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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.4!) 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= -0.775 F(o=-1.4,f=-0.78) USER MOD Single : A 16 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.052) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.141 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 56:sc= 0.707 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 35:sc= 0.196 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -110:sc= -0.666 (180deg=-2.43!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.402! USER MOD Single : A 44 THR OG1 : rot -130:sc= -0.659 USER MOD Single : A 46 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0247 (180deg=-0.278) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.17 (180deg=-0.884) USER MOD Single : A 59 HIS : no HD1:sc= -3.28 K(o=-3.3,f=-4!) USER MOD Single : A 60 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 61 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=-0.0013) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.578 7.982 -18.695 1.00 1.00 N ATOM 2 CA MET A 1 -1.562 8.303 -17.622 1.00 1.00 C ATOM 3 C MET A 1 -2.390 7.062 -17.306 1.00 1.00 C ATOM 4 O MET A 1 -2.985 6.458 -18.199 1.00 1.00 O ATOM 5 CB MET A 1 -2.476 9.435 -18.093 1.00 1.00 C ATOM 6 CG MET A 1 -2.624 10.472 -16.978 1.00 1.00 C ATOM 7 SD MET A 1 -3.750 11.783 -17.518 1.00 1.00 S ATOM 8 CE MET A 1 -4.543 12.074 -15.917 1.00 1.00 C ATOM 0 H1 MET A 1 -0.012 8.827 -18.912 1.00 1.00 H new ATOM 0 H2 MET A 1 0.050 7.218 -18.373 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.084 7.676 -19.550 1.00 1.00 H new ATOM 0 HA MET A 1 -1.035 8.620 -16.722 1.00 1.00 H new ATOM 0 HB2 MET A 1 -2.062 9.903 -18.986 1.00 1.00 H new ATOM 0 HB3 MET A 1 -3.454 9.037 -18.366 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.008 9.998 -16.075 1.00 1.00 H new ATOM 0 HG3 MET A 1 -1.651 10.894 -16.728 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.290 12.862 -16.019 1.00 1.00 H new ATOM 0 HE2 MET A 1 -5.026 11.157 -15.578 1.00 1.00 H new ATOM 0 HE3 MET A 1 -3.791 12.378 -15.189 1.00 1.00 H new ATOM 20 N GLU A 2 -2.424 6.687 -16.032 1.00 1.00 N ATOM 21 CA GLU A 2 -3.183 5.516 -15.610 1.00 1.00 C ATOM 22 C GLU A 2 -2.839 4.312 -16.482 1.00 1.00 C ATOM 23 O GLU A 2 -3.617 3.921 -17.352 1.00 1.00 O ATOM 24 CB GLU A 2 -4.683 5.803 -15.703 1.00 1.00 C ATOM 25 CG GLU A 2 -4.969 7.204 -15.158 1.00 1.00 C ATOM 26 CD GLU A 2 -4.288 7.385 -13.805 1.00 1.00 C ATOM 27 OE1 GLU A 2 -4.637 6.661 -12.887 1.00 1.00 O ATOM 28 OE2 GLU A 2 -3.428 8.244 -13.707 1.00 1.00 O ATOM 0 H GLU A 2 -1.938 7.173 -15.278 1.00 1.00 H new ATOM 0 HA GLU A 2 -2.920 5.290 -14.577 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -5.015 5.729 -16.739 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -5.242 5.059 -15.136 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.609 7.957 -15.859 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -6.044 7.351 -15.056 1.00 1.00 H new ATOM 35 N GLU A 3 -1.668 3.730 -16.242 1.00 1.00 N ATOM 36 CA GLU A 3 -1.231 2.571 -17.012 1.00 1.00 C ATOM 37 C GLU A 3 -0.601 1.528 -16.096 1.00 1.00 C ATOM 38 O GLU A 3 -0.813 1.544 -14.884 1.00 1.00 O ATOM 39 CB GLU A 3 -0.215 3.002 -18.072 1.00 1.00 C ATOM 40 CG GLU A 3 -0.820 4.109 -18.938 1.00 1.00 C ATOM 41 CD GLU A 3 -0.074 4.196 -20.266 1.00 1.00 C ATOM 42 OE1 GLU A 3 -0.243 3.301 -21.078 1.00 1.00 O ATOM 43 OE2 GLU A 3 0.654 5.157 -20.452 1.00 1.00 O ATOM 0 H GLU A 3 -1.010 4.039 -15.527 1.00 1.00 H new ATOM 0 HA GLU A 3 -2.101 2.132 -17.500 1.00 1.00 H new ATOM 0 HB2 GLU A 3 0.697 3.358 -17.593 1.00 1.00 H new ATOM 0 HB3 GLU A 3 0.062 2.150 -18.693 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -1.876 3.907 -19.117 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.762 5.064 -18.415 1.00 1.00 H new ATOM 50 N GLY A 4 0.176 0.625 -16.687 1.00 1.00 N ATOM 51 CA GLY A 4 0.839 -0.427 -15.922 1.00 1.00 C ATOM 52 C GLY A 4 2.349 -0.230 -15.936 1.00 1.00 C ATOM 53 O GLY A 4 3.112 -1.192 -15.841 1.00 1.00 O ATOM 0 H GLY A 4 0.362 0.600 -17.690 1.00 1.00 H new ATOM 0 HA2 GLY A 4 0.476 -0.421 -14.894 1.00 1.00 H new ATOM 0 HA3 GLY A 4 0.590 -1.401 -16.342 1.00 1.00 H new ATOM 57 N GLY A 5 2.773 1.024 -16.056 1.00 1.00 N ATOM 58 CA GLY A 5 4.195 1.339 -16.084 1.00 1.00 C ATOM 59 C GLY A 5 4.499 2.562 -15.223 1.00 1.00 C ATOM 60 O GLY A 5 3.704 3.499 -15.157 1.00 1.00 O ATOM 0 H GLY A 5 2.156 1.833 -16.135 1.00 1.00 H new ATOM 0 HA2 GLY A 5 4.768 0.484 -15.724 1.00 1.00 H new ATOM 0 HA3 GLY A 5 4.510 1.525 -17.111 1.00 1.00 H new ATOM 64 N ASP A 6 5.655 2.544 -14.568 1.00 1.00 N ATOM 65 CA ASP A 6 6.054 3.657 -13.713 1.00 1.00 C ATOM 66 C ASP A 6 7.573 3.771 -13.657 1.00 1.00 C ATOM 67 O ASP A 6 8.290 2.917 -14.179 1.00 1.00 O ATOM 68 CB ASP A 6 5.503 3.455 -12.301 1.00 1.00 C ATOM 69 CG ASP A 6 5.523 4.776 -11.540 1.00 1.00 C ATOM 70 OD1 ASP A 6 5.050 5.759 -12.085 1.00 1.00 O ATOM 71 OD2 ASP A 6 6.012 4.785 -10.422 1.00 1.00 O ATOM 0 H ASP A 6 6.327 1.778 -14.612 1.00 1.00 H new ATOM 0 HA ASP A 6 5.647 4.577 -14.133 