USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HD1:sc= -0.689! C(o=-6.8!,f=-22!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -6.11! C(o=-6.8!,f=-25!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -1.21 (180deg=-1.76) USER MOD Single : A 9 ASN : amide:sc= -4.27! C(o=-4.3!,f=-13!) 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=-0.00144 X(o=-0.0014,f=-0.088) USER MOD Single : A 17 SER OG : rot -46:sc= 0.904 USER MOD Single : A 19 CYS SG : rot -30:sc= 0.00356 USER MOD Single : A 21 TYR OH : rot 86:sc= 0.147 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.108 (180deg=-0.526) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 170:sc= 0.0217 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 75:sc= -0.0978 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.39 F(o=-2.9!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot 72:sc= 0.787 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= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 63 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.65) USER MOD Single : A 64 HIS : no HE2:sc= -5! C(o=-5!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.961 -12.074 20.138 1.00 1.00 N ATOM 2 CA MET A 1 42.713 -12.528 21.342 1.00 1.00 C ATOM 3 C MET A 1 41.960 -12.104 22.599 1.00 1.00 C ATOM 4 O MET A 1 41.957 -12.817 23.602 1.00 1.00 O ATOM 5 CB MET A 1 44.110 -11.903 21.334 1.00 1.00 C ATOM 6 CG MET A 1 44.043 -10.513 20.696 1.00 1.00 C ATOM 7 SD MET A 1 45.426 -9.509 21.294 1.00 1.00 S ATOM 8 CE MET A 1 45.027 -8.003 20.374 1.00 1.00 C ATOM 0 H1 MET A 1 42.548 -12.209 19.290 1.00 1.00 H new ATOM 0 H2 MET A 1 41.086 -12.629 20.045 1.00 1.00 H new ATOM 0 H3 MET A 1 41.723 -11.066 20.237 1.00 1.00 H new ATOM 0 HA MET A 1 42.807 -13.614 21.330 1.00 1.00 H new ATOM 0 HB2 MET A 1 44.493 -11.830 22.352 1.00 1.00 H new ATOM 0 HB3 MET A 1 44.801 -12.537 20.778 1.00 1.00 H new ATOM 0 HG2 MET A 1 44.083 -10.597 19.610 1.00 1.00 H new ATOM 0 HG3 MET A 1 43.097 -10.032 20.944 1.00 1.00 H new ATOM 0 HE1 MET A 1 45.766 -7.234 20.597 1.00 1.00 H new ATOM 0 HE2 MET A 1 45.036 -8.216 19.305 1.00 1.00 H new ATOM 0 HE3 MET A 1 44.038 -7.650 20.665 1.00 1.00 H new ATOM 20 N GLU A 2 41.323 -10.939 22.536 1.00 1.00 N ATOM 21 CA GLU A 2 40.569 -10.430 23.675 1.00 1.00 C ATOM 22 C GLU A 2 39.252 -9.816 23.215 1.00 1.00 C ATOM 23 O GLU A 2 39.019 -8.619 23.389 1.00 1.00 O ATOM 24 CB GLU A 2 41.394 -9.378 24.419 1.00 1.00 C ATOM 25 CG GLU A 2 42.423 -10.072 25.313 1.00 1.00 C ATOM 26 CD GLU A 2 43.553 -9.106 25.654 1.00 1.00 C ATOM 27 OE1 GLU A 2 43.254 -7.979 26.011 1.00 1.00 O ATOM 28 OE2 GLU A 2 44.700 -9.508 25.553 1.00 1.00 O ATOM 0 H GLU A 2 41.314 -10.334 21.715 1.00 1.00 H new ATOM 0 HA GLU A 2 40.353 -11.262 24.345 1.00 1.00 H new ATOM 0 HB2 GLU A 2 41.898 -8.725 23.706 1.00 1.00 H new ATOM 0 HB3 GLU A 2 40.740 -8.748 25.021 1.00 1.00 H new ATOM 0 HG2 GLU A 2 41.945 -10.423 26.228 1.00 1.00 H new ATOM 0 HG3 GLU A 2 42.824 -10.950 24.806 1.00 1.00 H new ATOM 35 N GLU A 3 38.393 -10.642 22.628 1.00 1.00 N ATOM 36 CA GLU A 3 37.100 -10.167 22.146 1.00 1.00 C ATOM 37 C GLU A 3 37.287 -9.114 21.059 1.00 1.00 C ATOM 38 O GLU A 3 38.401 -8.883 20.590 1.00 1.00 O ATOM 39 CB GLU A 3 36.297 -9.572 23.304 1.00 1.00 C ATOM 40 CG GLU A 3 34.862 -10.100 23.254 1.00 1.00 C ATOM 41 CD GLU A 3 34.829 -11.564 23.680 1.00 1.00 C ATOM 42 OE1 GLU A 3 34.979 -12.415 22.818 1.00 1.00 O ATOM 43 OE2 GLU A 3 34.655 -11.814 24.860 1.00 1.00 O ATOM 0 H GLU A 3 38.566 -11.636 22.475 1.00 1.00 H new ATOM 0 HA GLU A 3 36.557 -11.013 21.726 1.00 1.00 H new ATOM 0 HB2 GLU A 3 36.760 -9.836 24.255 1.00 1.00 H new ATOM 0 HB3 GLU A 3 36.298 -8.484 23.240 1.00 1.00 H new ATOM 0 HG2 GLU A 3 34.225 -9.507 23.910 1.00 1.00 H new ATOM 0 HG3 GLU A 3 34.463 -9.997 22.245 1.00 1.00 H new ATOM 50 N GLY A 4 36.190 -8.478 20.664 1.00 1.00 N ATOM 51 CA GLY A 4 36.244 -7.449 19.632 1.00 1.00 C ATOM 52 C GLY A 4 35.208 -6.362 19.890 1.00 1.00 C ATOM 53 O GLY A 4 35.176 -5.764 20.966 1.00 1.00 O ATOM 0 H GLY A 4 35.258 -8.655 21.040 1.00 1.00 H new ATOM 0 HA2 GLY A 4 37.240 -7.008 19.605 1.00 1.00 H new ATOM 0 HA3 GLY A 4 36.068 -7.899 18.655 1.00 1.00 H new ATOM 57 N GLY A 5 34.361 -6.110 18.898 1.00 1.00 N ATOM 58 CA GLY A 5 33.326 -5.090 19.030 1.00 1.00 C ATOM 59 C GLY A 5 33.191 -4.282 17.744 1.00 1.00 C ATOM 60 O GLY A 5 32.091 -4.122 17.214 1.00 1.00 O ATOM 0 H GLY A 5 34.370 -6.594 18.000 1.00 1.00 H new ATOM 0 HA2 GLY A 5 32.373 -5.562 19.269 1.00 1.00 H new ATOM 0 HA3 GLY A 5 33.569 -4.425 19.858 1.00 1.00 H new ATOM 64 N ASP A 6 34.314 -3.775 17.249 1.00 1.00 N ATOM 65 CA ASP A 6 34.309 -2.984 16.024 1.00 1.00 C ATOM 66 C ASP A 6 35.729 -2.570 15.648 1.00 1.00 C ATOM 67 O ASP A 6 36.076 -1.390 15.700 1.00 1.00 O ATOM 68 CB ASP A 6 33.445 -1.736 16.212 1.00 1.00 C ATOM 69 CG ASP A 6 33.596 -1.206 17.634 1.00 1.00 C ATOM 70 OD1 ASP A 6 34.654 -0.683 17.942 1.00 1.00 O ATOM 71 OD2 ASP A 6 32.651 -1.334 18.396 1.00 1.00 O ATOM 0 H ASP A 6 35.234 -3.896 17.673 1.00 1.00 H new ATOM 0 HA ASP A 6 33.896 -3.594 15.221 1.00 1.00 H new ATOM 0 HB2 ASP A 6 33.739 -0.969 15.496 1.00 1.00 H new ATOM 0 HB3 ASP A 6 32.400 -1.974 16.013 1.00 1.00 H new ATOM 76 N PHE A 7 36.543 -3.549 15.267 1.00 1.00 N ATOM 77 CA PHE A 7 37.924 -3.273 14.884 1.00 1.00 C ATOM 78 C PHE A 7 37.979 -2.159 13.843 1.00 1.00 C ATOM 79 O PHE A 7 36.950 -1.744 13.309 1.00 1.00 O ATOM 80 CB PHE A 7 38.569 -4.538 14.314 1.00 1.00 C ATOM 81 CG PHE A 7 39.235 -5.309 15.428 1.00 1.00 C ATOM 82 CD1 PHE A 7 40.429 -4.840 15.989 1.00 1.00 C ATOM 83 CD2 PHE A 7 38.658 -6.494 15.901 1.00 1.00 C ATOM 84 CE1 PHE A 7 41.046 -5.556 17.021 1.00 1.00 C ATOM 85 CE2 PHE A 7 39.275 -7.209 16.935 1.00 1.00 C ATOM 86 CZ PHE A 7 40.469 -6.740 17.494 1.00 1.00 C ATOM 0 H PHE A 7 36.275 -4.532 15.215 1.00 1.00 H new ATOM 0 HA PHE A 7 38.471 -2.953 15.771 1.00 1.00 H new ATOM 0 HB2 PHE A 7 37.814 -5.157 13.829 1.00 1.00 H new ATOM 0 HB3 PHE A 7 39.302 -4.274 13.552 1.00 1.00 H new ATOM 0 HD1 PHE A 7 40.874 -3.926 15.625 1.00 1.00 H new ATOM 0 HD2 PHE A 7 37.737 -6.856 15.468 1.00 1.00 H new ATOM 0 HE1 PHE A 7 41.968 -5.195 17.453 1.00 1.00 H new ATOM 0 HE2 PHE A 7 38.829 -8.122 17.301 1.00 1.00 H new ATOM 0 HZ PHE A 7 40.945 -7.292 18.291 1.00 1.00 H new ATOM 96 N ASP A 8 39.186 -1.680 13.561 1.00 1.00 N ATOM 97 CA ASP A 8 39.364 -0.612 12.583 1.00 1.00 C ATOM 98 C ASP A 8 39.430 -1.185 11.171 1.00 1.00 C ATOM 99 O ASP A 8 39.737 -0.471 10.216 1.00 1.00 O ATOM 100 CB ASP A 8 40.648 0.162 12.883 1.00 1.00 C ATOM 101 CG ASP A 8 40.594 0.736 14.295 1.00 1.00 C ATOM 102 OD1 ASP A 8 39.499 0.886 14.810 1.00 1.00 O ATOM 103 OD2 ASP A 8 41.649 1.015 14.840 1.00 1.00 O ATOM 0 H ASP A 8 40.049 -2.011 13.992 1.00 1.00 H new ATOM 0 HA ASP A 8 38.510 0.063 12.649 1.00 1.00 H new ATOM 0 HB2 ASP A 8 41.511 -0.496 12.782 1.00 1.00 H new ATOM 0 HB3 ASP A 8 40.775 0.967 12.159 1.00 1.00 H new ATOM 108 N ASN A 9 39.140 -2.476 11.047 1.00 1.00 N ATOM 109 CA ASN A 9 39.169 -3.135 9.746 1.00 1.00 C ATOM 110 C ASN A 9 40.375 -2.670 8.936 1.00 1.00 C ATOM 111 O ASN A 9 41.467 -3.226 9.056 1.00 1.00 O ATOM 112 CB ASN A 9 37.884 -2.827 8.977 1.00 1.00 C ATOM 113 CG ASN A 9 37.959 -3.422 7.575 1.00 1.00 C ATOM 114 OD1 ASN A 9 38.934 -4.091 7.235 1.00 1.00 O ATOM 115 ND2 ASN A 9 36.980 -3.216 6.736 1.00 1.00 N ATOM 0 H ASN A 9 38.884 -3.083 11.826 1.00 1.00 