USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=22 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 44 THR OG1 : rot -53:sc= 0.699 USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -2.34! C(o=-2.8!,f=-1.6!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.714) USER MOD Set 2.2: A 26 SER OG : rot 180:sc= -0.34! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.703 (180deg=0.43!) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.43 F(o=-0.69,f=0.43) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.29! C(o=-1.9!,f=-1.3!) USER MOD Single : A 16 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0676 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -62:sc= 1.14 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.778! USER MOD Single : A 52 THR OG1 : rot -29:sc=-0.00827 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= -0.964 (180deg=-2.78!) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.7 F(o=-2.3!,f=-1.7) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -3.48! C(o=-5!,f=-3.5!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -2.83 F(o=-4.1!,f=-2.8) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.99! C(o=-3.1!,f=-2!) USER MOD Single : A 63 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.034) USER MOD Single : A 64 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.858 11.067 -15.899 1.00 1.00 N ATOM 2 CA MET A 1 42.507 10.535 -14.668 1.00 1.00 C ATOM 3 C MET A 1 43.075 11.694 -13.855 1.00 1.00 C ATOM 4 O MET A 1 43.040 12.846 -14.290 1.00 1.00 O ATOM 5 CB MET A 1 43.630 9.572 -15.061 1.00 1.00 C ATOM 6 CG MET A 1 44.190 9.972 -16.427 1.00 1.00 C ATOM 7 SD MET A 1 44.554 11.745 -16.435 1.00 1.00 S ATOM 8 CE MET A 1 46.327 11.614 -16.095 1.00 1.00 C ATOM 0 H1 MET A 1 41.590 10.277 -16.520 1.00 1.00 H new ATOM 0 H2 MET A 1 41.007 11.606 -15.638 1.00 1.00 H new ATOM 0 H3 MET A 1 42.523 11.691 -16.400 1.00 1.00 H new ATOM 0 HA MET A 1 41.773 10.001 -14.065 1.00 1.00 H new ATOM 0 HB2 MET A 1 44.421 9.594 -14.311 1.00 1.00 H new ATOM 0 HB3 MET A 1 43.252 8.550 -15.096 1.00 1.00 H new ATOM 0 HG2 MET A 1 45.095 9.403 -16.642 1.00 1.00 H new ATOM 0 HG3 MET A 1 43.471 9.734 -17.211 1.00 1.00 H new ATOM 0 HE1 MET A 1 46.765 12.612 -16.056 1.00 1.00 H new ATOM 0 HE2 MET A 1 46.478 11.113 -15.139 1.00 1.00 H new ATOM 0 HE3 MET A 1 46.808 11.038 -16.886 1.00 1.00 H new ATOM 20 N GLU A 2 43.599 11.382 -12.674 1.00 1.00 N ATOM 21 CA GLU A 2 44.172 12.405 -11.808 1.00 1.00 C ATOM 22 C GLU A 2 45.470 11.910 -11.181 1.00 1.00 C ATOM 23 O GLU A 2 46.032 12.560 -10.298 1.00 1.00 O ATOM 24 CB GLU A 2 43.178 12.774 -10.707 1.00 1.00 C ATOM 25 CG GLU A 2 42.731 11.507 -9.976 1.00 1.00 C ATOM 26 CD GLU A 2 41.227 11.312 -10.139 1.00 1.00 C ATOM 27 OE1 GLU A 2 40.785 11.199 -11.271 1.00 1.00 O ATOM 28 OE2 GLU A 2 40.541 11.278 -9.132 1.00 1.00 O ATOM 0 H GLU A 2 43.639 10.435 -12.297 1.00 1.00 H new ATOM 0 HA GLU A 2 44.387 13.287 -12.412 1.00 1.00 H new ATOM 0 HB2 GLU A 2 43.639 13.468 -10.004 1.00 1.00 H new ATOM 0 HB3 GLU A 2 42.315 13.282 -11.137 1.00 1.00 H new ATOM 0 HG2 GLU A 2 43.263 10.642 -10.372 1.00 1.00 H new ATOM 0 HG3 GLU A 2 42.984 11.579 -8.918 1.00 1.00 H new ATOM 35 N GLU A 3 45.942 10.757 -11.641 1.00 1.00 N ATOM 36 CA GLU A 3 47.176 10.183 -11.117 1.00 1.00 C ATOM 37 C GLU A 3 48.001 9.565 -12.241 1.00 1.00 C ATOM 38 O GLU A 3 48.234 8.356 -12.261 1.00 1.00 O ATOM 39 CB GLU A 3 46.853 9.113 -10.071 1.00 1.00 C ATOM 40 CG GLU A 3 48.115 8.780 -9.273 1.00 1.00 C ATOM 41 CD GLU A 3 47.929 7.462 -8.530 1.00 1.00 C ATOM 42 OE1 GLU A 3 47.722 6.457 -9.189 1.00 1.00 O ATOM 43 OE2 GLU A 3 47.995 7.477 -7.312 1.00 1.00 O ATOM 0 H GLU A 3 45.493 10.204 -12.371 1.00 1.00 H new ATOM 0 HA GLU A 3 47.756 10.981 -10.653 1.00 1.00 H new ATOM 0 HB2 GLU A 3 46.070 9.469 -9.401 1.00 1.00 H new ATOM 0 HB3 GLU A 3 46.472 8.216 -10.559 1.00 1.00 H new ATOM 0 HG2 GLU A 3 48.972 8.711 -9.943 1.00 1.00 H new ATOM 0 HG3 GLU A 3 48.329 9.580 -8.564 1.00 1.00 H new ATOM 50 N GLY A 4 48.440 10.403 -13.175 1.00 1.00 N ATOM 51 CA GLY A 4 49.238 9.927 -14.299 1.00 1.00 C ATOM 52 C GLY A 4 50.602 9.434 -13.829 1.00 1.00 C ATOM 53 O GLY A 4 51.387 8.908 -14.617 1.00 1.00 O ATOM 0 H GLY A 4 48.259 11.407 -13.176 1.00 1.00 H new ATOM 0 HA2 GLY A 4 48.711 9.120 -14.808 1.00 1.00 H new ATOM 0 HA3 GLY A 4 49.368 10.730 -15.024 1.00 1.00 H new ATOM 57 N GLY A 5 50.876 9.609 -12.541 1.00 1.00 N ATOM 58 CA GLY A 5 52.149 9.177 -11.976 1.00 1.00 C ATOM 59 C GLY A 5 52.241 9.541 -10.499 1.00 1.00 C ATOM 60 O GLY A 5 51.466 10.357 -10.001 1.00 1.00 O ATOM 0 H GLY A 5 50.239 10.043 -11.873 1.00 1.00 H new ATOM 0 HA2 GLY A 5 52.258 8.099 -12.096 1.00 1.00 H new ATOM 0 HA3 GLY A 5 52.970 9.643 -12.521 1.00 1.00 H new ATOM 64 N ASP A 6 53.195 8.931 -9.802 1.00 1.00 N ATOM 65 CA ASP A 6 53.379 9.200 -8.380 1.00 1.00 C ATOM 66 C ASP A 6 54.551 10.152 -8.162 1.00 1.00 C ATOM 67 O ASP A 6 54.359 11.345 -7.927 1.00 1.00 O ATOM 68 CB ASP A 6 53.636 7.892 -7.631 1.00 1.00 C ATOM 69 CG ASP A 6 52.327 7.348 -7.069 1.00 1.00 C ATOM 70 OD1 ASP A 6 51.636 8.097 -6.398 1.00 1.00 O ATOM 71 OD2 ASP A 6 52.034 6.190 -7.316 1.00 1.00 O ATOM 0 H ASP A 6 53.848 8.253 -10.195 1.00 1.00 H new ATOM 0 HA ASP A 6 52.471 9.666 -7.997 1.00 1.00 H new ATOM 0 HB2 ASP A 6 54.085 7.161 -8.303 1.00 1.00 H new ATOM 0 HB3 ASP A 6 54.347 8.060 -6.822 1.00 1.00 H new ATOM 76 N PHE A 7 55.765 9.617 -8.242 1.00 1.00 N ATOM 77 CA PHE A 7 56.961 10.429 -8.051 1.00 1.00 C ATOM 78 C PHE A 7 56.929 11.119 -6.691 1.00 1.00 C ATOM 79 O PHE A 7 57.258 12.299 -6.576 1.00 1.00 O ATOM 80 CB PHE A 7 57.060 11.480 -9.157 1.00 1.00 C ATOM 81 CG PHE A 7 58.502 11.890 -9.335 1.00 1.00 C ATOM 82 CD1 PHE A 7 59.380 11.068 -10.052 1.00 1.00 C ATOM 83 CD2 PHE A 7 58.961 13.093 -8.785 1.00 1.00 C ATOM 84 CE1 PHE A 7 60.718 11.448 -10.217 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.299 13.473 -8.950 1.00 1.00 C ATOM 86 CZ PHE A 7 61.177 12.650 -9.666 1.00 1.00 C ATOM 0 H PHE A 7 55.946 8.632 -8.436 1.00 1.00 H new ATOM 0 HA PHE A 7 57.832 9.775 -8.093 1.00 1.00 H new ATOM 0 HB2 PHE A 7 56.667 11.078 -10.091 1.00 1.00 H new ATOM 0 HB3 PHE A 7 56.453 12.349 -8.903 1.00 1.00 H new ATOM 0 HD1 PHE A 7 59.026 10.141 -10.478 1.00 1.00 H new ATOM 0 HD2 PHE A 7 58.283 13.728 -8.234 1.00 1.00 H new ATOM 0 HE1 PHE A 7 61.395 10.814 -10.769 1.00 1.00 H new ATOM 0 HE2 PHE A 7 60.653 14.401 -8.525 1.00 1.00 H new ATOM 0 HZ PHE A 7 62.209 12.943 -9.793 1.00 1.00 H new ATOM 96 N ASP A 8 56.531 10.374 -5.665 1.00 1.00 N ATOM 97 CA ASP A 8 56.460 10.925 -4.316 1.00 1.00 C ATOM 98 C ASP A 8 56.524 9.810 -3.278 1.00 1.00 C ATOM 99 O ASP A 8 55.670 9.720 -2.396 1.00 1.00 O ATOM 100 CB ASP A 8 55.160 11.713 -4.141 1.00 1.00 C ATOM 101 CG ASP A 8 55.272 13.064 -4.837 1.00 1.00 C ATOM 102 OD1 ASP A 8 56.027 13.894 -4.359 1.00 1.00 O ATOM 103 OD2 ASP A 8 54.598 13.251 -5.837 1.00 1.00 O ATOM 0 H ASP A 8 56.255 9.395 -5.740 1.00 1.00 H new ATOM 0 HA ASP A 8 57.311 11.591 -4.171 1.00 1.00 H new ATOM 0 HB2 ASP A 8 54.325 11.149 -4.556 1.00 1.00 H new ATOM 0 HB3 ASP A 8 54.952 11.857 -3.081 1.00 1.00 H new ATOM 108 N ASN A 9 57.542 8.962 -3.388 1.00 1.00 N ATOM 109 CA ASN A 9 57.705 7.855 -2.453 1.00 1.00 C ATOM 110 C ASN A 9 59.174 7.687 -2.072 1.00 1.00 C ATOM 111 O ASN A 9 59.494 7.084 -1.047 1.00 1.00 O ATOM 112 CB ASN A 9 57.188 6.560 -3.080 1.00 1.00 C ATOM 113 CG ASN A 9 56.883 5.539 -1.989 1.00 1.00 C