1.00 1.00 H new ATOM 0 HB2 ASP A 6 4.485 3.070 -12.351 1.00 1.00 H new ATOM 0 HB3 ASP A 6 6.099 2.712 -11.772 1.00 1.00 H new ATOM 76 N PHE A 7 8.060 4.831 -13.020 1.00 1.00 N ATOM 77 CA PHE A 7 9.497 5.047 -12.901 1.00 1.00 C ATOM 78 C PHE A 7 9.831 5.709 -11.569 1.00 1.00 C ATOM 79 O PHE A 7 9.452 6.853 -11.320 1.00 1.00 O ATOM 80 CB PHE A 7 9.989 5.931 -14.050 1.00 1.00 C ATOM 81 CG PHE A 7 10.251 5.076 -15.267 1.00 1.00 C ATOM 82 CD1 PHE A 7 9.224 4.838 -16.189 1.00 1.00 C ATOM 83 CD2 PHE A 7 11.519 4.521 -15.472 1.00 1.00 C ATOM 84 CE1 PHE A 7 9.467 4.045 -17.317 1.00 1.00 C ATOM 85 CE2 PHE A 7 11.762 3.728 -16.601 1.00 1.00 C ATOM 86 CZ PHE A 7 10.736 3.491 -17.522 1.00 1.00 C ATOM 0 H PHE A 7 7.485 5.550 -12.581 1.00 1.00 H new ATOM 0 HA PHE A 7 9.996 4.079 -12.948 1.00 1.00 H new ATOM 0 HB2 PHE A 7 9.245 6.693 -14.281 1.00 1.00 H new ATOM 0 HB3 PHE A 7 10.899 6.454 -13.757 1.00 1.00 H new ATOM 0 HD1 PHE A 7 8.245 5.266 -16.030 1.00 1.00 H new ATOM 0 HD2 PHE A 7 12.310 4.704 -14.760 1.00 1.00 H new ATOM 0 HE1 PHE A 7 8.676 3.861 -18.029 1.00 1.00 H new ATOM 0 HE2 PHE A 7 12.741 3.300 -16.760 1.00 1.00 H new ATOM 0 HZ PHE A 7 10.923 2.880 -18.392 1.00 1.00 H new ATOM 96 N ASP A 8 10.545 4.981 -10.715 1.00 1.00 N ATOM 97 CA ASP A 8 10.925 5.508 -9.410 1.00 1.00 C ATOM 98 C ASP A 8 12.184 4.816 -8.898 1.00 1.00 C ATOM 99 O ASP A 8 12.176 4.201 -7.833 1.00 1.00 O ATOM 100 CB ASP A 8 9.785 5.301 -8.411 1.00 1.00 C ATOM 101 CG ASP A 8 9.949 6.250 -7.228 1.00 1.00 C ATOM 102 OD1 ASP A 8 10.994 6.873 -7.135 1.00 1.00 O ATOM 103 OD2 ASP A 8 9.029 6.339 -6.433 1.00 1.00 O ATOM 0 H ASP A 8 10.869 4.032 -10.902 1.00 1.00 H new ATOM 0 HA ASP A 8 11.127 6.574 -9.515 1.00 1.00 H new ATOM 0 HB2 ASP A 8 8.826 5.477 -8.899 1.00 1.00 H new ATOM 0 HB3 ASP A 8 9.780 4.269 -8.062 1.00 1.00 H new ATOM 108 N ASN A 9 13.264 4.922 -9.665 1.00 1.00 N ATOM 109 CA ASN A 9 14.526 4.301 -9.280 1.00 1.00 C ATOM 110 C ASN A 9 15.704 5.072 -9.869 1.00 1.00 C ATOM 111 O ASN A 9 16.662 4.477 -10.364 1.00 1.00 O ATOM 112 CB ASN A 9 14.567 2.852 -9.769 1.00 1.00 C ATOM 113 CG ASN A 9 15.616 2.068 -8.987 1.00 1.00 C ATOM 114 OD1 ASN A 9 16.704 2.579 -8.724 1.00 1.00 O ATOM 115 ND2 ASN A 9 15.352 0.850 -8.600 1.00 1.00 N ATOM 0 H ASN A 9 13.291 5.428 -10.550 1.00 1.00 H new ATOM 0 HA ASN A 9 14.601 4.319 -8.193 1.00 1.00 H new ATOM 0 HB2 ASN A 9 13.588 2.390 -9.645 1.00 1.00 H new ATOM 0 HB3 ASN A 9 14.799 2.825 -10.834 1.00 1.00 H new ATOM 0 HD21 ASN A 9 16.049 0.319 -8.078 1.00 1.00 H new ATOM 0 HD22 ASN A 9 14.449 0.429 -8.820 1.00 1.00 H new ATOM 122 N TYR A 10 15.625 6.397 -9.813 1.00 1.00 N ATOM 123 CA TYR A 10 16.691 7.239 -10.343 1.00 1.00 C ATOM 124 C TYR A 10 18.018 6.915 -9.665 1.00 1.00 C ATOM 125 O TYR A 10 19.068 7.423 -10.059 1.00 1.00 O ATOM 126 CB TYR A 10 16.350 8.714 -10.123 1.00 1.00 C ATOM 127 CG TYR A 10 15.974 9.347 -11.442 1.00 1.00 C ATOM 128 CD1 TYR A 10 16.968 9.648 -12.381 1.00 1.00 C ATOM 129 CD2 TYR A 10 14.634 9.631 -11.724 1.00 1.00 C ATOM 130 CE1 TYR A 10 16.620 10.234 -13.604 1.00 1.00 C ATOM 131 CE2 TYR A 10 14.286 10.219 -12.948 1.00 1.00 C ATOM 132 CZ TYR A 10 15.278 10.519 -13.887 1.00 1.00 C ATOM 133 OH TYR A 10 14.936 11.097 -15.092 1.00 1.00 O ATOM 0 H TYR A 10 14.840 6.908 -9.409 1.00 1.00 H new ATOM 0 HA TYR A 10 16.785 7.043 -11.411 1.00 1.00 H new ATOM 0 HB2 TYR A 10 15.526 8.806 -9.415 1.00 1.00 H new ATOM 0 HB3 TYR A 10 17.203 9.234 -9.688 1.00 1.00 H new ATOM 0 HD1 TYR A 10 18.002 9.428 -12.162 1.00 1.00 H new ATOM 0 HD2 TYR A 10 13.868 9.398 -10.999 1.00 1.00 H new ATOM 0 HE1 TYR A 10 17.386 10.466 -14.329 1.00 1.00 H new ATOM 0 HE2 TYR A 10 13.252 10.440 -13.166 1.00 1.00 H new ATOM 0 HH TYR A 10 13.965 11.227 -15.129 1.00 1.00 H new ATOM 143 N TYR A 11 17.964 6.066 -8.643 1.00 1.00 N ATOM 144 CA TYR A 11 19.168 5.682 -7.918 1.00 1.00 C ATOM 145 C TYR A 11 20.247 5.203 -8.885 1.00 1.00 C ATOM 146 O TYR A 11 20.044 4.247 -9.631 1.00 1.00 O ATOM 147 CB TYR A 11 18.844 4.568 -6.920 1.00 1.00 C ATOM 148 CG TYR A 11 18.163 5.159 -5.709 1.00 1.00 C ATOM 149 CD1 TYR A 11 18.905 5.898 -4.780 1.00 1.00 C ATOM 150 CD2 TYR A 11 16.790 4.967 -5.514 1.00 1.00 C ATOM 151 CE1 TYR A 11 18.275 6.446 -3.657 1.00 1.00 C ATOM 152 CE2 TYR A 11 16.159 5.515 -4.391 1.00 1.00 C ATOM 153 CZ TYR A 11 16.902 6.253 -3.462 1.00 1.00 C ATOM 154 OH TYR A 11 16.280 6.794 -2.354 1.00 1.00 O ATOM 0 H TYR A 11 17.106 5.634 -8.301 1.00 1.00 H new ATOM 0 HA TYR A 11 19.539 6.555 -7.381 1.00 1.00 H new ATOM 0 HB2 TYR A 11 18.198 3.824 -7.386 1.00 1.00 H new ATOM 0 HB3 TYR A 11 19.758 4.055 -6.622 1.00 1.00 H new ATOM 0 HD1 TYR A 11 19.964 6.045 -4.930 1.00 1.00 H new ATOM 0 HD2 TYR A 11 16.218 4.396 -6.230 1.00 1.00 H new ATOM 0 HE1 TYR A 11 18.847 7.017 -2.941 1.00 1.00 H new ATOM 0 HE2 TYR A 11 15.099 5.369 -4.241 1.00 1.00 H new ATOM 0 HH TYR A 11 15.327 6.568 -2.371 1.00 1.00 H new ATOM 164 N GLY A 12 21.392 5.876 -8.864 1.00 1.00 N ATOM 165 CA GLY A 12 22.497 5.511 -9.744 1.00 1.00 C ATOM 166 C GLY A 12 23.740 6.333 -9.427 1.00 1.00 C ATOM 167 O GLY A 12 24.330 6.952 -10.313 1.00 1.00 O ATOM 0 