USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 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 17 SER OG : rot -145:sc= 1.51 USER MOD Set 1.2: A 19 CYS SG : rot -63:sc= 0.55! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.168 (180deg=-0.379) USER MOD Single : A 9 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) 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 : amide:sc= -0.31 K(o=-0.31,f=-1.9!) USER MOD Single : A 16 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.0084) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.661 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -53:sc= 1.08 USER MOD Single : A 27 SER OG : rot 94:sc= -0.629! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -146:sc= -1.61 (180deg=-4.16!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.117! USER MOD Single : A 44 THR OG1 : rot -100:sc= -0.815 USER MOD Single : A 46 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.41) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-3.1!) USER MOD Single : A 60 HIS : no HD1:sc= -0.305 K(o=-0.3,f=-5.5!) 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 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.603 -13.905 34.911 1.00 1.00 N ATOM 2 CA MET A 1 21.256 -14.432 35.271 1.00 1.00 C ATOM 3 C MET A 1 20.885 -15.565 34.320 1.00 1.00 C ATOM 4 O MET A 1 20.007 -16.375 34.617 1.00 1.00 O ATOM 5 CB MET A 1 20.227 -13.304 35.167 1.00 1.00 C ATOM 6 CG MET A 1 18.965 -13.692 35.942 1.00 1.00 C ATOM 7 SD MET A 1 19.145 -13.199 37.674 1.00 1.00 S ATOM 8 CE MET A 1 18.672 -14.784 38.410 1.00 1.00 C ATOM 0 H1 MET A 1 22.946 -13.281 35.669 1.00 1.00 H new ATOM 0 H2 MET A 1 23.265 -14.698 34.790 1.00 1.00 H new ATOM 0 H3 MET A 1 22.540 -13.368 34.023 1.00 1.00 H new ATOM 0 HA MET A 1 21.269 -14.813 36.292 1.00 1.00 H new ATOM 0 HB2 MET A 1 20.643 -12.380 35.568 1.00 1.00 H new ATOM 0 HB3 MET A 1 19.982 -13.116 34.122 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.093 -13.207 35.504 1.00 1.00 H new ATOM 0 HG3 MET A 1 18.800 -14.767 35.874 1.00 1.00 H new ATOM 0 HE1 MET A 1 18.714 -14.707 39.497 1.00 1.00 H new ATOM 0 HE2 MET A 1 17.658 -15.040 38.103 1.00 1.00 H new ATOM 0 HE3 MET A 1 19.359 -15.561 38.074 1.00 1.00 H new ATOM 20 N GLU A 2 21.556 -15.610 33.173 1.00 1.00 N ATOM 21 CA GLU A 2 21.291 -16.643 32.180 1.00 1.00 C ATOM 22 C GLU A 2 19.916 -16.437 31.561 1.00 1.00 C ATOM 23 O GLU A 2 18.932 -16.231 32.272 1.00 1.00 O ATOM 24 CB GLU A 2 21.365 -18.032 32.823 1.00 1.00 C ATOM 25 CG GLU A 2 22.472 -18.051 33.879 1.00 1.00 C ATOM 26 CD GLU A 2 23.136 -19.423 33.911 1.00 1.00 C ATOM 27 OE1 GLU A 2 23.649 -19.836 32.883 1.00 1.00 O ATOM 28 OE2 GLU A 2 23.121 -20.043 34.962 1.00 1.00 O ATOM 0 H GLU A 2 22.284 -14.946 32.910 1.00 1.00 H new ATOM 0 HA GLU A 2 22.048 -16.573 31.399 1.00 1.00 H new ATOM 0 HB2 GLU A 2 20.408 -18.283 33.280 1.00 1.00 H new ATOM 0 HB3 GLU A 2 21.562 -18.786 32.061 1.00 1.00 H new ATOM 0 HG2 GLU A 2 23.213 -17.284 33.655 1.00 1.00 H new ATOM 0 HG3 GLU A 2 22.056 -17.816 34.859 1.00 1.00 H new ATOM 35 N GLU A 3 19.856 -16.491 30.235 1.00 1.00 N ATOM 36 CA GLU A 3 18.594 -16.307 29.527 1.00 1.00 C ATOM 37 C GLU A 3 18.247 -14.825 29.426 1.00 1.00 C ATOM 38 O GLU A 3 17.970 -14.172 30.433 1.00 1.00 O ATOM 39 CB GLU A 3 17.473 -17.045 30.261 1.00 1.00 C ATOM 40 CG GLU A 3 16.446 -17.551 29.246 1.00 1.00 C ATOM 41 CD GLU A 3 15.243 -18.144 29.973 1.00 1.00 C ATOM 42 OE1 GLU A 3 15.453 -18.864 30.936 1.00 1.00 O ATOM 43 OE2 GLU A 3 14.129 -17.871 29.556 1.00 1.00 O ATOM 0 H GLU A 3 20.661 -16.660 29.632 1.00 1.00 H new ATOM 0 HA GLU A 3 18.700 -16.713 28.521 1.00 1.00 H new ATOM 0 HB2 GLU A 3 17.883 -17.881 30.827 1.00 1.00 H new ATOM 0 HB3 GLU A 3 16.994 -16.379 30.979 1.00 1.00 H new ATOM 0 HG2 GLU A 3 16.125 -16.732 28.602 1.00 1.00 H new ATOM 0 HG3 GLU A 3 16.900 -18.304 28.602 1.00 1.00 H new ATOM 50 N GLY A 4 18.264 -14.300 28.205 1.00 1.00 N ATOM 51 CA GLY A 4 17.950 -12.894 27.985 1.00 1.00 C ATOM 52 C GLY A 4 18.757 -12.331 26.820 1.00 1.00 C ATOM 53 O GLY A 4 18.286 -11.459 26.090 1.00 1.00 O ATOM 0 H GLY A 4 18.490 -14.823 27.359 1.00 1.00 H new ATOM 0 HA2 GLY A 4 16.885 -12.783 27.782 1.00 1.00 H new ATOM 0 HA3 GLY A 4 18.163 -12.324 28.889 1.00 1.00 H new ATOM 57 N GLY A 5 19.974 -12.836 26.651 1.00 1.00 N ATOM 58 CA GLY A 5 20.838 -12.376 25.569 1.00 1.00 C ATOM 59 C GLY A 5 20.439 -13.015 24.243 1.00 1.00 C ATOM 60 O GLY A 5 20.813 -14.152 23.955 1.00 1.00 O ATOM 0 H GLY A 5 20.383 -13.558 27.244 1.00 1.00 H new ATOM 0 HA2 GLY A 5 20.778 -11.291 25.487 1.00 1.00 H new ATOM 0 HA3 GLY A 5 21.875 -12.621 25.798 1.00 1.00 H new ATOM 64 N ASP A 6 19.678 -12.277 23.442 1.00 1.00 N ATOM 65 CA ASP A 6 19.234 -12.783 22.149 1.00 1.00 C ATOM 66 C ASP A 6 19.047 -11.636 21.160 1.00 1.00 C ATOM 67 O ASP A 6 18.165 -10.794 21.331 1.00 1.00 O ATOM 68 CB ASP A 6 17.916 -13.541 22.308 1.00 1.00 C ATOM 69 CG ASP A 6 17.950 -14.825 21.486 1.00 1.00 C ATOM 70 OD1 ASP A 6 18.810 -15.650 21.748 1.00 1.00 O ATOM 71 OD2 ASP A 6 17.116 -14.965 20.607 1.00 1.00 O ATOM 0 H ASP A 6 19.358 -11.334 23.663 1.00 1.00 H new ATOM 0 HA ASP A 6 19.997 -13.460 21.764 1.00 1.00 H new ATOM 0 HB2 ASP A 6 17.747 -13.777 23.359 1.00 1.00 H new ATOM 0 HB3 ASP A 6 17.085 -12.914 21.984 1.00 1.00 H new ATOM 76 N PHE A 7 19.882 -11.609 20.127 1.00 1.00 N ATOM 77 CA PHE A 7 19.799 -10.560 19.116 1.00 1.00 C ATOM 78 C PHE A 7 18.919 -11.006 17.953 1.00 1.00 C ATOM 79 O PHE A 7 18.783 -12.200 17.687 1.00 1.00 O ATOM 80 CB PHE A 7 21.198 -10.221 18.600 1.00 1.00 C ATOM 81 CG PHE A 7 22.115 -9.955 19.770 1.00 1.00 C ATOM 82 CD1 PHE A 7 22.031 -8.742 20.464 1.00 1.00 C ATOM 83 CD2 PHE A 7 23.052 -10.920 20.159 1.00 1.00 C ATOM 84 CE1 PHE A 7 22.881 -8.495 21.548 1.00 1.00 C ATOM 85 CE2 PHE A 7 23.901 -10.674 21.244 1.00 1.00 C ATOM 86 CZ PHE A 7 23.816 -9.461 21.938 1.00 1.00 C ATOM 0 H PHE A 7 20.619 -12.296 19.968 1.00 1.00 H new ATOM 0 HA PHE A 7 19.356 -9.675 19.573 1.00 1.00 H new ATOM 0 HB2 PHE A 7 21.586 -11.045 18.000 1.00 1.00 H new ATOM 0 HB3 PHE A 7 21.156 -9.346 17.951 1.00 1.00 H new ATOM 0 HD1 PHE A 7 21.310 -7.997 20.163 1.00 1.00 H new ATOM 0 HD2 PHE A 7 23.120 -11.854 19.622 1.00 1.00 H new ATOM 0 HE1 PHE A 7 22.816 -7.559 22.083 1.00 1.00 H new ATOM 0 HE2 PHE A 7 24.622 -11.420 21.546 1.00 1.00 H new ATOM 0 HZ PHE A 7 24.472 -9.271 22.775 1.00 1.00 H new ATOM 96 N ASP A 8 18.324 -10.038 17.263 1.00 1.00 N ATOM 97 CA ASP A 8 17.459 -10.343 16.129 1.00 1.00 C ATOM 98 C ASP A 8 17.423 -9.172 15.152 1.00 1.00 C ATOM 99 O ASP A 8 16.352 -8.687 14.789 1.00 1.00 O ATOM 100 CB ASP A 8 16.042 -10.645 16.619 1.00 1.00 C ATOM 101 CG ASP A 8 15.200 -11.198 15.474 1.00 1.00 C ATOM 102 OD1 ASP A 8 15.227 -12.400 15.272 1.00 1.00 O ATOM 103 OD2 ASP A 8 14.542 -10.409 14.815 1.00 1.00 O ATOM 0 H ASP A 8 18.424 -9.044 17.467 1.00 1.00 H new ATOM 0 HA ASP A 8 17.860 -11.217 15.616 1.00 1.00 H new ATOM 0 HB2 ASP A 8 16.077 -11.365 17.436 1.00 1.00 H new ATOM 0 HB3 ASP A 8 15.584 -9.738 17.013 1.00 1.00 H new ATOM 108 N ASN A 9 18.601 -8.722 14.731 1.00 1.00 N ATOM 109 CA ASN A 9 18.692 -7.607 13.797 1.00 1.00 C ATOM 110 C ASN A 9 19.768 -7.872 12.748 1.00 1.00 C ATOM 111 O ASN A 9 20.544 -6.982 12.401 