ATOM 114 OD1 ASN A 9 55.665 5.428 -1.534 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 57.778 4.824 -1.538 1.00 1.00 N flip ATOM 0 H ASN A 9 58.261 9.019 -4.109 1.00 1.00 H new ATOM 0 HA ASN A 9 57.131 8.077 -1.554 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.289 6.762 -3.663 1.00 1.00 H new ATOM 0 HB3 ASN A 9 57.931 6.158 -3.769 1.00 1.00 H new ATOM 0 HD21 ASN A 9 58.730 4.912 -1.895 1.00 1.00 H new ATOM 0 HD22 ASN A 9 57.568 4.144 -0.808 1.00 1.00 H new ATOM 122 N TYR A 10 60.062 8.223 -2.903 1.00 1.00 N ATOM 123 CA TYR A 10 61.493 8.125 -2.642 1.00 1.00 C ATOM 124 C TYR A 10 62.237 9.292 -3.283 1.00 1.00 C ATOM 125 O TYR A 10 63.460 9.389 -3.179 1.00 1.00 O ATOM 126 CB TYR A 10 62.036 6.806 -3.195 1.00 1.00 C ATOM 127 CG TYR A 10 63.206 6.352 -2.358 1.00 1.00 C ATOM 128 CD1 TYR A 10 62.987 5.783 -1.098 1.00 1.00 C ATOM 129 CD2 TYR A 10 64.512 6.501 -2.842 1.00 1.00 C ATOM 130 CE1 TYR A 10 64.074 5.362 -0.322 1.00 1.00 C ATOM 131 CE2 TYR A 10 65.598 6.079 -2.066 1.00 1.00 C ATOM 132 CZ TYR A 10 65.379 5.510 -0.805 1.00 1.00 C ATOM 133 OH TYR A 10 66.450 5.095 -0.040 1.00 1.00 O ATOM 0 H TYR A 10 59.818 8.726 -3.756 1.00 1.00 H new ATOM 0 HA TYR A 10 61.649 8.158 -1.564 1.00 1.00 H new ATOM 0 HB2 TYR A 10 61.254 6.047 -3.187 1.00 1.00 H new ATOM 0 HB3 TYR A 10 62.346 6.934 -4.232 1.00 1.00 H new ATOM 0 HD1 TYR A 10 61.980 5.669 -0.724 1.00 1.00 H new ATOM 0 HD2 TYR A 10 64.681 6.941 -3.814 1.00 1.00 H new ATOM 0 HE1 TYR A 10 63.905 4.923 0.650 1.00 1.00 H new ATOM 0 HE2 TYR A 10 66.605 6.192 -2.440 1.00 1.00 H new ATOM 0 HH TYR A 10 67.284 5.269 -0.524 1.00 1.00 H new ATOM 143 N TYR A 11 61.489 10.175 -3.941 1.00 1.00 N ATOM 144 CA TYR A 11 62.081 11.338 -4.598 1.00 1.00 C ATOM 145 C TYR A 11 63.412 10.973 -5.249 1.00 1.00 C ATOM 146 O TYR A 11 64.375 11.738 -5.192 1.00 1.00 O ATOM 147 CB TYR A 11 62.300 12.463 -3.585 1.00 1.00 C ATOM 148 CG TYR A 11 62.925 11.904 -2.329 1.00 1.00 C ATOM 149 CD1 TYR A 11 62.112 11.392 -1.311 1.00 1.00 C ATOM 150 CD2 TYR A 11 64.318 11.895 -2.184 1.00 1.00 C ATOM 151 CE1 TYR A 11 62.691 10.872 -0.147 1.00 1.00 C ATOM 152 CE2 TYR A 11 64.897 11.374 -1.020 1.00 1.00 C ATOM 153 CZ TYR A 11 64.084 10.864 -0.002 1.00 1.00 C ATOM 154 OH TYR A 11 64.654 10.351 1.145 1.00 1.00 O ATOM 0 H TYR A 11 60.475 10.108 -4.033 1.00 1.00 H new ATOM 0 HA TYR A 11 61.392 11.676 -5.372 1.00 1.00 H new ATOM 0 HB2 TYR A 11 62.945 13.230 -4.013 1.00 1.00 H new ATOM 0 HB3 TYR A 11 61.350 12.942 -3.348 1.00 1.00 H new ATOM 0 HD1 TYR A 11 61.038 11.398 -1.423 1.00 1.00 H new ATOM 0 HD2 TYR A 11 64.945 12.290 -2.969 1.00 1.00 H new ATOM 0 HE1 TYR A 11 62.064 10.477 0.639 1.00 1.00 H new ATOM 0 HE2 TYR A 11 65.971 11.366 -0.908 1.00 1.00 H new ATOM 0 HH TYR A 11 65.630 10.420 1.085 1.00 1.00 H new ATOM 164 N GLY A 12 63.456 9.800 -5.868 1.00 1.00 N ATOM 165 CA GLY A 12 64.671 9.340 -6.529 1.00 1.00 C ATOM 166 C GLY A 12 64.357 8.262 -7.560 1.00 1.00 C ATOM 167 O GLY A 12 64.781 8.349 -8.713 1.00 1.00 O ATOM 0 H GLY A 12 62.670 9.153 -5.926 1.00 1.00 H new ATOM 0 HA2 GLY A 12 65.165 10.181 -7.016 1.00 1.00 H new ATOM 0 HA3 GLY A 12 65.367 8.947 -5.787 1.00 1.00 H new ATOM 171 N ALA A 13 63.611 7.246 -7.138 1.00 1.00 N ATOM 172 CA ALA A 13 63.245 6.155 -8.035 1.00 1.00 C ATOM 173 C ALA A 13 62.407 5.115 -7.300 1.00 1.00 C ATOM 174 O ALA A 13 61.279 4.821 -7.696 1.00 1.00 O ATOM 175 CB ALA A 13 64.506 5.496 -8.595 1.00 1.00 C ATOM 0 H ALA A 13 63.250 7.155 -6.188 1.00 1.00 H new ATOM 0 HA ALA A 13 62.655 6.565 -8.855 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.225 4.682 -9.264 1.00 1.00 H new ATOM 0 HB2 ALA A 13 65.088 6.234 -9.146 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.105 5.101 -7.775 1.00 1.00 H new ATOM 181 N ASP A 14 62.966 4.561 -6.229 1.00 1.00 N ATOM 182 CA ASP A 14 62.260 3.554 -5.446 1.00 1.00 C ATOM 183 C ASP A 14 62.303 2.201 -6.149 1.00 1.00 C ATOM 184 O ASP A 14 61.672 1.241 -5.708 1.00 1.00 O ATOM 185 CB ASP A 14 60.804 3.977 -5.240 1.00 1.00 C ATOM 186 CG ASP A 14 60.304 3.483 -3.887 1.00 1.00 C ATOM 187 OD1 ASP A 14 60.740 2.424 -3.467 1.00 1.00 O ATOM 188 OD2 ASP A 14 59.493 4.172 -3.290 1.00 1.00 O ATOM 0 H ASP A 14 63.899 4.790 -5.886 1.00 1.00 H new ATOM 0 HA ASP A 14 62.752 3.464 -4.478 1.00 1.00 H new ATOM 0 HB2 ASP A 14 60.721 5.063 -5.293 1.00 1.00 H new ATOM 0 HB3 ASP A 14 60.182 3.570 -6.037 1.00 1.00 H new ATOM 193 N ASN A 15 63.053 2.133 -7.245 1.00 1.00 N ATOM 194 CA ASN A 15 63.171 0.892 -8.003 1.00 1.00 C ATOM 195 C ASN A 15 61.791 0.324 -8.319 1.00 1.00 C ATOM 196 O ASN A 15 61.140 -0.268 -7.458 1.00 1.00 O ATOM 197 CB ASN A 15 63.979 -0.133 -7.203 1.00 1.00 C ATOM 198 CG ASN A 15 64.658 0.548 -6.019 1.00 1.00 C ATOM 199 OD1 ASN A 15 65.452 1.562 -6.229 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 64.459 0.146 -4.873 1.00 1.00 N flip ATOM 0 H ASN A 15 63.584 2.916 -7.626 1.00 1.00 H new ATOM 0 HA ASN A 15 63.685 1.107 -8.940 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.324 -0.929 -6.849 1.00 1.00 H new ATOM 0 HB3 ASN A 15 64.728 -0.598 -7.844 1.00 1.00 H new ATOM 0 HD21 ASN A 15 63.838 -0.647 -4.711 1.00 1.00 H new ATOM 0 HD22 ASN A 15 64.915 0.606 -4.085 1.00 1.00 H new ATOM 207 N GLN A 16 61.352 0.510 -9.562 1.00 1.00 N ATOM 208 CA GLN A 16 60.048 0.015 -9.989 1.00 1.00 C ATOM 209 C GLN A 16 60.208 -1.160 -10.947 1.00 1.00 C ATOM 210 O GLN A 16 59.242 -1.602 -11.569 1.00 1.00 O ATOM 211 CB GLN A 16 59.267 1.135 -10.681 1.00 1.00 C ATOM 212 CG GLN A 16 58.797 2.150 -9.637 1.00 1.00 C ATOM 213 CD GLN A 16 58.893 3.563 -10.204 1.00 1.00 C ATOM 214 OE1 GLN A 16 57.876 4.237 -10.367 1.00 1.00 O ATOM 215 NE2 GLN A 16 60.062 4.053 -10.516 1.00 1.00 N ATOM 0 H GLN A 16 61.878 0.998 -10.287 1.00 1.00 H new ATOM 0 HA GLN A 16 59.501 -0.321 -9.108 1.00 1.00 H new ATOM 0 HB2 GLN A 16 59.896 1.626 -11.424 1.00 1.00 H new ATOM 0 HB3 GLN A 16 58.410 0.721 -11.212 1.00 1.00 H new ATOM 0 HG2 GLN A 16 57.769 1.935 -9.346 1.00 1.00 H new ATOM 0 HG3 GLN A 16 59.407 2.068 -8.737 1.00 1.00 H new ATOM 0 HE21 GLN A 16 60.903 3.492 -10.380 1.00 1.00 H new ATOM 0 HE22 GLN A 16 60.134 4.997 -10.896 1.00 1.00 H new ATOM 224 N SER A 17 61.435 -1.663 -11.059 1.00 1.00 N ATOM 225 CA SER A 17 61.713 -2.788 -11.945 1.00 1.00 C ATOM 226 C SER A 17 62.586 -3.823 -11.242 1.00 1.00 C ATOM 227 O SER A 17 62.939 -4.848 -11.823 1.00 1.00 O ATOM 228 CB SER A 17 62.421 -2.295 -13.207 1.00 1.00 C ATOM 229 OG SER A 17 61.761 -1.133 -13.692 1.00 1.00 O ATOM 0 H SER A 17 62.247 -1.312 -10.551 1.00 1.00 H new ATOM 0 HA SER A 17 60.766 -3.254 -12.217 1.00 1.00 H new ATOM 0 HB2 SER A 17 63.465 -2.070 -12.988 1.00 1.00 H new ATOM 0 HB3 SER A 17 62.416 -3.075 -13.969 1.00 1.00 H new ATOM 0 HG SER A 17 62.213 -0.813 -14.500 1.00 1.00 H new ATOM 235 N GLU A 18 62.930 -3.547 -9.987 1.00 1.00 N ATOM 236 CA GLU A 18 63.761 -4.463 -9.216 1.00 1.00 C ATOM 237 C GLU A 18 63.109 -5.840 -9.132 1.00 1.00 C ATOM 238 O GLU A 18 63.714 -6.796 -8.648 1.00 1.00 O ATOM 239 CB GLU A 18 63.979 -3.912 -7.805 1.00 1.00 C ATOM 240 CG GLU A 18 62.736 -4.174 -6.952 1.00 1.00 C ATOM 241 CD GLU A 18 61.476 -3.901 -7.767 1.00 1.00 C ATOM 242 OE1 GLU A 18 61.361 -2.807 -8.293 1.00 1.00 O ATOM 243 OE2 GLU A 18 60.644 -4.789 -7.852 1.00 1.00 O ATOM 0 H GLU A 18 62.649 -2.704 -9.487 1.00 1.00 H new ATOM 0 HA GLU A 18 64.723 -4.560 -9.720 1.00 1.00 H new ATOM 0 HB2 GLU A 18 64.850 -4.384 -7.350 1.00 1.00 H new ATOM 0 HB3 GLU A 18 