H new ATOM 0 HA ASN A 9 39.247 -4.210 9.905 1.00 1.00 H new ATOM 0 HB2 ASN A 9 37.025 -3.236 9.509 1.00 1.00 H new ATOM 0 HB3 ASN A 9 37.737 -1.749 8.916 1.00 1.00 H new ATOM 0 HD21 ASN A 9 37.022 -3.610 5.796 1.00 1.00 H new ATOM 0 HD22 ASN A 9 36.173 -2.661 7.020 1.00 1.00 H new ATOM 122 N TYR A 10 40.170 -1.647 8.112 1.00 1.00 N ATOM 123 CA TYR A 10 41.249 -1.117 7.288 1.00 1.00 C ATOM 124 C TYR A 10 42.544 -1.037 8.090 1.00 1.00 C ATOM 125 O TYR A 10 42.520 -0.943 9.318 1.00 1.00 O ATOM 126 CB TYR A 10 40.878 0.275 6.773 1.00 1.00 C ATOM 127 CG TYR A 10 39.420 0.296 6.384 1.00 1.00 C ATOM 128 CD1 TYR A 10 38.441 0.561 7.350 1.00 1.00 C ATOM 129 CD2 TYR A 10 39.045 0.051 5.058 1.00 1.00 C ATOM 130 CE1 TYR A 10 37.089 0.580 6.990 1.00 1.00 C ATOM 131 CE2 TYR A 10 37.693 0.072 4.697 1.00 1.00 C ATOM 132 CZ TYR A 10 36.714 0.336 5.662 1.00 1.00 C ATOM 133 OH TYR A 10 35.381 0.356 5.307 1.00 1.00 O ATOM 0 H TYR A 10 39.274 -1.172 7.998 1.00 1.00 H new ATOM 0 HA TYR A 10 41.399 -1.788 6.442 1.00 1.00 H new ATOM 0 HB2 TYR A 10 41.071 1.022 7.543 1.00 1.00 H new ATOM 0 HB3 TYR A 10 41.498 0.534 5.915 1.00 1.00 H new ATOM 0 HD1 TYR A 10 38.730 0.751 8.373 1.00 1.00 H new ATOM 0 HD2 TYR A 10 39.799 -0.154 4.313 1.00 1.00 H new ATOM 0 HE1 TYR A 10 36.334 0.783 7.736 1.00 1.00 H new ATOM 0 HE2 TYR A 10 37.405 -0.116 3.673 1.00 1.00 H new ATOM 0 HH TYR A 10 35.295 0.168 4.349 1.00 1.00 H new ATOM 143 N TYR A 11 43.671 -1.077 7.389 1.00 1.00 N ATOM 144 CA TYR A 11 44.971 -1.010 8.048 1.00 1.00 C ATOM 145 C TYR A 11 44.984 -1.891 9.293 1.00 1.00 C ATOM 146 O TYR A 11 45.552 -1.523 10.320 1.00 1.00 O ATOM 147 CB TYR A 11 45.286 0.434 8.438 1.00 1.00 C ATOM 148 CG TYR A 11 45.534 1.250 7.192 1.00 1.00 C ATOM 149 CD1 TYR A 11 46.784 1.205 6.562 1.00 1.00 C ATOM 150 CD2 TYR A 11 44.514 2.051 6.665 1.00 1.00 C ATOM 151 CE1 TYR A 11 47.013 1.961 5.406 1.00 1.00 C ATOM 152 CE2 TYR A 11 44.743 2.807 5.509 1.00 1.00 C ATOM 153 CZ TYR A 11 45.993 2.762 4.881 1.00 1.00 C ATOM 154 OH TYR A 11 46.220 3.507 3.741 1.00 1.00 O ATOM 0 H TYR A 11 43.712 -1.155 6.373 1.00 1.00 H new ATOM 0 HA TYR A 11 45.730 -1.370 7.353 1.00 1.00 H new ATOM 0 HB2 TYR A 11 44.457 0.858 9.004 1.00 1.00 H new ATOM 0 HB3 TYR A 11 46.162 0.464 9.086 1.00 1.00 H new ATOM 0 HD1 TYR A 11 47.571 0.587 6.968 1.00 1.00 H new ATOM 0 HD2 TYR A 11 43.550 2.086 7.150 1.00 1.00 H new ATOM 0 HE1 TYR A 11 47.977 1.926 4.920 1.00 1.00 H new ATOM 0 HE2 TYR A 11 43.956 3.424 5.102 1.00 1.00 H new ATOM 0 HH TYR A 11 45.409 4.006 3.509 1.00 1.00 H new ATOM 164 N GLY A 12 44.356 -3.057 9.188 1.00 1.00 N ATOM 165 CA GLY A 12 44.300 -3.987 10.310 1.00 1.00 C ATOM 166 C GLY A 12 43.297 -5.102 10.042 1.00 1.00 C ATOM 167 O GLY A 12 42.732 -5.679 10.971 1.00 1.00 O ATOM 0 H GLY A 12 43.882 -3.379 8.344 1.00 1.00 H new ATOM 0 HA2 GLY A 12 45.288 -4.415 10.483 1.00 1.00 H new ATOM 0 HA3 GLY A 12 44.021 -3.452 11.218 1.00 1.00 H new ATOM 171 N ALA A 13 43.085 -5.399 8.764 1.00 1.00 N ATOM 172 CA ALA A 13 42.149 -6.447 8.370 1.00 1.00 C ATOM 173 C ALA A 13 42.819 -7.433 7.417 1.00 1.00 C ATOM 174 O ALA A 13 42.447 -8.605 7.360 1.00 1.00 O ATOM 175 CB ALA A 13 40.928 -5.828 7.688 1.00 1.00 C ATOM 0 H ALA A 13 43.547 -4.930 7.985 1.00 1.00 H new ATOM 0 HA ALA A 13 41.833 -6.981 9.266 1.00 1.00 H new ATOM 0 HB1 ALA A 13 40.235 -6.617 7.397 1.00 1.00 H new ATOM 0 HB2 ALA A 13 40.432 -5.146 8.379 1.00 1.00 H new ATOM 0 HB3 ALA A 13 41.246 -5.279 6.801 1.00 1.00 H new ATOM 181 N ASP A 14 43.808 -6.949 6.672 1.00 1.00 N ATOM 182 CA ASP A 14 44.523 -7.799 5.726 1.00 1.00 C ATOM 183 C ASP A 14 45.807 -8.333 6.351 1.00 1.00 C ATOM 184 O ASP A 14 46.285 -9.408 5.988 1.00 1.00 O ATOM 185 CB ASP A 14 44.859 -7.004 4.463 1.00 1.00 C ATOM 186 CG ASP A 14 43.577 -6.508 3.803 1.00 1.00 C ATOM 187 OD1 ASP A 14 42.636 -6.222 4.525 1.00 1.00 O ATOM 188 OD2 ASP A 14 43.555 -6.421 2.586 1.00 1.00 O ATOM 0 H ASP A 14 44.130 -5.982 6.704 1.00 1.00 H new ATOM 0 HA ASP A 14 43.882 -8.642 5.465 1.00 1.00 H new ATOM 0 HB2 ASP A 14 45.499 -6.158 4.715 1.00 1.00 H new ATOM 0 HB3 ASP A 14 45.418 -7.630 3.767 1.00 1.00 H new ATOM 193 N ASN A 15 46.361 -7.575 7.291 1.00 1.00 N ATOM 194 CA ASN A 15 47.591 -7.983 7.961 1.00 1.00 C ATOM 195 C ASN A 15 47.478 -9.419 8.460 1.00 1.00 C ATOM 196 O ASN A 15 48.481 -10.122 8.592 1.00 1.00 O ATOM 197 CB ASN A 15 47.877 -7.052 9.140 1.00 1.00 C ATOM 198 CG ASN A 15 49.151 -6.255 8.879 1.00 1.00 C ATOM 199 OD1 ASN A 15 50.119 -6.369 9.630 1.00 1.00 O ATOM 200 ND2 ASN A 15 49.208 -5.452 7.853 1.00 1.00 N ATOM 0 H ASN A 15 45.982 -6.682 7.605 1.00 1.00 H new ATOM 0 HA ASN A 15 48.410 -7.923 7.244 1.00 1.00 H new ATOM 0 HB2 ASN A 15 47.038 -6.373 9.289 1.00 1.00 H new ATOM 0 HB3 ASN A 15 47.983 -7.634 10.056 1.00 1.00 H new ATOM 0 HD21 ASN A 15 50.057 -4.916 7.671 1.00 1.00 H new ATOM 0 HD22 ASN A 15 48.404 -5.360 7.232 1.00 1.00 H new ATOM 207 N GLN A 16 46.252 -9.850 8.737 1.00 1.00 N ATOM 208 CA GLN A 16 46.020 -11.206 9.222 1.00 1.00 C ATOM 209 C GLN A 16 45.657 -12.133 8.066 1.00 1.00 C ATOM 210 O GLN A 16 45.710 -13.356 8.199 1.00 1.00 O ATOM 211 CB GLN A 16 44.889 -11.205 10.253 1.00 1.00 C ATOM 212 CG GLN A 16 43.541 -11.256 9.533 1.00 1.00 C ATOM 213 CD GLN A 16 42.438 -10.749 10.455 1.00 1.00 C ATOM 214 OE1 GLN A 16 42.502 -9.619 10.939 1.00 1.00 O ATOM 215 NE2 GLN A 16 41.424 -11.522 10.730 1.00 1.00 N ATOM 0 H GLN A 16 45.409 -9.285 8.635 1.00 1.00 H new ATOM 0 HA GLN A 16 46.936 -11.567 9.689 1.00 1.00 H new ATOM 0 HB2 GLN A 16 44.990 -12.062 10.920 1.00 1.00 H new ATOM 0 HB3 GLN A 16 44.948 -10.310 10.873 1.00 1.00 H new ATOM 0 HG2 GLN A 16 43.579 -10.648 8.629 1.00 1.00 H new ATOM 0 HG3 GLN A 16 43.324 -12.278 9.221 1.00 1.00 H new ATOM 0 HE21 GLN A 16 41.373 -12.458 10.328 1.00 1.00 H new ATOM 0 HE22 GLN A 16 40.683 -11.190 11.347 1.00 1.00 H new ATOM 224 N SER A 17 45.288 -11.543 6.934 1.00 1.00 N ATOM 225 CA SER A 17 44.918 -12.326 5.761 1.00 1.00 C ATOM 226 C SER A 17 46.163 -12.828 5.037 1.00 1.00 C ATOM 227 O SER A 17 46.202 -13.963 4.561 1.00 1.00 O ATOM 228 CB SER A 17 44.080 -11.474 4.808 1.00 1.00 C ATOM 229 OG SER A 17 44.922 -10.534 4.154 1.00 1.00 O ATOM 0 H SER A 17 45.237 -10.533 6.804 1.00 1.00 H new ATOM 0 HA SER A 17 44.333 -13.184 6.090 1.00 1.00 H new ATOM 0 HB2 SER A 17 43.586 -12.109 4.073 1.00 1.00 H new ATOM 0 HB3 SER A 17 43.296 -10.955 5.360 1.00 1.00 H new ATOM 0 HG SER A 17 45.516 -10.114 4.811 1.00 1.00 H new ATOM 235 N GLU A 18 47.179 -11.976 4.957 1.00 1.00 N ATOM 236 CA GLU A 18 48.421 -12.344 4.288 1.00 1.00 C ATOM 237 C GLU A 18 48.868 -13.738 4.717 1.00 1.00 C ATOM 238 O GLU A 18 49.355 -14.522 3.904 1.00 1.00 O ATOM 239 CB GLU A 18 49.516 -11.329 4.624 1.00 1.00 C ATOM 240 CG GLU A 18 49.101 -9.945 4.123 1.00 1.00 C ATOM 241 CD GLU A 18 50.185 -8.924 4.452 1.00 1.00 C ATOM 242 OE1 GLU A 18 50.403 -8.680 5.627 1.00 1.00 O ATOM 243 OE2 GLU A 18 50.780 -8.401 3.524 1.00 1.00 O ATOM 0 H GLU A 18 47.168 -11.032 5.344 1.00 1.00 H new ATOM 0 HA GLU A 18 48.245 -12.346 3.212 1.00 1.00 H new ATOM 0 HB2 GLU A 18 49.684 -11.302 5.701 1.00 1.00 H new ATOM 0 HB3 GLU A 18 50.457 -11.627 4.162 1.00 1.00 H new ATOM 0 HG2 GLU A 18 48.932 -9.974 3.047 1.00 1.00 H new ATOM 0 HG3 GLU A 18 48.159 -9.649 4.585 1.00 1.00 H new ATOM 250 N CYS A 19 48.697 -14.038 6.001 1.00 1.00 N ATOM 251 CA CYS A 19 49.085 -15.341 6.528 1.00 1.00 C ATOM 