H GLY A 12 21.579 6.671 -8.253 1.00 1.00 H new ATOM 0 HA2 GLY A 12 22.720 4.450 -9.633 1.00 1.00 H new ATOM 0 HA3 GLY A 12 22.207 5.669 -10.783 1.00 1.00 H new ATOM 171 N ALA A 13 24.135 6.336 -8.158 1.00 1.00 N ATOM 172 CA ALA A 13 25.311 7.087 -7.735 1.00 1.00 C ATOM 173 C ALA A 13 26.535 6.178 -7.677 1.00 1.00 C ATOM 174 O ALA A 13 27.189 6.068 -6.640 1.00 1.00 O ATOM 175 CB ALA A 13 25.068 7.708 -6.358 1.00 1.00 C ATOM 0 H ALA A 13 23.662 5.830 -7.409 1.00 1.00 H new ATOM 0 HA ALA A 13 25.494 7.878 -8.462 1.00 1.00 H new ATOM 0 HB1 ALA A 13 25.952 8.267 -6.050 1.00 1.00 H new ATOM 0 HB2 ALA A 13 24.212 8.381 -6.408 1.00 1.00 H new ATOM 0 HB3 ALA A 13 24.867 6.919 -5.633 1.00 1.00 H new ATOM 181 N ASP A 14 26.838 5.530 -8.797 1.00 1.00 N ATOM 182 CA ASP A 14 27.986 4.633 -8.861 1.00 1.00 C ATOM 183 C ASP A 14 29.286 5.429 -8.917 1.00 1.00 C ATOM 184 O ASP A 14 30.023 5.365 -9.901 1.00 1.00 O ATOM 185 CB ASP A 14 27.880 3.738 -10.098 1.00 1.00 C ATOM 186 CG ASP A 14 26.522 3.046 -10.126 1.00 1.00 C ATOM 187 OD1 ASP A 14 25.545 3.713 -10.422 1.00 1.00 O ATOM 188 OD2 ASP A 14 26.479 1.858 -9.850 1.00 1.00 O ATOM 0 H ASP A 14 26.310 5.608 -9.666 1.00 1.00 H new ATOM 0 HA ASP A 14 27.991 4.014 -7.964 1.00 1.00 H new ATOM 0 HB2 ASP A 14 28.012 4.334 -11.001 1.00 1.00 H new ATOM 0 HB3 ASP A 14 28.676 2.994 -10.088 1.00 1.00 H new ATOM 193 N ASN A 15 29.561 6.179 -7.855 1.00 1.00 N ATOM 194 CA ASN A 15 30.774 6.984 -7.794 1.00 1.00 C ATOM 195 C ASN A 15 31.226 7.164 -6.348 1.00 1.00 C ATOM 196 O ASN A 15 31.725 8.224 -5.970 1.00 1.00 O ATOM 197 CB ASN A 15 30.525 8.354 -8.426 1.00 1.00 C ATOM 198 CG ASN A 15 30.468 8.225 -9.944 1.00 1.00 C ATOM 199 OD1 ASN A 15 31.432 7.612 -10.575 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 29.519 8.693 -10.573 1.00 1.00 N flip ATOM 0 H ASN A 15 28.964 6.246 -7.030 1.00 1.00 H new ATOM 0 HA ASN A 15 31.558 6.466 -8.347 1.00 1.00 H new ATOM 0 HB2 ASN A 15 29.590 8.771 -8.053 1.00 1.00 H new ATOM 0 HB3 ASN A 15 31.318 9.045 -8.141 1.00 1.00 H new ATOM 0 HD21 ASN A 15 28.766 9.172 -10.079 1.00 1.00 H new ATOM 0 HD22 ASN A 15 29.486 8.602 -11.588 1.00 1.00 H new ATOM 207 N GLN A 16 31.048 6.121 -5.543 1.00 1.00 N ATOM 208 CA GLN A 16 31.441 6.175 -4.140 1.00 1.00 C ATOM 209 C GLN A 16 32.871 5.675 -3.964 1.00 1.00 C ATOM 210 O GLN A 16 33.103 4.635 -3.346 1.00 1.00 O ATOM 211 CB GLN A 16 30.491 5.321 -3.298 1.00 1.00 C ATOM 212 CG GLN A 16 30.559 3.867 -3.769 1.00 1.00 C ATOM 213 CD GLN A 16 29.157 3.270 -3.821 1.00 1.00 C ATOM 214 OE1 GLN A 16 28.912 2.207 -3.249 1.00 1.00 O ATOM 215 NE2 GLN A 16 28.215 3.893 -4.475 1.00 1.00 N ATOM 0 H GLN A 16 30.637 5.234 -5.836 1.00 1.00 H new ATOM 0 HA GLN A 16 31.388 7.212 -3.807 1.00 1.00 H new ATOM 0 HB2 GLN A 16 30.763 5.386 -2.245 1.00 1.00 H new ATOM 0 HB3 GLN A 16 29.472 5.696 -3.388 1.00 1.00 H new ATOM 0 HG2 GLN A 16 31.021 3.817 -4.755 1.00 1.00 H new ATOM 0 HG3 GLN A 16 31.186 3.286 -3.093 1.00 1.00 H new ATOM 0 HE21 GLN A 16 28.419 4.773 -4.948 1.00 1.00 H new ATOM 0 HE22 GLN A 16 27.275 3.500 -4.513 1.00 1.00 H new ATOM 224 N SER A 17 33.825 6.420 -4.511 1.00 1.00 N ATOM 225 CA SER A 17 35.230 6.041 -4.410 1.00 1.00 C ATOM 226 C SER A 17 35.923 6.845 -3.314 1.00 1.00 C ATOM 227 O SER A 17 36.274 8.008 -3.512 1.00 1.00 O ATOM 228 CB SER A 17 35.934 6.282 -5.745 1.00 1.00 C ATOM 229 OG SER A 17 37.236 5.713 -5.699 1.00 1.00 O ATOM 0 H SER A 17 33.654 7.284 -5.025 1.00 1.00 H new ATOM 0 HA SER A 17 35.284 4.982 -4.158 1.00 1.00 H new ATOM 0 HB2 SER A 17 35.359 5.838 -6.558 1.00 1.00 H new ATOM 0 HB3 SER A 17 35.999 7.351 -5.947 1.00 1.00 H new ATOM 0 HG SER A 17 37.690 5.865 -6.554 1.00 1.00 H new ATOM 235 N GLU A 18 36.117 6.217 -2.160 1.00 1.00 N ATOM 236 CA GLU A 18 36.770 6.883 -1.038 1.00 1.00 C ATOM 237 C GLU A 18 37.716 5.924 -0.322 1.00 1.00 C ATOM 238 O GLU A 18 37.409 4.744 -0.156 1.00 1.00 O ATOM 239 CB GLU A 18 35.719 7.400 -0.054 1.00 1.00 C ATOM 240 CG GLU A 18 35.320 8.826 -0.433 1.00 1.00 C ATOM 241 CD GLU A 18 34.202 9.317 0.481 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.266 8.565 0.695 1.00 1.00 O ATOM 243 OE2 GLU A 18 34.299 10.437 0.954 1.00 1.00 O ATOM 0 H GLU A 18 35.834 5.254 -1.977 1.00 1.00 H new ATOM 0 HA GLU A 18 37.348 7.723 -1.424 1.00 1.00 H new ATOM 0 HB2 GLU A 18 34.843 6.751 -0.067 1.00 1.00 H new ATOM 0 HB3 GLU A 18 36.116 7.380 0.961 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.183 9.487 -0.353 1.00 1.00 H new ATOM 0 HG3 GLU A 18 34.991 8.856 -1.472 1.00 1.00 H new ATOM 250 N CYS A 19 38.866 6.440 0.099 1.00 1.00 N ATOM 251 CA CYS A 19 39.849 5.620 0.796 1.00 1.00 C ATOM 252 C CYS A 19 39.755 5.834 2.304 1.00 1.00 C ATOM 253 O CYS A 19 40.715 5.593 3.035 1.00 1.00 O ATOM 254 CB CYS A 19 41.259 5.974 0.317 1.00 1.00 C ATOM 255 SG CYS A 19 41.494 7.766 0.404 1.00 1.00 S ATOM 0 H CYS A 19 39.139 7.415 -0.029 1.00 1.00 H new ATOM 0 HA CYS A 19 39.641 4.573 0.575 1.00 1.00 H new ATOM 0 HB2 CYS A 19 42.002 5.469 0.934 1.00 1.00 H new ATOM 0 HB3 CYS A 19 41.405 5.627 -0.706 1.00 1.00 H new ATOM 0 HG CYS A 19 42.692 8.067 -0.001 1.00 1.00 H new