64.183 -2.842 -7.849 1.00 1.00 H new ATOM 0 HG2 GLU A 18 62.736 -5.206 -6.602 1.00 1.00 H new ATOM 0 HG3 GLU A 18 62.752 -3.538 -6.067 1.00 1.00 H new ATOM 250 N CYS A 19 61.871 -5.931 -9.607 1.00 1.00 N ATOM 251 CA CYS A 19 61.146 -7.196 -9.582 1.00 1.00 C ATOM 252 C CYS A 19 59.848 -7.086 -10.376 1.00 1.00 C ATOM 253 O CYS A 19 58.786 -7.498 -9.909 1.00 1.00 O ATOM 254 CB CYS A 19 60.829 -7.587 -8.137 1.00 1.00 C ATOM 255 SG CYS A 19 60.740 -9.389 -8.005 1.00 1.00 S ATOM 0 H CYS A 19 61.352 -5.151 -10.011 1.00 1.00 H new ATOM 0 HA CYS A 19 61.774 -7.962 -10.037 1.00 1.00 H new ATOM 0 HB2 CYS A 19 61.597 -7.200 -7.468 1.00 1.00 H new ATOM 0 HB3 CYS A 19 59.883 -7.142 -7.828 1.00 1.00 H new ATOM 0 HG CYS A 19 60.472 -9.721 -6.777 1.00 1.00 H new ATOM 261 N GLU A 20 59.943 -6.529 -11.579 1.00 1.00 N ATOM 262 CA GLU A 20 58.769 -6.371 -12.430 1.00 1.00 C ATOM 263 C GLU A 20 59.109 -6.705 -13.878 1.00 1.00 C ATOM 264 O GLU A 20 58.414 -6.282 -14.803 1.00 1.00 O ATOM 265 CB GLU A 20 58.252 -4.934 -12.344 1.00 1.00 C ATOM 266 CG GLU A 20 56.775 -4.946 -11.942 1.00 1.00 C ATOM 267 CD GLU A 20 56.213 -3.528 -11.978 1.00 1.00 C ATOM 268 OE1 GLU A 20 56.289 -2.855 -10.964 1.00 1.00 O ATOM 269 OE2 GLU A 20 55.715 -3.137 -13.022 1.00 1.00 O ATOM 0 H GLU A 20 60.813 -6.182 -11.984 1.00 1.00 H new ATOM 0 HA GLU A 20 57.996 -7.057 -12.083 1.00 1.00 H new ATOM 0 HB2 GLU A 20 58.834 -4.370 -11.615 1.00 1.00 H new ATOM 0 HB3 GLU A 20 58.374 -4.434 -13.305 1.00 1.00 H new ATOM 0 HG2 GLU A 20 56.210 -5.587 -12.619 1.00 1.00 H new ATOM 0 HG3 GLU A 20 56.665 -5.364 -10.941 1.00 1.00 H new ATOM 276 N TYR A 21 60.181 -7.467 -14.068 1.00 1.00 N ATOM 277 CA TYR A 21 60.604 -7.853 -15.410 1.00 1.00 C ATOM 278 C TYR A 21 60.138 -9.268 -15.733 1.00 1.00 C ATOM 279 O TYR A 21 59.512 -9.506 -16.765 1.00 1.00 O ATOM 280 CB TYR A 21 62.128 -7.778 -15.519 1.00 1.00 C ATOM 281 CG TYR A 21 62.511 -6.675 -16.476 1.00 1.00 C ATOM 282 CD1 TYR A 21 62.383 -5.336 -16.089 1.00 1.00 C ATOM 283 CD2 TYR A 21 62.997 -6.991 -17.751 1.00 1.00 C ATOM 284 CE1 TYR A 21 62.738 -4.313 -16.976 1.00 1.00 C ATOM 285 CE2 TYR A 21 63.352 -5.968 -18.638 1.00 1.00 C ATOM 286 CZ TYR A 21 63.224 -4.629 -18.251 1.00 1.00 C ATOM 287 OH TYR A 21 63.573 -3.621 -19.126 1.00 1.00 O ATOM 0 H TYR A 21 60.769 -7.827 -13.316 1.00 1.00 H new ATOM 0 HA TYR A 21 60.154 -7.163 -16.124 1.00 1.00 H new ATOM 0 HB2 TYR A 21 62.565 -7.591 -14.538 1.00 1.00 H new ATOM 0 HB3 TYR A 21 62.526 -8.731 -15.868 1.00 1.00 H new ATOM 0 HD1 TYR A 21 62.010 -5.092 -15.105 1.00 1.00 H new ATOM 0 HD2 TYR A 21 63.098 -8.024 -18.050 1.00 1.00 H new ATOM 0 HE1 TYR A 21 62.637 -3.280 -16.677 1.00 1.00 H new ATOM 0 HE2 TYR A 21 63.725 -6.212 -19.622 1.00 1.00 H new ATOM 0 HH TYR A 21 63.892 -4.013 -19.966 1.00 1.00 H new ATOM 297 N THR A 22 60.449 -10.205 -14.842 1.00 1.00 N ATOM 298 CA THR A 22 60.056 -11.595 -15.043 1.00 1.00 C ATOM 299 C THR A 22 59.603 -12.219 -13.727 1.00 1.00 C ATOM 300 O THR A 22 59.782 -13.416 -13.502 1.00 1.00 O ATOM 301 CB THR A 22 61.232 -12.393 -15.610 1.00 1.00 C ATOM 302 OG1 THR A 22 62.416 -12.059 -14.899 1.00 1.00 O ATOM 303 CG2 THR A 22 61.411 -12.059 -17.092 1.00 1.00 C ATOM 0 H THR A 22 60.967 -10.029 -13.981 1.00 1.00 H new ATOM 0 HA THR A 22 59.226 -11.620 -15.749 1.00 1.00 H new ATOM 0 HB THR A 22 61.033 -13.459 -15.503 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.170 -12.571 -15.260 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.249 -12.628 -17.495 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.502 -12.318 -17.636 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.609 -10.993 -17.203 1.00 1.00 H new ATOM 311 N ASP A 23 59.015 -11.399 -12.862 1.00 1.00 N ATOM 312 CA ASP A 23 58.538 -11.880 -11.570 1.00 1.00 C ATOM 313 C ASP A 23 57.162 -11.302 -11.258 1.00 1.00 C ATOM 314 O ASP A 23 56.609 -11.534 -10.183 1.00 1.00 O ATOM 315 CB ASP A 23 59.523 -11.482 -10.469 1.00 1.00 C ATOM 316 CG ASP A 23 60.305 -12.706 -10.003 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.764 -13.449 -10.853 1.00 1.00 O ATOM 318 OD2 ASP A 23 60.433 -12.879 -8.801 1.00 1.00 O ATOM 0 H ASP A 23 58.858 -10.405 -13.030 1.00 1.00 H new ATOM 0 HA ASP A 23 58.461 -12.966 -11.613 1.00 1.00 H new ATOM 0 HB2 ASP A 23 60.209 -10.721 -10.841 1.00 1.00 H new ATOM 0 HB3 ASP A 23 58.985 -11.042 -9.629 1.00 1.00 H new ATOM 323 N TRP A 24 56.614 -10.548 -12.206 1.00 1.00 N ATOM 324 CA TRP A 24 55.301 -9.941 -12.022 1.00 1.00 C ATOM 325 C TRP A 24 54.198 -10.950 -12.324 1.00 1.00 C ATOM 326 O TRP A 24 53.016 -10.609 -12.330 1.00 1.00 O ATOM 327 CB TRP A 24 55.152 -8.729 -12.943 1.00 1.00 C ATOM 328 CG TRP A 24 55.048 -9.191 -14.361 1.00 1.00 C ATOM 329 CD1 TRP A 24 56.074 -9.679 -15.095 1.00 1.00 C ATOM 330 CD2 TRP A 24 53.876 -9.218 -15.226 1.00 1.00 C ATOM 331 NE1 TRP A 24 55.607 -10.004 -16.357 1.00 1.00 N ATOM 332 CE2 TRP A 24 54.258 -9.737 -16.486 1.00 1.00 C ATOM 333 CE3 TRP A 24 52.532 -8.845 -15.041 1.00 1.00 C ATOM 334 CZ2 TRP A 24 53.339 -9.883 -17.525 1.00 1.00 C ATOM 335 CZ3 TRP A 24 51.605 -8.990 -16.086 1.00 1.00 C ATOM 336 CH2 TRP A 24 52.007 -9.507 -17.326 1.00 1.00 C ATOM 0 H TRP A 24 57.055 -10.344 -13.103 1.00 1.00 H new ATOM 0 HA TRP A 24 55.212 -9.621 -10.984 1.00 1.00 H new ATOM 0 HB2 TRP A 24 54.265 -8.158 -12.669 1.00 1.00 H new ATOM 0 HB3 TRP A 24 56.008 -8.064 -12.828 1.00 1.00 H new ATOM 0 HD1 TRP A 24 57.092 -9.796 -14.752 1.00 1.00 H new ATOM 0 HE1 TRP A 24 56.188 -10.393 -17.100 1.00 1.00 H new ATOM 0 HE3 TRP A 24 52.212 -8.445 -14.090 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 53.654 -10.284 -18.477 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 50.576 -8.701 -15.934 1.00 1.00 H new ATOM 0 HH2 TRP A 24 51.289 -9.615 -18.126 1.00 1.00 H new ATOM 347 N LYS A 25 54.594 -12.194 -12.571 1.00 1.00 N ATOM 348 CA LYS A 25 53.630 -13.246 -12.873 1.00 1.00 C ATOM 349 C LYS A 25 54.085 -14.577 -12.281 1.00 1.00 C ATOM 350 O LYS A 25 53.592 -15.638 -12.664 1.00 1.00 O ATOM 351 CB LYS A 25 53.458 -13.388 -14.388 1.00 1.00 C ATOM 352 CG LYS A 25 54.793 -13.129 -15.091 1.00 1.00 C ATOM 353 CD LYS A 25 55.855 -14.089 -14.551 1.00 1.00 C ATOM 354 CE LYS A 25 57.042 -14.132 -15.517 1.00 1.00 C ATOM 355 NZ LYS A 25 58.101 -15.021 -14.963 1.00 1.00 N ATOM 0 H LYS A 25 55.568 -12.497 -12.568 1.00 1.00 H new ATOM 0 HA LYS A 25 52.674 -12.971 -12.428 1.00 1.00 H new ATOM 0 HB2 LYS A 25 53.098 -14.388 -14.630 1.00 1.00 H new ATOM 0 HB3 LYS A 25 52.707 -12.684 -14.745 1.00 1.00 H new ATOM 0 HG2 LYS A 25 54.681 -13.264 -16.167 1.00 1.00 H new ATOM 0 HG3 LYS A 25 55.106 -12.097 -14.930 1.00 1.00 H new ATOM 0 HD2 LYS A 25 56.187 -13.764 -13.565 1.00 1.00 H new ATOM 0 HD3 LYS A 25 55.432 -15.087 -14.433 1.00 1.00 H new ATOM 0 HE2 LYS A 25 56.718 -14.498 -16.492 1.00 1.00 H new ATOM 0 HE3 LYS A 25 57.438 -13.128 -15.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 58.631 -15.457 -15.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 58.750 -14.462 -14.