252 C CYS A 19 48.348 -16.456 5.794 1.00 1.00 C ATOM 253 O CYS A 19 48.864 -17.565 5.648 1.00 1.00 O ATOM 254 CB CYS A 19 48.769 -15.415 8.023 1.00 1.00 C ATOM 255 SG CYS A 19 49.602 -16.852 8.745 1.00 1.00 S ATOM 0 H CYS A 19 48.296 -13.402 6.690 1.00 1.00 H new ATOM 0 HA CYS A 19 50.157 -15.469 6.377 1.00 1.00 H new ATOM 0 HB2 CYS A 19 49.098 -14.503 8.521 1.00 1.00 H new ATOM 0 HB3 CYS A 19 47.692 -15.491 8.175 1.00 1.00 H new ATOM 0 HG CYS A 19 49.711 -17.787 7.848 1.00 1.00 H new ATOM 261 N GLU A 20 47.138 -16.155 5.333 1.00 1.00 N ATOM 262 CA GLU A 20 46.338 -17.140 4.614 1.00 1.00 C ATOM 263 C GLU A 20 46.608 -17.057 3.115 1.00 1.00 C ATOM 264 O GLU A 20 46.443 -18.037 2.389 1.00 1.00 O ATOM 265 CB GLU A 20 44.851 -16.901 4.882 1.00 1.00 C ATOM 266 CG GLU A 20 44.495 -17.408 6.280 1.00 1.00 C ATOM 267 CD GLU A 20 45.437 -16.796 7.312 1.00 1.00 C ATOM 268 OE1 GLU A 20 45.465 -15.581 7.413 1.00 1.00 O ATOM 269 OE2 GLU A 20 46.115 -17.552 7.988 1.00 1.00 O ATOM 0 H GLU A 20 46.693 -15.244 5.443 1.00 1.00 H new ATOM 0 HA GLU A 20 46.614 -18.134 4.967 1.00 1.00 H new ATOM 0 HB2 GLU A 20 44.622 -15.838 4.800 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.249 -17.415 4.133 1.00 1.00 H new ATOM 0 HG2 GLU A 20 43.463 -17.149 6.518 1.00 1.00 H new ATOM 0 HG3 GLU A 20 44.566 -18.495 6.311 1.00 1.00 H new ATOM 276 N TYR A 21 47.022 -15.880 2.658 1.00 1.00 N ATOM 277 CA TYR A 21 47.311 -15.679 1.243 1.00 1.00 C ATOM 278 C TYR A 21 48.343 -16.693 0.758 1.00 1.00 C ATOM 279 O TYR A 21 48.179 -17.302 -0.299 1.00 1.00 O ATOM 280 CB TYR A 21 47.838 -14.262 1.014 1.00 1.00 C ATOM 281 CG TYR A 21 47.936 -13.993 -0.469 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.018 -14.496 -1.202 1.00 1.00 C ATOM 283 CD2 TYR A 21 46.943 -13.243 -1.111 1.00 1.00 C ATOM 284 CE1 TYR A 21 49.108 -14.247 -2.576 1.00 1.00 C ATOM 285 CE2 TYR A 21 47.033 -12.995 -2.486 1.00 1.00 C ATOM 286 CZ TYR A 21 48.116 -13.497 -3.218 1.00 1.00 C ATOM 287 OH TYR A 21 48.205 -13.252 -4.574 1.00 1.00 O ATOM 0 H TYR A 21 47.164 -15.056 3.242 1.00 1.00 H new ATOM 0 HA TYR A 21 46.389 -15.818 0.679 1.00 1.00 H new ATOM 0 HB2 TYR A 21 47.174 -13.536 1.483 1.00 1.00 H new ATOM 0 HB3 TYR A 21 48.816 -14.147 1.480 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.783 -15.076 -0.707 1.00 1.00 H new ATOM 0 HD2 TYR A 21 46.108 -12.856 -0.546 1.00 1.00 H new ATOM 0 HE1 TYR A 21 49.943 -14.634 -3.141 1.00 1.00 H new ATOM 0 HE2 TYR A 21 46.267 -12.417 -2.982 1.00 1.00 H new ATOM 0 HH TYR A 21 47.810 -14.001 -5.068 1.00 1.00 H new ATOM 297 N THR A 22 49.405 -16.866 1.537 1.00 1.00 N ATOM 298 CA THR A 22 50.459 -17.809 1.176 1.00 1.00 C ATOM 299 C THR A 22 49.893 -19.219 1.041 1.00 1.00 C ATOM 300 O THR A 22 50.447 -20.055 0.328 1.00 1.00 O ATOM 301 CB THR A 22 51.557 -17.798 2.241 1.00 1.00 C ATOM 302 OG1 THR A 22 51.020 -18.251 3.476 1.00 1.00 O ATOM 303 CG2 THR A 22 52.095 -16.376 2.407 1.00 1.00 C ATOM 0 H THR A 22 49.559 -16.371 2.415 1.00 1.00 H new ATOM 0 HA THR A 22 50.880 -17.505 0.218 1.00 1.00 H new ATOM 0 HB THR A 22 52.369 -18.457 1.934 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.722 -18.246 4.159 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.877 -16.369 3.166 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.506 -16.030 1.459 1.00 1.00 H new ATOM 0 HG23 THR A 22 51.285 -15.714 2.715 1.00 1.00 H new ATOM 311 N ASP A 23 48.787 -19.476 1.731 1.00 1.00 N ATOM 312 CA ASP A 23 48.155 -20.788 1.682 1.00 1.00 C ATOM 313 C ASP A 23 47.151 -20.858 0.535 1.00 1.00 C ATOM 314 O ASP A 23 47.162 -21.801 -0.256 1.00 1.00 O ATOM 315 CB ASP A 23 47.441 -21.075 3.005 1.00 1.00 C ATOM 316 CG ASP A 23 47.702 -22.513 3.438 1.00 1.00 C ATOM 317 OD1 ASP A 23 48.754 -22.759 4.006 1.00 1.00 O ATOM 318 OD2 ASP A 23 46.848 -23.349 3.194 1.00 1.00 O ATOM 0 H ASP A 23 48.313 -18.798 2.327 1.00 1.00 H new ATOM 0 HA ASP A 23 48.930 -21.537 1.518 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.791 -20.386 3.774 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.370 -20.909 2.893 1.00 1.00 H new ATOM 323 N TRP A 24 46.284 -19.854 0.453 1.00 1.00 N ATOM 324 CA TRP A 24 45.277 -19.812 -0.601 1.00 1.00 C ATOM 325 C TRP A 24 45.878 -20.244 -1.935 1.00 1.00 C ATOM 326 O TRP A 24 45.401 -21.189 -2.564 1.00 1.00 O ATOM 327 CB TRP A 24 44.714 -18.395 -0.729 1.00 1.00 C ATOM 328 CG TRP A 24 44.349 -18.132 -2.155 1.00 1.00 C ATOM 329 CD1 TRP A 24 43.183 -18.492 -2.737 1.00 1.00 C ATOM 330 CD2 TRP A 24 45.131 -17.461 -3.186 1.00 1.00 C ATOM 331 NE1 TRP A 24 43.198 -18.085 -4.059 1.00 1.00 N ATOM 332 CE2 TRP A 24 44.378 -17.446 -4.384 1.00 1.00 C ATOM 333 CE3 TRP A 24 46.408 -16.871 -3.198 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.873 -16.865 -5.552 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.910 -16.286 -4.372 1.00 1.00 C ATOM 336 CH2 TRP A 24 46.144 -16.284 -5.547 1.00 1.00 C ATOM 0 H TRP A 24 46.258 -19.064 1.098 1.00 1.00 H new ATOM 0 HA TRP A 24 44.474 -20.500 -0.337 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.838 -18.281 -0.091 1.00 1.00 H new ATOM 0 HB3 TRP A 24 45.451 -17.667 -0.391 1.00 1.00 H new ATOM 0 HD1 TRP A 24 42.372 -19.012 -2.249 1.00 1.00 H new ATOM 0 HE1 TRP A 24 42.431 -18.238 -4.714 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.006 -16.868 -2.299 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 44.278 -16.864 -6.453 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 47.891 -15.835 -4.370 1.00 1.00 H new ATOM 0 HH2 TRP A 24 46.536 -15.834 -6.447 1.00 1.00 H new ATOM 347 N LYS A 25 46.926 -19.547 -2.359 1.00 1.00 N ATOM 348 CA LYS A 25 47.584 -19.867 -3.620 1.00 1.00 C ATOM 349 C LYS A 25 47.840 -21.368 -3.726 1.00 1.00 C ATOM 350 O LYS A 25 47.891 -21.924 -4.823 1.00 1.00 O ATOM 351 CB LYS A 25 48.911 -19.114 -3.723 1.00 1.00 C ATOM 352 CG LYS A 25 49.451 -19.222 -5.150 1.00 1.00 C ATOM 353 CD LYS A 25 50.806 -18.517 -5.239 1.00 1.00 C ATOM 354 CE LYS A 25 50.937 -17.832 -6.600 1.00 1.00 C ATOM 355 NZ LYS A 25 50.000 -16.675 -6.665 1.00 1.00 N ATOM 0 H LYS A 25 47.336 -18.762 -1.852 1.00 1.00 H new ATOM 0 HA LYS A 25 46.929 -19.563 -4.436 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.769 -18.067 -3.455 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.632 -19.528 -3.018 1.00 1.00 H new ATOM 0 HG2 LYS A 25 49.555 -20.270 -5.432 1.00 1.00 H new ATOM 0 HG3 LYS A 25 48.748 -18.772 -5.851 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.898 -17.782 -4.440 1.00 1.00 H new ATOM 0 HD3 LYS A 25 51.612 -19.238 -5.104 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.962 -17.493 -6.751 1.00 1.00 H new ATOM 0 HE3 LYS A 25 50.714 -18.540 -7.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 50.396 -15.942 -7.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 49.084 -16.991 -7.