 1.00 H new ATOM 0 HG2 ARG A 55 21.298 23.215 35.118 1.00 1.00 H new ATOM 0 HG3 ARG A 55 21.197 22.710 33.443 1.00 1.00 H new ATOM 0 HD2 ARG A 55 20.161 24.663 32.904 1.00 1.00 H new ATOM 0 HD3 ARG A 55 18.840 24.271 33.986 1.00 1.00 H new ATOM 0 HE ARG A 55 20.740 25.189 35.752 1.00 1.00 H new ATOM 0 HH11 ARG A 55 19.458 26.337 32.695 1.00 1.00 H new ATOM 0 HH12 ARG A 55 19.691 28.043 33.089 1.00 1.00 H new ATOM 0 HH21 ARG A 55 21.036 27.385 36.249 1.00 1.00 H new ATOM 0 HH22 ARG A 55 20.577 28.631 35.084 1.00 1.00 H new ATOM 835 N LYS A 56 16.610 21.579 36.275 1.00 1.00 N ATOM 836 CA LYS A 56 15.160 21.570 36.117 1.00 1.00 C ATOM 837 C LYS A 56 14.479 22.069 37.387 1.00 1.00 C ATOM 838 O LYS A 56 13.511 22.826 37.325 1.00 1.00 O ATOM 839 CB LYS A 56 14.679 20.155 35.788 1.00 1.00 C ATOM 840 CG LYS A 56 14.671 19.305 37.059 1.00 1.00 C ATOM 841 CD LYS A 56 14.602 17.824 36.681 1.00 1.00 C ATOM 842 CE LYS A 56 14.632 16.970 37.950 1.00 1.00 C ATOM 843 NZ LYS A 56 13.661 17.517 38.940 1.00 1.00 N ATOM 0 H LYS A 56 16.984 20.806 36.826 1.00 1.00 H new ATOM 0 HA LYS A 56 14.897 22.238 35.297 1.00 1.00 H new ATOM 0 HB2 LYS A 56 13.678 20.192 35.357 1.00 1.00 H new ATOM 0 HB3 LYS A 56 15.331 19.703 35.041 1.00 1.00 H new ATOM 0 HG2 LYS A 56 15.569 19.500 37.646 1.00 1.00 H new ATOM 0 HG3 LYS A 56 13.818 19.572 37.683 1.00 1.00 H new ATOM 0 HD2 LYS A 56 13.691 17.624 36.117 1.00 1.00 H new ATOM 0 HD3 LYS A 56 15.440 17.563 36.035 1.00 1.00 H new ATOM 0 HE2 LYS A 56 14.381 15.936 37.712 1.00 1.00 H new ATOM 0 HE3 LYS A 56 15.636 16.965 38.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 13.504 16.819 39.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.042 18.393 39.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 12.759 17.722 38.465 1.00 1.00 H new ATOM 857 N LYS A 57 14.993 21.647 38.539 1.00 1.00 N ATOM 858 CA LYS A 57 14.423 22.070 39.813 1.00 1.00 C ATOM 859 C LYS A 57 15.092 23.352 40.291 1.00 1.00 C ATOM 860 O LYS A 57 15.334 23.533 41.484 1.00 1.00 O ATOM 861 CB LYS A 57 14.601 20.977 40.867 1.00 1.00 C ATOM 862 CG LYS A 57 16.081 20.608 40.980 1.00 1.00 C ATOM 863 CD LYS A 57 16.245 19.099 40.798 1.00 1.00 C ATOM 864 CE LYS A 57 15.511 18.366 41.923 1.00 1.00 C ATOM 865 NZ LYS A 57 16.472 17.493 42.656 1.00 1.00 N ATOM 0 H LYS A 57 15.794 21.020 38.616 1.00 1.00 H new ATOM 0 HA LYS A 57 13.359 22.254 39.667 1.00 1.00 H new ATOM 0 HB2 LYS A 57 14.228 21.323 41.831 1.00 1.00 H new ATOM 0 HB3 LYS A 57 14.016 20.098 40.596 1.00 1.00 H new ATOM 0 HG2 LYS A 57 16.658 21.141 40.225 1.00 1.00 H new ATOM 0 HG3 LYS A 57 16.470 20.912 41.952 1.00 1.00 H new ATOM 0 HD2 LYS A 57 15.847 18.793 39.830 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.302 18.834 40.806 1.00 1.00 H new ATOM 0 HE2 LYS A 57 15.061 19.085 42.608 1.00 1.00 H new ATOM 0 HE3 LYS A 57 14.699 17.766 41.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 15.986 17.033 43.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 16.843 16.767 42.