1.00 1.00 O ATOM 112 CB ASN A 9 19.020 -6.317 14.551 1.00 1.00 C ATOM 113 CG ASN A 9 18.010 -6.098 15.673 1.00 1.00 C ATOM 114 OD1 ASN A 9 16.818 -6.343 15.492 1.00 1.00 O ATOM 115 ND2 ASN A 9 18.419 -5.648 16.828 1.00 1.00 N ATOM 0 H ASN A 9 19.499 -9.109 15.020 1.00 1.00 H new ATOM 0 HA ASN A 9 17.730 -7.500 13.296 1.00 1.00 H new ATOM 0 HB2 ASN A 9 20.028 -6.373 14.963 1.00 1.00 H new ATOM 0 HB3 ASN A 9 19.003 -5.470 13.865 1.00 1.00 H new ATOM 0 HD21 ASN A 9 17.750 -5.499 17.583 1.00 1.00 H new ATOM 0 HD22 ASN A 9 19.408 -5.446 16.975 1.00 1.00 H new ATOM 122 N TYR A 10 19.808 -9.103 12.247 1.00 1.00 N ATOM 123 CA TYR A 10 20.793 -9.475 11.239 1.00 1.00 C ATOM 124 C TYR A 10 20.773 -8.484 10.079 1.00 1.00 C ATOM 125 O TYR A 10 21.822 -8.083 9.575 1.00 1.00 O ATOM 126 CB TYR A 10 20.500 -10.882 10.716 1.00 1.00 C ATOM 127 CG TYR A 10 20.783 -10.937 9.235 1.00 1.00 C ATOM 128 CD1 TYR A 10 22.073 -11.236 8.779 1.00 1.00 C ATOM 129 CD2 TYR A 10 19.757 -10.690 8.315 1.00 1.00 C ATOM 130 CE1 TYR A 10 22.336 -11.288 7.405 1.00 1.00 C ATOM 131 CE2 TYR A 10 20.020 -10.741 6.941 1.00 1.00 C ATOM 132 CZ TYR A 10 21.310 -11.040 6.486 1.00 1.00 C ATOM 133 OH TYR A 10 21.571 -11.090 5.131 1.00 1.00 O ATOM 0 H TYR A 10 19.175 -9.854 12.520 1.00 1.00 H new ATOM 0 HA TYR A 10 21.781 -9.458 11.700 1.00 1.00 H new ATOM 0 HB2 TYR A 10 21.115 -11.612 11.242 1.00 1.00 H new ATOM 0 HB3 TYR A 10 19.459 -11.144 10.908 1.00 1.00 H new ATOM 0 HD1 TYR A 10 22.865 -11.427 9.488 1.00 1.00 H new ATOM 0 HD2 TYR A 10 18.762 -10.460 8.666 1.00 1.00 H new ATOM 0 HE1 TYR A 10 23.331 -11.520 7.054 1.00 1.00 H new ATOM 0 HE2 TYR A 10 19.228 -10.550 6.232 1.00 1.00 H new ATOM 0 HH TYR A 10 20.750 -10.895 4.632 1.00 1.00 H new ATOM 143 N TYR A 11 19.573 -8.095 9.661 1.00 1.00 N ATOM 144 CA TYR A 11 19.428 -7.151 8.558 1.00 1.00 C ATOM 145 C TYR A 11 20.412 -5.995 8.710 1.00 1.00 C ATOM 146 O TYR A 11 20.754 -5.601 9.825 1.00 1.00 O ATOM 147 CB TYR A 11 17.999 -6.606 8.521 1.00 1.00 C ATOM 148 CG TYR A 11 17.855 -5.500 9.537 1.00 1.00 C ATOM 149 CD1 TYR A 11 18.164 -4.180 9.185 1.00 1.00 C ATOM 150 CD2 TYR A 11 17.411 -5.792 10.833 1.00 1.00 C ATOM 151 CE1 TYR A 11 18.030 -3.154 10.127 1.00 1.00 C ATOM 152 CE2 TYR A 11 17.277 -4.765 11.774 1.00 1.00 C ATOM 153 CZ TYR A 11 17.586 -3.446 11.422 1.00 1.00 C ATOM 154 OH TYR A 11 17.454 -2.434 12.351 1.00 1.00 O ATOM 0 H TYR A 11 18.693 -8.416 10.065 1.00 1.00 H new ATOM 0 HA TYR A 11 19.641 -7.674 7.626 1.00 1.00 H new ATOM 0 HB2 TYR A 11 17.767 -6.231 7.524 1.00 1.00 H new ATOM 0 HB3 TYR A 11 17.288 -7.405 8.734 1.00 1.00 H new ATOM 0 HD1 TYR A 11 18.506 -3.954 8.186 1.00 1.00 H new ATOM 0 HD2 TYR A 11 17.172 -6.809 11.106 1.00 1.00 H new ATOM 0 HE1 TYR A 11 18.269 -2.137 9.855 1.00 1.00 H new ATOM 0 HE2 TYR A 11 16.935 -4.990 12.773 1.00 1.00 H new ATOM 0 HH TYR A 11 17.134 -2.808 13.199 1.00 1.00 H new ATOM 164 N GLY A 12 20.863 -5.456 7.581 1.00 1.00 N ATOM 165 CA GLY A 12 21.807 -4.345 7.601 1.00 1.00 C ATOM 166 C GLY A 12 22.891 -4.533 6.545 1.00 1.00 C ATOM 167 O GLY A 12 23.473 -5.612 6.426 1.00 1.00 O ATOM 0 H GLY A 12 20.592 -5.768 6.648 1.00 1.00 H new ATOM 0 HA2 GLY A 12 21.277 -3.409 7.422 1.00 1.00 H new ATOM 0 HA3 GLY A 12 22.264 -4.269 8.588 1.00 1.00 H new ATOM 171 N ALA A 13 23.157 -3.479 5.782 1.00 1.00 N ATOM 172 CA ALA A 13 24.174 -3.541 4.738 1.00 1.00 C ATOM 173 C ALA A 13 24.769 -2.160 4.487 1.00 1.00 C ATOM 174 O ALA A 13 24.851 -1.708 3.345 1.00 1.00 O ATOM 175 CB ALA A 13 23.561 -4.079 3.444 1.00 1.00 C ATOM 0 H ALA A 13 22.687 -2.578 5.865 1.00 1.00 H new ATOM 0 HA ALA A 13 24.968 -4.210 5.069 1.00 1.00 H new ATOM 0 HB1 ALA A 13 24.327 -4.122 2.669 1.00 1.00 H new ATOM 0 HB2 ALA A 13 23.164 -5.079 3.618 1.00 1.00 H new ATOM 0 HB3 ALA A 13 22.755 -3.420 3.121 1.00 1.00 H new ATOM 181 N ASP A 14 25.184 -1.495 5.560 1.00 1.00 N ATOM 182 CA ASP A 14 25.770 -0.164 5.442 1.00 1.00 C ATOM 183 C ASP A 14 27.220 -0.258 4.976 1.00 1.00 C ATOM 184 O ASP A 14 28.146 0.025 5.736 1.00 1.00 O ATOM 185 CB ASP A 14 25.711 0.553 6.792 1.00 1.00 C ATOM 186 CG ASP A 14 24.373 0.280 7.471 1.00 1.00 C ATOM 187 OD1 ASP A 14 23.361 0.361 6.795 1.00 1.00 O ATOM 188 OD2 ASP A 14 24.381 -0.005 8.657 1.00 1.00 O ATOM 0 H ASP A 14 25.127 -1.852 6.514 1.00 1.00 H new ATOM 0 HA ASP A 14 25.199 0.401 4.705 1.00 1.00 H new ATOM 0 HB2 ASP A 14 26.527 0.213 7.429 1.00 1.00 H new ATOM 0 HB3 ASP A 14 25.843 1.625 6.649 1.00 1.00 H new ATOM 193 N ASN A 15 27.407 -0.658 3.721 1.00 1.00 N ATOM 194 CA ASN A 15 28.746 -0.788 3.158 1.00 1.00 C ATOM 195 C ASN A 15 28.812 -0.115 1.794 1.00 1.00 C ATOM 196 O ASN A 15 29.168 1.058 1.684 1.00 1.00 O ATOM 197 CB ASN A 15 29.102 -2.268 3.012 1.00 1.00 C ATOM 198 CG ASN A 15 29.263 -2.905 4.388 1.00 1.00 C ATOM 199 OD1 ASN A 15 29.517 -2.209 5.370 1.00 1.00 O ATOM 200 ND2 ASN A 15 29.127 -4.197 4.518 1.00 1.00 N ATOM 0 H ASN A 15 26.652 -0.896 3.078 1.00 1.00 H new ATOM 0 HA ASN A 15 29.457 -0.305 3.828 1.00 1.00 H new ATOM 0 HB2 ASN A 15 28.322 -2.784 2.452 1.00 1.00 H new ATOM 0 HB3 ASN A 15 30.026 -2.374 2.443 1.00 1.00 H new ATOM 0 HD21 ASN A 15 29.231 -4.631 5.435 1.00 1.00 H new ATOM 0 HD22 ASN A 15 28.916 -4.772 3.702 1.00 1.00 H new ATOM 207 N GLN A 16 28.457 -0.871 0.761 1.00 1.00 N ATOM 208 CA GLN A 16 28.465 -0.352 -0.603 1.00 1.00 C ATOM 209 C GLN A 16 29.662 0.567 -0.830 1.00 1.00 C ATOM 210 O GLN A 16 29.627 1.447 -1.691 1.00 1.00 O ATOM 211 CB GLN A 16 27.168 0.418 -0.865 1.00 1.00 C ATOM 212 CG GLN A 16 26.505 -0.083 -2.152 1.00 1.00 C ATOM 213 CD GLN A 16 25.121 0.542 -2.285 1.00 1.00 C ATOM 214 OE1 GLN A 16 24.768 1.061 -3.343 1.00 1.00 O ATOM 215 NE2 GLN A 16 24.309 0.519 -1.263 1.00 1.00 N ATOM 0 H GLN A 16 28.160 -1.844 0.841 1.00 1.00 H new ATOM 0 HA GLN A 16 28.542 -1.193 -1.293 1.00 1.00 H new ATOM 0 HB2 GLN A 16 26.486 0.293 -0.024 1.00 1.00 H new ATOM 0 HB3 GLN A 16 27.380 1.484 -0.948 1.00 1.00 H new ATOM 0 HG2 GLN A 16 27.118 0.177 -3.015 1.00 1.00 H new ATOM 0 HG3 GLN A 16 26.425 -1.170 -2.134 1.00 1.00 H new ATOM 0 HE21 GLN A 16 24.604 0.088 -0.387 1.00 1.00 H new ATOM 0 HE22 GLN A 16 23.380 0.932 -1.341 1.00 1.00 H new ATOM 224 N SER A 17 30.720 0.355 -0.056 1.00 1.00 N ATOM 225 CA SER A 17 31.920 1.172 -0.187 1.00 1.00 C ATOM 226 C SER A 17 33.172 0.307 -0.078 1.00 1.00 C ATOM 227 O SER A 17 33.242 -0.598 0.754 1.00 1.00 O ATOM 228 CB SER A 17 31.944 2.246 0.900 1.00 1.00 C ATOM 229 OG SER A 17 32.843 3.280 0.521 1.00 1.00 O ATOM 0 H SER A 17 30.772 -0.368 0.662 1.00 1.00 H new ATOM 0 HA SER A 17 31.905 1.649 -1.167 1.00 1.00 H new ATOM 0 HB2 SER A 17 30.944 2.654 1.046 1.00 1.00 H new ATOM 0 HB3 SER A 17 32.253 1.811 1.850 1.00 1.00 H new ATOM 0 HG SER A 17 33.284 3.639 1.319 1.00 1.00 H new ATOM 235 N GLU A 18 34.158 0.592 -0.922 1.00 1.00 N ATOM 236 CA GLU A 18 35.403 -0.168 -0.912 1.00 1.00 C ATOM 237 C GLU A 18 36.409 0.465 0.044 1.00 1.00 C ATOM 238 O GLU A 18 37.493 0.881 -0.366 1.00 1.00 O ATOM 239 CB GLU A 18 35.996 -0.219 -2.320 1.00 1.00 C ATOM 240 CG GLU A 18 36.948 -1.411 -2.431 1.00 1.00 C ATOM 241 CD GLU A 18 38.107 -1.069 -3.359 1.00 1.00 C ATOM 242 OE1 GLU A 18 38.757 -0.065 -3.118 1.00 1.00 O ATOM 243 OE2 GLU A 18 38.329 -1.816 -4.298 1.00 1.00 O ATOM 0 H GLU