USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 59 HIS : no HD1:sc= -1.86 K(o=-3.3,f=-8.6!) USER MOD Set 1.2: A 60 HIS :FLIP no HE2:sc= -1.44 F(o=-5.2,f=-3.3) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -0.764 USER MOD Set 2.2: A 27 SER OG : rot 176:sc= 0.518 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= -0.0838 (180deg=-1.17!) USER MOD Single : A 9 ASN : amide:sc= -0.559! X(o=-0.56!,f=-0.17) 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=-0.084) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.289 F(o=-3.6!,f=0.29) USER MOD Single : A 17 SER OG : rot 57:sc= 1.03 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 89:sc= -0.644! USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.214 (180deg=-1.06) 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 -170:sc= -0.624! USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 46 ASN : amide:sc= -0.818 K(o=-0.82,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00179 X(o=-0.0018,f=-0.11) USER MOD Single : A 62 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.043) USER MOD Single : A 63 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.21) USER MOD Single : A 64 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 37.048 -19.652 -15.804 1.00 1.00 N ATOM 2 CA MET A 1 38.444 -19.528 -16.309 1.00 1.00 C ATOM 3 C MET A 1 39.418 -19.647 -15.142 1.00 1.00 C ATOM 4 O MET A 1 39.014 -19.622 -13.979 1.00 1.00 O ATOM 5 CB MET A 1 38.616 -18.172 -16.997 1.00 1.00 C ATOM 6 CG MET A 1 38.336 -17.052 -15.993 1.00 1.00 C ATOM 7 SD MET A 1 37.250 -15.819 -16.754 1.00 1.00 S ATOM 8 CE MET A 1 37.854 -14.384 -15.831 1.00 1.00 C ATOM 0 H1 MET A 1 36.462 -18.896 -16.213 1.00 1.00 H new ATOM 0 H2 MET A 1 36.660 -20.577 -16.079 1.00 1.00 H new ATOM 0 H3 MET A 1 37.045 -19.570 -14.767 1.00 1.00 H new ATOM 0 HA MET A 1 38.648 -20.323 -17.027 1.00 1.00 H new ATOM 0 HB2 MET A 1 39.628 -18.078 -17.391 1.00 1.00 H new ATOM 0 HB3 MET A 1 37.936 -18.093 -17.845 1.00 1.00 H new ATOM 0 HG2 MET A 1 37.869 -17.460 -15.097 1.00 1.00 H new ATOM 0 HG3 MET A 1 39.271 -16.586 -15.681 1.00 1.00 H new ATOM 0 HE1 MET A 1 37.311 -13.493 -16.147 1.00 1.00 H new ATOM 0 HE2 MET A 1 37.697 -14.545 -14.764 1.00 1.00 H new ATOM 0 HE3 MET A 1 38.918 -14.248 -16.025 1.00 1.00 H new ATOM 20 N GLU A 2 40.702 -19.777 -15.459 1.00 1.00 N ATOM 21 CA GLU A 2 41.725 -19.900 -14.427 1.00 1.00 C ATOM 22 C GLU A 2 42.418 -18.561 -14.198 1.00 1.00 C ATOM 23 O GLU A 2 43.593 -18.513 -13.835 1.00 1.00 O ATOM 24 CB GLU A 2 42.759 -20.948 -14.840 1.00 1.00 C ATOM 25 CG GLU A 2 42.050 -22.262 -15.175 1.00 1.00 C ATOM 26 CD GLU A 2 42.655 -23.403 -14.364 1.00 1.00 C ATOM 27 OE1 GLU A 2 43.847 -23.627 -14.492 1.00 1.00 O ATOM 28 OE2 GLU A 2 41.917 -24.035 -13.627 1.00 1.00 O ATOM 0 H GLU A 2 41.057 -19.800 -16.415 1.00 1.00 H new ATOM 0 HA GLU A 2 41.244 -20.210 -13.499 1.00 1.00 H new ATOM 0 HB2 GLU A 2 43.323 -20.597 -15.704 1.00 1.00 H new ATOM 0 HB3 GLU A 2 43.475 -21.105 -14.034 1.00 1.00 H new ATOM 0 HG2 GLU A 2 40.985 -22.176 -14.958 1.00 1.00 H new ATOM 0 HG3 GLU A 2 42.142 -22.473 -16.240 1.00 1.00 H new ATOM 35 N GLU A 3 41.682 -17.474 -14.412 1.00 1.00 N ATOM 36 CA GLU A 3 42.237 -16.139 -14.226 1.00 1.00 C ATOM 37 C GLU A 3 43.576 -16.010 -14.945 1.00 1.00 C ATOM 38 O GLU A 3 44.597 -15.712 -14.326 1.00 1.00 O ATOM 39 CB GLU A 3 42.427 -15.856 -12.735 1.00 1.00 C ATOM 40 CG GLU A 3 41.153 -16.232 -11.977 1.00 1.00 C ATOM 41 CD GLU A 3 40.823 -15.157 -10.946 1.00 1.00 C ATOM 42 OE1 GLU A 3 41.445 -15.159 -9.897 1.00 1.00 O ATOM 43 OE2 GLU A 3 39.952 -14.348 -11.221 1.00 1.00 O ATOM 0 H GLU A 3 40.707 -17.491 -14.712 1.00 1.00 H new ATOM 0 HA GLU A 3 41.540 -15.414 -14.647 1.00 1.00 H new ATOM 0 HB2 GLU A 3 43.273 -16.426 -12.351 1.00 1.00 H new ATOM 0 HB3 GLU A 3 42.657 -14.802 -12.581 1.00 1.00 H new ATOM 0 HG2 GLU A 3 40.324 -16.344 -12.676 1.00 1.00 H new ATOM 0 HG3 GLU A 3 41.285 -17.194 -11.482 1.00 1.00 H new ATOM 50 N GLY A 4 43.564 -16.237 -16.254 1.00 1.00 N ATOM 51 CA GLY A 4 44.784 -16.143 -17.048 1.00 1.00 C ATOM 52 C GLY A 4 44.491 -15.567 -18.430 1.00 1.00 C ATOM 53 O GLY A 4 44.863 -14.432 -18.729 1.00 1.00 O ATOM 0 H GLY A 4 42.729 -16.486 -16.785 1.00 1.00 H new ATOM 0 HA2 GLY A 4 45.510 -15.513 -16.534 1.00 1.00 H new ATOM 0 HA3 GLY A 4 45.234 -17.131 -17.149 1.00 1.00 H new ATOM 57 N GLY A 5 43.826 -16.356 -19.265 1.00 1.00 N ATOM 58 CA GLY A 5 43.489 -15.913 -20.614 1.00 1.00 C ATOM 59 C GLY A 5 44.667 -15.190 -21.258 1.00 1.00 C ATOM 60 O GLY A 5 45.747 -15.758 -21.415 1.00 1.00 O ATOM 0 H GLY A 5 43.511 -17.299 -19.035 1.00 1.00 H new ATOM 0 HA2 GLY A 5 43.207 -16.772 -21.223 1.00 1.00 H new ATOM 0 HA3 GLY A 5 42.625 -15.249 -20.578 1.00 1.00 H new ATOM 64 N ASP A 6 44.450 -13.932 -21.630 1.00 1.00 N ATOM 65 CA ASP A 6 45.500 -13.140 -22.258 1.00 1.00 C ATOM 66 C ASP A 6 45.424 -11.687 -21.797 1.00 1.00 C ATOM 67 O ASP A 6 46.048 -10.805 -22.387 1.00 1.00 O ATOM 68 CB ASP A 6 45.364 -13.202 -23.780 1.00 1.00 C ATOM 69 CG ASP A 6 45.944 -14.512 -24.302 1.00 1.00 C ATOM 70 OD1 ASP A 6 45.473 -15.555 -23.882 1.00 1.00 O ATOM 71 OD2 ASP A 6 46.853 -14.452 -25.115 1.00 1.00 O ATOM 0 H ASP A 6 43.563 -13.443 -21.508 1.00 1.00 H new ATOM 0 HA ASP A 6 46.465 -13.553 -21.964 1.00 1.00 H new ATOM 0 HB2 ASP A 6 44.315 -13.121 -24.063 1.00 1.00 H new ATOM 0 HB3 ASP A 6 45.883 -12.358 -24.235 1.00 1.00 H new ATOM 76 N PHE A 7 44.655 -11.447 -20.740 1.00 1.00 N ATOM 77 CA PHE A 7 44.504 -10.097 -20.210 1.00 1.00 C ATOM 78 C PHE A 7 44.521 -10.116 -18.684 1.00 1.00 C ATOM 79 O PHE A 7 43.720 -9.442 -18.036 1.00 1.00 O ATOM 80 CB PHE A 7 43.189 -9.487 -20.699 1.00 1.00 C ATOM 81 CG PHE A 7 43.344 -7.990 -20.823 1.00 1.00 C ATOM 82 CD1 PHE A 7 44.069 -7.447 -21.890 1.00 1.00 C ATOM 83 CD2 PHE A 7 42.761 -7.146 -19.870 1.00 1.00 C ATOM 84 CE1 PHE A 7 44.213 -6.059 -22.004 1.00 1.00 C ATOM 85 CE2 PHE A 7 42.905 -5.757 -19.985 1.00 1.00 C ATOM 86 CZ PHE A 7 43.631 -5.215 -21.052 1.00 1.00 C ATOM 0 H PHE A 7 44.131 -12.163 -20.237 1.00 1.00 H new ATOM 0 HA PHE A 7 45.339 -9.492 -20.565 1.00 1.00 H new ATOM 0 HB2 PHE A 7 42.913 -9.916 -21.662 1.00 1.00 H new ATOM 0 HB3 PHE A 7 42.385 -9.724 -20.002 1.00 1.00 H new ATOM 0 HD1 PHE A 7 44.517 -8.099 -22.625 1.00 1.00 H new ATOM 0 HD2 PHE A 7 42.201 -7.565 -19.047 1.00 1.00 H new ATOM 0 HE1 PHE A 7 44.773 -5.640 -22.827 1.00 1.00 H new ATOM 0 HE2 PHE A 7 42.456 -5.105 -19.251 1.00 1.00 H new ATOM 0 HZ PHE A 7 43.742 -4.144 -21.140 1.00 1.00 H new ATOM 96 N ASP A 8 45.438 -10.894 -18.117 1.00 1.00 N ATOM 97 CA ASP A 8 45.550 -10.992 -16.667 1.00 1.00 C ATOM 98 C ASP A 8 47.003 -11.208 -16.254 1.00 1.00 C ATOM 99 O ASP A 8 47.325 -12.170 -15.560 1.00 1.00 O ATOM 100 CB ASP A 8 44.696 -12.154 -16.155 1.00 1.00 C ATOM 101 CG ASP A 8 44.799 -12.249 -14.636 1.00 1.00 C ATOM 102 OD1 ASP A 8 45.043 -11.228 -14.014 1.00 1.00 O ATOM 103 OD2 ASP A 8 44.634 -13.340 -14.118 1.00 1.00 O ATOM 0 H ASP A 8 46.109 -11.461 -18.635 1.00 1.00 H new ATOM 0 HA ASP A 8 45.195 -10.058 -16.231 1.00 1.00 H new ATOM 0 HB2 ASP A 8 43.656 -12.009 -16.449 1.00 1.00 H new ATOM 0 HB3 ASP A 8 45.028 -13.088 -16.609 1.00 1.00 H new ATOM 108 N ASN A 9 47.875 -10.303 -16.688 1.00 1.00 N ATOM 109 CA ASN A 9 49.292 -10.404 -16.358 1.00 1.00 C ATOM 110 C ASN A 9 49.915 -9.017 -16.244 1.00 1.00 C ATOM 111 O ASN A 9 50.856 -8.809 -15.477 1.00 1.00 O ATOM 112 CB ASN A 9 50.023 -11.207 -17.435 1.00 1.00 C ATOM 113 CG ASN A 9 51.314 -11.786 -16.866 1.00 1.00 C ATOM 114 OD1 