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.865 -16.283 -5.711 1.00 1.00 H new ATOM 369 N SER A 26 48.000 -22.017 -2.577 1.00 1.00 N ATOM 370 CA SER A 26 48.251 -23.453 -2.552 1.00 1.00 C ATOM 371 C SER A 26 46.937 -24.225 -2.475 1.00 1.00 C ATOM 372 O SER A 26 46.712 -25.162 -3.242 1.00 1.00 O ATOM 373 CB SER A 26 49.124 -23.810 -1.349 1.00 1.00 C ATOM 374 OG SER A 26 49.881 -22.669 -0.964 1.00 1.00 O ATOM 0 H SER A 26 47.961 -21.576 -1.658 1.00 1.00 H new ATOM 0 HA SER A 26 48.769 -23.728 -3.471 1.00 1.00 H new ATOM 0 HB2 SER A 26 48.501 -24.145 -0.519 1.00 1.00 H new ATOM 0 HB3 SER A 26 49.790 -24.635 -1.600 1.00 1.00 H new ATOM 0 HG SER A 26 50.441 -22.893 -0.192 1.00 1.00 H new ATOM 380 N SER A 27 46.075 -23.826 -1.546 1.00 1.00 N ATOM 381 CA SER A 27 44.787 -24.489 -1.380 1.00 1.00 C ATOM 382 C SER A 27 43.803 -24.027 -2.449 1.00 1.00 C ATOM 383 O SER A 27 42.639 -24.425 -2.450 1.00 1.00 O ATOM 384 CB SER A 27 44.218 -24.184 0.007 1.00 1.00 C ATOM 385 OG SER A 27 45.286 -23.904 0.901 1.00 1.00 O ATOM 0 H SER A 27 46.243 -23.053 -0.901 1.00 1.00 H new ATOM 0 HA SER A 27 44.937 -25.564 -1.483 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.539 -23.333 -0.045 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.638 -25.033 0.370 1.00 1.00 H new ATOM 0 HG SER A 27 44.925 -23.553 1.742 1.00 1.00 H new ATOM 391 N GLY A 28 44.280 -23.185 -3.361 1.00 1.00 N ATOM 392 CA GLY A 28 43.433 -22.677 -4.433 1.00 1.00 C ATOM 393 C GLY A 28 43.420 -23.639 -5.615 1.00 1.00 C ATOM 394 O GLY A 28 42.655 -23.464 -6.563 1.00 1.00 O ATOM 0 H GLY A 28 45.241 -22.843 -3.379 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.418 -22.534 -4.063 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.795 -21.701 -4.757 1.00 1.00 H new ATOM 398 N ALA A 29 44.270 -24.659 -5.549 1.00 1.00 N ATOM 399 CA ALA A 29 44.346 -25.649 -6.617 1.00 1.00 C ATOM 400 C ALA A 29 43.444 -26.837 -6.302 1.00 1.00 C ATOM 401 O ALA A 29 43.824 -27.989 -6.504 1.00 1.00 O ATOM 402 CB ALA A 29 45.788 -26.128 -6.785 1.00 1.00 C ATOM 0 H ALA A 29 44.912 -24.821 -4.773 1.00 1.00 H new ATOM 0 HA ALA A 29 44.011 -25.186 -7.545 1.00 1.00 H new ATOM 0 HB1 ALA A 29 45.835 -26.867 -7.585 1.00 1.00 H new ATOM 0 HB2 ALA A 29 46.426 -25.281 -7.036 1.00 1.00 H new ATOM 0 HB3 ALA A 29 46.133 -26.578 -5.854 1.00 1.00 H new ATOM 408 N LEU A 30 42.247 -26.544 -5.803 1.00 1.00 N ATOM 409 CA LEU A 30 41.295 -27.595 -5.459 1.00 1.00 C ATOM 410 C LEU A 30 39.928 -27.005 -5.116 1.00 1.00 C ATOM 411 O LEU A 30 38.899 -27.653 -5.309 1.00 1.00 O ATOM 412 CB LEU A 30 41.817 -28.402 -4.270 1.00 1.00 C ATOM 413 CG LEU A 30 41.943 -27.491 -3.048 1.00 1.00 C ATOM 414 CD1 LEU A 30 40.823 -27.808 -2.056 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.298 -27.727 -2.376 1.00 1.00 C ATOM 0 H LEU A 30 41.915 -25.595 -5.629 1.00 1.00 H new ATOM 0 HA LEU A 30 41.183 -28.248 -6.324 1.00 1.00 H new ATOM 0 HB2 LEU A 30 41.140 -29.228 -4.052 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.786 -28.840 -4.512 1.00 1.00 H new ATOM 0 HG LEU A 30 41.866 -26.450 -3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 30 40.913 -27.158 -1.185 1.00 1.00 H new ATOM 0 HD12 LEU A 30 39.857 -27.643 -2.533 1.00 1.00 H new ATOM 0 HD13 LEU A 30 40.899 -28.849 -1.742 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.390 -27.079 -1.505 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.372 -28.768 -2.063 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.098 -27.502 -3.081 1.00 1.00 H new ATOM 427 N ILE A 31 39.920 -25.774 -4.606 1.00 1.00 N ATOM 428 CA ILE A 31 38.669 -25.121 -4.242 1.00 1.00 C ATOM 429 C ILE A 31 37.866 -24.696 -5.478 1.00 1.00 C ATOM 430 O ILE A 31 36.636 -24.727 -5.452 1.00 1.00 O ATOM 431 CB ILE A 31 38.941 -23.902 -3.351 1.00 1.00 C ATOM 432 CG1 ILE A 31 39.158 -24.369 -1.910 1.00 1.00 C ATOM 433 CG2 ILE A 31 37.741 -22.952 -3.401 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.713 -23.214 -1.075 1.00 1.00 C ATOM 0 H ILE A 31 40.757 -25.216 -4.438 1.00 1.00 H new ATOM 0 HA ILE A 31 38.073 -25.847 -3.689 1.00 1.00 H new ATOM 0 HB ILE A 31 39.830 -23.382 -3.707 1.00 1.00 H new ATOM 0 HG12 ILE A 31 38.217 -24.719 -1.485 1.00 1.00 H new ATOM 0 HG13 ILE A 31 39.850 -25.211 -1.890 1.00 1.00 H new ATOM 0 HG21 ILE A 31 37.935 -22.086 -2.768 1.00 1.00 H new ATOM 0 HG22 ILE A 31 37.581 -22.622 -4.427 1.00 1.00 H new ATOM 0 HG23 ILE A 31 36.851 -23.471 -3.044 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.867 -23.548 -0.049 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.663 -22.884 -1.496 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.005 -22.385 -1.084 1.00 1.00 H new ATOM 446 N PRO A 32 38.512 -24.301 -6.554 1.00 1.00 N ATOM 447 CA PRO A 32 37.795 -23.871 -7.794 1.00 1.00 C ATOM 448 C PRO A 32 36.900 -24.976 -8.349 1.00 1.00 C ATOM 449 O PRO A 32 35.881 -24.703 -8.982 1.00 1.00 O ATOM 450 CB PRO A 32 38.915 -23.532 -8.783 1.00 1.00 C ATOM 451 CG PRO A 32 40.137 -23.327 -7.952 1.00 1.00 C ATOM 452 CD PRO A 32 39.972 -24.215 -6.724 1.00 1.00 C ATOM 0 HA PRO A 32 37.130 -23.029 -7.602 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.061 -24.339 -9.502 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.675 -22.635 -9.355 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.035 -23.595 -8.508 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.241 -22.281 -7.664 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.417 -25.198 -6.877 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.453 -23.781 -5.847 1.00 1.00 H new ATOM 460 N ALA A 33 37.289 -26.223 -8.106 1.00 1.00 N ATOM 461 CA ALA A 33 36.513 -27.361 -8.586 1.00 1.00 C ATOM 462 C ALA A 33 35.078 -27.283 -8.075 1.00 1.00 C ATOM 463 O ALA A 33 34.143 -27.087 -8.851 1.00 1.00 O ATOM 464 CB ALA A 33 37.155 -28.667 -8.115 1.00 1.00 C ATOM 0 H ALA A 33 38.130 -26.471 -7.584 1.00 1.00 H new ATOM 0 HA ALA A 33 36.501 -27.336 -9.676 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.569 -29.512 -8.478 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.170 -28.735 -8.506 1.00 1.00 H new ATOM 0 HB3 ALA A 33 37.183 -28.686 -7.026 1.00 1.00 H new ATOM 470 N ILE A 34 34.912 -27.436 -6.766 1.00 1.00 N ATOM 471 CA ILE A 34 33.585 -27.380 -6.163 1.00 1.00 C ATOM 472 C ILE A 34 32.851 -26.122 -6.615 1.00 1.00 C ATOM 473 O ILE A 34 31.655 -26.158 -6.901 1.00 1.00 O ATOM 474 CB ILE A 34 33.706 -27.391 -4.636 1.00 1.00 C ATOM 475 CG1 ILE A 34 33.836 -28.841 -4.148 1.00 1.00 C ATOM 476 CG2 ILE A 34 32.468 -26.741 -4.009 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.448 -29.449 -3.922 1.00 1.00 C ATOM 0 H ILE A 34 35.673 -27.599 -6.106 1.00 1.00 H new ATOM 0 HA ILE A 34 33.017 -28.253 -6.484 1.00 1.00 H new ATOM 0 HB ILE A 34 34.589 -26.826 -4.339 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.385 -29.432 -4.882 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.409 -28.871 -3.222 1.00 1.00 H new ATOM 0 HG21 ILE A 34 32.561 -26.753 -2.923 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.383 -25.711 -4.355 1.00 1.00 H new ATOM 0 HG23 ILE A 34 31.577 -27.297 -4.302 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.553 -30.477 -3.576 1.00 1.00 H new ATOM 0 HD12 ILE A 34 31.913 -28.867 -3.172 1.00 1.00 H new ATOM 0 HD13 ILE A 34 31.889 -29.436 -4.857 1.00 1.00 H new ATOM 489 N TYR A 35 33.578 -25.011 -6.679 1.00 1.00 N ATOM 490 CA TYR A 35 32.987 -23.746 -7.098 1.00 1.00 C ATOM 491 C TYR A 35 32.439 -23.859 -8.517 1.00 1.00 C ATOM 492 O TYR A 35 31.243 -23.684 -8.748 1.00 1.00 O ATOM 493 CB TYR A 35 34.035 -22.634 -7.039 1.00 1.00 C ATOM 494 CG TYR A 35 33.654 -21.642 -5.966 1.00 1.00 C ATOM 495 CD1 TYR A 35 33.831 -21.970 -4.616 1.00 1.00 C ATOM 496 CD2 TYR A 35 33.123 -20.397 -6.320 1.00 1.00 C ATOM 497 CE1 TYR A 35 33.476 -21.052 -3.621 1.00 1.00 C ATOM 498 CE2 TYR A 35 32.767 -19.479 -5.325 1.00 1.00 C ATOM 499 CZ TYR A 35 32.944 -19.806 -3.975 1.00 1.00 C ATOM 500 OH TYR A 35 32.595 -18.901 -2.995 1.00 1.00 O ATOM 