A 18 34.120 1.338 -1.617 1.00 1.00 H new ATOM 0 HA GLU A 18 35.185 -1.181 -0.574 1.00 1.00 H new ATOM 0 HB2 GLU A 18 35.199 -0.307 -3.059 1.00 1.00 H new ATOM 0 HB3 GLU A 18 36.529 0.707 -2.535 1.00 1.00 H new ATOM 0 HG2 GLU A 18 37.328 -1.676 -1.444 1.00 1.00 H new ATOM 0 HG3 GLU A 18 36.412 -2.281 -2.811 1.00 1.00 H new ATOM 250 N CYS A 19 36.042 0.535 1.320 1.00 1.00 N ATOM 251 CA CYS A 19 36.922 1.120 2.326 1.00 1.00 C ATOM 252 C CYS A 19 36.721 0.435 3.675 1.00 1.00 C ATOM 253 O CYS A 19 35.592 0.155 4.078 1.00 1.00 O ATOM 254 CB CYS A 19 36.636 2.616 2.464 1.00 1.00 C ATOM 255 SG CYS A 19 34.853 2.905 2.329 1.00 1.00 S ATOM 0 H CYS A 19 35.149 0.197 1.680 1.00 1.00 H new ATOM 0 HA CYS A 19 37.954 0.976 2.007 1.00 1.00 H new ATOM 0 HB2 CYS A 19 37.003 2.980 3.424 1.00 1.00 H new ATOM 0 HB3 CYS A 19 37.165 3.171 1.689 1.00 1.00 H new ATOM 0 HG CYS A 19 34.443 2.542 1.150 1.00 1.00 H new ATOM 261 N GLU A 20 37.824 0.169 4.366 1.00 1.00 N ATOM 262 CA GLU A 20 37.758 -0.484 5.669 1.00 1.00 C ATOM 263 C GLU A 20 36.982 -1.794 5.573 1.00 1.00 C ATOM 264 O GLU A 20 36.679 -2.423 6.586 1.00 1.00 O ATOM 265 CB GLU A 20 37.079 0.440 6.682 1.00 1.00 C ATOM 266 CG GLU A 20 38.114 1.404 7.266 1.00 1.00 C ATOM 267 CD GLU A 20 38.760 2.215 6.147 1.00 1.00 C ATOM 268 OE1 GLU A 20 38.069 3.030 5.558 1.00 1.00 O ATOM 269 OE2 GLU A 20 39.935 2.007 5.895 1.00 1.00 O ATOM 0 H GLU A 20 38.767 0.393 4.049 1.00 1.00 H new ATOM 0 HA GLU A 20 38.774 -0.700 5.998 1.00 1.00 H new ATOM 0 HB2 GLU A 20 36.277 0.999 6.200 1.00 1.00 H new ATOM 0 HB3 GLU A 20 36.624 -0.148 7.479 1.00 1.00 H new ATOM 0 HG2 GLU A 20 37.637 2.073 7.982 1.00 1.00 H new ATOM 0 HG3 GLU A 20 38.877 0.846 7.809 1.00 1.00 H new ATOM 276 N TYR A 21 36.663 -2.198 4.347 1.00 1.00 N ATOM 277 CA TYR A 21 35.921 -3.435 4.131 1.00 1.00 C ATOM 278 C TYR A 21 36.807 -4.646 4.412 1.00 1.00 C ATOM 279 O TYR A 21 36.347 -5.787 4.367 1.00 1.00 O ATOM 280 CB TYR A 21 35.416 -3.495 2.688 1.00 1.00 C ATOM 281 CG TYR A 21 36.349 -4.349 1.863 1.00 1.00 C ATOM 282 CD1 TYR A 21 37.509 -3.790 1.314 1.00 1.00 C ATOM 283 CD2 TYR A 21 36.054 -5.701 1.646 1.00 1.00 C ATOM 284 CE1 TYR A 21 38.373 -4.581 0.548 1.00 1.00 C ATOM 285 CE2 TYR A 21 36.919 -6.492 0.882 1.00 1.00 C ATOM 286 CZ TYR A 21 38.078 -5.933 0.333 1.00 1.00 C ATOM 287 OH TYR A 21 38.931 -6.713 -0.421 1.00 1.00 O ATOM 0 H TYR A 21 36.904 -1.692 3.495 1.00 1.00 H new ATOM 0 HA TYR A 21 35.072 -3.452 4.814 1.00 1.00 H new ATOM 0 HB2 TYR A 21 34.408 -3.909 2.661 1.00 1.00 H new ATOM 0 HB3 TYR A 21 35.360 -2.490 2.269 1.00 1.00 H new ATOM 0 HD1 TYR A 21 37.737 -2.748 1.482 1.00 1.00 H new ATOM 0 HD2 TYR A 21 35.159 -6.133 2.068 1.00 1.00 H new ATOM 0 HE1 TYR A 21 39.267 -4.149 0.123 1.00 1.00 H new ATOM 0 HE2 TYR A 21 36.692 -7.535 0.716 1.00 1.00 H new ATOM 0 HH TYR A 21 38.580 -7.627 -0.472 1.00 1.00 H new ATOM 297 N THR A 22 38.077 -4.389 4.704 1.00 1.00 N ATOM 298 CA THR A 22 39.018 -5.465 4.991 1.00 1.00 C ATOM 299 C THR A 22 39.209 -5.622 6.496 1.00 1.00 C ATOM 300 O THR A 22 39.427 -6.727 6.992 1.00 1.00 O ATOM 301 CB THR A 22 40.366 -5.171 4.330 1.00 1.00 C ATOM 302 OG1 THR A 22 40.254 -5.356 2.926 1.00 1.00 O ATOM 303 CG2 THR A 22 41.428 -6.121 4.887 1.00 1.00 C ATOM 0 H THR A 22 38.477 -3.452 4.748 1.00 1.00 H new ATOM 0 HA THR A 22 38.613 -6.394 4.589 1.00 1.00 H new ATOM 0 HB THR A 22 40.656 -4.141 4.540 1.00 1.00 H new ATOM 0 HG1 THR A 22 39.454 -4.895 2.598 1.00 1.00 H new ATOM 0 HG21 THR A 22 42.388 -5.911 4.415 1.00 1.00 H new ATOM 0 HG22 THR A 22 41.514 -5.979 5.964 1.00 1.00 H new ATOM 0 HG23 THR A 22 41.140 -7.151 4.679 1.00 1.00 H new ATOM 311 N ASP A 23 39.129 -4.508 7.216 1.00 1.00 N ATOM 312 CA ASP A 23 39.296 -4.534 8.665 1.00 1.00 C ATOM 313 C ASP A 23 37.952 -4.748 9.356 1.00 1.00 C ATOM 314 O ASP A 23 37.784 -4.409 10.527 1.00 1.00 O ATOM 315 CB ASP A 23 39.915 -3.220 9.143 1.00 1.00 C ATOM 316 CG ASP A 23 38.817 -2.219 9.484 1.00 1.00 C ATOM 317 OD1 ASP A 23 37.845 -2.161 8.748 1.00 1.00 O ATOM 318 OD2 ASP A 23 38.964 -1.524 10.476 1.00 1.00 O ATOM 0 H ASP A 23 38.951 -3.583 6.824 1.00 1.00 H new ATOM 0 HA ASP A 23 39.958 -5.361 8.921 1.00 1.00 H new ATOM 0 HB2 ASP A 23 40.539 -3.400 10.018 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.563 -2.811 8.368 1.00 1.00 H new ATOM 323 N TRP A 24 36.999 -5.311 8.621 1.00 1.00 N ATOM 324 CA TRP A 24 35.672 -5.566 9.173 1.00 1.00 C ATOM 325 C TRP A 24 35.777 -6.288 10.516 1.00 1.00 C ATOM 326 O TRP A 24 36.040 -5.664 11.545 1.00 1.00 O ATOM 327 CB TRP A 24 34.843 -6.401 8.189 1.00 1.00 C ATOM 328 CG TRP A 24 35.737 -7.330 7.425 1.00 1.00 C ATOM 329 CD1 TRP A 24 36.890 -7.865 7.888 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.564 -7.841 6.071 1.00 1.00 C ATOM 331 NE1 TRP A 24 37.436 -8.670 6.905 1.00 1.00 N ATOM 332 CE2 TRP A 24 36.655 -8.689 5.766 1.00 1.00 C ATOM 333 CE3 TRP A 24 34.575 -7.653 5.089 1.00 1.00 C ATOM 334 CZ2 TRP A 24 36.762 -9.326 4.531 1.00 1.00 C ATOM 335 CZ3 TRP A 24 34.680 -8.294 3.843 1.00 1.00 C ATOM 336 CH2 TRP A 24 35.772 -9.129 3.565 1.00 1.00 C ATOM 0 H TRP A 24 37.118 -5.598 7.649 1.00 1.00 H new ATOM 0 HA TRP A 24 35.175 -4.609 9.333 1.00 1.00 H new ATOM 0 HB2 TRP A 24 34.088 -6.972 8.730 1.00 1.00 H new ATOM 0 HB3 TRP A 24 34.312 -5.745 7.499 1.00 1.00 H new ATOM 0 HD1 TRP A 24 37.315 -7.692 8.866 1.00 1.00 H new ATOM 0 HE1 TRP A 24 38.309 -9.187 7.009 1.00 1.00 H new ATOM 0 HE3 TRP A 24 33.730 -7.012 5.294 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 37.605 -9.968 4.322 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 33.916 -8.143 3.095 1.00 1.00 H new ATOM 0 HH2 TRP A 24 35.848 -9.619 2.606 1.00 1.00 H new ATOM 347 N LYS A 25 35.572 -7.601 10.503 1.00 1.00 N ATOM 348 CA LYS A 25 35.647 -8.388 11.728 1.00 1.00 C ATOM 349 C LYS A 25 37.000 -9.085 11.835 1.00 1.00 C ATOM 350 O LYS A 25 37.077 -10.313 11.851 1.00 1.00 O ATOM 351 CB LYS A 25 34.530 -9.434 11.747 1.00 1.00 C ATOM 352 CG LYS A 25 34.589 -10.268 10.466 1.00 1.00 C ATOM 353 CD LYS A 25 33.279 -10.111 9.692 1.00 1.00 C ATOM 354 CE LYS A 25 33.327 -10.968 8.426 1.00 1.00 C ATOM 355 NZ LYS A 25 32.221 -11.967 8.461 1.00 1.00 N ATOM 0 H LYS A 25 35.354 -8.139 9.664 1.00 1.00 H new ATOM 0 HA LYS A 25 35.529 -7.715 12.577 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.637 -10.079 12.619 1.00 1.00 H new ATOM 0 HB3 LYS A 25 33.560 -8.944 11.830 1.00 1.00 H new ATOM 0 HG2 LYS A 25 35.428 -9.947 9.849 1.00 1.00 H new ATOM 0 HG3 LYS A 25 34.756 -11.317 10.710 1.00 1.00 H new ATOM 0 HD2 LYS A 25 32.438 -10.412 10.316 1.00 1.00 H new ATOM 0 HD3 LYS A 25 33.123 -9.065 9.430 1.00 1.00 H new ATOM 0 HE2 LYS A 25 33.233 -10.336 7.543 1.00 1.00 H new ATOM 0 HE3 LYS A 25 34.289 -11.476 8.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 32.253 -12.550 7.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 32.330 -12.576 9.