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.662 -15.765 -14.384 1.00 1.00 H new ATOM 369 N SER A 26 55.028 -14.512 -11.347 1.00 1.00 N ATOM 370 CA SER A 26 55.542 -15.719 -10.710 1.00 1.00 C ATOM 371 C SER A 26 55.873 -15.452 -9.245 1.00 1.00 C ATOM 372 O SER A 26 54.978 -15.271 -8.419 1.00 1.00 O ATOM 373 CB SER A 26 56.797 -16.200 -11.439 1.00 1.00 C ATOM 374 OG SER A 26 57.828 -15.234 -11.285 1.00 1.00 O ATOM 0 H SER A 26 55.449 -13.644 -11.016 1.00 1.00 H new ATOM 0 HA SER A 26 54.774 -16.490 -10.762 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.120 -17.160 -11.037 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.581 -16.353 -12.496 1.00 1.00 H new ATOM 0 HG SER A 26 58.635 -15.540 -11.750 1.00 1.00 H new ATOM 380 N SER A 27 57.164 -15.428 -8.930 1.00 1.00 N ATOM 381 CA SER A 27 57.602 -15.182 -7.561 1.00 1.00 C ATOM 382 C SER A 27 57.380 -13.721 -7.183 1.00 1.00 C ATOM 383 O SER A 27 58.231 -13.098 -6.548 1.00 1.00 O ATOM 384 CB SER A 27 59.083 -15.530 -7.416 1.00 1.00 C ATOM 385 OG SER A 27 59.549 -15.083 -6.150 1.00 1.00 O ATOM 0 H SER A 27 57.920 -15.575 -9.599 1.00 1.00 H new ATOM 0 HA SER A 27 57.015 -15.812 -6.892 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.226 -16.606 -7.510 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.658 -15.061 -8.214 1.00 1.00 H new ATOM 0 HG SER A 27 59.465 -14.108 -6.096 1.00 1.00 H new ATOM 391 N GLY A 28 56.231 -13.180 -7.576 1.00 1.00 N ATOM 392 CA GLY A 28 55.908 -11.791 -7.272 1.00 1.00 C ATOM 393 C GLY A 28 54.455 -11.483 -7.613 1.00 1.00 C ATOM 394 O GLY A 28 54.123 -10.366 -8.009 1.00 1.00 O ATOM 0 H GLY A 28 55.513 -13.678 -8.102 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.087 -11.595 -6.215 1.00 1.00 H new ATOM 0 HA3 GLY A 28 56.566 -11.129 -7.835 1.00 1.00 H new ATOM 398 N ALA A 29 53.590 -12.481 -7.455 1.00 1.00 N ATOM 399 CA ALA A 29 52.172 -12.305 -7.748 1.00 1.00 C ATOM 400 C ALA A 29 51.317 -13.013 -6.703 1.00 1.00 C ATOM 401 O ALA A 29 50.128 -12.726 -6.564 1.00 1.00 O ATOM 402 CB ALA A 29 51.853 -12.866 -9.135 1.00 1.00 C ATOM 0 H ALA A 29 53.844 -13.413 -7.128 1.00 1.00 H new ATOM 0 HA ALA A 29 51.945 -11.239 -7.725 1.00 1.00 H new ATOM 0 HB1 ALA A 29 50.792 -12.731 -9.347 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.443 -12.339 -9.885 1.00 1.00 H new ATOM 0 HB3 ALA A 29 52.096 -13.928 -9.163 1.00 1.00 H new ATOM 408 N LEU A 30 51.933 -13.937 -5.970 1.00 1.00 N ATOM 409 CA LEU A 30 51.224 -14.685 -4.935 1.00 1.00 C ATOM 410 C LEU A 30 51.738 -14.304 -3.550 1.00 1.00 C ATOM 411 O LEU A 30 50.997 -14.355 -2.568 1.00 1.00 O ATOM 412 CB LEU A 30 51.415 -16.187 -5.157 1.00 1.00 C ATOM 413 CG LEU A 30 51.080 -16.535 -6.608 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.372 -16.664 -7.414 1.00 1.00 C ATOM 415 CD2 LEU A 30 50.319 -17.861 -6.649 1.00 1.00 C ATOM 0 H LEU A 30 52.917 -14.185 -6.073 1.00 1.00 H new ATOM 0 HA LEU A 30 50.164 -14.439 -4.996 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.443 -16.471 -4.932 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.773 -16.750 -4.479 1.00 1.00 H new ATOM 0 HG LEU A 30 50.462 -15.746 -7.038 1.00 1.00 H new ATOM 0 HD11 LEU A 30 52.133 -16.912 -8.448 1.00 1.00 H new ATOM 0 HD12 LEU A 30 52.915 -15.720 -7.384 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.991 -17.453 -6.986 1.00 1.00 H new ATOM 0 HD21 LEU A 30 50.079 -18.111 -7.682 1.00 1.00 H new ATOM 0 HD22 LEU A 30 50.938 -18.649 -6.219 1.00 1.00 H new ATOM 0 HD23 LEU A 30 49.397 -17.769 -6.075 1.00 1.00 H new ATOM 427 N ILE A 31 53.009 -13.922 -3.479 1.00 1.00 N ATOM 428 CA ILE A 31 53.610 -13.536 -2.208 1.00 1.00 C ATOM 429 C ILE A 31 53.151 -12.136 -1.780 1.00 1.00 C ATOM 430 O ILE A 31 52.935 -11.893 -0.593 1.00 1.00 O ATOM 431 CB ILE A 31 55.144 -13.602 -2.314 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.624 -14.947 -1.760 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.799 -12.471 -1.510 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.921 -16.085 -2.501 1.00 1.00 C ATOM 0 H ILE A 31 53.638 -13.872 -4.280 1.00 1.00 H new ATOM 0 HA ILE A 31 53.279 -14.237 -1.441 1.00 1.00 H new ATOM 0 HB ILE A 31 55.425 -13.494 -3.362 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.704 -15.036 -1.877 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.413 -15.009 -0.692 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.883 -12.540 -1.601 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.463 -11.509 -1.896 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.517 -12.560 -0.461 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.263 -17.042 -2.107 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.843 -15.999 -2.361 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.155 -16.026 -3.564 1.00 1.00 H new ATOM 446 N PRO A 32 53.001 -11.212 -2.702 1.00 1.00 N ATOM 447 CA PRO A 32 52.566 -9.829 -2.381 1.00 1.00 C ATOM 448 C PRO A 32 51.045 -9.692 -2.366 1.00 1.00 C ATOM 449 O PRO A 32 50.508 -8.608 -2.597 1.00 1.00 O ATOM 450 CB PRO A 32 53.179 -9.006 -3.510 1.00 1.00 C ATOM 451 CG PRO A 32 53.261 -9.931 -4.685 1.00 1.00 C ATOM 452 CD PRO A 32 53.226 -11.369 -4.148 1.00 1.00 C ATOM 0 HA PRO A 32 52.882 -9.512 -1.387 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.564 -8.135 -3.739 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.166 -8.635 -3.233 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.429 -9.757 -5.368 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.178 -9.755 -5.248 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.429 -11.948 -4.614 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.161 -11.892 -4.351 1.00 1.00 H new ATOM 460 N ALA A 33 50.359 -10.799 -2.094 1.00 1.00 N ATOM 461 CA ALA A 33 48.900 -10.794 -2.051 1.00 1.00 C ATOM 462 C ALA A 33 48.397 -11.516 -0.805 1.00 1.00 C ATOM 463 O ALA A 33 47.198 -11.747 -0.652 1.00 1.00 O ATOM 464 CB ALA A 33 48.341 -11.480 -3.299 1.00 1.00 C ATOM 0 H ALA A 33 50.786 -11.705 -1.901 1.00 1.00 H new ATOM 0 HA ALA A 33 48.559 -9.759 -2.019 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.252 -11.473 -3.261 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.676 -10.947 -4.188 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.696 -12.510 -3.338 1.00 1.00 H new ATOM 470 N ILE A 34 49.320 -11.869 0.083 1.00 1.00 N ATOM 471 CA ILE A 34 48.957 -12.563 1.313 1.00 1.00 C ATOM 472 C ILE A 34 49.864 -12.131 2.461 1.00 1.00 C ATOM 473 O ILE A 34 49.411 -11.955 3.591 1.00 1.00 O ATOM 474 CB ILE A 34 49.070 -14.074 1.113 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.780 -14.359 -0.212 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.671 -14.690 1.084 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.025 -15.863 -0.344 1.00 1.00 C ATOM 0 H ILE A 34 50.318 -11.688 -0.024 1.00 1.00 H new ATOM 0 HA ILE A 34 47.928 -12.305 1.562 1.00 1.00 H new ATOM 0 HB ILE A 34 49.641 -14.509 1.933 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.174 -14.004 -1.046 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.727 -13.820 -0.253 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.751 -15.768 0.941 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.164 -14.485 2.027 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.100 -14.257 0.263 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.531 -16.068 -1.288 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.648 -16.204 0.483 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.071 -16.390 -0.322 1.00 1.00 H new ATOM 489 N TYR A 35 51.148 -11.961 2.161 1.00 1.00 N ATOM 490 CA TYR A 35 52.111 -11.549 3.175 1.00 1.00 C ATOM 491 C TYR A 35 52.021 -10.047 3.421 1.00 1.00 C ATOM 492 O TYR A 35 52.997 -9.414 3.824 1.00 1.00 O ATOM 493 CB TYR A 35 53.528 -11.912 2.725 1.00 1.00 C ATOM 494 CG TYR A 35 53.763 -13.388 2.944 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.968 -13.879 