0 H TYR A 35 34.570 -24.961 -6.448 1.00 1.00 H new ATOM 0 HA TYR A 35 32.167 -23.505 -6.421 1.00 1.00 H new ATOM 0 HB2 TYR A 35 35.017 -23.056 -6.827 1.00 1.00 H new ATOM 0 HB3 TYR A 35 34.105 -22.133 -8.005 1.00 1.00 H new ATOM 0 HD1 TYR A 35 34.241 -22.931 -4.343 1.00 1.00 H new ATOM 0 HD2 TYR A 35 32.988 -20.144 -7.361 1.00 1.00 H new ATOM 0 HE1 TYR A 35 33.612 -21.305 -2.580 1.00 1.00 H new ATOM 0 HE2 TYR A 35 32.356 -18.519 -5.599 1.00 1.00 H new ATOM 0 HH TYR A 35 32.243 -18.087 -3.412 1.00 1.00 H new ATOM 510 N MET A 36 33.324 -24.155 -9.465 1.00 1.00 N ATOM 511 CA MET A 36 32.918 -24.291 -10.858 1.00 1.00 C ATOM 512 C MET A 36 31.854 -25.374 -11.001 1.00 1.00 C ATOM 513 O MET A 36 30.767 -25.126 -11.522 1.00 1.00 O ATOM 514 CB MET A 36 34.130 -24.647 -11.723 1.00 1.00 C ATOM 515 CG MET A 36 34.745 -23.368 -12.292 1.00 1.00 C ATOM 516 SD MET A 36 34.899 -22.134 -10.977 1.00 1.00 S ATOM 517 CE MET A 36 33.936 -20.827 -11.778 1.00 1.00 C ATOM 0 H MET A 36 34.319 -24.304 -9.295 1.00 1.00 H new ATOM 0 HA MET A 36 32.501 -23.340 -11.191 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.869 -25.185 -11.129 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.829 -25.310 -12.534 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.724 -23.582 -12.720 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.122 -22.980 -13.098 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.900 -19.952 -11.129 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.405 -20.558 -12.724 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.923 -21.183 -11.964 1.00 1.00 H new ATOM 527 N LEU A 37 32.174 -26.576 -10.532 1.00 1.00 N ATOM 528 CA LEU A 37 31.237 -27.689 -10.611 1.00 1.00 C ATOM 529 C LEU A 37 29.853 -27.254 -10.141 1.00 1.00 C ATOM 530 O LEU A 37 28.836 -27.737 -10.641 1.00 1.00 O ATOM 531 CB LEU A 37 31.730 -28.849 -9.745 1.00 1.00 C ATOM 532 CG LEU A 37 30.945 -30.116 -10.092 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.712 -30.920 -11.143 1.00 1.00 C ATOM 534 CD2 LEU A 37 30.767 -30.966 -8.831 1.00 1.00 C ATOM 0 H LEU A 37 33.068 -26.802 -10.097 1.00 1.00 H new ATOM 0 HA LEU A 37 31.172 -28.014 -11.649 1.00 1.00 H new ATOM 0 HB2 LEU A 37 32.795 -29.012 -9.909 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.604 -28.608 -8.690 1.00 1.00 H new ATOM 0 HG LEU A 37 29.967 -29.841 -10.487 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.153 -31.822 -11.390 1.00 1.00 H new ATOM 0 HD12 LEU A 37 31.841 -30.316 -12.041 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.690 -31.196 -10.748 1.00 1.00 H new ATOM 0 HD21 LEU A 37 30.208 -31.869 -9.077 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.745 -31.241 -8.436 1.00 1.00 H new ATOM 0 HD23 LEU A 37 30.221 -30.394 -8.081 1.00 1.00 H new ATOM 546 N VAL A 38 29.822 -26.339 -9.179 1.00 1.00 N ATOM 547 CA VAL A 38 28.557 -25.844 -8.649 1.00 1.00 C ATOM 548 C VAL A 38 28.122 -24.583 -9.389 1.00 1.00 C ATOM 549 O VAL A 38 26.983 -24.133 -9.253 1.00 1.00 O ATOM 550 CB VAL A 38 28.700 -25.537 -7.158 1.00 1.00 C ATOM 551 CG1 VAL A 38 27.491 -24.729 -6.684 1.00 1.00 C ATOM 552 CG2 VAL A 38 28.775 -26.848 -6.373 1.00 1.00 C ATOM 0 H VAL A 38 30.652 -25.927 -8.753 1.00 1.00 H new ATOM 0 HA VAL A 38 27.800 -26.615 -8.791 1.00 1.00 H new ATOM 0 HB VAL A 38 29.610 -24.960 -6.992 1.00 1.00 H new ATOM 0 HG11 VAL A 38 27.593 -24.510 -5.621 1.00 1.00 H new ATOM 0 HG12 VAL A 38 27.436 -23.795 -7.243 1.00 1.00 H new ATOM 0 HG13 VAL A 38 26.581 -25.305 -6.850 1.00 1.00 H new ATOM 0 HG21 VAL A 38 28.877 -26.630 -5.310 1.00 1.00 H new ATOM 0 HG22 VAL A 38 27.865 -27.424 -6.540 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.637 -27.425 -6.709 1.00 1.00 H new ATOM 562 N PHE A 39 29.034 -24.018 -10.173 1.00 1.00 N ATOM 563 CA PHE A 39 28.733 -22.809 -10.931 1.00 1.00 C ATOM 564 C PHE A 39 28.002 -23.154 -12.224 1.00 1.00 C ATOM 565 O PHE A 39 26.927 -22.620 -12.503 1.00 1.00 O ATOM 566 CB PHE A 39 30.027 -22.062 -11.257 1.00 1.00 C ATOM 567 CG PHE A 39 29.709 -20.623 -11.586 1.00 1.00 C ATOM 568 CD1 PHE A 39 29.192 -20.290 -12.844 1.00 1.00 C ATOM 569 CD2 PHE A 39 29.931 -19.621 -10.633 1.00 1.00 C ATOM 570 CE1 PHE A 39 28.898 -18.955 -13.148 1.00 1.00 C ATOM 571 CE2 PHE A 39 29.636 -18.287 -10.938 1.00 1.00 C ATOM 572 CZ PHE A 39 29.120 -17.954 -12.196 1.00 1.00 C ATOM 0 H PHE A 39 29.981 -24.375 -10.300 1.00 1.00 H new ATOM 0 HA PHE A 39 28.090 -22.173 -10.323 1.00 1.00 H new ATOM 0 HB2 PHE A 39 30.710 -22.110 -10.409 1.00 1.00 H new ATOM 0 HB3 PHE A 39 30.531 -22.536 -12.099 1.00 1.00 H new ATOM 0 HD1 PHE A 39 29.020 -21.062 -13.579 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.330 -19.878 -9.663 1.00 1.00 H new ATOM 0 HE1 PHE A 39 28.499 -18.698 -14.118 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.807 -17.515 -10.203 1.00 1.00 H new ATOM 0 HZ PHE A 39 28.893 -16.925 -12.432 1.00 1.00 H new ATOM 582 N LEU A 40 28.590 -24.048 -13.012 1.00 1.00 N ATOM 583 CA LEU A 40 27.984 -24.455 -14.275 1.00 1.00 C ATOM 584 C LEU A 40 26.791 -25.375 -14.030 1.00 1.00 C ATOM 585 O LEU A 40 26.132 -25.812 -14.974 1.00 1.00 O ATOM 586 CB LEU A 40 29.016 -25.174 -15.150 1.00 1.00 C ATOM 587 CG LEU A 40 29.774 -26.210 -14.315 1.00 1.00 C ATOM 588 CD1 LEU A 40 29.750 -27.560 -15.034 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.226 -25.756 -14.137 1.00 1.00 C ATOM 0 H LEU A 40 29.479 -24.502 -12.801 1.00 1.00 H new ATOM 0 HA LEU A 40 27.637 -23.559 -14.789 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.518 -25.663 -15.988 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.715 -24.452 -15.572 1.00 1.00 H new ATOM 0 HG LEU A 40 29.299 -26.308 -13.339 1.00 1.00 H new ATOM 0 HD11 LEU A 40 30.289 -28.298 -14.440 1.00 1.00 H new ATOM 0 HD12 LEU A 40 28.718 -27.884 -15.165 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.226 -27.461 -16.010 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.767 -26.492 -13.543 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.699 -25.659 -15.114 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.246 -24.793 -13.627 1.00 1.00 H new ATOM 601 N LEU A 41 26.519 -25.662 -12.758 1.00 1.00 N ATOM 602 CA LEU A 41 25.401 -26.528 -12.395 1.00 1.00 C ATOM 603 C LEU A 41 24.491 -25.830 -11.389 1.00 1.00 C ATOM 604 O LEU A 41 23.444 -26.360 -11.015 1.00 1.00 O ATOM 605 CB LEU A 41 25.921 -27.834 -11.787 1.00 1.00 C ATOM 606 CG LEU A 41 26.806 -28.568 -12.800 1.00 1.00 C ATOM 607 CD1 LEU A 41 27.377 -29.834 -12.158 1.00 1.00 C ATOM 608 CD2 LEU A 41 25.980 -28.957 -14.031 1.00 1.00 C ATOM 0 H LEU A 41 27.055 -25.309 -11.966 1.00 1.00 H new ATOM 0 HA LEU A 41 24.832 -26.749 -13.298 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.489 -27.622 -10.881 1.00 1.00 H new ATOM 0 HB3 LEU A 41 25.084 -28.468 -11.497 1.00 1.00 H new ATOM 0 HG LEU A 41 27.619 -27.909 -13.104 1.00 1.00 H new ATOM 0 HD11 LEU A 41 28.006 -30.356 -12.879 1.00 1.00 H new ATOM 0 HD12 LEU A 41 27.972 -29.563 -11.286 1.00 1.00 H new ATOM 0 HD13 LEU A 41 26.560 -30.487 -11.851 1.00 1.00 H new ATOM 0 HD21 LEU A 41 26.616 -29.478 -14.746 1.00 1.00 H new ATOM 0 HD22 LEU A 41 25.162 -29.611 -13.729 1.00 1.00 H new ATOM 0 HD23 LEU A 41 25.573 -28.058 -14.495 1.00 1.00 H new ATOM 620 N GLY A 42 24.899 -24.640 -10.958 1.00 1.00 N ATOM 621 CA GLY A 42 24.116 -23.871 -9.994 1.00 1.00 C ATOM 622 C GLY A 42 23.870 -22.454 -10.499 1.00 1.00 C