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 31.308 -11.472 8.510 1.00 1.00 H new ATOM 369 N SER A 26 38.064 -8.290 11.908 1.00 1.00 N ATOM 370 CA SER A 26 39.410 -8.842 12.013 1.00 1.00 C ATOM 371 C SER A 26 40.232 -8.057 13.030 1.00 1.00 C ATOM 372 O SER A 26 41.441 -7.894 12.872 1.00 1.00 O ATOM 373 CB SER A 26 40.102 -8.794 10.651 1.00 1.00 C ATOM 374 OG SER A 26 41.476 -9.119 10.810 1.00 1.00 O ATOM 0 H SER A 26 38.021 -7.271 11.897 1.00 1.00 H new ATOM 0 HA SER A 26 39.333 -9.877 12.345 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.628 -9.495 9.965 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.000 -7.801 10.213 1.00 1.00 H new ATOM 0 HG SER A 26 41.870 -8.545 11.500 1.00 1.00 H new ATOM 380 N SER A 27 39.566 -7.574 14.075 1.00 1.00 N ATOM 381 CA SER A 27 40.246 -6.806 15.112 1.00 1.00 C ATOM 382 C SER A 27 40.485 -5.374 14.650 1.00 1.00 C ATOM 383 O SER A 27 41.198 -4.610 15.301 1.00 1.00 O ATOM 384 CB SER A 27 41.583 -7.463 15.458 1.00 1.00 C ATOM 385 OG SER A 27 41.508 -8.855 15.181 1.00 1.00 O ATOM 0 H SER A 27 38.565 -7.699 14.225 1.00 1.00 H new ATOM 0 HA SER A 27 39.611 -6.788 15.998 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.386 -7.008 14.878 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.819 -7.302 16.510 1.00 1.00 H new ATOM 0 HG SER A 27 41.847 -9.028 14.278 1.00 1.00 H new ATOM 391 N GLY A 28 39.882 -5.014 13.521 1.00 1.00 N ATOM 392 CA GLY A 28 40.036 -3.669 12.979 1.00 1.00 C ATOM 393 C GLY A 28 39.803 -2.619 14.060 1.00 1.00 C ATOM 394 O GLY A 28 40.398 -1.541 14.030 1.00 1.00 O ATOM 0 H GLY A 28 39.287 -5.630 12.967 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.036 -3.552 12.562 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.331 -3.519 12.162 1.00 1.00 H new ATOM 398 N ALA A 29 38.933 -2.941 15.011 1.00 1.00 N ATOM 399 CA ALA A 29 38.626 -2.020 16.099 1.00 1.00 C ATOM 400 C ALA A 29 39.315 -2.462 17.387 1.00 1.00 C ATOM 401 O ALA A 29 38.672 -2.984 18.297 1.00 1.00 O ATOM 402 CB ALA A 29 37.114 -1.961 16.322 1.00 1.00 C ATOM 0 H ALA A 29 38.430 -3.828 15.051 1.00 1.00 H new ATOM 0 HA ALA A 29 38.992 -1.030 15.826 1.00 1.00 H new ATOM 0 HB1 ALA A 29 36.893 -1.271 17.136 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.625 -1.616 15.411 1.00 1.00 H new ATOM 0 HB3 ALA A 29 36.745 -2.954 16.578 1.00 1.00 H new ATOM 408 N LEU A 30 40.626 -2.250 17.453 1.00 1.00 N ATOM 409 CA LEU A 30 41.396 -2.631 18.632 1.00 1.00 C ATOM 410 C LEU A 30 41.766 -1.399 19.453 1.00 1.00 C ATOM 411 O LEU A 30 41.822 -1.454 20.682 1.00 1.00 O ATOM 412 CB LEU A 30 42.669 -3.365 18.209 1.00 1.00 C ATOM 413 CG LEU A 30 43.514 -2.452 17.319 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.696 -1.907 18.122 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.037 -3.251 16.122 1.00 1.00 C ATOM 0 H LEU A 30 41.174 -1.819 16.709 1.00 1.00 H new ATOM 0 HA LEU A 30 40.782 -3.291 19.245 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.240 -3.662 19.089 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.413 -4.278 17.672 1.00 1.00 H new ATOM 0 HG LEU A 30 42.902 -1.622 16.965 1.00 1.00 H new ATOM 0 HD11 LEU A 30 45.298 -1.256 17.487 1.00 1.00 H new ATOM 0 HD12 LEU A 30 44.325 -1.339 18.976 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.308 -2.736 18.476 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.639 -2.602 15.487 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.649 -4.080 16.477 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.196 -3.640 15.549 1.00 1.00 H new ATOM 427 N ILE A 31 42.020 -0.289 18.767 1.00 1.00 N ATOM 428 CA ILE A 31 42.385 0.948 19.445 1.00 1.00 C ATOM 429 C ILE A 31 41.136 1.713 19.892 1.00 1.00 C ATOM 430 O ILE A 31 41.109 2.274 20.986 1.00 1.00 O ATOM 431 CB ILE A 31 43.264 1.812 18.515 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.721 1.767 19.005 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.777 3.272 18.469 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.879 2.557 20.311 1.00 1.00 C ATOM 0 H ILE A 31 41.980 -0.221 17.750 1.00 1.00 H new ATOM 0 HA ILE A 31 42.958 0.706 20.340 1.00 1.00 H new ATOM 0 HB ILE A 31 43.194 1.405 17.506 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.026 0.732 19.161 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.380 2.181 18.242 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.420 3.849 17.805 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.752 3.302 18.099 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.814 3.699 19.471 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.917 2.512 20.640 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.596 3.596 20.144 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.236 2.125 21.078 1.00 1.00 H new ATOM 446 N PRO A 32 40.106 1.751 19.079 1.00 1.00 N ATOM 447 CA PRO A 32 38.844 2.471 19.424 1.00 1.00 C ATOM 448 C PRO A 32 38.203 1.924 20.696 1.00 1.00 C ATOM 449 O PRO A 32 37.872 2.677 21.612 1.00 1.00 O ATOM 450 CB PRO A 32 37.932 2.242 18.212 1.00 1.00 C ATOM 451 CG PRO A 32 38.834 1.816 17.101 1.00 1.00 C ATOM 452 CD PRO A 32 40.024 1.120 17.753 1.00 1.00 C ATOM 0 HA PRO A 32 39.025 3.527 19.624 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.184 1.478 18.424 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.392 3.152 17.951 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.317 1.142 16.418 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.160 2.675 16.515 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.867 0.044 17.829 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.939 1.269 17.180 1.00 1.00 H new ATOM 460 N ALA A 33 38.029 0.607 20.744 1.00 1.00 N ATOM 461 CA ALA A 33 37.424 -0.035 21.906 1.00 1.00 C ATOM 462 C ALA A 33 38.018 0.518 23.198 1.00 1.00 C ATOM 463 O ALA A 33 37.341 0.580 24.224 1.00 1.00 O ATOM 464 CB ALA A 33 37.650 -1.546 21.844 1.00 1.00 C ATOM 0 H ALA A 33 38.297 -0.033 19.997 1.00 1.00 H new ATOM 0 HA ALA A 33 36.354 0.174 21.895 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.195 -2.018 22.715 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.196 -1.945 20.937 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.720 -1.754 21.836 1.00 1.00 H new ATOM 470 N ILE A 34 39.283 0.918 23.141 1.00 1.00 N ATOM 471 CA ILE A 34 39.950 1.465 24.318 1.00 1.00 C ATOM 472 C ILE A 34 39.562 2.924 24.510 1.00 1.00 C ATOM 473 O ILE A 34 39.502 3.420 25.635 1.00 1.00 O ATOM 474 CB ILE A 34 41.468 1.350 24.162 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.914 -0.058 24.565 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.157 2.378 25.063 1.00 1.00 C ATOM 477 CD1 ILE A 34 41.096 -1.094 23.793 1.00 1.00 C ATOM 0 H ILE A 34 39.863 0.875 22.303 1.00 1.00 H new ATOM 0 HA ILE A 34 39.637 0.896 25.193 1.00 1.00 H new ATOM 0 HB ILE A 34 41.741 1.538 23.124 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.976 -0.188 24.356 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.781 -0.200 25.637 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.238 2.294 24.950 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.839 3.381 24.779 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.885 2.191 26.102 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.414 -2.096 24.080 1.00 1.00 H new ATOM 0 HD12 ILE A 34 40.038 -0.969 24.025 1.00 1.00 H new ATOM 0 HD13 ILE A 34 41.252 -0.957 22.723 1.00 1.00 H new ATOM 489 N TYR A 35 39.295 3.606 23.402 1.00 1.00 N ATOM 490 CA TYR A 35 38.907 5.008 23.456 1.00 1.00 C ATOM 491 C TYR A 35 37.488 5.143 23.992 1.00 1.00 C ATOM 492 O TYR A 35 37.267 5.743 25.045 1.00 1.00 O ATOM 493 CB TYR A 35 