4.240 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.774 -14.265 1.853 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.187 -15.247 4.443 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.993 -15.633 2.057 1.00 1.00 C ATOM 499 CZ TYR A 35 54.198 -16.123 3.352 1.00 1.00 C ATOM 500 OH TYR A 35 54.412 -17.472 3.552 1.00 1.00 O ATOM 0 H TYR A 35 51.543 -12.101 1.231 1.00 1.00 H new ATOM 0 HA TYR A 35 51.880 -12.071 4.104 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.661 -11.664 1.672 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.259 -11.329 3.285 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.957 -13.203 5.082 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.614 -13.887 0.854 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.347 -15.626 5.442 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.004 -16.310 1.215 1.00 1.00 H new ATOM 0 HH TYR A 35 54.387 -17.938 2.690 1.00 1.00 H new ATOM 510 N MET A 36 50.844 -9.482 3.175 1.00 1.00 N ATOM 511 CA MET A 36 50.637 -8.051 3.375 1.00 1.00 C ATOM 512 C MET A 36 49.293 -7.793 4.048 1.00 1.00 C ATOM 513 O MET A 36 49.237 -7.352 5.195 1.00 1.00 O ATOM 514 CB MET A 36 50.684 -7.325 2.029 1.00 1.00 C ATOM 515 CG MET A 36 51.940 -7.745 1.264 1.00 1.00 C ATOM 516 SD MET A 36 53.409 -7.280 2.214 1.00 1.00 S ATOM 517 CE MET A 36 54.607 -8.251 1.269 1.00 1.00 C ATOM 0 H MET A 36 50.024 -9.988 2.839 1.00 1.00 H new ATOM 0 HA MET A 36 51.431 -7.674 4.020 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.794 -7.561 1.445 1.00 1.00 H new ATOM 0 HB3 MET A 36 50.685 -6.246 2.186 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.931 -8.821 1.092 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.960 -7.266 0.285 1.00 1.00 H new ATOM 0 HE1 MET A 36 55.602 -8.111 1.690 1.00 1.00 H new ATOM 0 HE2 MET A 36 54.338 -9.306 1.317 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.603 -7.922 0.230 1.00 1.00 H new ATOM 527 N LEU A 37 48.212 -8.070 3.325 1.00 1.00 N ATOM 528 CA LEU A 37 46.872 -7.863 3.863 1.00 1.00 C ATOM 529 C LEU A 37 46.764 -8.442 5.270 1.00 1.00 C ATOM 530 O LEU A 37 45.922 -8.018 6.063 1.00 1.00 O ATOM 531 CB LEU A 37 45.837 -8.527 2.955 1.00 1.00 C ATOM 532 CG LEU A 37 45.920 -7.917 1.554 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.865 -9.031 0.507 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.742 -6.962 1.344 1.00 1.00 C ATOM 0 H LEU A 37 48.237 -8.435 2.373 1.00 1.00 H new ATOM 0 HA LEU A 37 46.681 -6.791 3.908 1.00 1.00 H new ATOM 0 HB2 LEU A 37 46.016 -9.601 2.907 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.836 -8.389 3.365 1.00 1.00 H new ATOM 0 HG LEU A 37 46.857 -7.369 1.452 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.924 -8.596 -0.491 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.703 -9.712 0.656 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.929 -9.580 0.609 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.800 -6.527 0.346 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.806 -7.511 1.447 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.780 -6.168 2.089 1.00 1.00 H new ATOM 546 N VAL A 38 47.619 -9.412 5.574 1.00 1.00 N ATOM 547 CA VAL A 38 47.611 -10.042 6.889 1.00 1.00 C ATOM 548 C VAL A 38 48.643 -9.390 7.802 1.00 1.00 C ATOM 549 O VAL A 38 48.328 -8.985 8.921 1.00 1.00 O ATOM 550 CB VAL A 38 47.917 -11.535 6.754 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.620 -12.238 8.080 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.043 -12.136 5.652 1.00 1.00 C ATOM 0 H VAL A 38 48.322 -9.778 4.932 1.00 1.00 H new ATOM 0 HA VAL A 38 46.622 -9.912 7.328 1.00 1.00 H new ATOM 0 HB VAL A 38 48.968 -11.669 6.499 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.838 -13.302 7.985 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.242 -11.809 8.866 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.569 -12.104 8.335 1.00 1.00 H new ATOM 0 HG21 VAL A 38 47.260 -13.200 5.555 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.992 -12.002 5.908 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.253 -11.635 4.707 1.00 1.00 H new ATOM 562 N PHE A 39 49.877 -9.293 7.317 1.00 1.00 N ATOM 563 CA PHE A 39 50.949 -8.689 8.098 1.00 1.00 C ATOM 564 C PHE A 39 50.446 -7.443 8.820 1.00 1.00 C ATOM 565 O PHE A 39 50.925 -7.106 9.904 1.00 1.00 O ATOM 566 CB PHE A 39 52.115 -8.316 7.182 1.00 1.00 C ATOM 567 CG PHE A 39 53.406 -8.359 7.964 1.00 1.00 C ATOM 568 CD1 PHE A 39 54.110 -9.562 8.084 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.897 -7.196 8.569 1.00 1.00 C ATOM 570 CE1 PHE A 39 55.307 -9.603 8.810 1.00 1.00 C ATOM 571 CE2 PHE A 39 55.093 -7.237 9.295 1.00 1.00 C ATOM 572 CZ PHE A 39 55.799 -8.440 9.415 1.00 1.00 C ATOM 0 H PHE A 39 50.157 -9.623 6.393 1.00 1.00 H new ATOM 0 HA PHE A 39 51.288 -9.413 8.839 1.00 1.00 H new ATOM 0 HB2 PHE A 39 52.165 -9.006 6.340 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.961 -7.319 6.768 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.731 -10.459 7.617 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.353 -6.268 8.476 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.851 -10.532 8.903 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.471 -6.340 9.763 1.00 1.00 H new ATOM 0 HZ PHE A 39 56.723 -8.471 9.974 1.00 1.00 H new ATOM 582 N LEU A 40 49.476 -6.766 8.212 1.00 1.00 N ATOM 583 CA LEU A 40 48.906 -5.557 8.798 1.00 1.00 C ATOM 584 C LEU A 40 47.454 -5.795 9.202 1.00 1.00 C ATOM 585 O LEU A 40 46.530 -5.415 8.483 1.00 1.00 O ATOM 586 CB LEU A 40 48.976 -4.406 7.792 1.00 1.00 C ATOM 587 CG LEU A 40 50.434 -4.155 7.404 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.587 -4.278 5.887 1.00 1.00 C ATOM 589 CD2 LEU A 40 50.843 -2.747 7.844 1.00 1.00 C ATOM 0 H LEU A 40 49.069 -7.033 7.316 1.00 1.00 H new ATOM 0 HA LEU A 40 49.482 -5.297 9.686 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.389 -4.647 6.906 1.00 1.00 H new ATOM 0 HB3 LEU A 40 48.543 -3.504 8.225 1.00 1.00 H new ATOM 0 HG LEU A 40 51.072 -4.890 7.895 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.626 -4.099 5.610 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.295 -5.280 5.572 1.00 1.00 H new ATOM 0 HD13 LEU A 40 49.949 -3.543 5.396 1.00 1.00 H new ATOM 0 HD21 LEU A 40 51.882 -2.567 7.568 1.00 1.00 H new ATOM 0 HD22 LEU A 40 50.205 -2.013 7.353 1.00 1.00 H new ATOM 0 HD23 LEU A 40 50.734 -2.658 8.925 1.00 1.00 H new ATOM 601 N LEU A 41 47.262 -6.425 10.355 1.00 1.00 N ATOM 602 CA LEU A 41 45.917 -6.708 10.845 1.00 1.00 C ATOM 603 C LEU A 41 45.936 -6.954 12.350 1.00 1.00 C ATOM 604 O LEU A 41 45.313 -6.220 13.117 1.00 1.00 O ATOM 605 CB LEU A 41 45.351 -7.940 10.133 1.00 1.00 C ATOM 606 CG LEU A 41 44.208 -7.519 9.208 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.771 -8.714 8.360 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.023 -7.029 10.045 1.00 1.00 C ATOM 0 H LEU A 41 48.014 -6.748 10.964 1.00 1.00 H new ATOM 0 HA LEU A 41 45.285 -5.844 10.637 1.00 1.00 H new ATOM 0 HB2 LEU A 41 46.135 -8.432 9.558 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.992 -8.663 10.866 1.00 1.00 H new ATOM 0 HG LEU A 41 44.549 -6.715 8.556 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.956 -8.414 7.701 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.613 -9.063 7.761 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.432 -9.519 9.013 1.00 1.00 H new ATOM 0 HD21 LEU A 41 42.210 -6.730 9.384 