ASN A 9 51.911 -12.681 -17.465 1.00 1.00 O ATOM 115 ND2 ASN A 9 51.784 -11.327 -15.738 1.00 1.00 N ATOM 0 H ASN A 9 47.628 -9.498 -17.264 1.00 1.00 H new ATOM 0 HA ASN A 9 49.387 -10.913 -15.399 1.00 1.00 H new ATOM 0 HB2 ASN A 9 49.383 -12.011 -17.798 1.00 1.00 H new ATOM 0 HB3 ASN A 9 50.247 -10.567 -18.289 1.00 1.00 H new ATOM 0 HD21 ASN A 9 52.647 -11.710 -15.352 1.00 1.00 H new ATOM 0 HD22 ASN A 9 51.288 -10.586 -15.243 1.00 1.00 H new ATOM 122 N TYR A 10 49.385 -8.070 -17.011 1.00 1.00 N ATOM 123 CA TYR A 10 49.898 -6.705 -16.988 1.00 1.00 C ATOM 124 C TYR A 10 49.276 -5.918 -15.839 1.00 1.00 C ATOM 125 O TYR A 10 49.729 -4.823 -15.507 1.00 1.00 O ATOM 126 CB TYR A 10 49.586 -6.007 -18.313 1.00 1.00 C ATOM 127 CG TYR A 10 49.605 -4.511 -18.112 1.00 1.00 C ATOM 128 CD1 TYR A 10 50.813 -3.808 -18.199 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.415 -3.827 -17.838 1.00 1.00 C ATOM 130 CE1 TYR A 10 50.830 -2.421 -18.012 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.432 -2.440 -17.651 1.00 1.00 C ATOM 132 CZ TYR A 10 49.640 -1.737 -17.739 1.00 1.00 C ATOM 133 OH TYR A 10 49.656 -0.369 -17.554 1.00 1.00 O ATOM 0 H TYR A 10 48.606 -8.221 -17.652 1.00 1.00 H new ATOM 0 HA TYR A 10 50.978 -6.746 -16.844 1.00 1.00 H new ATOM 0 HB2 TYR A 10 50.319 -6.292 -19.068 1.00 1.00 H new ATOM 0 HB3 TYR A 10 48.610 -6.323 -18.681 1.00 1.00 H new ATOM 0 HD1 TYR A 10 51.731 -4.336 -18.410 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.484 -4.370 -17.771 1.00 1.00 H new ATOM 0 HE1 TYR A 10 51.762 -1.879 -18.078 1.00 1.00 H new ATOM 0 HE2 TYR A 10 47.514 -1.912 -17.439 1.00 1.00 H new ATOM 0 HH TYR A 10 48.746 -0.052 -17.375 1.00 1.00 H new ATOM 143 N TYR A 11 48.237 -6.484 -15.235 1.00 1.00 N ATOM 144 CA TYR A 11 47.560 -5.828 -14.123 1.00 1.00 C ATOM 145 C TYR A 11 48.507 -5.670 -12.937 1.00 1.00 C ATOM 146 O TYR A 11 48.436 -6.427 -11.969 1.00 1.00 O ATOM 147 CB TYR A 11 46.338 -6.643 -13.698 1.00 1.00 C ATOM 148 CG TYR A 11 45.123 -6.164 -14.456 1.00 1.00 C ATOM 149 CD1 TYR A 11 45.202 -5.945 -15.837 1.00 1.00 C ATOM 150 CD2 TYR A 11 43.920 -5.938 -13.778 1.00 1.00 C ATOM 151 CE1 TYR A 11 44.076 -5.499 -16.540 1.00 1.00 C ATOM 152 CE2 TYR A 11 42.794 -5.493 -14.481 1.00 1.00 C ATOM 153 CZ TYR A 11 42.872 -5.273 -15.861 1.00 1.00 C ATOM 154 OH TYR A 11 41.761 -4.834 -16.554 1.00 1.00 O ATOM 0 H TYR A 11 47.847 -7.390 -15.495 1.00 1.00 H new ATOM 0 HA TYR A 11 47.239 -4.840 -14.452 1.00 1.00 H new ATOM 0 HB2 TYR A 11 46.508 -7.702 -13.894 1.00 1.00 H new ATOM 0 HB3 TYR A 11 46.174 -6.540 -12.625 1.00 1.00 H new ATOM 0 HD1 TYR A 11 46.131 -6.120 -16.360 1.00 1.00 H new ATOM 0 HD2 TYR A 11 43.860 -6.107 -12.713 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.136 -5.329 -17.605 1.00 1.00 H new ATOM 0 HE2 TYR A 11 41.865 -5.319 -13.958 1.00 1.00 H new ATOM 0 HH TYR A 11 41.009 -4.728 -15.934 1.00 1.00 H new ATOM 164 N GLY A 12 49.393 -4.683 -13.019 1.00 1.00 N ATOM 165 CA GLY A 12 50.349 -4.436 -11.946 1.00 1.00 C ATOM 166 C GLY A 12 51.605 -3.759 -12.482 1.00 1.00 C ATOM 167 O GLY A 12 51.798 -2.556 -12.302 1.00 1.00 O ATOM 0 H GLY A 12 49.469 -4.045 -13.811 1.00 1.00 H new ATOM 0 HA2 GLY A 12 49.890 -3.808 -11.182 1.00 1.00 H new ATOM 0 HA3 GLY A 12 50.615 -5.378 -11.467 1.00 1.00 H new ATOM 171 N ALA A 13 52.457 -4.538 -13.140 1.00 1.00 N ATOM 172 CA ALA A 13 53.692 -4.002 -13.699 1.00 1.00 C ATOM 173 C ALA A 13 54.255 -4.943 -14.759 1.00 1.00 C ATOM 174 O ALA A 13 54.786 -4.500 -15.777 1.00 1.00 O ATOM 175 CB ALA A 13 54.726 -3.807 -12.587 1.00 1.00 C ATOM 0 H ALA A 13 52.316 -5.536 -13.298 1.00 1.00 H new ATOM 0 HA ALA A 13 53.471 -3.041 -14.164 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.646 -3.406 -13.012 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.335 -3.110 -11.845 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.933 -4.765 -12.111 1.00 1.00 H new ATOM 181 N ASP A 14 54.134 -6.243 -14.513 1.00 1.00 N ATOM 182 CA ASP A 14 54.633 -7.239 -15.454 1.00 1.00 C ATOM 183 C ASP A 14 56.154 -7.330 -15.380 1.00 1.00 C ATOM 184 O ASP A 14 56.794 -7.910 -16.257 1.00 1.00 O ATOM 185 CB ASP A 14 54.212 -6.870 -16.878 1.00 1.00 C ATOM 186 CG ASP A 14 53.932 -8.135 -17.683 1.00 1.00 C ATOM 187 OD1 ASP A 14 54.581 -9.134 -17.422 1.00 1.00 O ATOM 188 OD2 ASP A 14 53.074 -8.084 -18.548 1.00 1.00 O ATOM 0 H ASP A 14 53.698 -6.630 -13.676 1.00 1.00 H new ATOM 0 HA ASP A 14 54.208 -8.207 -15.189 1.00 1.00 H new ATOM 0 HB2 ASP A 14 53.322 -6.241 -16.852 1.00 1.00 H new ATOM 0 HB3 ASP A 14 54.998 -6.289 -17.360 1.00 1.00 H new ATOM 193 N ASN A 15 56.727 -6.754 -14.328 1.00 1.00 N ATOM 194 CA ASN A 15 58.174 -6.776 -14.150 1.00 1.00 C ATOM 195 C ASN A 15 58.878 -6.351 -15.434 1.00 1.00 C ATOM 196 O ASN A 15 59.182 -7.180 -16.292 1.00 1.00 O ATOM 197 CB ASN A 15 58.630 -8.183 -13.759 1.00 1.00 C ATOM 198 CG ASN A 15 57.661 -8.782 -12.745 1.00 1.00 C ATOM 199 OD1 ASN A 15 57.281 -8.118 -11.779 1.00 1.00 O ATOM 200 ND2 ASN A 15 57.234 -10.004 -12.907 1.00 1.00 N ATOM 0 H ASN A 15 56.215 -6.269 -13.591 1.00 1.00 H new ATOM 0 HA ASN A 15 58.434 -6.075 -13.357 1.00 1.00 H new ATOM 0 HB2 ASN A 15 58.681 -8.817 -14.644 1.00 1.00 H new ATOM 0 HB3 ASN A 15 59.634 -8.145 -13.336 1.00 1.00 H new ATOM 0 HD21 ASN A 15 56.585 -10.411 -12.234 1.00 1.00 H new ATOM 0 HD22 ASN A 15 57.549 -10.553 -13.707 1.00 1.00 H new ATOM 207 N GLN A 16 59.135 -5.052 -15.561 1.00 1.00 N ATOM 208 CA GLN A 16 59.805 -4.528 -16.745 1.00 1.00 C ATOM 209 C GLN A 16 61.242 -5.034 -16.817 1.00 1.00 C ATOM 210 O GLN A 16 61.863 -5.019 -17.879 1.00 1.00 O ATOM 211 CB GLN A 16 59.801 -2.998 -16.712 1.00 1.00 C ATOM 212 CG GLN A 16 58.375 -2.495 -16.486 1.00 1.00 C ATOM 213 CD GLN A 16 58.275 -1.800 -15.132 1.00 1.00 C ATOM 214 OE1 GLN A 16 58.614 -2.447 -14.052 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 57.877 -0.638 -15.058 1.00 1.00 N flip ATOM 0 H GLN A 16 58.891 -4.348 -14.864 1.00 1.00 H new ATOM 0 HA GLN A 16 59.267 -4.874 -17.627 1.00 1.00 H new ATOM 0 HB2 GLN A 16 60.454 -2.639 -15.917 1.00 1.00 H new ATOM 0 HB3 GLN A 16 60.193 -2.603 -17.649 1.00 1.00 H new ATOM 0 HG2 GLN A 16 58.094 -1.803 -17.280 1.00 1.00 H new ATOM 0 HG3 GLN A 16 57.675 -3.330 -16.528 1.00 1.00 H new ATOM 0 HE21 GLN A 16 57.613 -0.135 -15.905 1.00 1.00 H new ATOM 0 HE22 GLN A 16 57.812 -0.178 -14.150 1.00 1.00 H new ATOM 224 N SER A 17 61.763 -5.483 -15.680 1.00 1.00 N ATOM 225 CA SER A 17 63.129 -5.992 -15.626 1.00 1.00 C ATOM 226 C SER A 17 63.486 -6.417 -14.205 1.00 1.00 C ATOM 227 O SER A 17 64.284 -7.334 -14.003 1.00 1.00 O ATOM 228 CB SER A 17 64.106 -4.917 -16.100 1.00 1.00 C ATOM 229 OG SER A 17 64.484 -5.186 -17.444 1.00 1.00 O ATOM 0 H SER A 17 61.265 -5.505 -14.790 1.00 1.00 H new ATOM 0 HA SER A 17 63.200 -6.860 -16.281 1.00 1.00 H new ATOM 0 HB2 SER A 17 63.643 -3.932 -16.030 1.00 1.00 H new ATOM 0 HB3 SER A 17 64.987 -4.901 -15.458 1.00 1.00 H new ATOM 0 HG SER A 17 63.683 -5.228 -18.007 1.00 1.00 H new ATOM 235 N GLU A 18 62.891 -5.745 -13.225 1.00 1.00 N ATOM 236 CA GLU A 18 63.155 -6.063 -11.826 1.00 1.00 C ATOM 237 C GLU A 18 62.550 -7.413 -11.459 1.00 1.00 C ATOM 238 O GLU A 18 62.137 -8.178 -12.332 1.00 1.00 O ATOM 239 CB GLU A 18 62.567 -4.976 -10.924 1.00 1.00 C ATOM 240 CG GLU A 18 61.060 -5.197 -10.774 1.00 1.00 C ATOM 241 CD GLU A 18 60.373 -3.882 -10.420 1.00 1.00 C ATOM 242 OE1 GLU A 18 60.406 -2.980 -11.241 1.00 1.00 O ATOM 243 OE2 GLU A 18 59.824 -3.797 -9.334 1.00 1.00 O ATOM 0 H GLU A 18 62.228 -4.983 -13.371 1.00 1.00 H