38.993 5.627 22.061 1.00 1.00 C ATOM 494 CG TYR A 35 39.845 6.872 22.113 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.341 8.043 22.691 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.142 6.855 21.584 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.131 9.197 22.740 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.933 8.009 21.635 1.00 1.00 C ATOM 499 CZ TYR A 35 41.428 9.180 22.212 1.00 1.00 C ATOM 500 OH TYR A 35 42.208 10.318 22.261 1.00 1.00 O ATOM 0 H TYR A 35 39.340 3.213 22.462 1.00 1.00 H new ATOM 0 HA TYR A 35 39.589 5.533 24.125 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.420 4.910 21.360 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.995 5.872 21.698 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.341 8.056 23.100 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.531 5.952 21.137 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.741 10.100 23.185 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.934 7.996 21.229 1.00 1.00 H new ATOM 0 HH TYR A 35 43.080 10.135 21.853 1.00 1.00 H new ATOM 510 N MET A 36 36.530 4.573 23.270 1.00 1.00 N ATOM 511 CA MET A 36 35.140 4.631 23.697 1.00 1.00 C ATOM 512 C MET A 36 35.040 4.323 25.186 1.00 1.00 C ATOM 513 O MET A 36 34.180 4.855 25.887 1.00 1.00 O ATOM 514 CB MET A 36 34.305 3.622 22.904 1.00 1.00 C ATOM 515 CG MET A 36 35.097 2.330 22.721 1.00 1.00 C ATOM 516 SD MET A 36 33.981 0.911 22.879 1.00 1.00 S ATOM 517 CE MET A 36 33.592 1.106 24.638 1.00 1.00 C ATOM 0 H MET A 36 36.689 4.071 22.396 1.00 1.00 H new ATOM 0 HA MET A 36 34.757 5.635 23.512 1.00 1.00 H new ATOM 0 HB2 MET A 36 33.371 3.417 23.428 1.00 1.00 H new ATOM 0 HB3 MET A 36 34.040 4.038 21.932 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.578 2.321 21.743 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.890 2.268 23.467 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.455 0.124 25.091 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.411 1.625 25.136 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.676 1.686 24.746 1.00 1.00 H new ATOM 527 N LEU A 37 35.933 3.458 25.661 1.00 1.00 N ATOM 528 CA LEU A 37 35.949 3.079 27.069 1.00 1.00 C ATOM 529 C LEU A 37 36.011 4.321 27.953 1.00 1.00 C ATOM 530 O LEU A 37 35.160 4.522 28.818 1.00 1.00 O ATOM 531 CB LEU A 37 37.164 2.187 27.354 1.00 1.00 C ATOM 532 CG LEU A 37 36.735 0.925 28.113 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.985 1.316 29.388 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.825 0.067 27.227 1.00 1.00 C ATOM 0 H LEU A 37 36.652 3.009 25.093 1.00 1.00 H new ATOM 0 HA LEU A 37 35.034 2.531 27.292 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.647 1.909 26.417 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.899 2.739 27.940 1.00 1.00 H new ATOM 0 HG LEU A 37 37.624 0.352 28.378 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.683 0.416 29.923 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.637 1.915 30.024 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.100 1.897 29.126 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.524 -0.827 27.773 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.939 0.640 26.953 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.364 -0.222 26.325 1.00 1.00 H new ATOM 546 N VAL A 38 37.024 5.148 27.727 1.00 1.00 N ATOM 547 CA VAL A 38 37.190 6.368 28.509 1.00 1.00 C ATOM 548 C VAL A 38 36.248 7.458 28.010 1.00 1.00 C ATOM 549 O VAL A 38 36.399 8.628 28.361 1.00 1.00 O ATOM 550 CB VAL A 38 38.637 6.855 28.411 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.988 7.675 29.654 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.574 5.648 28.318 1.00 1.00 C ATOM 0 H VAL A 38 37.738 4.999 27.014 1.00 1.00 H new ATOM 0 HA VAL A 38 36.950 6.147 29.549 1.00 1.00 H new ATOM 0 HB VAL A 38 38.751 7.477 27.523 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.019 8.021 29.582 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.321 8.534 29.723 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.874 7.055 30.543 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.606 5.993 28.248 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.458 5.028 29.207 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.326 5.063 27.433 1.00 1.00 H new ATOM 562 N PHE A 39 35.277 7.065 27.190 1.00 1.00 N ATOM 563 CA PHE A 39 34.313 8.016 26.645 1.00 1.00 C ATOM 564 C PHE A 39 32.944 7.827 27.291 1.00 1.00 C ATOM 565 O PHE A 39 32.297 8.797 27.688 1.00 1.00 O ATOM 566 CB PHE A 39 34.195 7.828 25.132 1.00 1.00 C ATOM 567 CG PHE A 39 33.689 9.104 24.503 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.593 10.104 24.125 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.317 9.287 24.297 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.124 11.288 23.542 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.848 10.470 23.713 1.00 1.00 C ATOM 572 CZ PHE A 39 32.752 11.470 23.336 1.00 1.00 C ATOM 0 H PHE A 39 35.137 6.100 26.890 1.00 1.00 H new ATOM 0 HA PHE A 39 34.666 9.024 26.861 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.165 7.563 24.711 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.515 7.006 24.909 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.652 9.962 24.283 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.620 8.516 24.589 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.821 12.060 23.252 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.789 10.611 23.553 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.390 12.383 22.886 1.00 1.00 H new ATOM 582 N LEU A 40 32.506 6.576 27.394 1.00 1.00 N ATOM 583 CA LEU A 40 31.209 6.281 27.994 1.00 1.00 C ATOM 584 C LEU A 40 31.226 6.580 29.489 1.00 1.00 C ATOM 585 O LEU A 40 30.240 7.060 30.047 1.00 1.00 O ATOM 586 CB LEU A 40 30.840 4.811 27.765 1.00 1.00 C ATOM 587 CG LEU A 40 31.920 3.903 28.360 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.435 3.333 29.695 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.203 2.752 27.392 1.00 1.00 C ATOM 0 H LEU A 40 33.024 5.758 27.073 1.00 1.00 H new ATOM 0 HA LEU A 40 30.462 6.916 27.518 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.876 4.593 28.225 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.736 4.615 26.698 1.00 1.00 H new ATOM 0 HG LEU A 40 32.830 4.481 28.522 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.205 2.687 30.116 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.229 4.150 30.386 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.525 2.755 29.535 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.972 2.104 27.813 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.290 2.177 27.233 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.549 3.154 26.440 1.00 1.00 H new ATOM 601 N LEU A 41 32.353 6.295 30.135 1.00 1.00 N ATOM 602 CA LEU A 41 32.481 6.539 31.567 1.00 1.00 C ATOM 603 C LEU A 41 32.758 8.017 31.834 1.00 1.00 C ATOM 604 O LEU A 41 32.457 8.529 32.911 1.00 1.00 O ATOM 605 CB LEU A 41 33.607 5.670 32.148 1.00 1.00 C ATOM 606 CG LEU A 41 34.968 6.367 31.973 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.259 7.319 33.145 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.066 5.302 31.917 1.00 1.00 C ATOM 0 H LEU A 41 33.183 