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 17.259 18.069 43.017 1.00 1.00 H new ATOM 879 N GLY A 58 15.389 24.237 39.348 1.00 1.00 N ATOM 880 CA GLY A 58 16.034 25.503 39.675 1.00 1.00 C ATOM 881 C GLY A 58 15.067 26.438 40.393 1.00 1.00 C ATOM 882 O GLY A 58 14.394 26.040 41.344 1.00 1.00 O ATOM 0 H GLY A 58 15.195 24.103 38.356 1.00 1.00 H new ATOM 0 HA2 GLY A 58 16.904 25.320 40.305 1.00 1.00 H new ATOM 0 HA3 GLY A 58 16.395 25.978 38.763 1.00 1.00 H new ATOM 886 N HIS A 59 15.004 27.683 39.932 1.00 1.00 N ATOM 887 CA HIS A 59 14.115 28.667 40.539 1.00 1.00 C ATOM 888 C HIS A 59 12.835 28.810 39.722 1.00 1.00 C ATOM 889 O HIS A 59 11.737 28.567 40.223 1.00 1.00 O ATOM 890 CB HIS A 59 14.820 30.022 40.628 1.00 1.00 C ATOM 891 CG HIS A 59 15.123 30.337 42.067 1.00 1.00 C ATOM 892 ND1 HIS A 59 14.542 31.409 42.727 1.00 1.00 N ATOM 893 CD2 HIS A 59 15.943 29.730 42.986 1.00 1.00 C ATOM 894 CE1 HIS A 59 15.017 31.415 43.986 1.00 1.00 C ATOM 895 NE2 HIS A 59 15.874 30.413 44.197 1.00 1.00 N ATOM 0 H HIS A 59 15.553 28.032 39.147 1.00 1.00 H new ATOM 0 HA HIS A 59 13.856 28.325 41.541 1.00 1.00 H new ATOM 0 HB2 HIS A 59 15.742 30.003 40.047 1.00 1.00 H new ATOM 0 HB3 HIS A 59 14.189 30.801 40.199 1.00 1.00 H new ATOM 0 HD2 HIS A 59 16.549 28.856 42.798 1.00 1.00 H new ATOM 0 HE1 HIS A 59 14.739 32.142 44.735 1.00 1.00 H new ATOM 0 HE2 HIS A 59 16.371 30.195 45.060 1.00 1.00 H new ATOM 903 N HIS A 60 12.984 29.206 38.462 1.00 1.00 N ATOM 904 CA HIS A 60 11.832 29.378 37.585 1.00 1.00 C ATOM 905 C HIS A 60 10.699 30.084 38.322 1.00 1.00 C ATOM 906 O HIS A 60 10.915 30.712 39.358 1.00 1.00 O ATOM 907 CB HIS A 60 11.348 28.015 37.086 1.00 1.00 C ATOM 908 CG HIS A 60 10.981 28.115 35.631 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.408 29.255 35.089 1.00 1.00 N ATOM 910 CD2 HIS A 60 11.100 27.226 34.591 1.00 1.00 C ATOM 911 CE1 HIS A 60 10.205 29.025 33.779 1.00 1.00 C ATOM 912 NE2 HIS A 60 10.609 27.802 33.423 1.00 1.00 N ATOM 0 H HIS A 60 13.884 29.412 38.028 1.00 1.00 H new ATOM 0 HA HIS A 60 12.134 29.990 36.735 1.00 1.00 H new ATOM 0 HB2 HIS A 60 12.129 27.267 37.225 1.00 1.00 H new ATOM 0 HB3 HIS A 60 10.486 27.688 37.668 1.00 1.00 H new ATOM 0 HD2 HIS A 60 11.512 26.231 34.668 1.00 1.00 H new ATOM 0 HE1 HIS A 60 9.769 29.741 33.098 1.00 1.00 H new ATOM 0 HE2 HIS A 60 10.567 27.381 32.495 1.00 1.00 H new ATOM 920 N HIS A 61 9.490 29.977 37.780 1.00 1.00 N ATOM 921 CA HIS A 61 8.329 30.609 38.395 1.00 1.00 C ATOM 922 C HIS A 61 8.681 32.009 38.890 1.00 1.00 C ATOM 923 O HIS A 61 8.025 32.545 39.783 1.00 1.00 O ATOM 924 CB HIS A 61 7.833 29.762 39.568 1.00 1.00 C ATOM 925 CG HIS A 61 6.341 29.598 39.473 1.00 1.00 C ATOM 926 ND1 HIS A 61 5.469 30.264 40.320 1.00 1.00 N ATOM 927 CD2 HIS A 61 5.551 28.848 38.636 1.00 1.00 C ATOM 928 CE1 HIS A 61 4.218 29.905 39.978 1.00 1.00 C ATOM 929 NE2 HIS A 61 4.211 29.044 38.957 1.00 1.00 N ATOM 0 H HIS A 61 9.290 29.462 36.922 1.00 1.00 H new ATOM 0 HA HIS A 61 7.542 30.687 37.645 1.00 1.00 H new ATOM 0 HB2 HIS A 61 8.318 28.786 39.556 1.00 1.00 H new ATOM 0 HB3 HIS A 61 8.098 30.238 40.512 1.00 