ATOM 623 O GLY A 42 23.338 -21.611 -9.776 1.00 1.00 O ATOM 0 H GLY A 42 25.763 -24.188 -11.259 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.163 -24.368 -9.815 1.00 1.00 H new ATOM 0 HA3 GLY A 42 24.641 -23.835 -9.039 1.00 1.00 H new ATOM 627 N THR A 43 24.263 -22.197 -11.742 1.00 1.00 N ATOM 628 CA THR A 43 24.080 -20.876 -12.331 1.00 1.00 C ATOM 629 C THR A 43 23.817 -20.987 -13.830 1.00 1.00 C ATOM 630 O THR A 43 23.851 -19.989 -14.550 1.00 1.00 O ATOM 631 CB THR A 43 25.325 -20.019 -12.091 1.00 1.00 C ATOM 632 OG1 THR A 43 25.909 -20.377 -10.847 1.00 1.00 O ATOM 633 CG2 THR A 43 24.933 -18.541 -12.067 1.00 1.00 C ATOM 0 H THR A 43 24.707 -22.880 -12.356 1.00 1.00 H new ATOM 0 HA THR A 43 23.218 -20.405 -11.857 1.00 1.00 H new ATOM 0 HB THR A 43 26.044 -20.187 -12.893 1.00 1.00 H new ATOM 0 HG1 THR A 43 26.370 -21.237 -10.938 1.00 1.00 H new ATOM 0 HG21 THR A 43 25.821 -17.932 -11.896 1.00 1.00 H new ATOM 0 HG22 THR A 43 24.484 -18.268 -13.022 1.00 1.00 H new ATOM 0 HG23 THR A 43 24.214 -18.368 -11.266 1.00 1.00 H new ATOM 641 N THR A 44 23.557 -22.209 -14.289 1.00 1.00 N ATOM 642 CA THR A 44 23.287 -22.450 -15.704 1.00 1.00 C ATOM 643 C THR A 44 21.919 -23.101 -15.882 1.00 1.00 C ATOM 644 O THR A 44 21.220 -22.838 -16.861 1.00 1.00 O ATOM 645 CB THR A 44 24.367 -23.360 -16.293 1.00 1.00 C ATOM 646 OG1 THR A 44 25.562 -22.614 -16.480 1.00 1.00 O ATOM 647 CG2 THR A 44 23.892 -23.915 -17.638 1.00 1.00 C ATOM 0 H THR A 44 23.528 -23.044 -13.704 1.00 1.00 H new ATOM 0 HA THR A 44 23.294 -21.493 -16.226 1.00 1.00 H new ATOM 0 HB THR A 44 24.558 -24.187 -15.610 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.255 -23.196 -16.856 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.662 -24.563 -18.057 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.976 -24.487 -17.492 1.00 1.00 H new ATOM 0 HG23 THR A 44 23.699 -23.090 -18.324 1.00 1.00 H new ATOM 655 N GLY A 45 21.545 -23.949 -14.929 1.00 1.00 N ATOM 656 CA GLY A 45 20.260 -24.635 -14.983 1.00 1.00 C ATOM 657 C GLY A 45 19.530 -24.521 -13.650 1.00 1.00 C ATOM 658 O GLY A 45 18.680 -25.350 -13.323 1.00 1.00 O ATOM 0 H GLY A 45 22.112 -24.177 -14.112 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.647 -24.207 -15.776 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.413 -25.685 -15.230 1.00 1.00 H new ATOM 662 N ASN A 46 19.869 -23.488 -12.884 1.00 1.00 N ATOM 663 CA ASN A 46 19.241 -23.272 -11.585 1.00 1.00 C ATOM 664 C ASN A 46 18.879 -21.801 -11.405 1.00 1.00 C ATOM 665 O ASN A 46 17.784 -21.472 -10.951 1.00 1.00 O ATOM 666 CB ASN A 46 20.192 -23.705 -10.468 1.00 1.00 C ATOM 667 CG ASN A 46 20.311 -25.225 -10.445 1.00 1.00 C ATOM 668 OD1 ASN A 46 21.097 -25.821 -11.298 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 19.670 -25.886 -9.628 1.00 1.00 N flip ATOM 0 H ASN A 46 20.570 -22.792 -13.138 1.00 1.00 H new ATOM 0 HA ASN A 46 18.330 -23.868 -11.538 1.00 1.00 H new ATOM 0 HB2 ASN A 46 21.174 -23.257 -10.621 1.00 1.00 H new ATOM 0 HB3 ASN A 46 19.824 -23.346 -9.507 1.00 1.00 H new ATOM 0 HD21 ASN A 46 19.056 -25.417 -8.962 1.00 1.00 H new ATOM 0 HD22 ASN A 46 19.753 -26.903 -9.617 1.00 1.00 H new ATOM 676 N GLY A 47 19.808 -20.920 -11.766 1.00 1.00 N ATOM 677 CA GLY A 47 19.576 -19.487 -11.640 1.00 1.00 C ATOM 678 C GLY A 47 18.617 -18.994 -12.718 1.00 1.00 C ATOM 679 O GLY A 47 17.729 -18.185 -12.450 1.00 1.00 O ATOM 0 H GLY A 47 20.721 -21.172 -12.145 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.166 -19.266 -10.654 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.523 -18.953 -11.718 1.00 1.00 H new ATOM 683 N LEU A 48 18.804 -19.486 -13.939 1.00 1.00 N ATOM 684 CA LEU A 48 17.948 -19.088 -15.049 1.00 1.00 C ATOM 685 C LEU A 48 16.492 -19.423 -14.746 1.00 1.00 C ATOM 686 O LEU A 48 15.611 -18.572 -14.870 1.00 1.00 O ATOM 687 CB LEU A 48 18.389 -19.809 -16.330 1.00 1.00 C ATOM 688 CG LEU A 48 17.592 -19.286 -17.533 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.904 -17.805 -17.771 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.978 -20.088 -18.778 1.00 1.00 C ATOM 0 H LEU A 48 19.534 -20.155 -14.183 1.00 1.00 H new ATOM 0 HA LEU A 48 18.038 -18.011 -15.190 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.455 -19.653 -16.495 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.237 -20.883 -16.223 1.00 1.00 H new ATOM 0 HG LEU A 48 16.527 -19.397 -17.331 1.00 1.00 H new ATOM 0 HD11 LEU A 48 17.333 -17.446 -18.627 1.00 1.00 H new ATOM 0 HD12 LEU A 48 17.633 -17.229 -16.886 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.969 -17.685 -17.970 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.415 -19.721 -19.636 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.045 -19.973 -18.968 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.749 -21.142 -18.618 1.00 1.00 H new ATOM 702 N VAL A 49 16.246 -20.666 -14.346 1.00 1.00 N ATOM 703 CA VAL A 49 14.891 -21.102 -14.027 1.00 1.00 C ATOM 704 C VAL A 49 14.302 -20.243 -12.911 1.00 1.00 C ATOM 705 O VAL A 49 13.376 -19.464 -13.137 1.00 1.00 O ATOM 706 CB VAL A 49 14.902 -22.568 -13.592 1.00 1.00 C ATOM 707 CG1 VAL A 49 13.596 -22.895 -12.866 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.035 -23.463 -14.826 1.00 1.00 C ATOM 0 H VAL A 49 16.961 -21.385 -14.235 1.00 1.00 H new ATOM 0 HA VAL A 49 14.275 -20.993 -14.919 1.00 1.00 H new ATOM 0 HB VAL A 49 15.744 -22.742 -12.922 1.00 1.00 H new ATOM 0 HG11 VAL A 49 13.604 -23.940 -12.556 1.00 1.00 H new ATOM 0 HG12 VAL A 49 13.498 -22.257 -11.988 1.00 1.00 H new ATOM 0 HG13 VAL A 49 12.754 -22.722 -13.536 1.00 1.00 H new ATOM 0 HG21 VAL A 49 15.043 -24.509 -14.518 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.192 -23.288 -15.495 1.00 1.00 H new ATOM 0 HG23 VAL A 49 15.965 -23.231 -15.345 1.00 1.00 H new ATOM 718 N LEU A 50 14.846 -20.391 -11.708 1.00 1.00 N ATOM 719 CA LEU A 50 14.366 -19.623 -10.564 1.00 1.00 C ATOM 720 C LEU A 50 14.155 -18.163 -10.951 1.00 1.00 C ATOM 721 O LEU A 50 13.294 -17.482 -10.394 1.00 1.00 O ATOM 722 CB LEU A 50 15.375 -19.708 -9.417 1.00 1.00 C ATOM 723 CG LEU A 50 15.195 -21.034 -8.676 1.00 1.00 C ATOM 724 CD1 LEU A 50 16.526 -21.454 -8.049 1.00 1.00 C ATOM 725 CD2 LEU A 50 14.146 -20.864 -7.575 1.00 1.00 C ATOM 0 H LEU A 50 15.613 -21.030 -11.500 1.00 1.00 H new ATOM 0 HA LEU A 50 13.414 -20.044 -10.241 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.391 -19.631 -9.806 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.232 -18.873 -8.731 1.00 1.00 H new ATOM 0 HG LEU A 50 14.866 -21.800 -9.378 1.00 1.00 H new ATOM 0 HD11 LEU A 50 16.397 -22.399 -7.521 1.00 1.00 H new ATOM 0 HD12 LEU A 50 17.275 -21.575 -8.832 1.00 1.00 H new ATOM 0 HD13 LEU A 50 16.855 -20.688 -7.347 1.00 1.00 H new ATOM 0 HD21 LEU A 50 14.017 -21.808 -7.046 1.00 1.00 H new ATOM 0 HD22 LEU A 50 14.476 -20.098 -6.874 1.00 1.00 H new ATOM 0 HD23 LEU A 50 13.197 -20.565 -8.020 1.00 1.00 H new ATOM 737 N TRP A 51 14.945 -17.691 -11.909 1.00 1.00 N ATOM 738 CA TRP A 51 14.836 -16.309 -12.364 1.00 1.00 C ATOM 739 C TRP A 51 13.669 -16.155 -13.334 1.00 1.00 C ATOM 740 O TRP A 51 12.885 -15.212 -13.233 1.00 1.00 O ATOM 741 CB TRP A 51 16.134 -15.881 -13.051 1.00 1.00 C ATOM 742 CG TRP A 51 15.946 -14.534 -13.671 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.173 -13.355 -13.048 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.497 -14.206 -15.018 