5.899 29.694 1.00 1.00 H new ATOM 0 HA LEU A 41 31.543 6.272 32.054 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.421 5.482 33.205 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.621 4.701 31.650 1.00 1.00 H new ATOM 0 HG LEU A 41 34.944 6.948 31.051 1.00 1.00 H new ATOM 0 HD11 LEU A 41 36.227 7.797 32.994 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.482 8.082 33.196 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.275 6.754 34.077 1.00 1.00 H new ATOM 0 HD21 LEU A 41 37.035 5.785 31.793 1.00 1.00 H new ATOM 0 HD22 LEU A 41 36.063 4.727 32.843 1.00 1.00 H new ATOM 0 HD23 LEU A 41 35.883 4.635 31.075 1.00 1.00 H new ATOM 620 N GLY A 42 33.333 8.693 30.844 1.00 1.00 N ATOM 621 CA GLY A 42 33.646 10.111 30.984 1.00 1.00 C ATOM 622 C GLY A 42 32.397 10.965 30.798 1.00 1.00 C ATOM 623 O GLY A 42 32.290 12.056 31.358 1.00 1.00 O ATOM 0 H GLY A 42 33.590 8.287 29.944 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.075 10.297 31.968 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.399 10.396 30.249 1.00 1.00 H new ATOM 627 N THR A 43 31.453 10.461 30.009 1.00 1.00 N ATOM 628 CA THR A 43 30.215 11.187 29.755 1.00 1.00 C ATOM 629 C THR A 43 29.228 10.312 28.989 1.00 1.00 C ATOM 630 O THR A 43 29.014 9.150 29.335 1.00 1.00 O ATOM 631 CB THR A 43 30.508 12.454 28.950 1.00 1.00 C ATOM 632 OG1 THR A 43 29.295 13.158 28.718 1.00 1.00 O ATOM 633 CG2 THR A 43 31.145 12.076 27.613 1.00 1.00 C ATOM 0 H THR A 43 31.521 9.559 29.538 1.00 1.00 H new ATOM 0 HA THR A 43 29.773 11.460 30.713 1.00 1.00 H new ATOM 0 HB THR A 43 31.195 13.089 29.510 1.00 1.00 H new ATOM 0 HG1 THR A 43 29.482 13.971 28.204 1.00 1.00 H new ATOM 0 HG21 THR A 43 31.353 12.980 27.041 1.00 1.00 H new ATOM 0 HG22 THR A 43 32.076 11.538 27.793 1.00 1.00 H new ATOM 0 HG23 THR A 43 30.461 11.440 27.051 1.00 1.00 H new ATOM 641 N THR A 44 28.629 10.879 27.946 1.00 1.00 N ATOM 642 CA THR A 44 27.666 10.142 27.136 1.00 1.00 C ATOM 643 C THR A 44 26.369 9.926 27.908 1.00 1.00 C ATOM 644 O THR A 44 25.277 10.042 27.352 1.00 1.00 O ATOM 645 CB THR A 44 28.253 8.787 26.729 1.00 1.00 C ATOM 646 OG1 THR A 44 29.660 8.910 26.578 1.00 1.00 O ATOM 647 CG2 THR A 44 27.632 8.338 25.405 1.00 1.00 C ATOM 0 H THR A 44 28.792 11.839 27.644 1.00 1.00 H new ATOM 0 HA THR A 44 27.449 10.727 26.242 1.00 1.00 H new ATOM 0 HB THR A 44 28.033 8.048 27.499 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.881 8.995 25.627 1.00 1.00 H new ATOM 0 HG21 THR A 44 28.050 7.374 25.116 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.552 8.245 25.523 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.851 9.075 24.632 1.00 1.00 H new ATOM 655 N GLY A 45 26.497 9.612 29.193 1.00 1.00 N ATOM 656 CA GLY A 45 25.327 9.382 30.034 1.00 1.00 C ATOM 657 C GLY A 45 25.587 9.840 31.465 1.00 1.00 C ATOM 658 O GLY A 45 24.939 9.374 32.403 1.00 1.00 O ATOM 0 H GLY A 45 27.392 9.511 29.672 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.470 9.918 29.626 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.072 8.322 30.028 1.00 1.00 H new ATOM 662 N ASN A 46 26.539 10.752 31.624 1.00 1.00 N ATOM 663 CA ASN A 46 26.878 11.266 32.946 1.00 1.00 C ATOM 664 C ASN A 46 27.167 12.762 32.882 1.00 1.00 C ATOM 665 O ASN A 46 28.313 13.175 32.705 1.00 1.00 O ATOM 666 CB ASN A 46 28.102 10.531 33.494 1.00 1.00 C ATOM 667 CG ASN A 46 27.897 9.024 33.383 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.317 8.407 34.277 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.342 8.390 32.333 1.00 1.00 N ATOM 0 H ASN A 46 27.086 11.149 30.860 1.00 1.00 H new ATOM 0 HA ASN A 46 26.028 11.100 33.608 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.993 10.827 32.940 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.267 10.808 34.535 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.210 7.382 32.252 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.822 8.903 31.593 1.00 1.00 H new ATOM 676 N GLY A 47 26.121 13.569 33.028 1.00 1.00 N ATOM 677 CA GLY A 47 26.275 15.019 32.984 1.00 1.00 C ATOM 678 C GLY A 47 24.947 15.698 32.672 1.00 1.00 C ATOM 679 O GLY A 47 24.555 16.654 33.340 1.00 1.00 O ATOM 0 H GLY A 47 25.165 13.247 33.177 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.655 15.377 33.941 1.00 1.00 H new ATOM 0 HA3 GLY A 47 27.012 15.288 32.227 1.00 1.00 H new ATOM 683 N LEU A 48 24.258 15.199 31.650 1.00 1.00 N ATOM 684 CA LEU A 48 22.974 15.768 31.257 1.00 1.00 C ATOM 685 C LEU A 48 21.826 14.917 31.793 1.00 1.00 C ATOM 686 O LEU A 48 20.763 15.436 32.134 1.00 1.00 O ATOM 687 CB LEU A 48 22.883 15.848 29.732 1.00 1.00 C ATOM 688 CG LEU A 48 21.758 16.806 29.337 1.00 1.00 C ATOM 689 CD1 LEU A 48 22.340 18.199 29.084 1.00 1.00 C ATOM 690 CD2 LEU A 48 21.081 16.299 28.063 1.00 1.00 C ATOM 0 H LEU A 48 24.564 14.408 31.083 1.00 1.00 H new ATOM 0 HA LEU A 48 22.897 16.770 31.678 1.00 1.00 H new ATOM 0 HB2 LEU A 48 23.831 16.193 29.318 1.00 1.00 H new ATOM 0 HB3 LEU A 48 22.695 14.858 29.316 1.00 1.00 H new ATOM 0 HG LEU A 48 21.026 16.858 30.143 1.00 1.00 H new ATOM 0 HD11 LEU A 48 21.539 18.882 28.802 1.00 1.00 H new ATOM 0 HD12 LEU A 48 22.824 18.561 29.991 1.00 1.00 H new ATOM 0 HD13 LEU A 48 23.072 18.147 28.278 1.00 1.00 H new ATOM 0 HD21 LEU A 48 20.279 16.981 27.781 1.00 1.00 H new ATOM 0 HD22 LEU A 48 21.814 16.247 27.258 1.00 1.00 H new ATOM 0 HD23 LEU A 48 20.667 15.307 28.241 1.00 1.00 H new ATOM 702 N VAL A 49 22.048 13.609 31.865 1.00 1.00 N ATOM 703 CA VAL A 49 21.025 12.696 32.360 1.00 1.00 C ATOM 704 C VAL A 49 20.585 13.096 33.766 1.00 1.00 C ATOM 705 O VAL A 49 19.551 12.642 34.256 1.00 1.00 O ATOM 706 CB VAL A 49 21.566 11.265 32.382 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.466 10.310 32.846 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.021 10.873 30.974 1.00 1.00 C ATOM 0 H VAL A 49 22.921 13.160 31.589 1.00 1.00 H new ATOM 0 HA VAL A 49 20.165 12.749 31.692 1.00 1.00 H new ATOM 0 HB VAL A 49 22.411 11.206 33.069 1.00 1.00 H new ATOM 0 HG11 VAL A 49 20.852 9.291 32.862 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.140 10.590 33.848 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.621 10.368 32.160 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.407 9.854 30.987 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.175 10.932 30.289 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.805 11.554 30.642 1.00 1.00 H new ATOM 718 N LEU A 50 21.377 13.949 34.408 1.00 1.00 N ATOM 719 CA LEU A 50 21.059 14.403 35.756 1.00 1.00 C ATOM 720 C LEU A 50 20.261 15.703 35.709 1.00 1.00 C ATOM 721 O LEU A 50 19.533 16.030 36.647 1.00 1.00 O ATOM 722 CB LEU A 50 22.348 14.623 36.551 1.00 1.00 C ATOM 723 CG LEU A 50 23.359 13.532 36.195 1.00 1.00 C ATOM 724 CD1 LEU A 50 24.582 13.652 37.105 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.714 12.158 36.388 1.00 1.00 C ATOM 0 H LEU A 50 22.237 14.337 34.020 1.00 1.00 H new ATOM 0 HA LEU A 50 20.457 13.637 36.244 1.00 1.00 H new ATOM 0 HB2 LEU A 50 22.763 15.606 36.327 1.00 1.00 H new ATOM 0 HB3 LEU A 50 22.136 14.603 37.620 1.00 1.00 H new ATOM 0 HG LEU A 50 23.667 13.648 35.156 1.00 1.00 H new ATOM 0 HD11 LEU A 50 25.302 12.874 36.851 1.00 1.00 H new ATOM 0 HD12 LEU A 50 25.042 14.631 36.969 