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.682 -7.832 10.699 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.332 -6.176 10.649 1.00 1.00 H new ATOM 620 N GLY A 42 46.656 -7.992 12.766 1.00 1.00 N ATOM 621 CA GLY A 42 46.748 -8.327 14.181 1.00 1.00 C ATOM 622 C GLY A 42 47.675 -7.360 14.911 1.00 1.00 C ATOM 623 O GLY A 42 48.296 -7.717 15.913 1.00 1.00 O ATOM 0 H GLY A 42 47.180 -8.611 12.147 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.756 -8.296 14.631 1.00 1.00 H new ATOM 0 HA3 GLY A 42 47.117 -9.346 14.294 1.00 1.00 H new ATOM 627 N THR A 43 47.764 -6.136 14.403 1.00 1.00 N ATOM 628 CA THR A 43 48.619 -5.125 15.015 1.00 1.00 C ATOM 629 C THR A 43 48.417 -3.773 14.339 1.00 1.00 C ATOM 630 O THR A 43 47.614 -2.956 14.790 1.00 1.00 O ATOM 631 CB THR A 43 50.087 -5.542 14.901 1.00 1.00 C ATOM 632 OG1 THR A 43 50.902 -4.381 14.829 1.00 1.00 O ATOM 633 CG2 THR A 43 50.285 -6.386 13.640 1.00 1.00 C ATOM 0 H THR A 43 47.259 -5.821 13.575 1.00 1.00 H new ATOM 0 HA THR A 43 48.349 -5.036 16.067 1.00 1.00 H new ATOM 0 HB THR A 43 50.367 -6.130 15.775 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.843 -4.646 14.758 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.331 -6.682 13.561 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.659 -7.277 13.696 1.00 1.00 H new ATOM 0 HG23 THR A 43 50.006 -5.801 12.763 1.00 1.00 H new ATOM 641 N THR A 44 49.151 -3.544 13.255 1.00 1.00 N ATOM 642 CA THR A 44 49.045 -2.287 12.523 1.00 1.00 C ATOM 643 C THR A 44 49.159 -1.101 13.475 1.00 1.00 C ATOM 644 O THR A 44 48.894 0.040 13.094 1.00 1.00 O ATOM 645 CB THR A 44 47.707 -2.224 11.783 1.00 1.00 C ATOM 646 OG1 THR A 44 46.756 -1.539 12.586 1.00 1.00 O ATOM 647 CG2 THR A 44 47.211 -3.642 11.497 1.00 1.00 C ATOM 0 H THR A 44 49.821 -4.207 12.866 1.00 1.00 H new ATOM 0 HA THR A 44 49.861 -2.239 11.802 1.00 1.00 H new ATOM 0 HB THR A 44 47.838 -1.692 10.841 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.720 -1.952 13.474 1.00 1.00 H new ATOM 0 HG21 THR A 44 46.258 -3.595 10.970 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.941 -4.165 10.880 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.080 -4.178 12.437 1.00 1.00 H new ATOM 655 N GLY A 45 49.556 -1.377 14.713 1.00 1.00 N ATOM 656 CA GLY A 45 49.701 -0.324 15.710 1.00 1.00 C ATOM 657 C GLY A 45 48.345 0.082 16.277 1.00 1.00 C ATOM 658 O GLY A 45 48.252 0.997 17.094 1.00 1.00 O ATOM 0 H GLY A 45 49.781 -2.314 15.048 1.00 1.00 H new ATOM 0 HA2 GLY A 45 50.348 -0.669 16.517 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.186 0.543 15.261 1.00 1.00 H new ATOM 662 N ASN A 46 47.296 -0.608 15.839 1.00 1.00 N ATOM 663 CA ASN A 46 45.948 -0.309 16.311 1.00 1.00 C ATOM 664 C ASN A 46 45.523 -1.307 17.383 1.00 1.00 C ATOM 665 O ASN A 46 44.621 -1.035 18.175 1.00 1.00 O ATOM 666 CB ASN A 46 44.962 -0.363 15.143 1.00 1.00 C ATOM 667 CG ASN A 46 44.306 -1.737 15.076 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.043 -2.807 15.187 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 43.089 -1.838 14.918 1.00 1.00 N flip ATOM 0 H ASN A 46 47.352 -1.371 15.164 1.00 1.00 H new ATOM 0 HA ASN A 46 45.947 0.693 16.741 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.200 0.407 15.264 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.482 -0.153 14.208 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.515 -1.000 14.831 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.655 -2.760 14.874 1.00 1.00 H new ATOM 676 N GLY A 47 46.180 -2.463 17.404 1.00 1.00 N ATOM 677 CA GLY A 47 45.861 -3.494 18.384 1.00 1.00 C ATOM 678 C GLY A 47 46.715 -3.336 19.638 1.00 1.00 C ATOM 679 O GLY A 47 46.255 -3.598 20.749 1.00 1.00 O ATOM 0 H GLY A 47 46.931 -2.708 16.758 1.00 1.00 H new ATOM 0 HA2 GLY A 47 44.805 -3.436 18.649 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.027 -4.479 17.948 1.00 1.00 H new ATOM 683 N LEU A 48 47.958 -2.906 19.452 1.00 1.00 N ATOM 684 CA LEU A 48 48.868 -2.717 20.577 1.00 1.00 C ATOM 685 C LEU A 48 48.754 -1.298 21.124 1.00 1.00 C ATOM 686 O LEU A 48 47.672 -0.711 21.133 1.00 1.00 O ATOM 687 CB LEU A 48 50.309 -2.982 20.136 1.00 1.00 C ATOM 688 CG LEU A 48 50.327 -4.093 19.085 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.777 -4.461 18.757 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.603 -5.325 19.633 1.00 1.00 C ATOM 0 H LEU A 48 48.357 -2.683 18.540 1.00 1.00 H new ATOM 0 HA LEU A 48 48.595 -3.421 21.363 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.748 -2.072 19.726 1.00 1.00 H new ATOM 0 HB3 LEU A 48 50.916 -3.270 20.995 1.00 1.00 H new ATOM 0 HG LEU A 48 49.825 -3.746 18.182 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.791 -5.253 18.008 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.296 -3.585 18.368 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.278 -4.808 19.661 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.615 -6.117 18.884 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.106 -5.671 20.536 1.00 1.00 H new ATOM 0 HD23 LEU A 48 48.571 -5.065 19.869 1.00 1.00 H new ATOM 702 N VAL A 49 49.878 -0.754 21.578 1.00 1.00 N ATOM 703 CA VAL A 49 49.893 0.598 22.125 1.00 1.00 C ATOM 704 C VAL A 49 49.013 0.685 23.368 1.00 1.00 C ATOM 705 O VAL A 49 49.512 0.811 24.486 1.00 1.00 O ATOM 706 CB VAL A 49 49.396 1.592 21.074 1.00 1.00 C ATOM 707 CG1 VAL A 49 49.845 3.004 21.452 1.00 1.00 C ATOM 708 CG2 VAL A 49 49.977 1.220 19.709 1.00 1.00 C ATOM 0 H VAL A 49 50.783 -1.224 21.579 1.00 1.00 H new ATOM 0 HA VAL A 49 50.918 0.845 22.403 1.00 1.00 H new ATOM 0 HB VAL A 49 48.307 1.559 21.028 1.00 1.00 H new ATOM 0 HG11 VAL A 49 49.490 3.711 20.702 1.00 1.00 H new ATOM 0 HG12 VAL A 49 49.432 3.269 22.425 1.00 1.00 H new ATOM 0 HG13 VAL A 49 50.933 3.040 21.498 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.624 1.927 18.958 1.00 1.00 H new ATOM 0 HG22 VAL A 49 51.065 1.253 19.756 1.00 1.00 H new ATOM 0 HG23 VAL A 49 49.656 0.214 19.439 1.00 1.00 H new ATOM 718 N LEU A 50 47.701 0.618 23.165 1.00 1.00 N ATOM 719 CA LEU A 50 46.761 0.690 24.277 1.00 1.00 C ATOM 720 C LEU A 50 47.020 -0.437 25.271 1.00 1.00 C ATOM 721 O LEU A 50 46.381 -0.511 26.321 1.00 1.00 O ATOM 722 CB LEU A 50 45.326 0.594 23.756 1.00 1.00 C ATOM 723 CG LEU A 50 45.128 -0.749 23.048 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.157 -1.613 23.854 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.555 -0.506 21.651 1.00 1.00 C ATOM 0 H LEU A 50 47.267 0.515 22.248 1.00 1.00 H new ATOM 0 HA LEU A 50 46.900 1.645 24.784 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.621 0.689 24.582 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.122 1.414 23.067 1.00 1.00 H new ATOM 0 HG LEU A 50 46.086 -1.262 22.965 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.016 -2.569 23.350 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.564 -1.785 24.851 1.00 1.00 H new ATOM 0 HD13 LEU A 50 43.198 -1.102 23.937 1.00 1.00 H new ATOM 0 HD21 LEU A 50 44.413 -1.461 21.145 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.596 0.006 21.735 1.00 1.00 H new ATOM 0 HD23 LEU A 50 45.246 0.110 21.076 1.00 1.00 H new ATOM 737 N TRP A 51 47.961 -1.313 24.933 1.00 1.00 N ATOM 738 CA TRP A 51 48.295 -2.434 25.806 1.00 1.00 C ATOM 739 C TRP A 51 49.065 -1.943 27.032 1.00 1.00 C ATOM 740 O TRP A 51 48.780 -2.339 28.160 1.00 1.00 O ATOM 741 CB TRP A 51 49.155 -3.447 25.046 1.00 1.00 C ATOM 742 CG TRP A 51 48.452 -4.769 24.939 