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.893 -12.324 -13.926 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.474 -12.797 -15.154 1.00 1.00 C ATOM 747 CE3 TRP A 51 15.114 -14.985 -16.124 1.00 1.00 C ATOM 748 CZ2 TRP A 51 15.082 -12.185 -16.345 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.719 -14.372 -17.325 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.704 -12.974 -17.434 1.00 1.00 C ATOM 0 H TRP A 51 15.663 -18.240 -12.383 1.00 1.00 H new ATOM 0 HA TRP A 51 14.659 -15.673 -11.496 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.948 -15.850 -12.327 1.00 1.00 H new ATOM 0 HB3 TRP A 51 16.412 -16.609 -13.813 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.517 -13.238 -12.031 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.985 -11.335 -13.695 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.123 -16.062 -16.050 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.071 -11.108 -16.424 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.426 -14.980 -18.168 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.400 -12.508 -18.360 1.00 1.00 H new ATOM 761 N THR A 52 13.563 -17.088 -14.274 1.00 1.00 N ATOM 762 CA THR A 52 12.488 -17.046 -15.259 1.00 1.00 C ATOM 763 C THR A 52 11.137 -17.266 -14.585 1.00 1.00 C ATOM 764 O THR A 52 10.174 -16.548 -14.854 1.00 1.00 O ATOM 765 CB THR A 52 12.711 -18.123 -16.323 1.00 1.00 C ATOM 766 OG1 THR A 52 13.916 -17.849 -17.025 1.00 1.00 O ATOM 767 CG2 THR A 52 11.537 -18.127 -17.302 1.00 1.00 C ATOM 0 H THR A 52 14.202 -17.876 -14.375 1.00 1.00 H new ATOM 0 HA THR A 52 12.491 -16.064 -15.731 1.00 1.00 H new ATOM 0 HB THR A 52 12.783 -19.099 -15.844 1.00 1.00 H new ATOM 0 HG1 THR A 52 14.683 -18.036 -16.444 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.697 -18.895 -18.059 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.614 -18.337 -16.762 1.00 1.00 H new ATOM 0 HG23 THR A 52 11.462 -17.152 -17.784 1.00 1.00 H new ATOM 775 N VAL A 53 11.074 -18.264 -13.711 1.00 1.00 N ATOM 776 CA VAL A 53 9.835 -18.570 -13.005 1.00 1.00 C ATOM 777 C VAL A 53 9.363 -17.361 -12.205 1.00 1.00 C ATOM 778 O VAL A 53 8.187 -17.001 -12.242 1.00 1.00 O ATOM 779 CB VAL A 53 10.049 -19.756 -12.064 1.00 1.00 C ATOM 780 CG1 VAL A 53 8.958 -19.761 -10.991 1.00 1.00 C ATOM 781 CG2 VAL A 53 9.983 -21.059 -12.862 1.00 1.00 C ATOM 0 H VAL A 53 11.859 -18.871 -13.475 1.00 1.00 H new ATOM 0 HA VAL A 53 9.072 -18.825 -13.741 1.00 1.00 H new ATOM 0 HB VAL A 53 11.026 -19.669 -11.589 1.00 1.00 H new ATOM 0 HG11 VAL A 53 9.111 -20.607 -10.320 1.00 1.00 H new ATOM 0 HG12 VAL A 53 9.004 -18.833 -10.421 1.00 1.00 H new ATOM 0 HG13 VAL A 53 7.981 -19.847 -11.466 1.00 1.00 H new ATOM 0 HG21 VAL A 53 10.136 -21.905 -12.191 1.00 1.00 H new ATOM 0 HG22 VAL A 53 9.006 -21.145 -13.338 1.00 1.00 H new ATOM 0 HG23 VAL A 53 10.760 -21.057 -13.626 1.00 1.00 H new ATOM 791 N PHE A 54 10.288 -16.736 -11.483 1.00 1.00 N ATOM 792 CA PHE A 54 9.951 -15.568 -10.679 1.00 1.00 C ATOM 793 C PHE A 54 9.289 -14.498 -11.542 1.00 1.00 C ATOM 794 O PHE A 54 8.627 -13.596 -11.030 1.00 1.00 O ATOM 795 CB PHE A 54 11.214 -14.996 -10.035 1.00 1.00 C ATOM 796 CG PHE A 54 11.206 -15.297 -8.555 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.383 -16.612 -8.108 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.021 -14.263 -7.629 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.374 -16.893 -6.736 1.00 1.00 C ATOM 800 CE2 PHE A 54 11.013 -14.544 -6.257 1.00 1.00 C ATOM 801 CZ PHE A 54 11.190 -15.859 -5.812 1.00 1.00 C ATOM 0 H PHE A 54 11.268 -17.016 -11.438 1.00 1.00 H new ATOM 0 HA PHE A 54 9.253 -15.875 -9.900 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.100 -15.429 -10.500 1.00 1.00 H new ATOM 0 HB3 PHE A 54 11.262 -13.919 -10.198 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.527 -17.410 -8.821 1.00 1.00 H new ATOM 0 HD2 PHE A 54 10.884 -13.248 -7.973 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.509 -17.908 -6.391 1.00 1.00 H new ATOM 0 HE2 PHE A 54 10.870 -13.746 -5.543 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.185 -16.076 -4.754 1.00 1.00 H new ATOM 811 N ARG A 55 9.473 -14.607 -12.854 1.00 1.00 N ATOM 812 CA ARG A 55 8.891 -13.643 -13.780 1.00 1.00 C ATOM 813 C ARG A 55 7.571 -14.163 -14.340 1.00 1.00 C ATOM 814 O ARG A 55 6.831 -13.427 -14.992 1.00 1.00 O ATOM 815 CB ARG A 55 9.864 -13.372 -14.930 1.00 1.00 C ATOM 816 CG ARG A 55 10.698 -12.129 -14.612 1.00 1.00 C ATOM 817 CD ARG A 55 11.975 -12.142 -15.453 1.00 1.00 C ATOM 818 NE ARG A 55 11.777 -12.935 -16.661 1.00 1.00 N ATOM 819 CZ ARG A 55 11.220 -12.407 -17.746 1.00 1.00 C ATOM 820 NH1 ARG A 55 10.840 -11.158 -17.743 1.00 1.00 N ATOM 821 NH2 ARG A 55 11.053 -13.138 -18.814 1.00 1.00 N ATOM 0 H ARG A 55 10.017 -15.348 -13.297 1.00 1.00 H new ATOM 0 HA ARG A 55 8.701 -12.717 -13.237 1.00 1.00 H new ATOM 0 HB2 ARG A 55 10.517 -14.232 -15.078 1.00 1.00 H new ATOM 0 HB3 ARG A 55 9.313 -13.225 -15.859 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.121 -11.228 -14.821 1.00 1.00 H new ATOM 0 HG3 ARG A 55 10.949 -12.108 -13.551 1.00 1.00 H new ATOM 0 HD2 ARG A 55 12.253 -11.123 -15.720 1.00 1.00 H new ATOM 0 HD3 ARG A 55 12.798 -12.554 -14.870 1.00 1.00 H new ATOM 0 HE ARG A 55 12.071 -13.912 -16.673 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.971 -10.587 -16.908 1.00 1.00 H new ATOM 0 HH12 ARG A 55 10.413 -10.753 -18.576 1.00 1.00 H new ATOM 0 HH21 ARG A 55 11.350 -14.114 -18.816 1.00 1.00 H new ATOM 0 HH22 ARG A 55 10.626 -12.734 -19.647 1.00 1.00 H new ATOM 835 N LYS A 56 7.283 -15.436 -14.078 1.00 1.00 N ATOM 836 CA LYS A 56 6.048 -16.047 -14.557 1.00 1.00 C ATOM 837 C LYS A 56 5.065 -16.228 -13.404 1.00 1.00 C ATOM 838 O LYS A 56 3.850 -16.215 -13.603 1.00 1.00 O ATOM 839 CB LYS A 56 6.358 -17.398 -15.224 1.00 1.00 C ATOM 840 CG LYS A 56 6.100 -18.561 -14.247 1.00 1.00 C ATOM 841 CD LYS A 56 6.680 -19.868 -14.810 1.00 1.00 C ATOM 842 CE LYS A 56 5.670 -20.512 -15.763 1.00 1.00 C ATOM 843 NZ LYS A 56 4.826 -21.482 -15.010 1.00 1.00 N ATOM 0 H LYS A 56 7.884 -16.060 -13.540 1.00 1.00 H new ATOM 0 HA LYS A 56 5.589 -15.390 -15.296 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.740 -17.520 -16.113 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.397 -17.417 -15.553 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.553 -18.341 -13.280 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.029 -18.673 -14.079 1.00 1.00 H new ATOM 0 HD2 LYS A 56 7.613 -19.666 -15.336 1.00 1.00 H new ATOM 0 HD3 LYS A 56 6.915 -20.554 -13.996 1.00 1.00 H new ATOM 0 HE2 LYS A 56 5.043 -19.745 -16.218 1.00 1.00 H new ATOM 0 HE3 LYS A 56 6.192 -21.020 -16.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 4.139 -21.920 -15.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 5.431 -22.220 -14.