1.00 1.00 H new ATOM 0 HD13 LEU A 50 24.275 13.537 38.144 1.00 1.00 H new ATOM 0 HD21 LEU A 50 23.434 11.379 36.135 1.00 1.00 H new ATOM 0 HD22 LEU A 50 22.406 12.043 37.427 1.00 1.00 H new ATOM 0 HD23 LEU A 50 21.842 12.071 35.740 1.00 1.00 H new ATOM 737 N TRP A 51 20.402 16.439 34.612 1.00 1.00 N ATOM 738 CA TRP A 51 19.689 17.702 34.453 1.00 1.00 C ATOM 739 C TRP A 51 18.197 17.454 34.253 1.00 1.00 C ATOM 740 O TRP A 51 17.365 18.268 34.650 1.00 1.00 O ATOM 741 CB TRP A 51 20.247 18.470 33.254 1.00 1.00 C ATOM 742 CG TRP A 51 19.149 18.723 32.271 1.00 1.00 C ATOM 743 CD1 TRP A 51 18.638 17.802 31.422 1.00 1.00 C ATOM 744 CD2 TRP A 51 18.419 19.959 32.021 1.00 1.00 C ATOM 745 NE1 TRP A 51 17.642 18.393 30.666 1.00 1.00 N ATOM 746 CE2 TRP A 51 17.470 19.723 30.999 1.00 1.00 C ATOM 747 CE3 TRP A 51 18.489 21.250 32.577 1.00 1.00 C ATOM 748 CZ2 TRP A 51 16.619 20.731 30.544 1.00 1.00 C ATOM 749 CZ3 TRP A 51 17.634 22.267 32.120 1.00 1.00 C ATOM 750 CH2 TRP A 51 16.701 22.008 31.106 1.00 1.00 C ATOM 0 H TRP A 51 20.999 16.186 33.825 1.00 1.00 H new ATOM 0 HA TRP A 51 19.829 18.293 35.358 1.00 1.00 H new ATOM 0 HB2 TRP A 51 20.680 19.415 33.583 1.00 1.00 H new ATOM 0 HB3 TRP A 51 21.047 17.899 32.783 1.00 1.00 H new ATOM 0 HD1 TRP A 51 18.956 16.773 31.347 1.00 1.00 H new ATOM 0 HE1 TRP A 51 17.101 17.907 29.951 1.00 1.00 H new ATOM 0 HE3 TRP A 51 19.204 21.460 33.359 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.902 20.526 29.763 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 17.696 23.255 32.553 1.00 1.00 H new ATOM 0 HH2 TRP A 51 16.047 22.794 30.760 1.00 1.00 H new ATOM 761 N THR A 52 17.869 16.324 33.637 1.00 1.00 N ATOM 762 CA THR A 52 16.473 15.978 33.389 1.00 1.00 C ATOM 763 C THR A 52 15.842 15.371 34.637 1.00 1.00 C ATOM 764 O THR A 52 14.640 15.506 34.865 1.00 1.00 O ATOM 765 CB THR A 52 16.379 14.983 32.231 1.00 1.00 C ATOM 766 OG1 THR A 52 15.062 15.003 31.698 1.00 1.00 O ATOM 767 CG2 THR A 52 16.707 13.577 32.734 1.00 1.00 C ATOM 0 H THR A 52 18.544 15.636 33.302 1.00 1.00 H new ATOM 0 HA THR A 52 15.933 16.889 33.129 1.00 1.00 H new ATOM 0 HB THR A 52 17.091 15.262 31.454 1.00 1.00 H new ATOM 0 HG1 THR A 52 15.000 14.367 30.955 1.00 1.00 H new ATOM 0 HG21 THR A 52 16.639 12.870 31.907 1.00 1.00 H new ATOM 0 HG22 THR A 52 17.718 13.563 33.142 1.00 1.00 H new ATOM 0 HG23 THR A 52 15.998 13.294 33.512 1.00 1.00 H new ATOM 775 N VAL A 53 16.660 14.701 35.442 1.00 1.00 N ATOM 776 CA VAL A 53 16.171 14.076 36.665 1.00 1.00 C ATOM 777 C VAL A 53 15.661 15.133 37.641 1.00 1.00 C ATOM 778 O VAL A 53 14.470 15.188 37.944 1.00 1.00 O ATOM 779 CB VAL A 53 17.290 13.268 37.324 1.00 1.00 C ATOM 780 CG1 VAL A 53 16.817 12.754 38.684 1.00 1.00 C ATOM 781 CG2 VAL A 53 17.655 12.081 36.430 1.00 1.00 C ATOM 0 H VAL A 53 17.658 14.577 35.271 1.00 1.00 H new ATOM 0 HA VAL A 53 15.348 13.410 36.405 1.00 1.00 H new ATOM 0 HB VAL A 53 18.165 13.904 37.461 1.00 1.00 H new ATOM 0 HG11 VAL A 53 17.615 12.178 39.153 1.00 1.00 H new ATOM 0 HG12 VAL A 53 16.556 13.599 39.322 1.00 1.00 H new ATOM 0 HG13 VAL A 53 15.942 12.118 38.548 1.00 1.00 H new ATOM 0 HG21 VAL A 53 18.452 11.504 36.899 1.00 1.00 H new ATOM 0 HG22 VAL A 53 16.780 11.446 36.293 1.00 1.00 H new ATOM 0 HG23 VAL A 53 17.993 12.446 35.460 1.00 1.00 H new ATOM 791 N PHE A 54 16.573 15.969 38.128 1.00 1.00 N ATOM 792 CA PHE A 54 16.204 17.020 39.068 1.00 1.00 C ATOM 793 C PHE A 54 15.098 17.895 38.488 1.00 1.00 C ATOM 794 O PHE A 54 14.443 18.646 39.212 1.00 1.00 O ATOM 795 CB PHE A 54 17.425 17.884 39.390 1.00 1.00 C ATOM 796 CG PHE A 54 17.217 19.276 38.841 1.00 1.00 C ATOM 797 CD1 PHE A 54 16.551 20.237 39.609 1.00 1.00 C ATOM 798 CD2 PHE A 54 17.690 19.602 37.565 1.00 1.00 C ATOM 799 CE1 PHE A 54 16.358 21.528 39.100 1.00 1.00 C ATOM 800 CE2 PHE A 54 17.498 20.892 37.056 1.00 1.00 C ATOM 801 CZ PHE A 54 16.831 21.854 37.823 1.00 1.00 C ATOM 0 H PHE A 54 17.564 15.940 37.889 1.00 1.00 H new ATOM 0 HA PHE A 54 15.838 16.552 39.982 1.00 1.00 H new ATOM 0 HB2 PHE A 54 17.580 17.926 40.468 1.00 1.00 H new ATOM 0 HB3 PHE A 54 18.322 17.441 38.957 1.00 1.00 H new ATOM 0 HD1 PHE A 54 16.186 19.984 40.593 1.00 1.00 H new ATOM 0 HD2 PHE A 54 18.203 18.859 36.973 1.00 1.00 H new ATOM 0 HE1 PHE A 54 15.845 22.271 39.692 1.00 1.00 H new ATOM 0 HE2 PHE A 54 17.864 21.145 36.072 1.00 1.00 H new ATOM 0 HZ PHE A 54 16.681 22.849 37.430 1.00 1.00 H new ATOM 811 N ARG A 55 14.895 17.793 37.179 1.00 1.00 N ATOM 812 CA ARG A 55 13.864 18.581 36.512 1.00 1.00 C ATOM 813 C ARG A 55 12.519 17.866 36.576 1.00 1.00 C ATOM 814 O ARG A 55 11.527 18.430 37.039 1.00 1.00 O ATOM 815 CB ARG A 55 14.251 18.815 35.050 1.00 1.00 C ATOM 816 CG ARG A 55 13.179 19.669 34.370 1.00 1.00 C ATOM 817 CD ARG A 55 13.840 20.858 33.672 1.00 1.00 C ATOM 818 NE ARG A 55 14.390 21.780 34.658 1.00 1.00 N ATOM 819 CZ ARG A 55 15.005 22.899 34.286 1.00 1.00 C ATOM 820 NH1 ARG A 55 15.124 23.187 33.019 1.00 1.00 N ATOM 821 NH2 ARG A 55 15.489 23.708 35.188 1.00 1.00 N ATOM 0 H ARG A 55 15.426 17.178 36.562 1.00 1.00 H new ATOM 0 HA ARG A 55 13.777 19.540 37.023 1.00 1.00 H new ATOM 0 HB2 ARG A 55 15.218 19.314 34.994 1.00 1.00 H new ATOM 0 HB3 ARG A 55 14.354 17.861 34.533 1.00 1.00 H new ATOM 0 HG2 ARG A 55 12.627 19.070 33.646 1.00 1.00 H new ATOM 0 HG3 ARG A 55 12.458 20.022 35.108 1.00 1.00 H new ATOM 0 HD2 ARG A 55 14.632 20.506 33.011 1.00 1.00 H new ATOM 0 HD3 ARG A 55 13.110 21.374 33.048 1.00 1.00 H new ATOM 0 HE ARG A 55 14.302 21.563 35.651 1.00 1.00 H new ATOM 0 HH11 ARG A 55 14.745 22.554 32.314 1.00 1.00 H new ATOM 0 HH12 ARG A 55 15.596 24.045 32.733 1.00 1.00 H new ATOM 0 HH21 ARG A 55 15.396 23.482 36.178 1.00 1.00 H new ATOM 0 HH22 ARG A 55 15.961 24.566 34.903 1.00 1.00 H new ATOM 835 N LYS A 56 12.491 16.622 36.109 1.00 1.00 N ATOM 836 CA LYS A 56 11.261 15.840 36.118 1.00 1.00 C ATOM 837 C LYS A 56 10.513 16.034 37.433 1.00 1.00 C ATOM 838 O LYS A 56 9.294 16.200 37.445 1.00 1.00 O ATOM 839 CB LYS A 56 11.583 14.357 35.926 1.00 1.00 C ATOM 840 CG LYS A 56 12.039 14.116 34.485 1.00 1.00 C ATOM 841 CD LYS A 56 10.840 13.693 33.634 1.00 1.00 C ATOM 842 CE LYS A 56 11.286 13.499 32.184 1.00 1.00 C ATOM 843 NZ LYS A 56 10.548 14.450 31.306 1.00 1.00 N ATOM 0 H LYS A 56 13.300 16.137 35.722 1.00 1.00 H new ATOM 0 HA LYS A 56 10.629 16.183 35.299 1.00 1.00 H new ATOM 0 HB2 LYS A 56 12.364 14.050 36.622 1.00 1.00 H new ATOM 0 HB3 LYS A 56 10.704 13.752 36.147 1.00 1.00 H new ATOM 0 HG2 LYS A 56 12.486 15.023 34.077 1.00 1.00 H new ATOM 0 HG3 LYS A 56 12.807 13.343 34.460 1.00 1.00 H new ATOM 0 HD2 LYS A 56 10.414 12.767 34.021 1.00 1.00 H new ATOM 0 HD3 LYS A 56 10.058 14.450 33.687 1.00 1.00 H new ATOM 0 HE2 LYS A 56 12.360 13.666 32.097 1.00 1.00 H new ATOM 0 HE3 LYS A 56 11.096 12.473 31.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 10.851 14.318 30.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 9.526 14.271 31.