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.388 -5.499 23.802 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.732 -5.528 25.953 1.00 1.00 C ATOM 745 NE1 TRP A 51 47.676 -6.657 24.054 1.00 1.00 N ATOM 746 CE2 TRP A 51 47.250 -6.721 25.365 1.00 1.00 C ATOM 747 CE3 TRP A 51 47.453 -5.298 27.313 1.00 1.00 C ATOM 748 CZ2 TRP A 51 46.517 -7.654 26.101 1.00 1.00 C ATOM 749 CZ3 TRP A 51 46.716 -6.235 28.055 1.00 1.00 C ATOM 750 CH2 TRP A 51 46.250 -7.411 27.450 1.00 1.00 C ATOM 0 H TRP A 51 48.502 -1.270 24.069 1.00 1.00 H new ATOM 0 HA TRP A 51 47.368 -2.908 26.130 1.00 1.00 H new ATOM 0 HB2 TRP A 51 49.377 -3.067 24.049 1.00 1.00 H new ATOM 0 HB3 TRP A 51 50.109 -3.577 25.557 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.822 -5.222 22.853 1.00 1.00 H new ATOM 0 HE1 TRP A 51 47.488 -7.377 23.356 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.808 -4.396 27.789 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.159 -8.558 25.630 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 46.507 -6.049 29.098 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.685 -8.128 28.027 1.00 1.00 H new ATOM 761 N THR A 52 50.047 -1.078 26.797 1.00 1.00 N ATOM 762 CA THR A 52 50.862 -0.542 27.884 1.00 1.00 C ATOM 763 C THR A 52 49.995 -0.105 29.064 1.00 1.00 C ATOM 764 O THR A 52 50.503 0.153 30.154 1.00 1.00 O ATOM 765 CB THR A 52 51.676 0.654 27.381 1.00 1.00 C ATOM 766 OG1 THR A 52 52.545 1.099 28.413 1.00 1.00 O ATOM 767 CG2 THR A 52 50.730 1.787 26.983 1.00 1.00 C ATOM 0 H THR A 52 50.297 -0.734 25.870 1.00 1.00 H new ATOM 0 HA THR A 52 51.532 -1.332 28.223 1.00 1.00 H new ATOM 0 HB THR A 52 52.264 0.355 26.513 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.141 0.908 29.285 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.311 2.637 26.625 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.064 1.444 26.191 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.140 2.089 27.848 1.00 1.00 H new ATOM 775 N VAL A 53 48.689 -0.021 28.840 1.00 1.00 N ATOM 776 CA VAL A 53 47.770 0.388 29.895 1.00 1.00 C ATOM 777 C VAL A 53 47.328 -0.813 30.729 1.00 1.00 C ATOM 778 O VAL A 53 47.070 -0.683 31.926 1.00 1.00 O ATOM 779 CB VAL A 53 46.542 1.064 29.284 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.612 1.542 30.401 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.986 2.263 28.444 1.00 1.00 C ATOM 0 H VAL A 53 48.245 -0.229 27.945 1.00 1.00 H new ATOM 0 HA VAL A 53 48.290 1.091 30.545 1.00 1.00 H new ATOM 0 HB VAL A 53 46.013 0.351 28.651 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.737 2.024 29.965 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.295 0.689 31.001 1.00 1.00 H new ATOM 0 HG13 VAL A 53 46.140 2.255 31.034 1.00 1.00 H new ATOM 0 HG21 VAL A 53 46.111 2.746 28.008 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.515 2.975 29.077 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.648 1.924 27.647 1.00 1.00 H new ATOM 791 N PHE A 54 47.241 -1.976 30.088 1.00 1.00 N ATOM 792 CA PHE A 54 46.824 -3.196 30.778 1.00 1.00 C ATOM 793 C PHE A 54 47.873 -4.294 30.623 1.00 1.00 C ATOM 794 O PHE A 54 47.664 -5.427 31.059 1.00 1.00 O ATOM 795 CB PHE A 54 45.490 -3.682 30.210 1.00 1.00 C ATOM 796 CG PHE A 54 44.387 -2.740 30.631 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.949 -2.727 31.960 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.803 -1.881 29.693 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.925 -1.855 32.351 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.780 -1.009 30.084 1.00 1.00 C ATOM 801 CZ PHE A 54 42.342 -0.996 31.413 1.00 1.00 C ATOM 0 H PHE A 54 47.452 -2.100 29.098 1.00 1.00 H new ATOM 0 HA PHE A 54 46.712 -2.968 31.838 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.543 -3.733 29.122 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.277 -4.690 30.566 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.400 -3.389 32.684 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.142 -1.891 28.667 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.586 -1.846 33.376 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.329 -0.346 29.360 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.553 -0.323 31.715 1.00 1.00 H new ATOM 811 N ARG A 55 48.997 -3.956 30.002 1.00 1.00 N ATOM 812 CA ARG A 55 50.066 -4.929 29.799 1.00 1.00 C ATOM 813 C ARG A 55 51.041 -4.908 30.968 1.00 1.00 C ATOM 814 O ARG A 55 51.496 -5.954 31.429 1.00 1.00 O ATOM 815 CB ARG A 55 50.824 -4.616 28.509 1.00 1.00 C ATOM 816 CG ARG A 55 51.619 -5.844 28.072 1.00 1.00 C ATOM 817 CD ARG A 55 50.763 -6.708 27.140 1.00 1.00 C ATOM 818 NE ARG A 55 51.123 -8.108 27.290 1.00 1.00 N ATOM 819 CZ ARG A 55 52.128 -8.640 26.602 1.00 1.00 C ATOM 820 NH1 ARG A 55 52.821 -7.901 25.779 1.00 1.00 N ATOM 821 NH2 ARG A 55 52.422 -9.904 26.749 1.00 1.00 N ATOM 0 H ARG A 55 49.192 -3.025 29.633 1.00 1.00 H new ATOM 0 HA ARG A 55 49.614 -5.919 29.729 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.124 -4.325 27.725 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.496 -3.772 28.666 1.00 1.00 H new ATOM 0 HG2 ARG A 55 52.532 -5.536 27.562 1.00 1.00 H new ATOM 0 HG3 ARG A 55 51.922 -6.423 28.945 1.00 1.00 H new ATOM 0 HD2 ARG A 55 49.707 -6.569 27.370 1.00 1.00 H new ATOM 0 HD3 ARG A 55 50.908 -6.396 26.106 1.00 1.00 H new ATOM 0 HE ARG A 55 50.594 -8.694 27.936 1.00 1.00 H new ATOM 0 HH11 ARG A 55 52.592 -6.914 25.663 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.592 -8.311 25.252 1.00 1.00 H new ATOM 0 HH21 ARG A 55 51.880 -10.482 27.391 1.00 1.00 H new ATOM 0 HH22 ARG A 55 53.193 -10.313 26.221 1.00 1.00 H new ATOM 835 N LYS A 56 51.363 -3.709 31.439 1.00 1.00 N ATOM 836 CA LYS A 56 52.292 -3.567 32.551 1.00 1.00 C ATOM 837 C LYS A 56 51.589 -3.855 33.873 1.00 1.00 C ATOM 838 O LYS A 56 52.051 -4.675 34.667 1.00 1.00 O ATOM 839 CB LYS A 56 52.875 -2.149 32.581 1.00 1.00 C ATOM 840 CG LYS A 56 53.033 -1.608 31.155 1.00 1.00 C ATOM 841 CD LYS A 56 53.923 -2.546 30.331 1.00 1.00 C ATOM 842 CE LYS A 56 54.150 -1.949 28.940 1.00 1.00 C ATOM 843 NZ LYS A 56 55.611 -1.915 28.646 1.00 1.00 N ATOM 0 H LYS A 56 50.998 -2.830 31.072 1.00 1.00 H new ATOM 0 HA LYS A 56 53.101 -4.285 32.413 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.222 -1.492 33.156 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.842 -2.157 33.084 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.055 -1.514 30.683 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.471 -0.610 31.183 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.878 -2.693 30.835 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.454 -3.526 30.245 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.631 -2.543 28.188 1.00 1.00 H new ATOM 0 HE3 LYS A 56 53.735 -0.942 28.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 55.766 -1.509 27.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.095 -1.330 29.