new ATOM 0 HA GLU A 18 64.234 -6.111 -11.682 1.00 1.00 H new ATOM 0 HB2 GLU A 18 63.048 -5.001 -9.946 1.00 1.00 H new ATOM 0 HB3 GLU A 18 62.760 -3.991 -11.350 1.00 1.00 H new ATOM 0 HG2 GLU A 18 60.648 -5.594 -11.702 1.00 1.00 H new ATOM 0 HG3 GLU A 18 60.868 -5.938 -9.998 1.00 1.00 H new ATOM 250 N CYS A 19 62.500 -7.702 -10.163 1.00 1.00 N ATOM 251 CA CYS A 19 61.943 -8.964 -9.692 1.00 1.00 C ATOM 252 C CYS A 19 62.635 -10.142 -10.371 1.00 1.00 C ATOM 253 O CYS A 19 62.206 -11.288 -10.236 1.00 1.00 O ATOM 254 CB CYS A 19 60.442 -9.014 -9.984 1.00 1.00 C ATOM 255 SG CYS A 19 59.530 -9.190 -8.430 1.00 1.00 S ATOM 0 H CYS A 19 62.836 -7.084 -9.425 1.00 1.00 H new ATOM 0 HA CYS A 19 62.106 -9.032 -8.616 1.00 1.00 H new ATOM 0 HB2 CYS A 19 60.131 -8.106 -10.500 1.00 1.00 H new ATOM 0 HB3 CYS A 19 60.217 -9.850 -10.647 1.00 1.00 H new ATOM 0 HG CYS A 19 58.254 -9.230 -8.678 1.00 1.00 H new ATOM 261 N GLU A 20 63.707 -9.851 -11.101 1.00 1.00 N ATOM 262 CA GLU A 20 64.450 -10.896 -11.796 1.00 1.00 C ATOM 263 C GLU A 20 65.640 -11.354 -10.959 1.00 1.00 C ATOM 264 O GLU A 20 66.790 -11.243 -11.386 1.00 1.00 O ATOM 265 CB GLU A 20 64.944 -10.372 -13.146 1.00 1.00 C ATOM 266 CG GLU A 20 65.229 -11.551 -14.078 1.00 1.00 C ATOM 267 CD GLU A 20 66.376 -11.206 -15.022 1.00 1.00 C ATOM 268 OE1 GLU A 20 67.500 -11.127 -14.552 1.00 1.00 O ATOM 269 OE2 GLU A 20 66.114 -11.026 -16.200 1.00 1.00 O ATOM 0 H GLU A 20 64.078 -8.909 -11.226 1.00 1.00 H new ATOM 0 HA GLU A 20 63.786 -11.745 -11.956 1.00 1.00 H new ATOM 0 HB2 GLU A 20 64.195 -9.717 -13.590 1.00 1.00 H new ATOM 0 HB3 GLU A 20 65.847 -9.777 -13.009 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.483 -12.435 -13.492 1.00 1.00 H new ATOM 0 HG3 GLU A 20 64.335 -11.795 -14.653 1.00 1.00 H new ATOM 276 N TYR A 21 65.356 -11.869 -9.768 1.00 1.00 N ATOM 277 CA TYR A 21 66.411 -12.342 -8.880 1.00 1.00 C ATOM 278 C TYR A 21 66.003 -13.651 -8.212 1.00 1.00 C ATOM 279 O TYR A 21 66.639 -14.096 -7.256 1.00 1.00 O ATOM 280 CB TYR A 21 66.703 -11.290 -7.809 1.00 1.00 C ATOM 281 CG TYR A 21 68.184 -10.995 -7.782 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.745 -10.143 -8.740 1.00 1.00 C ATOM 283 CD2 TYR A 21 68.996 -11.575 -6.799 1.00 1.00 C ATOM 284 CE1 TYR A 21 70.118 -9.871 -8.715 1.00 1.00 C ATOM 285 CE2 TYR A 21 70.369 -11.303 -6.774 1.00 1.00 C ATOM 286 CZ TYR A 21 70.930 -10.450 -7.732 1.00 1.00 C ATOM 287 OH TYR A 21 72.284 -10.181 -7.708 1.00 1.00 O ATOM 0 H TYR A 21 64.411 -11.969 -9.397 1.00 1.00 H new ATOM 0 HA TYR A 21 67.309 -12.515 -9.474 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.144 -10.378 -8.018 1.00 1.00 H new ATOM 0 HB3 TYR A 21 66.375 -11.648 -6.833 1.00 1.00 H new ATOM 0 HD1 TYR A 21 68.119 -9.696 -9.498 1.00 1.00 H new ATOM 0 HD2 TYR A 21 68.563 -12.232 -6.060 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.551 -9.214 -9.455 1.00 1.00 H new ATOM 0 HE2 TYR A 21 70.995 -11.751 -6.016 1.00 1.00 H new ATOM 0 HH TYR A 21 72.700 -10.662 -6.962 1.00 1.00 H new ATOM 297 N THR A 22 64.939 -14.263 -8.721 1.00 1.00 N ATOM 298 CA THR A 22 64.455 -15.522 -8.166 1.00 1.00 C ATOM 299 C THR A 22 63.700 -15.277 -6.863 1.00 1.00 C ATOM 300 O THR A 22 63.800 -16.061 -5.920 1.00 1.00 O ATOM 301 CB THR A 22 65.631 -16.465 -7.907 1.00 1.00 C ATOM 302 OG1 THR A 22 66.709 -16.121 -8.766 1.00 1.00 O ATOM 303 CG2 THR A 22 65.200 -17.907 -8.176 1.00 1.00 C ATOM 0 H THR A 22 64.399 -13.911 -9.511 1.00 1.00 H new ATOM 0 HA THR A 22 63.776 -15.978 -8.886 1.00 1.00 H new ATOM 0 HB THR A 22 65.950 -16.373 -6.869 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.269 -15.444 -8.333 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.039 -18.578 -7.991 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.373 -18.169 -7.516 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.880 -18.004 -9.213 1.00 1.00 H new ATOM 311 N ASP A 23 62.945 -14.183 -6.818 1.00 1.00 N ATOM 312 CA ASP A 23 62.177 -13.845 -5.627 1.00 1.00 C ATOM 313 C ASP A 23 60.823 -13.259 -6.010 1.00 1.00 C ATOM 314 O ASP A 23 60.157 -12.622 -5.195 1.00 1.00 O ATOM 315 CB ASP A 23 62.950 -12.835 -4.777 1.00 1.00 C ATOM 316 CG ASP A 23 64.134 -13.519 -4.100 1.00 1.00 C ATOM 317 OD1 ASP A 23 65.143 -13.700 -4.761 1.00 1.00 O ATOM 318 OD2 ASP A 23 64.013 -13.853 -2.933 1.00 1.00 O ATOM 0 H ASP A 23 62.850 -13.520 -7.588 1.00 1.00 H new ATOM 0 HA ASP A 23 62.015 -14.756 -5.052 1.00 1.00 H new ATOM 0 HB2 ASP A 23 63.303 -12.015 -5.403 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.291 -12.401 -4.025 1.00 1.00 H new ATOM 323 N TRP A 24 60.421 -13.480 -7.258 1.00 1.00 N ATOM 324 CA TRP A 24 59.143 -12.968 -7.740 1.00 1.00 C ATOM 325 C TRP A 24 58.093 -14.075 -7.752 1.00 1.00 C ATOM 326 O TRP A 24 56.977 -13.880 -8.234 1.00 1.00 O ATOM 327 CB TRP A 24 59.306 -12.402 -9.152 1.00 1.00 C ATOM 328 CG TRP A 24 59.552 -13.522 -10.112 1.00 1.00 C ATOM 329 CD1 TRP A 24 60.697 -14.236 -10.193 1.00 1.00 C ATOM 330 CD2 TRP A 24 58.656 -14.066 -11.123 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.562 -15.185 -11.192 1.00 1.00 N ATOM 332 CE2 TRP A 24 59.321 -15.120 -11.794 1.00 1.00 C ATOM 333 CE3 TRP A 24 57.344 -13.752 -11.520 1.00 1.00 C ATOM 334 CZ2 TRP A 24 58.707 -15.836 -12.822 1.00 1.00 C ATOM 335 CZ3 TRP A 24 56.723 -14.470 -12.555 1.00 1.00 C ATOM 336 CH2 TRP A 24 57.402 -15.511 -13.204 1.00 1.00 C ATOM 0 H TRP A 24 60.957 -14.006 -7.949 1.00 1.00 H new ATOM 0 HA TRP A 24 58.813 -12.176 -7.067 1.00 1.00 H new ATOM 0 HB2 TRP A 24 58.411 -11.852 -9.440 1.00 1.00 H new ATOM 0 HB3 TRP A 24 60.136 -11.696 -9.179 1.00 1.00 H new ATOM 0 HD1 TRP A 24 61.573 -14.090 -9.579 1.00 1.00 H new ATOM 0 HE1 TRP A 24 61.290 -15.851 -11.452 1.00 1.00 H new ATOM 0 HE3 TRP A 24 56.810 -12.954 -11.026 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 59.236 -16.636 -13.319 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 55.716 -14.219 -12.853 1.00 1.00 H new ATOM 0 HH2 TRP A 24 56.918 -16.061 -13.998 1.00 1.00 H new ATOM 347 N LYS A 25 58.459 -15.237 -7.218 1.00 1.00 N ATOM 348 CA LYS A 25 57.540 -16.368 -7.173 1.00 1.00 C ATOM 349 C LYS A 25 57.745 -17.175 -5.896 1.00 1.00 C ATOM 350 O LYS A 25 57.293 -18.316 -5.792 1.00 1.00 O ATOM 351 CB LYS A 25 57.753 -17.272 -8.392 1.00 1.00 C ATOM 352 CG LYS A 25 59.239 -17.300 -8.767 1.00 1.00 C ATOM 353 CD LYS A 25 60.064 -17.766 -7.567 1.00 1.00 C ATOM 354 CE LYS A 25 61.453 -18.198 -8.041 1.00 1.00 C ATOM 355 NZ LYS A 25 61.324 -19.368 -8.955 1.00 1.00 N ATOM 0 H LYS A 25 59.378 -15.419 -6.814 1.00 1.00 H new ATOM 0 HA LYS A 25 56.521 -15.981 -7.186 1.00 1.00 H new ATOM 0 HB2 LYS A 25 57.405 -18.281 -8.172 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.163 -16.908 -9.233 1.00 1.00 H new ATOM 0 HG2 LYS A 25 59.398 -17.970 -9.612 1.00 1.00 H new ATOM 0 HG3 LYS A 25 59.564 -16.308 -9.081 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.151 -16.961 -6.837 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.564 -18.596 -7.068 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.946 -17.373 -8.556 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.076 -18.458 -7.186 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.166 -19.972 -8.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.477 -19.916 -8.