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 10.751 15.426 31.603 1.00 1.00 H new ATOM 857 N LYS A 57 11.251 16.012 38.538 1.00 1.00 N ATOM 858 CA LYS A 57 10.647 16.186 39.853 1.00 1.00 C ATOM 859 C LYS A 57 10.425 17.666 40.149 1.00 1.00 C ATOM 860 O LYS A 57 10.670 18.129 41.263 1.00 1.00 O ATOM 861 CB LYS A 57 11.550 15.577 40.928 1.00 1.00 C ATOM 862 CG LYS A 57 11.721 14.080 40.664 1.00 1.00 C ATOM 863 CD LYS A 57 13.182 13.686 40.888 1.00 1.00 C ATOM 864 CE LYS A 57 13.292 12.163 40.980 1.00 1.00 C ATOM 865 NZ LYS A 57 13.032 11.729 42.382 1.00 1.00 N ATOM 0 H LYS A 57 12.262 15.876 38.549 1.00 1.00 H new ATOM 0 HA LYS A 57 9.683 15.678 39.859 1.00 1.00 H new ATOM 0 HB2 LYS A 57 12.522 16.071 40.924 1.00 1.00 H new ATOM 0 HB3 LYS A 57 11.116 15.736 41.915 1.00 1.00 H new ATOM 0 HG2 LYS A 57 11.073 13.507 41.327 1.00 1.00 H new ATOM 0 HG3 LYS A 57 11.422 13.843 39.643 1.00 1.00 H new ATOM 0 HD2 LYS A 57 13.799 14.057 40.070 1.00 1.00 H new ATOM 0 HD3 LYS A 57 13.557 14.144 41.803 1.00 1.00 H new ATOM 0 HE2 LYS A 57 12.576 11.695 40.305 1.00 1.00 H new ATOM 0 HE3 LYS A 57 14.285 11.840 40.666 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 13.107 10.694 42.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 13.731 12.166 43.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 12.076 12.025 42.665 1.00 1.00 H new ATOM 879 N GLY A 58 9.962 18.402 39.145 1.00 1.00 N ATOM 880 CA GLY A 58 9.711 19.830 39.309 1.00 1.00 C ATOM 881 C GLY A 58 8.235 20.095 39.581 1.00 1.00 C ATOM 882 O GLY A 58 7.702 21.138 39.201 1.00 1.00 O ATOM 0 H GLY A 58 9.754 18.038 38.215 1.00 1.00 H new ATOM 0 HA2 GLY A 58 10.312 20.217 40.132 1.00 1.00 H new ATOM 0 HA3 GLY A 58 10.021 20.363 38.410 1.00 1.00 H new ATOM 886 N HIS A 59 7.580 19.147 40.241 1.00 1.00 N ATOM 887 CA HIS A 59 6.164 19.290 40.560 1.00 1.00 C ATOM 888 C HIS A 59 5.985 19.967 41.914 1.00 1.00 C ATOM 889 O HIS A 59 5.270 20.962 42.032 1.00 1.00 O ATOM 890 CB HIS A 59 5.492 17.916 40.580 1.00 1.00 C ATOM 891 CG HIS A 59 5.972 17.104 39.409 1.00 1.00 C ATOM 892 ND1 HIS A 59 6.048 15.721 39.449 1.00 1.00 N ATOM 893 CD2 HIS A 59 6.404 17.467 38.157 1.00 1.00 C ATOM 894 CE1 HIS A 59 6.510 15.305 38.254 1.00 1.00 C ATOM 895 NE2 HIS A 59 6.744 16.330 37.430 1.00 1.00 N ATOM 0 H HIS A 59 8.003 18.277 40.564 1.00 1.00 H new ATOM 0 HA HIS A 59 5.699 19.910 39.794 1.00 1.00 H new ATOM 0 HB2 HIS A 59 5.723 17.400 41.512 1.00 1.00 H new ATOM 0 HB3 HIS A 59 4.409 18.029 40.538 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.470 18.481 37.792 1.00 1.00 H new ATOM 0 HE1 HIS A 59 6.671 14.269 37.994 1.00 1.00 H new ATOM 0 HE2 HIS A 59 7.096 16.288 36.474 1.00 1.00 H new ATOM 903 N HIS A 60 6.639 19.421 42.935 1.00 1.00 N ATOM 904 CA HIS A 60 6.544 19.981 44.277 1.00 1.00 C ATOM 905 C HIS A 60 5.097 20.331 44.612 1.00 1.00 C ATOM 906 O HIS A 60 4.165 19.794 44.013 1.00 1.00 O ATOM 907 CB HIS A 60 7.412 21.236 44.382 1.00 1.00 C ATOM 908 CG HIS A 60 7.993 21.330 45.767 1.00 1.00 C ATOM 909 ND1 HIS A 60 7.301 20.902 46.889 1.00 1.00 N ATOM 910 CD2 HIS A 60 9.198 21.802 46.226 1.00 1.00 C ATOM 911 CE1 HIS A 60 8.088 21.122 47.958 1.00 1.00 C ATOM 912 NE2 HIS A 60 9.255 21.670 47.610 1.00 1.00 N ATOM 0 H HIS A 60 7.236 18.597 42.859 1.00 1.00 H new ATOM 0 HA HIS A 60 6.898 19.234 44.987 1.00 1.00 H new ATOM 0 HB2 HIS A 60 8.212 21.201 43.642 1.00 1.00 H new ATOM 0 HB3 HIS A 60 6.816 22.122 44.165 1.00 1.00 H new ATOM 0 HD2 HIS A 60 9.982 22.213 45.607 1.00 1.00 H new ATOM 0 HE1 HIS A 60 7.810 20.884 48.974 1.00 1.00 H new ATOM 0 HE2 HIS A 60 10.023 21.935 48.226 1.00 1.00 H new ATOM 920 N HIS A 61 4.919 21.235 45.569 1.00 1.00 N ATOM 921 CA HIS A 61 3.581 21.650 45.974 1.00 1.00 C ATOM 922 C HIS A 61 2.878 22.381 44.835 1.00 1.00 C ATOM 923 O HIS A 61 3.523 22.864 43.904 1.00 1.00 O ATOM 924 CB HIS A 61 3.665 22.566 47.196 1.00 1.00 C ATOM 925 CG HIS A 61 2.890 21.960 48.333 1.00 1.00 C ATOM 926 ND1 HIS A 61 1.541 22.214 48.527 1.00 1.00 N ATOM 927 CD2 HIS A 61 3.260 21.108 49.345 1.00 1.00 C ATOM 928 CE1 HIS A 61 1.152 21.528 49.617 1.00 1.00 C ATOM 929 NE2 HIS A 61 2.161 20.837 50.154 1.00 1.00 N ATOM 0 H HIS A 61 5.678 21.691 46.075 1.00 1.00 H new ATOM 0 HA HIS A 61 3.007 20.759 46.227 1.00 1.00 H new ATOM 0 HB2 HIS A 61 4.706 22.707 47.486 1.00 1.00 H new ATOM 0 HB3 HIS A 61 3.265 23.551 46.954 1.00 1.00 H new ATOM 0 HD2 HIS A 61 4.253 20.709 49.491 1.00 1.00 H new ATOM 0 HE1 HIS A 61 0.146 21.535 50.010 1.00 1.00 H new ATOM 0 HE2 HIS A 61 2.132 20.239 50.980 1.00 1.00 H new ATOM 937 N HIS A 62 1.554 22.459 44.915 1.00 1.00 N ATOM 938 CA HIS A 62 0.775 23.135 43.885 1.00 1.00 C ATOM 939 C HIS A 62 1.352 24.517 43.596 1.00 1.00 C ATOM 940 O HIS A 62 2.100 25.069 44.402 1.00 1.00 O ATOM 941 CB HIS A 62 -0.681 23.271 44.336 1.00 1.00 C ATOM 942 CG HIS A 62 -1.397 21.967 44.121 1.00 1.00 C ATOM 943 ND1 HIS A 62 -1.695 21.105 45.165 1.00 1.00 N ATOM 944 CD2 HIS A 62 -1.882 21.362 42.987 1.00 1.00 C ATOM 945 CE1 HIS A 62 -2.331 20.040 44.644 1.00 1.00 C ATOM 946 NE2 HIS A 62 -2.471 20.147 43.320 1.00 1.00 N ATOM 0 H HIS A 62 1.001 22.065 45.677 1.00 1.00 H new ATOM 0 HA HIS A 62 0.818 22.539 42.974 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -0.722 23.551 45.389 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -1.174 24.065 43.775 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -1.816 21.768 41.989 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -2.685 19.201 45.225 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -2.915 19.480 42.688 1.00 1.00 H new ATOM 954 N HIS A 63 0.999 25.070 42.440 1.00 1.00 N ATOM 955 CA HIS A 63 1.489 26.389 42.056 1.00 1.00 C ATOM 956 C HIS A 63 1.159 27.418 43.133 1.00 1.00 C ATOM 957 O HIS A 63 0.050 27.440 43.664 1.00 1.00 O ATOM 958 CB HIS A 63 0.855 26.815 40.729 1.00 1.00 C ATOM 959 CG HIS A 63 1.780 26.467 39.596 1.00 1.00 C ATOM 960 ND1 HIS A 63 2.254 27.421 38.710 1.00 1.00 N ATOM 961 CD2 HIS A 63 2.328 25.274 39.193 1.00 1.00 C ATOM 962 CE1 HIS A 63 3.049 26.792 37.825 1.00 1.00 C ATOM 963 NE2 HIS A 63 3.129 25.482 38.073 1.00 1.00 N ATOM 0 H HIS A 63 0.381 24.630 41.758 1.00 1.00 H new ATOM 0 HA HIS A 63 2.572 26.335 41.941 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -0.105 26.316 40.595 1.00 1.00 H new ATOM 0 HB3 HIS A 63 0.658 27.887 40.736 1.00 1.00 H new ATOM 0 HD2 HIS A 63 2.163 24.320 39.672 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.560 27.287 37.012 1.00 1.00 H new ATOM 0 HE2 HIS A 63 3.662 24.784 37.554 1.00 1.00 H new ATOM 971 N HIS A 64 2.131 28.268 43.448 1.00 1.00 N ATOM 972 CA HIS A 64 1.935 29.296 44.463 1.00 1.00 C ATOM 973 C HIS A 64 3.127 30.246 44.500 1.00 1.00 C ATOM 974 O HIS A 64 3.760 30.332 45.539 1.00 1.00 O ATOM 975 CB HIS A 64 1.754 28.647 45.836 1.00 1.00 C ATOM 976 CG HIS A 64 1.167 29.650 46.791 1.00 1.00 C ATOM 977 ND1 HIS A 64 0.746 30.905 46.379 1.00 1.00 N ATOM 978 CD2 HIS A 64 0.924 29.599 48.141 1.00 1.00 C ATOM 979 CE1 HIS A 64 0.277 31.552 47.461 1.00 1.00 C ATOM 980 NE2 HIS A 64 0.362 30.801 48.562 1.00 1.00 N ATOM 981 OXT HIS A 64 3.390 30.876 43.488 1.00 1.00 O ATOM 0 H HIS A 64 3.056 28.266 43.018 1.00 1.00 H new ATOM 0 HA HIS A 64 1.040 29.864 44.210 1.00 1.00 H new ATOM 0 HB2 HIS A 64 1.100 27.779 45.756 1.00 1.00 H new ATOM 0 HB3 HIS A 64 2.713 28.290 46.211 1.00 1.00 H new ATOM 0 HD2 HIS A 64 1.137 28.754 48.780 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -0.120 32.556 47.442 1.00 1.00 H new ATOM 0 HE2 HIS A 64 0.077 31.054 49.508 1.00 1.00 H new TER 989 HIS A 64