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.993 -2.882 28.675 1.00 1.00 H new ATOM 857 N LYS A 57 50.470 -3.176 34.104 1.00 1.00 N ATOM 858 CA LYS A 57 49.711 -3.368 35.334 1.00 1.00 C ATOM 859 C LYS A 57 49.199 -4.801 35.429 1.00 1.00 C ATOM 860 O LYS A 57 48.527 -5.168 36.393 1.00 1.00 O ATOM 861 CB LYS A 57 48.528 -2.398 35.374 1.00 1.00 C ATOM 862 CG LYS A 57 48.915 -1.091 34.680 1.00 1.00 C ATOM 863 CD LYS A 57 48.097 0.061 35.267 1.00 1.00 C ATOM 864 CE LYS A 57 46.606 -0.255 35.140 1.00 1.00 C ATOM 865 NZ LYS A 57 46.132 -0.925 36.385 1.00 1.00 N ATOM 0 H LYS A 57 50.071 -2.493 33.460 1.00 1.00 H new ATOM 0 HA LYS A 57 50.370 -3.173 36.180 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.663 -2.842 34.880 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.240 -2.202 36.407 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.980 -0.899 34.811 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.735 -1.169 33.608 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.360 0.211 36.314 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.329 0.989 34.744 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.042 0.662 34.971 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.432 -0.900 34.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.212 -0.528 36.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.031 -1.946 36.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 46.822 -0.769 37.147 1.00 1.00 H new ATOM 879 N GLY A 58 49.522 -5.607 34.422 1.00 1.00 N ATOM 880 CA GLY A 58 49.089 -7.000 34.404 1.00 1.00 C ATOM 881 C GLY A 58 49.316 -7.621 33.030 1.00 1.00 C ATOM 882 O GLY A 58 48.505 -7.449 32.119 1.00 1.00 O ATOM 0 H GLY A 58 50.077 -5.323 33.615 1.00 1.00 H new ATOM 0 HA2 GLY A 58 49.636 -7.565 35.158 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.032 -7.060 34.665 1.00 1.00 H new ATOM 886 N HIS A 59 50.422 -8.342 32.887 1.00 1.00 N ATOM 887 CA HIS A 59 50.746 -8.985 31.618 1.00 1.00 C ATOM 888 C HIS A 59 49.497 -9.605 30.998 1.00 1.00 C ATOM 889 O HIS A 59 49.395 -9.729 29.778 1.00 1.00 O ATOM 890 CB HIS A 59 51.803 -10.068 31.836 1.00 1.00 C ATOM 891 CG HIS A 59 52.920 -9.882 30.847 1.00 1.00 C ATOM 892 ND1 HIS A 59 54.044 -9.092 30.870 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 52.962 -10.564 29.641 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 54.771 -9.280 29.697 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 54.075 -10.176 28.993 1.00 1.00 N flip ATOM 0 H HIS A 59 51.106 -8.496 33.628 1.00 1.00 H new ATOM 0 HA HIS A 59 51.138 -8.229 30.938 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.191 -10.014 32.853 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.358 -11.056 31.717 1.00 1.00 H new ATOM 0 HD1 HIS A 59 54.306 -8.464 31.630 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.233 -11.278 29.286 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.699 -8.803 29.417 1.00 1.00 H new ATOM 903 N HIS A 60 48.551 -9.992 31.847 1.00 1.00 N ATOM 904 CA HIS A 60 47.313 -10.598 31.371 1.00 1.00 C ATOM 905 C HIS A 60 46.120 -10.062 32.156 1.00 1.00 C ATOM 906 O HIS A 60 45.186 -9.504 31.580 1.00 1.00 O ATOM 907 CB HIS A 60 47.384 -12.119 31.520 1.00 1.00 C ATOM 908 CG HIS A 60 46.084 -12.631 32.074 1.00 1.00 C ATOM 909 ND1 HIS A 60 45.663 -12.868 33.359 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 45.015 -12.969 31.259 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 44.357 -13.345 33.344 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 44.014 -13.387 32.055 1.00 1.00 N flip ATOM 0 H HIS A 60 48.617 -9.898 32.861 1.00 1.00 H new ATOM 0 HA HIS A 60 47.186 -10.343 30.319 1.00 1.00 H new ATOM 0 HB2 HIS A 60 47.586 -12.580 30.553 1.00 1.00 H new ATOM 0 HB3 HIS A 60 48.206 -12.392 32.182 1.00 1.00 H new ATOM 0 HD2 HIS A 60 44.990 -12.908 30.181 1.00 1.00 H new ATOM 0 HE1 HIS A 60 43.750 -13.622 34.193 1.00 1.00 H new ATOM 0 HE2 HIS A 60 43.104 -13.698 31.715 1.00 1.00 H new ATOM 920 N HIS A 61 46.159 -10.235 33.474 1.00 1.00 N ATOM 921 CA HIS A 61 45.079 -9.765 34.332 1.00 1.00 C ATOM 922 C HIS A 61 45.185 -10.400 35.715 1.00 1.00 C ATOM 923 O HIS A 61 44.923 -11.591 35.883 1.00 1.00 O ATOM 924 CB HIS A 61 43.724 -10.113 33.709 1.00 1.00 C ATOM 925 CG HIS A 61 42.716 -10.354 34.798 1.00 1.00 C ATOM 926 ND1 HIS A 61 42.425 -9.662 35.948 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 41.847 -11.434 34.776 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 41.394 -10.301 36.630 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 41.082 -11.362 35.880 1.00 1.00 N flip ATOM 0 H HIS A 61 46.923 -10.695 33.968 1.00 1.00 H new ATOM 0 HA HIS A 61 45.162 -8.683 34.432 1.00 1.00 H new ATOM 0 HB2 HIS A 61 43.390 -9.301 33.063 1.00 1.00 H new ATOM 0 HB3 HIS A 61 43.817 -11.000 33.083 1.00 1.00 H new ATOM 0 HD2 HIS A 61 41.794 -12.195 34.011 1.00 1.00 H new ATOM 0 HE1 HIS A 61 40.943 -10.003 37.565 1.00 1.00 H new ATOM 0 HE2 HIS A 61 40.353 -12.035 36.116 1.00 1.00 H new ATOM 937 N HIS A 62 45.571 -9.598 36.701 1.00 1.00 N ATOM 938 CA HIS A 62 45.708 -10.093 38.066 1.00 1.00 C ATOM 939 C HIS A 62 44.498 -9.696 38.904 1.00 1.00 C ATOM 940 O HIS A 62 43.360 -9.761 38.439 1.00 1.00 O ATOM 941 CB HIS A 62 46.979 -9.527 38.702 1.00 1.00 C ATOM 942 CG HIS A 62 47.401 -10.406 39.846 1.00 1.00 C ATOM 943 ND1 HIS A 62 46.711 -11.318 40.606 1.00 1.00 N flip ATOM 944 CD2 HIS A 62 48.697 -10.409 40.338 1.00 1.00 C flip ATOM 945 CE1 HIS A 62 47.562 -11.878 41.554 1.00 1.00 C flip ATOM 946 NE2 HIS A 62 48.746 -11.295 41.350 1.00 1.00 N flip ATOM 0 H HIS A 62 45.793 -8.610 36.583 1.00 1.00 H new ATOM 0 HA HIS A 62 45.772 -11.181 38.033 1.00 1.00 H new ATOM 0 HB2 HIS A 62 47.775 -9.470 37.960 1.00 1.00 H new ATOM 0 HB3 HIS A 62 46.800 -8.512 39.056 1.00 1.00 H new ATOM 0 HD2 HIS A 62 49.518 -9.809 39.975 1.00 1.00 H new ATOM 0 HE1 HIS A 62 47.317 -12.624 42.296 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.585 -11.496 41.894 1.00 1.00 H new ATOM 954 N HIS A 63 44.751 -9.283 40.143 1.00 1.00 N ATOM 955 CA HIS A 63 43.673 -8.877 41.036 1.00 1.00 C ATOM 956 C HIS A 63 44.083 -7.654 41.850 1.00 1.00 C ATOM 957 O HIS A 63 44.700 -7.778 42.907 1.00 1.00 O ATOM 958 CB HIS A 63 43.318 -10.026 41.983 1.00 1.00 C ATOM 959 CG HIS A 63 42.201 -10.839 41.389 1.00 1.00 C ATOM 960 ND1 HIS A 63 40.941 -10.897 41.965 1.00 1.00 N ATOM 961 CD2 HIS A 63 42.137 -11.631 40.270 1.00 1.00 C ATOM 962 CE1 HIS A 63 40.180 -11.699 41.199 1.00 1.00 C ATOM 963 NE2 HIS A 63 40.861 -12.173 40.152 1.00 1.00 N ATOM 0 H HIS A 63 45.685 -9.221 40.548 1.00 1.00 H new ATOM 0 HA HIS A 63 42.803 -8.622 40.431 1.00 1.00 H new ATOM 0 HB2 HIS A 63 44.191 -10.656 42.151 1.00 1.00 H new ATOM 0 HB3 HIS A 63 43.018 -9.632 42.954 1.00 1.00 H new ATOM 0 HD2 HIS A 63 42.953 -11.807 39.585 1.00 1.00 H new ATOM 0 HE1 HIS A 63 39.146 -11.931 41.405 1.00 1.00 H new ATOM 0 HE2 HIS A 63 40.519 -12.798 39.422 1.00 1.00 H new ATOM 971 N HIS A 64 43.735 -6.473 41.348 1.00 1.00 N ATOM 972 CA HIS A 64 44.072 -5.232 42.037 1.00 1.00 C ATOM 973 C HIS A 64 43.508 -5.236 43.454 1.00 1.00 C ATOM 974 O HIS A 64 42.296 -5.195 43.588 1.00 1.00 O ATOM 975 CB HIS A 64 43.510 -4.037 41.265 1.00 1.00 C ATOM 976 CG HIS A 64 43.837 -4.184 39.805 1.00 1.00 C ATOM 977 ND1 HIS A 64 42.951 -3.812 38.807 1.00 1.00 N ATOM 978 CD2 HIS A 64 44.951 -4.662 39.158 1.00 1.00 C ATOM 979 CE1 HIS A 64 43.539 -4.068 37.624 1.00 1.00 C ATOM 980 NE2 HIS A 64 44.759 -4.588 37.780 1.00 1.00 N ATOM 981 OXT HIS A 64 44.297 -5.278 44.384 1.00 1.00 O ATOM 0 H HIS A 64 43.224 -6.349 40.474 1.00 1.00 H new ATOM 0 HA HIS A 64 45.158 -5.151 42.091 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.430 -3.977 41.402 1.00 1.00 H new ATOM 0 HB3 HIS A 64 43.933 -3.110 41.652 1.00 1.00 H new ATOM 0 HD2 HIS A 64 45.840 -5.038 39.643 1.00 1.00 H new ATOM 0 HE1 HIS A 64 43.080 -3.876 36.665 1.00 1.00 H new ATOM 0 HE2 HIS A 64 45.410 -4.870 37.048 1.00 1.00 H new TER 989 HIS A 64