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.238 -19.034 -9.936 1.00 1.00 H new ATOM 369 N SER A 26 58.428 -16.576 -4.926 1.00 1.00 N ATOM 370 CA SER A 26 58.687 -17.249 -3.658 1.00 1.00 C ATOM 371 C SER A 26 58.491 -16.286 -2.491 1.00 1.00 C ATOM 372 O SER A 26 57.744 -16.575 -1.556 1.00 1.00 O ATOM 373 CB SER A 26 60.116 -17.793 -3.638 1.00 1.00 C ATOM 374 OG SER A 26 60.953 -16.888 -2.932 1.00 1.00 O ATOM 0 H SER A 26 58.810 -15.633 -4.992 1.00 1.00 H new ATOM 0 HA SER A 26 57.983 -18.075 -3.556 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.138 -18.773 -3.162 1.00 1.00 H new ATOM 0 HB3 SER A 26 60.481 -17.925 -4.656 1.00 1.00 H new ATOM 0 HG SER A 26 61.870 -17.235 -2.916 1.00 1.00 H new ATOM 380 N SER A 27 59.167 -15.144 -2.554 1.00 1.00 N ATOM 381 CA SER A 27 59.059 -14.146 -1.495 1.00 1.00 C ATOM 382 C SER A 27 58.120 -13.019 -1.915 1.00 1.00 C ATOM 383 O SER A 27 58.087 -11.961 -1.288 1.00 1.00 O ATOM 384 CB SER A 27 60.439 -13.572 -1.177 1.00 1.00 C ATOM 385 OG SER A 27 61.377 -14.047 -2.133 1.00 1.00 O ATOM 0 H SER A 27 59.790 -14.887 -3.320 1.00 1.00 H new ATOM 0 HA SER A 27 58.653 -14.629 -0.606 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.405 -12.483 -1.194 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.745 -13.866 -0.173 1.00 1.00 H new ATOM 0 HG SER A 27 62.250 -13.633 -1.969 1.00 1.00 H new ATOM 391 N GLY A 28 57.360 -13.255 -2.979 1.00 1.00 N ATOM 392 CA GLY A 28 56.424 -12.252 -3.474 1.00 1.00 C ATOM 393 C GLY A 28 55.237 -12.910 -4.169 1.00 1.00 C ATOM 394 O GLY A 28 54.766 -12.432 -5.200 1.00 1.00 O ATOM 0 H GLY A 28 57.373 -14.125 -3.512 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.071 -11.638 -2.645 1.00 1.00 H new ATOM 0 HA3 GLY A 28 56.934 -11.585 -4.170 1.00 1.00 H new ATOM 398 N ALA A 29 54.758 -14.010 -3.596 1.00 1.00 N ATOM 399 CA ALA A 29 53.625 -14.726 -4.170 1.00 1.00 C ATOM 400 C ALA A 29 52.716 -15.261 -3.068 1.00 1.00 C ATOM 401 O ALA A 29 51.573 -15.644 -3.322 1.00 1.00 O ATOM 402 CB ALA A 29 54.123 -15.887 -5.031 1.00 1.00 C ATOM 0 H ALA A 29 55.133 -14.422 -2.742 1.00 1.00 H new ATOM 0 HA ALA A 29 53.057 -14.032 -4.790 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.270 -16.417 -5.456 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.748 -15.501 -5.836 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.706 -16.572 -4.416 1.00 1.00 H new ATOM 408 N LEU A 30 53.230 -15.284 -1.842 1.00 1.00 N ATOM 409 CA LEU A 30 52.456 -15.775 -0.708 1.00 1.00 C ATOM 410 C LEU A 30 52.657 -14.874 0.506 1.00 1.00 C ATOM 411 O LEU A 30 51.872 -14.908 1.454 1.00 1.00 O ATOM 412 CB LEU A 30 52.882 -17.202 -0.363 1.00 1.00 C ATOM 413 CG LEU A 30 54.399 -17.333 -0.510 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.940 -18.262 0.577 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.727 -17.914 -1.887 1.00 1.00 C ATOM 0 H LEU A 30 54.172 -14.971 -1.610 1.00 1.00 H new ATOM 0 HA LEU A 30 51.401 -15.768 -0.981 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.583 -17.445 0.656 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.380 -17.912 -1.021 1.00 1.00 H new ATOM 0 HG LEU A 30 54.860 -16.351 -0.409 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.021 -18.355 0.471 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.705 -17.849 1.558 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.480 -19.245 0.477 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.808 -18.008 -1.994 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.265 -18.896 -1.987 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.342 -17.252 -2.662 1.00 1.00 H new ATOM 427 N ILE A 31 53.714 -14.070 0.472 1.00 1.00 N ATOM 428 CA ILE A 31 54.010 -13.165 1.576 1.00 1.00 C ATOM 429 C ILE A 31 53.149 -11.898 1.509 1.00 1.00 C ATOM 430 O ILE A 31 52.751 -11.366 2.544 1.00 1.00 O ATOM 431 CB ILE A 31 55.493 -12.778 1.568 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.338 -13.963 1.078 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.928 -12.388 2.982 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.081 -15.199 1.949 1.00 1.00 C ATOM 0 H ILE A 31 54.376 -14.026 -0.303 1.00 1.00 H new ATOM 0 HA ILE A 31 53.777 -13.691 2.502 1.00 1.00 H new ATOM 0 HB ILE A 31 55.639 -11.932 0.897 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.096 -14.186 0.039 1.00 1.00 H new ATOM 0 HG13 ILE A 31 57.396 -13.701 1.110 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.983 -12.113 2.975 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.334 -11.541 3.325 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.777 -13.232 3.655 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.687 -16.030 1.589 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.347 -14.977 2.983 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.026 -15.469 1.895 1.00 1.00 H new ATOM 446 N PRO A 32 52.856 -11.399 0.328 1.00 1.00 N ATOM 447 CA PRO A 32 52.033 -10.175 0.164 1.00 1.00 C ATOM 448 C PRO A 32 50.540 -10.485 0.107 1.00 1.00 C ATOM 449 O PRO A 32 49.758 -9.714 -0.451 1.00 1.00 O ATOM 450 CB PRO A 32 52.528 -9.603 -1.164 1.00 1.00 C ATOM 451 CG PRO A 32 53.010 -10.778 -1.959 1.00 1.00 C ATOM 452 CD PRO A 32 53.265 -11.933 -0.980 1.00 1.00 C ATOM 0 HA PRO A 32 52.138 -9.486 1.002 1.00 1.00 H new ATOM 0 HB2 PRO A 32 51.728 -9.079 -1.687 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.330 -8.883 -1.005 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.268 -11.065 -2.704 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.923 -10.526 -2.499 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.685 -12.816 -1.248 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.314 -12.229 -0.978 1.00 1.00 H new ATOM 460 N ALA A 33 50.155 -11.619 0.687 1.00 1.00 N ATOM 461 CA ALA A 33 48.753 -12.029 0.700 1.00 1.00 C ATOM 462 C ALA A 33 48.299 -12.336 2.123 1.00 1.00 C ATOM 463 O ALA A 33 47.155 -12.729 2.349 1.00 1.00 O ATOM 464 CB ALA A 33 48.566 -13.270 -0.174 1.00 1.00 C ATOM 0 H ALA A 33 50.790 -12.268 1.152 1.00 1.00 H new ATOM 0 HA ALA A 33 48.150 -11.211 0.306 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.518 -13.570 -0.160 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.865 -13.043 -1.197 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.182 -14.083 0.211 1.00 1.00 H new ATOM 470 N ILE A 34 49.204 -12.153 3.080 1.00 1.00 N ATOM 471 CA ILE A 34 48.884 -12.412 4.480 1.00 1.00 C ATOM 472 C ILE A 34 49.464 -11.319 5.372 1.00 1.00 C ATOM 473 O ILE A 34 48.852 -10.927 6.366 1.00 1.00 O ATOM 474 CB ILE A 34 49.446 -13.771 4.904 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.105 -14.449 3.697 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.310 -14.653 5.429 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.664 -15.810 4.117 1.00 1.00 C ATOM 0 H ILE A 34 50.157 -11.829 2.914 1.00 1.00 H new ATOM 0 HA ILE A 34 47.800 -12.419 4.589 1.00 1.00 H new ATOM 0 HB ILE A 34 50.187 -13.629 5.691 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.377 -14.575 2.895 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.905 -13.821 3.306 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.711 -15.621 5.731 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.842 -14.171 6.287 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.568 -14.796 4.644 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.132 -16.292 3.259 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.405 -15.672 4.904 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.853 -16.438 4.488 1.00 1.00 H new ATOM 489 N TYR A 35 50.647 -10.832 5.010 1.00 1.00 N ATOM 490 CA TYR A 35 51.300 -9.785 5.786 1.00 1.00 C ATOM 491 C TYR A 35 50.774 -8.411 5.382 1.00 1.00 C ATOM 492 O TYR A 35 51.235 -7.386 5.884 1.00 1.00 O ATOM 493 CB TYR A 35 52.813 -9.838 5.566 1.00 1.00 C ATOM 494 CG TYR A 35 53.478 -10.438 6.781 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.395 -11.815 7.017 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.178 -9.616 7.673 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.013 -12.372 8.143 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.796 -10.172 8.799 1.00 1.00 C ATOM 499 CZ TYR A 35 54.714 -11.549 9.035 1.00 1.00 C ATOM 500 OH TYR A 35 55.322 -12.098 10.144 1.00 1.00 O ATOM 0 H TYR A 35 51.169 -11.143 4.191 1.00 1.00 H new ATOM 0 HA TYR A 35 51.080 -9.950 6.841 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.042 -10.433 4.682 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.200 -8.835 5.384 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.854 -12.448 6.330 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.241 -8.553 7.492 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.950 -13.435 8.324 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.337 -9.538 9.486 1.00 1.00 H new ATOM 0 HH TYR A 35 55.766 -11.391 10.657 1.00 1.00 H new ATOM 510 N MET A 36 49.805 -8.399 4.472 1.00 1.00 N ATOM 511 CA MET A 36 49.223 -7.146 4.006 1.00 1.00 C ATOM 512 C MET A 36 47.876 -6.898 4.679 1.00 1.00 C ATOM 513 O MET A 36 47.668 -5.862 5.311 1.00 1.00 O ATOM 514 CB MET A 36 49.037 -7.187 2.488 1.00 1.00 C ATOM 515 CG MET A 36 50.395 -7.387 1.814 1.00 1.00 C ATOM 516 SD MET A 36 51.269 -5.803 1.732 1.00 1.00 S ATOM 517 CE MET A 36 52.935 -6.449 2.015 1.00 1.00 C ATOM 0 H MET A 36 49.409 -9.237 4.045 1.00 1.00 H new ATOM 0 HA MET A 36 49.902 -6.334 4.266 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.361 -7.997 2.215 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.580 -6.260 2.142 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.987 -8.112 2.373 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.259 -7.792 0.811 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.651 -5.627 2.005 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.972 -6.950 2.982 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.188 -7.160 1.229 1.00 1.00 H new ATOM 527 N LEU A 37 46.965 -7.856 4.539 1.00 1.00 N ATOM 528 CA LEU A 37 45.641 -7.731 5.137 1.00 1.00 C ATOM 529 C LEU A 37 45.703 -8.005 6.637 1.00 1.00 C ATOM 530 O LEU A 37 44.676 -8.205 7.283 1.00 1.00 O ATOM 531 CB LEU A 37 44.674 -8.714 4.476 1.00 1.00 C ATOM 532 CG LEU A 37 44.551 -8.387 2.987 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.332 -9.678 2.196 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.361 -7.449 2.768 1.00 1.00 C ATOM 0 H LEU A 37 47.118 -8.721 4.021 1.00 1.00 H new ATOM 0 HA LEU A 37 45.286 -6.712 4.979 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.032 -9.735 4.606 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.696 -8.655 4.954 1.00 1.00 H new ATOM 0 HG LEU A 37 45.466 -7.902 2.646 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.244 -9.444 1.135 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.178 -10.348 2.351 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.418 -10.163 2.537 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.272 -7.215 1.707 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.447 -7.935 3.110 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.515 -6.528 3.331 1.00 1.00 H new ATOM 546 N VAL A 38 46.916 -8.014 7.181 1.00 1.00 N ATOM 547 CA VAL A 38 47.101 -8.266 8.606 1.00 1.00 C ATOM 548 C VAL A 38 48.132 -7.305 9.189 1.00 1.00 C ATOM 549 O VAL A 38 47.783 -6.360 9.897 1.00 1.00 O ATOM 550 CB VAL A 38 47.562 -9.707 8.826 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.523 -10.034 10.320 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.633 -10.659 8.072 1.00 1.00 C ATOM 0 H VAL A 38 47.779 -7.851 6.662 1.00 1.00 H new ATOM 0 HA VAL A 38 46.148 -8.109 9.111 1.00 1.00 H new ATOM 0 HB VAL A 38 48.581 -9.823 8.456 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.852 -11.061 10.476 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.185 -9.355 10.858 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.505 -9.918 10.691 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.961 -11.687 8.228 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.614 -10.543 8.442 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.661 -10.427 7.007 1.00 1.00 H new ATOM 562 N PHE A 39 49.402 -7.553 8.888 1.00 1.00 N ATOM 563 CA PHE A 39 50.476 -6.704 9.390 1.00 1.00 C ATOM 564 C PHE A 39 50.088 -5.232 9.285 1.00 1.00 C ATOM 565 O PHE A 39 50.367 -4.441 10.186 1.00 1.00 O ATOM 566 CB PHE A 39 51.757 -6.954 8.591 1.00 1.00 C ATOM 567 CG PHE A 39 52.949 -6.890 9.516 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.212 -7.952 10.391 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.789 -5.772 9.499 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.317 -7.893 11.250 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.893 -5.712 10.357 1.00 1.00 C ATOM 572 CZ PHE A 39 55.158 -6.773 11.232 1.00 1.00 C ATOM 0 H PHE A 39 49.712 -8.329 8.303 1.00 1.00 H new ATOM 0 HA PHE A 39 50.648 -6.949 10.438 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.711 -7.929 8.106 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.856 -6.210 7.801 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.563 -8.815 10.403 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.586 -4.954 8.823 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.520 -8.711 11.926 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.540 -4.848 10.344 1.00 1.00 H new ATOM 0 HZ PHE A 39 56.011 -6.728 11.893 1.00 1.00 H new ATOM 582 N LEU A 40 49.445 -4.873 8.179 1.00 1.00 N ATOM 583 CA LEU A 40 49.023 -3.493 7.966 1.00 1.00 C ATOM 584 C LEU A 40 47.531 -3.340 8.240 1.00 1.00 C ATOM 585 O LEU A 40 46.817 -2.675 7.489 1.00 1.00 O ATOM 586 CB LEU A 40 49.326 -3.071 6.526 1.00 1.00 C ATOM 587 CG LEU A 40 50.827 -2.830 6.370 1.00 1.00 C ATOM 588 CD1 LEU A 40 51.281 -3.310 4.991 1.00 1.00 C ATOM 589 CD2 LEU A 40 51.121 -1.334 6.509 1.00 1.00 C ATOM 0 H LEU A 40 49.206 -5.513 7.421 1.00 1.00 H new ATOM 0 HA LEU A 40 49.574 -2.854 8.656 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.997 -3.845 5.832 1.00 1.00 H new ATOM 0 HB3 LEU A 40 48.774 -2.165 6.278 1.00 1.00 H new ATOM 0 HG LEU A 40 51.364 -3.381 7.142 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.352 -3.138 4.880 1.00 1.00 H new ATOM 0 HD12 LEU A 40 51.072 -4.375 4.890 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.743 -2.760 4.219 1.00 1.00 H new ATOM 0 HD21 LEU A 40 52.192 -1.162 6.398 1.00 1.00 H new ATOM 0 HD22 LEU A 40 50.583 -0.784 5.737 1.00 1.00 H new ATOM 0 HD23 LEU A 40 50.798 -0.990 7.491 1.00 1.00 H new ATOM 601 N LEU A 41 47.066 -3.959 9.320 1.00 1.00 N ATOM 602 CA LEU A 41 45.656 -3.884 9.683 1.00 1.00 C ATOM 603 C LEU A 41 45.457 -4.314 11.134 1.00 1.00 C ATOM 604 O LEU A 41 45.100 -3.503 11.988 1.00 1.00 O ATOM 605 CB LEU A 41 44.832 -4.783 8.751 1.00 1.00 C ATOM 606 CG LEU A 41 43.391 -4.911 9.264 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.818 -3.523 9.561 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.535 -5.590 8.193 1.00 1.00 C ATOM 0 H LEU A 41 47.640 -4.514 9.955 1.00 1.00 H new ATOM 0 HA LEU A 41 45.319 -2.853 9.577 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.830 -4.368 7.743 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.291 -5.770 8.688 1.00 1.00 H new ATOM 0 HG LEU A 41 43.386 -5.505 10.178 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.795 -3.622 9.925 