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 4.318 -20.984 -14.251 1.00 1.00 H new ATOM 857 N LYS A 57 5.600 -16.394 -12.200 1.00 1.00 N ATOM 858 CA LYS A 57 4.762 -16.572 -11.020 1.00 1.00 C ATOM 859 C LYS A 57 4.433 -15.222 -10.392 1.00 1.00 C ATOM 860 O LYS A 57 3.441 -15.084 -9.676 1.00 1.00 O ATOM 861 CB LYS A 57 5.481 -17.454 -9.997 1.00 1.00 C ATOM 862 CG LYS A 57 6.708 -16.718 -9.455 1.00 1.00 C ATOM 863 CD LYS A 57 6.418 -16.214 -8.039 1.00 1.00 C ATOM 864 CE LYS A 57 7.637 -15.459 -7.507 1.00 1.00 C ATOM 865 NZ LYS A 57 7.400 -15.070 -6.088 1.00 1.00 N ATOM 0 H LYS A 57 6.603 -16.409 -12.015 1.00 1.00 H new ATOM 0 HA LYS A 57 3.833 -17.055 -11.324 1.00 1.00 H new ATOM 0 HB2 LYS A 57 4.805 -17.705 -9.180 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.783 -18.393 -10.461 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.570 -17.385 -9.445 1.00 1.00 H new ATOM 0 HG3 LYS A 57 6.960 -15.881 -10.106 1.00 1.00 H new ATOM 0 HD2 LYS A 57 5.546 -15.560 -8.046 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.182 -17.053 -7.384 1.00 1.00 H new ATOM 0 HE2 LYS A 57 8.526 -16.085 -7.580 1.00 1.00 H new ATOM 0 HE3 LYS A 57 7.821 -14.572 -8.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 8.229 -14.557 -5.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 6.561 -14.458 -6.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 7.244 -15.924 -5.515 1.00 1.00 H new ATOM 879 N GLY A 58 5.275 -14.230 -10.666 1.00 1.00 N ATOM 880 CA GLY A 58 5.067 -12.893 -10.123 1.00 1.00 C ATOM 881 C GLY A 58 3.976 -12.158 -10.894 1.00 1.00 C ATOM 882 O GLY A 58 3.293 -11.291 -10.349 1.00 1.00 O ATOM 0 H GLY A 58 6.101 -14.326 -11.256 1.00 1.00 H new ATOM 0 HA2 GLY A 58 4.791 -12.962 -9.071 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.997 -12.327 -10.172 1.00 1.00 H new ATOM 886 N HIS A 59 3.821 -12.510 -12.166 1.00 1.00 N ATOM 887 CA HIS A 59 2.810 -11.878 -13.004 1.00 1.00 C ATOM 888 C HIS A 59 1.428 -12.011 -12.373 1.00 1.00 C ATOM 889 O HIS A 59 0.547 -11.184 -12.605 1.00 1.00 O ATOM 890 CB HIS A 59 2.805 -12.522 -14.391 1.00 1.00 C ATOM 891 CG HIS A 59 2.894 -11.450 -15.442 1.00 1.00 C ATOM 892 ND1 HIS A 59 1.853 -10.570 -15.690 1.00 1.00 N ATOM 893 CD2 HIS A 59 3.894 -11.102 -16.316 1.00 1.00 C ATOM 894 CE1 HIS A 59 2.246 -9.742 -16.677 1.00 1.00 C ATOM 895 NE2 HIS A 59 3.484 -10.024 -17.094 1.00 1.00 N ATOM 0 H HIS A 59 4.378 -13.224 -12.636 1.00 1.00 H new ATOM 0 HA HIS A 59 3.052 -10.819 -13.096 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.644 -13.211 -14.487 1.00 1.00 H new ATOM 0 HB3 HIS A 59 1.896 -13.107 -14.529 1.00 1.00 H new ATOM 0 HD2 HIS A 59 4.854 -11.591 -16.389 1.00 1.00 H new ATOM 0 HE1 HIS A 59 1.636 -8.948 -17.082 1.00 1.00 H new ATOM 0 HE2 HIS A 59 4.014 -9.551 -17.825 1.00 1.00 H new ATOM 903 N HIS A 60 1.247 -13.058 -11.574 1.00 1.00 N ATOM 904 CA HIS A 60 -0.033 -13.290 -10.914 1.00 1.00 C ATOM 905 C HIS A 60 0.031 -12.859 -9.452 1.00 1.00 C ATOM 906 O HIS A 60 -0.581 -11.864 -9.063 1.00 1.00 O ATOM 907 CB HIS A 60 -0.399 -14.773 -10.993 1.00 1.00 C ATOM 908 CG HIS A 60 -0.402 -15.214 -12.431 1.00 1.00 C ATOM 909 ND1 HIS A 60 0.721 -15.745 -13.044 1.00 1.00 N ATOM 910 CD2 HIS A 60 -1.386 -15.211 -13.389 1.00 1.00 C ATOM 911 CE1 HIS A 60 0.390 -16.037 -14.316 1.00 1.00 C ATOM 912 NE2 HIS A 60 -0.883 -15.732 -14.578 1.00 1.00 N ATOM 0 H HIS A 60 1.964 -13.754 -11.369 1.00 1.00 H new ATOM 0 HA HIS A 60 -0.795 -12.699 -11.423 1.00 1.00 H new ATOM 0 HB2 HIS A 60 0.315 -15.366 -10.421 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -1.380 -14.940 -10.548 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -2.396 -14.858 -13.242 1.00 1.00 H new ATOM 0 HE1 HIS A 60 1.071 -16.466 -15.036 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -1.380 -15.854 -15.460 1.00 1.00 H new ATOM 920 N HIS A 61 0.778 -13.610 -8.652 1.00 1.00 N ATOM 921 CA HIS A 61 0.924 -13.300 -7.237 1.00 1.00 C ATOM 922 C HIS A 61 -0.303 -13.751 -6.444 1.00 1.00 C ATOM 923 O HIS A 61 -0.898 -14.789 -6.737 1.00 1.00 O ATOM 924 CB HIS A 61 1.141 -11.800 -7.067 1.00 1.00 C ATOM 925 CG HIS A 61 2.025 -11.552 -5.876 1.00 1.00 C ATOM 926 ND1 HIS A 61 1.560 -11.661 -4.575 1.00 1.00 N ATOM 927 CD2 HIS A 61 3.349 -11.201 -5.773 1.00 1.00 C ATOM 928 CE1 HIS A 61 2.587 -11.382 -3.752 1.00 1.00 C ATOM 929 NE2 HIS A 61 3.701 -11.094 -4.430 1.00 1.00 N ATOM 0 H HIS A 61 1.291 -14.436 -8.959 1.00 1.00 H new ATOM 0 HA HIS A 61 1.788 -13.840 -6.849 1.00 1.00 H new ATOM 0 HB2 HIS A 61 1.598 -11.384 -7.965 1.00 1.00 H new ATOM 0 HB3 HIS A 61 0.184 -11.296 -6.934 1.00 1.00 H new ATOM 0 HD2 HIS A 61 4.015 -11.034 -6.606 1.00 1.00 H new ATOM 0 HE1 HIS A 61 2.519 -11.390 -2.674 1.00 1.00 H new ATOM 0 HE2 HIS A 61 4.614 -10.848 -4.046 1.00 1.00 H new ATOM 937 N HIS A 62 -0.664 -12.971 -5.430 1.00 1.00 N ATOM 938 CA HIS A 62 -1.810 -13.300 -4.585 1.00 1.00 C ATOM 939 C HIS A 62 -3.102 -13.362 -5.396 1.00 1.00 C ATOM 940 O HIS A 62 -3.388 -14.366 -6.049 1.00 1.00 O ATOM 941 CB HIS A 62 -1.953 -12.257 -3.473 1.00 1.00 C ATOM 942 CG HIS A 62 -1.787 -10.876 -4.048 1.00 1.00 C ATOM 943 ND1 HIS A 62 -0.604 -10.455 -4.635 1.00 1.00 N ATOM 944 CD2 HIS A 62 -2.646 -9.808 -4.131 1.00 1.00 C ATOM 945 CE1 HIS A 62 -0.782 -9.185 -5.041 1.00 1.00 C ATOM 946 NE2 HIS A 62 -2.009 -8.742 -4.758 1.00 1.00 N ATOM 0 H HIS A 62 -0.182 -12.109 -5.173 1.00 1.00 H new ATOM 0 HA HIS A 62 -1.633 -14.284 -4.150 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -2.930 -12.349 -2.999 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -1.205 -12.431 -2.699 1.00 1.00 H new ATOM 0 HD1 HIS A 62 0.247 -11.008 -4.740 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -3.662 -9.797 -3.765 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -0.024 -8.595 -5.536 1.00 1.00 H new ATOM 954 N HIS A 63 -3.882 -12.286 -5.344 1.00 1.00 N ATOM 955 CA HIS A 63 -5.145 -12.229 -6.070 1.00 1.00 C ATOM 956 C HIS A 63 -4.889 -12.073 -7.561 1.00 1.00 C ATOM 957 O HIS A 63 -5.582 -11.324 -8.249 1.00 1.00 O ATOM 958 CB HIS A 63 -5.985 -11.053 -5.568 1.00 1.00 C ATOM 959 CG HIS A 63 -7.370 -11.143 -6.149 1.00 1.00 C ATOM 960 ND1 HIS A 63 -8.296 -12.077 -5.710 1.00 1.00 N ATOM 961 CD2 HIS A 63 -8.000 -10.426 -7.134 1.00 1.00 C ATOM 962 CE1 HIS A 63 -9.422 -11.899 -6.423 1.00 1.00 C ATOM 963 NE2 HIS A 63 -9.296 -10.905 -7.307 1.00 1.00 N ATOM 0 H HIS A 63 -3.662 -11.446 -4.809 1.00 1.00 H new ATOM 0 HA HIS A 63 -5.687 -13.159 -5.898 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -6.034 -11.066 -4.479 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -5.519 -10.110 -5.855 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -7.558 -9.613 -7.691 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -10.319 -12.488 -6.297 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -9.998 -10.569 -7.967 1.00 1.00 H new ATOM 971 N HIS A 64 -3.886 -12.787 -8.050 1.00 1.00 N ATOM 972 CA HIS A 64 -3.534 -12.726 -9.458 1.00 1.00 C ATOM 973 C HIS A 64 -3.566 -11.286 -9.959 1.00 1.00 C ATOM 974 O HIS A 64 -3.537 -10.391 -9.130 1.00 1.00 O ATOM 975 CB HIS A 64 -4.504 -13.578 -10.278 1.00 1.00 C ATOM 976 CG HIS A 64 -5.804 -12.842 -10.439 1.00 1.00 C ATOM 977 ND1 HIS A 64 -5.974 -11.838 -11.379 1.00 1.00 N ATOM 978 CD2 HIS A 64 -7.006 -12.948 -9.784 1.00 1.00 C ATOM 979 CE1 HIS A 64 -7.236 -11.383 -11.266 1.00 1.00 C ATOM 980 NE2 HIS A 64 -7.908 -12.026 -10.308 1.00 1.00 N ATOM 981 OXT HIS A 64 -3.620 -11.099 -11.163 1.00 1.00 O ATOM 0 H HIS A 64 -3.304 -13.413 -7.494 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.523 -13.115 -9.576 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -4.075 -13.798 -11.256 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -4.674 -14.534 -9.782 1.00 1.00 H new ATOM 0 HD1 HIS A 64 -5.270 -11.504 -12.037 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -7.219 -13.641 -8.984 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -7.653 -10.595 -11.875 1.00 1.00 H new TER 989 HIS A 64