1.00 H new ATOM 0 HD2 HIS A 61 5.914 28.204 37.849 1.00 1.00 H new ATOM 0 HE1 HIS A 61 3.328 30.269 40.469 1.00 1.00 H new ATOM 0 HE2 HIS A 61 3.398 28.621 38.509 1.00 1.00 H new ATOM 937 N HIS A 62 9.720 32.594 38.304 1.00 1.00 N ATOM 938 CA HIS A 62 10.151 33.932 38.694 1.00 1.00 C ATOM 939 C HIS A 62 9.016 34.934 38.513 1.00 1.00 C ATOM 940 O HIS A 62 8.037 34.660 37.819 1.00 1.00 O ATOM 941 CB HIS A 62 11.353 34.360 37.849 1.00 1.00 C ATOM 942 CG HIS A 62 12.591 34.358 38.702 1.00 1.00 C ATOM 943 ND1 HIS A 62 13.559 35.345 38.604 1.00 1.00 N ATOM 944 CD2 HIS A 62 13.035 33.494 39.674 1.00 1.00 C ATOM 945 CE1 HIS A 62 14.527 35.055 39.493 1.00 1.00 C ATOM 946 NE2 HIS A 62 14.257 33.937 40.171 1.00 1.00 N ATOM 0 H HIS A 62 10.276 32.167 37.563 1.00 1.00 H new ATOM 0 HA HIS A 62 10.436 33.910 39.746 1.00 1.00 H new ATOM 0 HB2 HIS A 62 11.478 33.681 37.006 1.00 1.00 H new ATOM 0 HB3 HIS A 62 11.185 35.354 37.435 1.00 1.00 H new ATOM 0 HD2 HIS A 62 12.515 32.606 40.002 1.00 1.00 H new ATOM 0 HE1 HIS A 62 15.414 35.654 39.640 1.00 1.00 H new ATOM 0 HE2 HIS A 62 14.825 33.501 40.898 1.00 1.00 H new ATOM 954 N HIS A 63 9.155 36.097 39.141 1.00 1.00 N ATOM 955 CA HIS A 63 8.134 37.134 39.042 1.00 1.00 C ATOM 956 C HIS A 63 7.876 37.495 37.583 1.00 1.00 C ATOM 957 O HIS A 63 8.647 37.126 36.697 1.00 1.00 O ATOM 958 CB HIS A 63 8.581 38.382 39.807 1.00 1.00 C ATOM 959 CG HIS A 63 8.467 38.132 41.285 1.00 1.00 C ATOM 960 ND1 HIS A 63 9.573 38.128 42.122 1.00 1.00 N ATOM 961 CD2 HIS A 63 7.386 37.875 42.092 1.00 1.00 C ATOM 962 CE1 HIS A 63 9.137 37.877 43.370 1.00 1.00 C ATOM 963 NE2 HIS A 63 7.811 37.714 43.407 1.00 1.00 N ATOM 0 H HIS A 63 9.958 36.344 39.720 1.00 1.00 H new ATOM 0 HA HIS A 63 7.211 36.751 39.478 1.00 1.00 H new ATOM 0 HB2 HIS A 63 9.610 38.631 39.548 1.00 1.00 H new ATOM 0 HB3 HIS A 63 7.965 39.235 39.523 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.362 37.808 41.757 1.00 1.00 H new ATOM 0 HE1 HIS A 63 9.780 37.815 44.236 1.00 1.00 H new ATOM 0 HE2 HIS A 63 7.234 37.514 44.224 1.00 1.00 H new ATOM 971 N HIS A 64 6.788 38.218 37.341 1.00 1.00 N ATOM 972 CA HIS A 64 6.437 38.624 35.985 1.00 1.00 C ATOM 973 C HIS A 64 5.259 39.593 36.004 1.00 1.00 C ATOM 974 O HIS A 64 4.490 39.541 36.949 1.00 1.00 O ATOM 975 CB HIS A 64 6.078 37.396 35.147 1.00 1.00 C ATOM 976 CG HIS A 64 4.811 36.781 35.676 1.00 1.00 C ATOM 977 ND1 HIS A 64 3.807 36.321 34.838 1.00 1.00 N ATOM 978 CD2 HIS A 64 4.370 36.544 36.954 1.00 1.00 C ATOM 979 CE1 HIS A 64 2.821 35.835 35.615 1.00 1.00 C ATOM 980 NE2 HIS A 64 3.113 35.947 36.913 1.00 1.00 N ATOM 981 OXT HIS A 64 5.144 40.372 35.072 1.00 1.00 O ATOM 0 H HIS A 64 6.138 38.533 38.061 1.00 1.00 H new ATOM 0 HA HIS A 64 7.298 39.125 35.542 1.00 1.00 H new ATOM 0 HB2 HIS A 64 5.948 37.680 34.103 1.00 1.00 H new ATOM 0 HB3 HIS A 64 6.890 36.669 35.181 1.00 1.00 H new ATOM 0 HD2 HIS A 64 4.915 36.784 37.855 1.00 1.00 H new ATOM 0 HE1 HIS A 64 1.905 35.407 35.235 1.00 1.00 H new ATOM 0 HE2 HIS A 64 2.539 35.657 37.705 1.00 1.00 H new TER 989 HIS A 64