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.427 -3.033 10.320 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.823 -2.925 8.650 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.510 -5.684 8.552 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.547 -4.990 7.283 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.937 -6.581 7.980 1.00 1.00 H new ATOM 620 N GLY A 42 45.692 -5.594 11.403 1.00 1.00 N ATOM 621 CA GLY A 42 45.536 -6.121 12.754 1.00 1.00 C ATOM 622 C GLY A 42 46.232 -5.225 13.772 1.00 1.00 C ATOM 623 O GLY A 42 45.992 -5.332 14.975 1.00 1.00 O ATOM 0 H GLY A 42 45.989 -6.281 10.710 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.477 -6.200 12.998 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.951 -7.128 12.806 1.00 1.00 H new ATOM 627 N THR A 43 47.096 -4.341 13.282 1.00 1.00 N ATOM 628 CA THR A 43 47.823 -3.431 14.160 1.00 1.00 C ATOM 629 C THR A 43 47.879 -2.032 13.553 1.00 1.00 C ATOM 630 O THR A 43 46.945 -1.246 13.705 1.00 1.00 O ATOM 631 CB THR A 43 49.244 -3.949 14.388 1.00 1.00 C ATOM 632 OG1 THR A 43 50.079 -2.872 14.793 1.00 1.00 O ATOM 633 CG2 THR A 43 49.782 -4.554 13.090 1.00 1.00 C ATOM 0 H THR A 43 47.309 -4.236 12.290 1.00 1.00 H new ATOM 0 HA THR A 43 47.299 -3.380 15.114 1.00 1.00 H new ATOM 0 HB THR A 43 49.233 -4.713 15.165 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.015 -3.163 14.787 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.795 -4.923 13.253 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.141 -5.379 12.780 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.795 -3.792 12.311 1.00 1.00 H new ATOM 641 N THR A 44 48.984 -1.740 12.865 1.00 1.00 N ATOM 642 CA THR A 44 49.178 -0.437 12.226 1.00 1.00 C ATOM 643 C THR A 44 48.529 0.680 13.040 1.00 1.00 C ATOM 644 O THR A 44 47.800 1.511 12.499 1.00 1.00 O ATOM 645 CB THR A 44 48.597 -0.450 10.807 1.00 1.00 C ATOM 646 OG1 THR A 44 48.697 0.853 10.248 1.00 1.00 O ATOM 647 CG2 THR A 44 47.129 -0.878 10.841 1.00 1.00 C ATOM 0 H THR A 44 49.760 -2.390 12.736 1.00 1.00 H new ATOM 0 HA THR A 44 50.250 -0.246 12.175 1.00 1.00 H new ATOM 0 HB THR A 44 49.158 -1.159 10.198 1.00 1.00 H new ATOM 0 HG1 THR A 44 48.107 1.465 10.736 1.00 1.00 H new ATOM 0 HG21 THR A 44 46.728 -0.883 9.827 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.051 -1.878 11.267 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.560 -0.178 11.453 1.00 1.00 H new ATOM 655 N GLY A 45 48.802 0.691 14.341 1.00 1.00 N ATOM 656 CA GLY A 45 48.241 1.710 15.221 1.00 1.00 C ATOM 657 C GLY A 45 47.110 1.136 16.067 1.00 1.00 C ATOM 658 O GLY A 45 47.059 1.348 17.279 1.00 1.00 O ATOM 0 H GLY A 45 49.404 0.011 14.806 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.022 2.105 15.871 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.869 2.544 14.627 1.00 1.00 H new ATOM 662 N ASN A 46 46.205 0.406 15.422 1.00 1.00 N ATOM 663 CA ASN A 46 45.079 -0.193 16.128 1.00 1.00 C ATOM 664 C ASN A 46 45.537 -1.401 16.940 1.00 1.00 C ATOM 665 O ASN A 46 44.744 -2.290 17.249 1.00 1.00 O ATOM 666 CB ASN A 46 44.007 -0.628 15.127 1.00 1.00 C ATOM 667 CG ASN A 46 43.877 0.409 14.017 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.306 1.552 14.179 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.306 0.078 12.891 1.00 1.00 N ATOM 0 H ASN A 46 46.229 0.216 14.420 1.00 1.00 H new ATOM 0 HA ASN A 46 44.663 0.551 16.807 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.267 -1.597 14.702 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.051 -0.750 15.636 1.00 1.00 H new ATOM 0 HD21 ASN A 46 43.215 0.766 12.144 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.951 -0.869 12.758 1.00 1.00 H new ATOM 676 N GLY A 47 46.822 -1.427 17.280 1.00 1.00 N ATOM 677 CA GLY A 47 47.374 -2.532 18.055 1.00 1.00 C ATOM 678 C GLY A 47 48.332 -2.027 19.128 1.00 1.00 C ATOM 679 O GLY A 47 48.433 -2.609 20.208 1.00 1.00 O ATOM 0 H GLY A 47 47.496 -0.702 17.033 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.564 -3.093 18.521 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.897 -3.220 17.391 1.00 1.00 H new ATOM 683 N LEU A 48 49.038 -0.942 18.826 1.00 1.00 N ATOM 684 CA LEU A 48 49.986 -0.372 19.775 1.00 1.00 C ATOM 685 C LEU A 48 49.368 0.820 20.502 1.00 1.00 C ATOM 686 O LEU A 48 50.062 1.777 20.845 1.00 1.00 O ATOM 687 CB LEU A 48 51.258 0.075 19.045 1.00 1.00 C ATOM 688 CG LEU A 48 51.339 -0.603 17.675 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.656 -0.221 16.997 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.282 -2.123 17.849 1.00 1.00 C ATOM 0 H LEU A 48 48.972 -0.443 17.939 1.00 1.00 H new ATOM 0 HA LEU A 48 50.240 -1.138 20.507 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.257 1.158 18.925 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.136 -0.179 19.638 1.00 1.00 H new ATOM 0 HG LEU A 48 50.500 -0.276 17.060 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.716 -0.703 16.021 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.700 0.861 16.871 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.492 -0.548 17.615 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.340 -2.603 16.872 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.120 -2.450 18.465 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.346 -2.399 18.334 1.00 1.00 H new ATOM 702 N VAL A 49 48.059 0.751 20.732 1.00 1.00 N ATOM 703 CA VAL A 49 47.351 1.828 21.419 1.00 1.00 C ATOM 704 C VAL A 49 46.562 1.284 22.607 1.00 1.00 C ATOM 705 O VAL A 49 46.798 1.674 23.749 1.00 1.00 O ATOM 706 CB VAL A 49 46.397 2.524 20.447 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.599 3.594 21.193 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.205 3.182 19.326 1.00 1.00 C ATOM 0 H VAL A 49 47.470 -0.034 20.455 1.00 1.00 H new ATOM 0 HA VAL A 49 48.086 2.544 21.786 1.00 1.00 H new ATOM 0 HB VAL A 49 45.712 1.790 20.022 1.00 1.00 H new ATOM 0 HG11 VAL A 49 44.919 4.090 20.500 1.00 1.00 H new ATOM 0 HG12 VAL A 49 45.025 3.128 21.994 1.00 1.00 H new ATOM 0 HG13 VAL A 49 46.283 4.328 21.618 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.527 3.679 18.632 1.00 1.00 H new ATOM 0 HG22 VAL A 49 47.889 3.916 19.753 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.775 2.421 18.794 1.00 1.00 H new ATOM 718 N LEU A 50 45.622 0.384 22.328 1.00 1.00 N ATOM 719 CA LEU A 50 44.801 -0.205 23.382 1.00 1.00 C ATOM 720 C LEU A 50 45.226 -1.643 23.659 1.00 1.00 C ATOM 721 O LEU A 50 45.209 -2.095 24.805 1.00 1.00 O ATOM 722 CB LEU A 50 43.326 -0.175 22.973 1.00 1.00 C ATOM 723 CG LEU A 50 43.136 -0.957 21.672 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.514 -2.321 21.980 1.00 1.00 C ATOM 725 CD2 LEU A 50 42.209 -0.175 20.740 1.00 1.00 C ATOM 0 H LEU A 50 45.411 0.049 21.388 1.00 1.00 H new ATOM 0 HA LEU A 50 44.939 0.381 24.291 1.00 1.00 H new ATOM 0 HB2 LEU A 50 42.711 -0.608 23.762 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.996 0.855 22.841 1.00 1.00 H new ATOM 0 HG LEU A 50 44.103 -1.100 21.190 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.379 -2.877 21.052 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.173 -2.879 22.645 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.547 -2.179 22.462 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.072 -0.731 19.812 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.242 -0.033 21.223 1.00 1.00 H new ATOM 0 HD23 LEU A 50 42.651 0.797 20.519 1.00 1.00 H new ATOM 737 N TRP A 51 45.605 -2.359 22.607 1.00 1.00 N ATOM 738 CA TRP A 51 46.030 -3.747 22.753 1.00 1.00 C ATOM 739 C TRP A 51 47.463 -3.814 23.272 1.00 1.00 C ATOM 740 O TRP A 51 48.089 -4.874 23.263 1.00 1.00 O ATOM 741 CB TRP A 51 45.935 -4.465 21.405 1.00 1.00 C ATOM 742 CG TRP A 51 46.370 -5.886 21.563 1.00 1.00 C ATOM 743 CD1 TRP A 51 47.565 -6.381 21.164 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.641 -7.002 22.150 1.00 1.00 C ATOM 745 NE1 TRP A 51 47.614 -7.730 21.469 1.00 1.00 N ATOM 746 CE2 TRP A 51 46.452 -8.159 22.079 1.00 1.00 C ATOM 747 CE3 TRP A 51 44.366 -7.121 22.732 1.00 1.00 C ATOM 748 CZ2 TRP A 51 46.014 -9.390 22.567 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.921 -8.359 23.226 1.00 1.00 C ATOM 750 CH2 TRP A 51 44.745 -9.492 23.143 1.00 1.00 C ATOM 0 H TRP A 51 45.627 -2.006 21.650 1.00 1.00 H new ATOM 0 HA TRP A 51 45.373 -4.238 23.471 1.00 1.00 H new ATOM 0 HB2 TRP A 51 44.911 -4.427 21.032 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.562 -3.962 20.668 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.351 -5.816 20.686 1.00 1.00 H new ATOM 0 HE1 TRP A 51 48.411 -8.334 21.268 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.725 -6.255 22.800 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.652 -10.259 22.500 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 42.940 -8.439 23.672 1.00 1.00 H new ATOM 0 HH2 TRP A 51 44.399 -10.441 23.524 1.00 1.00 H new ATOM 761 N THR A 52 47.976 -2.675 23.725 1.00 1.00 N ATOM 762 CA THR A 52 49.337 -2.615 24.249 1.00 1.00 C ATOM 763 C THR A 52 49.330 -2.726 25.770 1.00 1.00 C ATOM 764 O THR A 52 50.305 -3.172 26.374 1.00 1.00 O ATOM 765 CB THR A 52 49.998 -1.299 23.834 1.00 1.00 C ATOM 766 OG1 THR A 52 51.405 -1.406 24.002 1.00 1.00 O ATOM 767 CG2 THR A 52 49.463 -0.160 24.703 1.00 1.00 C ATOM 0 H THR A 52 47.475 -1.787 23.740 1.00 1.00 H new ATOM 0 HA THR A 52 49.903 -3.451 23.838 1.00 1.00 H new ATOM 0 HB THR A 52 49.771 -1.091 22.788 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.831 -0.565 23.735 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.935 0.777 24.406 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.384 -0.080 24.573 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.689 -0.364 25.750 1.00 1.00 H new ATOM 775 N VAL A 53 48.224 -2.316 26.383 1.00 1.00 N ATOM 776 CA VAL A 53 48.100 -2.374 27.835 1.00 1.00 C ATOM 777 C VAL A 53 48.121 -3.821 28.317 1.00 1.00 C ATOM 778 O VAL A 53 49.012 -4.222 29.067 1.00 1.00 O ATOM 779 CB VAL A 53 46.795 -1.708 28.274 1.00 1.00 C ATOM 780 CG1 VAL A 53 46.753 -1.622 29.800 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.720 -0.298 27.683 1.00 1.00 C ATOM 0 H VAL A 53 47.406 -1.943 25.901 1.00 1.00 H new ATOM 0 HA VAL A 53 48.945 -1.844 28.275 1.00 1.00 H new ATOM 0 HB VAL A 53 45.949 -2.298 27.920 1.00 1.00 H new ATOM 0 HG11 VAL A 53 45.823 -1.147 30.112 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.808 -2.625 30.223 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.598 -1.032 30.155 1.00 1.00 H new ATOM 0 HG21 VAL A 53 45.790 0.178 27.995 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.566 0.291 28.038 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.750 -0.357 26.595 1.00 1.00 H new ATOM 791 N PHE A 54 47.136 -4.598 27.883 1.00 1.00 N ATOM 792 CA PHE A 54 47.051 -6.000 28.277 1.00 1.00 C ATOM 793 C PHE A 54 48.359 -6.723 27.972 1.00 1.00 C ATOM 794 O PHE A 54 48.699 -7.711 28.621 1.00 1.00 O ATOM 795 CB PHE A 54 45.903 -6.683 27.531 1.00 1.00 C ATOM 796 CG PHE A 54 46.414 -7.934 26.859 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.097 -7.843 25.640 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.207 -9.184 27.454 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.572 -9.003 25.015 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.682 -10.344 26.829 1.00 1.00 C ATOM 801 CZ PHE A 54 47.364 -10.253 25.610 1.00 1.00 C ATOM 0 H PHE A 54 46.390 -4.285 27.263 1.00 1.00 H new ATOM 0 HA PHE A 54 46.866 -6.046 29.350 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.101 -6.932 28.226 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.483 -6.004 26.789 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.258 -6.878 25.182 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.681 -9.254 28.395 1.00 1.00 H new ATOM 0 HE1 PHE A 54 48.098 -8.933 24.075 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.522 -11.309 27.288 1.00 1.00 H new ATOM 0 HZ PHE A 54 47.730 -11.148 25.128 1.00 1.00 H new ATOM 811 N ARG A 55 49.088 -6.222 26.980 1.00 1.00 N ATOM 812 CA ARG A 55 50.358 -6.830 26.596 1.00 1.00 C ATOM 813 C ARG A 55 51.497 -6.276 27.448 1.00 1.00 C ATOM 814 O ARG A 55 52.411 -7.006 27.829 1.00 1.00 O ATOM 815 CB ARG A 55 50.643 -6.554 25.119 1.00 1.00 C ATOM 816 CG ARG A 55 51.938 -7.257 24.707 1.00 1.00 C ATOM 817 CD ARG A 55 51.669 -8.160 23.502 1.00 1.00 C ATOM 818 NE ARG A 55 50.807 -9.272 23.887 1.00 1.00 N ATOM 819 CZ ARG A 55 50.428 -10.186 23.000 1.00 1.00 C ATOM 820 NH1 ARG A 55 50.827 -10.099 21.760 1.00 1.00 N ATOM 821 NH2 ARG A 55 49.657 -11.173 23.369 1.00 1.00 N ATOM 0 H ARG A 55 48.825 -5.404 26.431 1.00 1.00 H new ATOM 0 HA ARG A 55 50.288 -7.906 26.758 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.814 -6.908 24.506 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.730 -5.481 24.949 1.00 1.00 H new ATOM 0 HG2 ARG A 55 52.701 -6.519 24.459 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.324 -7.847 25.538 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.198 -7.584 22.705 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.611 -8.541 23.106 1.00 1.00 H new ATOM 0 HE ARG A 55 50.490 -9.349 24.853 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.430 -9.329 21.471 1.00 1.00 H new ATOM 0 HH12 ARG A 55 50.535 -10.801 21.080 1.00 1.00 H new ATOM 0 HH21 ARG A 55 49.346 -11.242 24.338 1.00 1.00 H new ATOM 0 HH22 ARG A 55 49.366 -11.875 22.688 1.00 1.00 H new ATOM 835 N LYS A 56 51.434 -4.981 27.743 1.00 1.00 N ATOM 836 CA LYS A 56 52.465 -4.341 28.551 1.00 1.00 C ATOM 837 C LYS A 56 52.749 -5.161 29.805 1.00 1.00 C ATOM 838 O LYS A 56 53.817 -5.043 30.408 1.00 1.00 O ATOM 839 CB LYS A 56 52.020 -2.933 28.948 1.00 1.00 C ATOM 840 CG LYS A 56 52.621 -1.914 27.978 1.00 1.00 C ATOM 841 CD LYS A 56 52.035 -0.530 28.263 1.00 1.00 C ATOM 842 CE LYS A 56 52.620 0.486 27.281 1.00 1.00 C ATOM 843 NZ LYS A 56 53.166 1.649 28.036 1.00 1.00 N ATOM 0 H LYS A 56 50.686 -4.359 27.437 1.00 1.00 H new ATOM 0 HA LYS A 56 53.377 -4.278 27.958 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.932 -2.867 28.934 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.339 -2.713 29.967 1.00 1.00 H new ATOM 0 HG2 LYS A 56 53.705 -1.890 28.085 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.408 -2.206 26.950 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.949 -0.557 28.170 1.00 1.00 H new ATOM 0 HD3 LYS A 56 52.260 -0.232 29.287 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.408 0.022 26.687 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.851 0.820 26.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.564 2.340 27.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.403 2.096 28.584 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.912 1.323 28.683 1.00 1.00 H new ATOM 857 N LYS A 57 51.786 -5.990 30.195 1.00 1.00 N ATOM 858 CA LYS A 57 51.943 -6.825 31.380 1.00 1.00 C ATOM 859 C LYS A 57 53.012 -7.887 31.149 1.00 1.00 C ATOM 860 O LYS A 57 53.710 -8.292 32.080 1.00 1.00 O ATOM 861 CB LYS A 57 50.613 -7.501 31.722 1.00 1.00 C ATOM 862 CG LYS A 57 49.480 -6.479 31.624 1.00 1.00 C ATOM 863 CD LYS A 57 48.353 -6.871 32.582 1.00 1.00 C ATOM 864 CE LYS A 57 47.141 -5.969 32.341 1.00 1.00 C ATOM 865 NZ LYS A 57 46.432 -5.736 33.632 1.00 1.00 N ATOM 0 H LYS A 57 50.895 -6.101 29.712 1.00 1.00 H new ATOM 0 HA LYS A 57 52.252 -6.191 32.211 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.429 -8.330 31.039 1.00 1.00 H new ATOM 0 HB3 LYS A 57 50.654 -7.919 32.728 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.851 -5.484 31.870 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.104 -6.435 30.602 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.079 -7.915 32.430 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.690 -6.777 33.614 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.460 -5.019 31.912 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.466 -6.433 31.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.608 -5.123 33.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.115 -6.646 34.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 47.078 -5.276 34.305 1.00 1.00 H new ATOM 879 N GLY A 58 53.136 -8.334 29.905 1.00 1.00 N ATOM 880 CA GLY A 58 54.125 -9.351 29.564 1.00 1.00 C ATOM 881 C GLY A 58 53.537 -10.384 28.609 1.00 1.00 C ATOM 882 O GLY A 58 52.615 -11.119 28.964 1.00 1.00 O ATOM 0 H GLY A 58 52.569 -8.012 29.121 1.00 1.00 H new ATOM 0 HA2 GLY A 58 54.994 -8.879 29.105 1.00 1.00 H new ATOM 0 HA3 GLY A 58 54.472 -9.845 30.471 1.00 1.00 H new ATOM 886 N HIS A 59 54.076 -10.434 27.395 1.00 1.00 N ATOM 887 CA HIS A 59 53.596 -11.383 26.396 1.00 1.00 C ATOM 888 C HIS A 59 53.701 -12.812 26.919 1.00 1.00 C ATOM 889 O HIS A 59 53.226 -13.752 26.283 1.00 1.00 O ATOM 890 CB HIS A 59 54.416 -11.246 25.111 1.00 1.00 C ATOM 891 CG HIS A 59 55.116 -12.545 24.823 1.00 1.00 C ATOM 892 ND1 HIS A 59 54.659 -13.434 23.863 1.00 1.00 N ATOM 893 CD2 HIS A 59 56.243 -13.119 25.360 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.498 -14.486 23.851 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.482 -14.345 24.745 1.00 1.00 N ATOM 0 H HIS A 59 54.839 -9.834 27.081 1.00 1.00 H new ATOM 0 HA HIS A 59 52.550 -11.162 26.185 1.00 1.00 H new ATOM 0 HB2 HIS A 59 53.765 -10.979 24.278 1.00 1.00 H new ATOM 0 HB3 HIS A 59 55.145 -10.443 25.216 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.851 -12.685 26.140 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.390 -15.340 23.199 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.244 -14.996 24.936 1.00 1.00 H new ATOM 903 N HIS A 60 54.327 -12.966 28.082 1.00 1.00 N ATOM 904 CA HIS A 60 54.488 -14.286 28.681 1.00 1.00 C ATOM 905 C HIS A 60 53.301 -14.615 29.580 1.00 1.00 C ATOM 906 O HIS A 60 53.235 -15.695 30.168 1.00 1.00 O ATOM 907 CB HIS A 60 55.779 -14.333 29.500 1.00 1.00 C ATOM 908 CG HIS A 60 56.959 -14.428 28.572 1.00 1.00 C ATOM 909 ND1 HIS A 60 58.145 -13.739 28.520 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 57.003 -15.335 27.524 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 58.914 -14.207 27.460 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 58.180 -15.169 26.892 1.00 1.00 N flip ATOM 0 H HIS A 60 54.728 -12.200 28.624 1.00 1.00 H new ATOM 0 HA HIS A 60 54.538 -15.024 27.881 1.00 1.00 H new ATOM 0 HB2 HIS A 60 55.861 -13.440 30.120 1.00 1.00 H new ATOM 0 HB3 HIS A 60 55.763 -15.189 30.174 1.00 1.00 H new ATOM 0 HD1 HIS A 60 58.421 -12.996 29.162 1.00 1.00 H new ATOM 0 HD2 HIS A 60 56.233 -16.046 27.262 1.00 1.00 H new ATOM 0 HE1 HIS A 60 59.894 -13.866 27.160 1.00 1.00 H new ATOM 920 N HIS A 61 52.364 -13.676 29.682 1.00 1.00 N ATOM 921 CA HIS A 61 51.183 -13.878 30.514 1.00 1.00 C ATOM 922 C HIS A 61 51.580 -14.402 31.890 1.00 1.00 C ATOM 923 O HIS A 61 51.636 -15.612 32.112 1.00 1.00 O ATOM 924 CB HIS A 61 50.235 -14.872 29.840 1.00 1.00 C ATOM 925 CG HIS A 61 50.088 -14.519 28.386 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.868 -13.219 27.960 1.00 1.00 N ATOM 927 CD2 HIS A 61 50.126 -15.286 27.248 1.00 1.00 C ATOM 928 CE1 HIS A 61 49.784 -13.240 26.617 1.00 1.00 C ATOM 929 NE2 HIS A 61 49.934 -14.476 26.132 1.00 1.00 N ATOM 0 H HIS A 61 52.399 -12.776 29.203 1.00 1.00 H new ATOM 0 HA HIS A 61 50.678 -12.920 30.636 1.00 1.00 H new ATOM 0 HB2 HIS A 61 50.622 -15.886 29.942 1.00 1.00 H new ATOM 0 HB3 HIS A 61 49.262 -14.852 30.330 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.281 -16.354 27.222 1.00 1.00 H new ATOM 0 HE1 HIS A 61 49.616 -12.365 26.006 1.00 1.00 H new ATOM 0 HE2 HIS A 61 49.912 -14.764 25.154 1.00 1.00 H new ATOM 937 N HIS A 62 51.853 -13.483 32.811 1.00 1.00 N ATOM 938 CA HIS A 62 52.244 -13.863 34.164 1.00 1.00 C ATOM 939 C HIS A 62 51.071 -13.703 35.124 1.00 1.00 C ATOM 940 O HIS A 62 50.866 -12.633 35.698 1.00 1.00 O ATOM 941 CB HIS A 62 53.412 -12.996 34.634 1.00 1.00 C ATOM 942 CG HIS A 62 53.787 -13.377 36.039 1.00 1.00 C ATOM 943 ND1 HIS A 62 54.400 -12.487 36.908 1.00 1.00 N ATOM 944 CD2 HIS A 62 53.640 -14.547 36.743 1.00 1.00 C ATOM 945 CE1 HIS A 62 54.599 -13.131 38.073 1.00 1.00 C ATOM 946 NE2 HIS A 62 54.154 -14.389 38.027 1.00 1.00 N ATOM 0 H HIS A 62 51.811 -12.477 32.647 1.00 1.00 H new ATOM 0 HA HIS A 62 52.551 -14.909 34.153 1.00 1.00 H new ATOM 0 HB2 HIS A 62 54.266 -13.128 33.970 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.136 -11.942 34.593 1.00 1.00 H new ATOM 0 HD2 HIS A 62 53.193 -15.452 36.359 1.00 1.00 H new ATOM 0 HE1 HIS A 62 55.063 -12.684 38.940 1.00 1.00 H new ATOM 0 HE2 HIS A 62 54.184 -15.085 38.772 1.00 1.00 H new ATOM 954 N HIS A 63 50.303 -14.774 35.295 1.00 1.00 N ATOM 955 CA HIS A 63 49.152 -14.742 36.190 1.00 1.00 C ATOM 956 C HIS A 63 48.758 -16.156 36.607 1.00 1.00 C ATOM 957 O HIS A 63 47.810 -16.729 36.073 1.00 1.00 O ATOM 958 CB HIS A 63 47.968 -14.067 35.494 1.00 1.00 C ATOM 959 CG HIS A 63 46.761 -14.125 36.388 1.00 1.00 C ATOM 960 ND1 HIS A 63 45.471 -14.187 35.884 1.00 1.00 N ATOM 961 CD2 HIS A 63 46.631 -14.132 37.754 1.00 1.00 C ATOM 962 CE1 HIS A 63 44.628 -14.228 36.932 1.00 1.00 C ATOM 963 NE2 HIS A 63 45.283 -14.197 38.096 1.00 1.00 N ATOM 0 H HIS A 63 50.455 -15.669 34.829 1.00 1.00 H new ATOM 0 HA HIS A 63 49.424 -14.174 37.080 1.00 1.00 H new ATOM 0 HB2 HIS A 63 48.212 -13.030 35.262 1.00 1.00 H new ATOM 0 HB3 HIS A 63 47.757 -14.565 34.548 1.00 1.00 H new ATOM 0 HD2 HIS A 63 47.450 -14.093 38.457 1.00 1.00 H new ATOM 0 HE1 HIS A 63 43.553 -14.280 36.843 1.00 1.00 H new ATOM 0 HE2 HIS A 63 44.882 -14.217 39.034 1.00 1.00 H new ATOM 971 N HIS A 64 49.495 -16.711 37.564 1.00 1.00 N ATOM 972 CA HIS A 64 49.214 -18.059 38.045 1.00 1.00 C ATOM 973 C HIS A 64 47.723 -18.233 38.308 1.00 1.00 C ATOM 974 O HIS A 64 47.031 -17.231 38.376 1.00 1.00 O ATOM 975 CB HIS A 64 49.996 -18.326 39.333 1.00 1.00 C ATOM 976 CG HIS A 64 50.913 -19.500 39.127 1.00 1.00 C ATOM 977 ND1 HIS A 64 50.451 -20.734 38.699 1.00 1.00 N ATOM 978 CD2 HIS A 64 52.269 -19.643 39.288 1.00 1.00 C ATOM 979 CE1 HIS A 64 51.511 -21.559 38.617 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.644 -20.944 38.965 1.00 1.00 N ATOM 981 OXT HIS A 64 47.292 -19.368 38.437 1.00 1.00 O ATOM 0 H HIS A 64 50.285 -16.253 38.018 1.00 1.00 H new ATOM 0 HA HIS A 64 49.522 -18.771 37.279 1.00 1.00 H new ATOM 0 HB2 HIS A 64 50.573 -17.444 39.610 1.00 1.00 H new ATOM 0 HB3 HIS A 64 49.308 -18.528 40.154 1.00 1.00 H new ATOM 0 HD2 HIS A 64 52.942 -18.865 39.615 1.00 1.00 H new ATOM 0 HE1 HIS A 64 51.452 -22.592 38.308 1.00 1.00 H new ATOM 0 HE2 HIS A 64 53.583 -21.342 38.989 1.00 1.00 H new TER 989 HIS A 64