ATOM 261 N GLU A 20 38.592 6.288 2.760 1.00 1.00 N ATOM 262 CA GLU A 20 38.384 6.531 4.183 1.00 1.00 C ATOM 263 C GLU A 20 37.006 6.040 4.614 1.00 1.00 C ATOM 264 O GLU A 20 36.854 5.447 5.683 1.00 1.00 O ATOM 265 CB GLU A 20 38.512 8.026 4.482 1.00 1.00 C ATOM 266 CG GLU A 20 39.566 8.240 5.571 1.00 1.00 C ATOM 267 CD GLU A 20 39.669 9.722 5.913 1.00 1.00 C ATOM 268 OE1 GLU A 20 38.669 10.287 6.324 1.00 1.00 O ATOM 269 OE2 GLU A 20 40.747 10.272 5.759 1.00 1.00 O ATOM 0 H GLU A 20 37.785 6.494 2.171 1.00 1.00 H new ATOM 0 HA GLU A 20 39.143 5.983 4.741 1.00 1.00 H new ATOM 0 HB2 GLU A 20 38.793 8.566 3.578 1.00 1.00 H new ATOM 0 HB3 GLU A 20 37.552 8.426 4.807 1.00 1.00 H new ATOM 0 HG2 GLU A 20 39.301 7.670 6.462 1.00 1.00 H new ATOM 0 HG3 GLU A 20 40.533 7.869 5.231 1.00 1.00 H new ATOM 276 N TYR A 21 36.005 6.291 3.778 1.00 1.00 N ATOM 277 CA TYR A 21 34.643 5.869 4.083 1.00 1.00 C ATOM 278 C TYR A 21 34.614 4.395 4.473 1.00 1.00 C ATOM 279 O TYR A 21 33.610 3.898 4.984 1.00 1.00 O ATOM 280 CB TYR A 21 33.741 6.096 2.869 1.00 1.00 C ATOM 281 CG TYR A 21 33.478 4.775 2.184 1.00 1.00 C ATOM 282 CD1 TYR A 21 34.434 4.237 1.313 1.00 1.00 C ATOM 283 CD2 TYR A 21 32.281 4.090 2.419 1.00 1.00 C ATOM 284 CE1 TYR A 21 34.192 3.014 0.678 1.00 1.00 C ATOM 285 CE2 TYR A 21 32.038 2.867 1.784 1.00 1.00 C ATOM 286 CZ TYR A 21 32.994 2.328 0.914 1.00 1.00 C ATOM 287 OH TYR A 21 32.754 1.122 0.287 1.00 1.00 O ATOM 0 H TYR A 21 36.109 6.781 2.890 1.00 1.00 H new ATOM 0 HA TYR A 21 34.278 6.462 4.921 1.00 1.00 H new ATOM 0 HB2 TYR A 21 32.800 6.550 3.181 1.00 1.00 H new ATOM 0 HB3 TYR A 21 34.215 6.790 2.175 1.00 1.00 H new ATOM 0 HD1 TYR A 21 35.358 4.766 1.132 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.544 4.505 3.091 1.00 1.00 H new ATOM 0 HE1 TYR A 21 34.929 2.599 0.006 1.00 1.00 H new ATOM 0 HE2 TYR A 21 31.113 2.339 1.965 1.00 1.00 H new ATOM 0 HH TYR A 21 31.878 0.779 0.561 1.00 1.00 H new ATOM 297 N THR A 22 35.721 3.701 4.230 1.00 1.00 N ATOM 298 CA THR A 22 35.811 2.284 4.559 1.00 1.00 C ATOM 299 C THR A 22 36.602 2.082 5.847 1.00 1.00 C ATOM 300 O THR A 22 36.351 1.141 6.600 1.00 1.00 O ATOM 301 CB THR A 22 36.490 1.524 3.418 1.00 1.00 C ATOM 302 OG1 THR A 22 35.620 1.483 2.295 1.00 1.00 O ATOM 303 CG2 THR A 22 36.811 0.099 3.870 1.00 1.00 C ATOM 0 H THR A 22 36.563 4.094 3.809 1.00 1.00 H new ATOM 0 HA THR A 22 34.801 1.899 4.701 1.00 1.00 H new ATOM 0 HB THR A 22 37.415 2.031 3.143 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.364 2.396 2.046 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.295 -0.441 3.056 1.00 1.00 H new ATOM 0 HG22 THR A 22 37.479 0.132 4.731 1.00 1.00 H new ATOM 0 HG23 THR A 22 35.888 -0.412 4.146 1.00 1.00 H new ATOM 311 N ASP A 23 37.557 2.972 6.095 1.00 1.00 N ATOM 312 CA ASP A 23 38.379 2.881 7.297 1.00 1.00 C ATOM 313 C ASP A 23 37.875 3.847 8.365 1.00 1.00 C ATOM 314 O ASP A 23 38.619 4.238 9.263 1.00 1.00 O ATOM 315 CB ASP A 23 39.835 3.206 6.959 1.00 1.00 C ATOM 316 CG ASP A 23 40.770 2.352 7.813 1.00 1.00 C ATOM 317 OD1 ASP A 23 40.830 2.591 9.007 1.00 1.00 O ATOM 318 OD2 ASP A 23 41.408 1.474 7.258 1.00 1.00 O ATOM 0 H ASP A 23 37.780 3.759 5.485 1.00 1.00 H new ATOM 0 HA ASP A 23 38.314 1.864 7.683 1.00 1.00 H new ATOM 0 HB2 ASP A 23 40.022 3.019 5.902 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.031 4.264 7.136 1.00 1.00 H new ATOM 323 N TRP A 24 36.606 4.228 8.259 1.00 1.00 N ATOM 324 CA TRP A 24 36.012 5.148 9.222 1.00 1.00 C ATOM 325 C TRP A 24 36.257 4.664 10.651 1.00 1.00 C ATOM 326 O TRP A 24 37.353 4.825 11.188 1.00 1.00 O ATOM 327 CB TRP A 24 34.507 5.283 8.961 1.00 1.00 C ATOM 328 CG TRP A 24 33.956 3.980 8.467 1.00 1.00 C ATOM 329 CD1 TRP A 24 34.445 2.757 8.772 1.00 1.00 C ATOM 330 CD2 TRP A 24 32.816 3.757 7.586 1.00 1.00 C ATOM 331 NE1 TRP A 24 33.679 1.797 8.136 1.00 1.00 N ATOM 332 CE2 TRP A 24 32.663 2.364 7.392 1.00 1.00 C ATOM 333 CE3 TRP A 24 31.909 4.620 6.944 1.00 1.00 C ATOM 334 CZ2 TRP A 24 31.646 1.844 6.590 1.00 1.00 C ATOM 335 CZ3 TRP A 24 30.885 4.100 6.135 1.00 1.00 C ATOM 336 CH2 TRP A 24 30.754 2.716 5.958 1.00 1.00 C ATOM 0 H TRP A 24 35.973 3.917 7.522 1.00 1.00 H new ATOM 0 HA TRP A 24 36.482 6.124 9.103 1.00 1.00 H new ATOM 0 HB2 TRP A 24 33.996 5.580 9.877 1.00 1.00 H new ATOM 0 HB3 TRP A 24 34.325 6.067 8.226 1.00 1.00 H new ATOM 0 HD1 TRP A 24 35.295 2.562 9.409 1.00 1.00 H new ATOM 0 HE1 TRP A 24 33.844 0.793 8.208 1.00 1.00 H new ATOM 0 HE3 TRP A 24 32.001 5.688 7.074 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 31.549 0.776 6.459 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 30.194 4.771 5.646 1.00 1.00 H new ATOM 0 HH2 TRP A 24 29.965 2.323 5.334 1.00 1.00 H new ATOM 347 N LYS A 25 35.235 4.073 11.262 1.00 1.00 N ATOM 348 CA LYS A 25 35.359 3.573 12.627 1.00 1.00 C ATOM 349 C LYS A 25 35.576 2.062 12.626 1.00 1.00 C ATOM 350 O LYS A 25 34.633 1.290 12.803 1.00 1.00 O ATOM 351 CB LYS A 25 34.098 3.909 13.424 1.00 1.00 C ATOM 352 CG LYS A 25 32.868 3.390 12.677 1.00 1.00 C ATOM 353 CD LYS A 25 31.961 4.565 12.307 1.00 1.00 C ATOM 354 CE LYS A 25 30.780 4.058 11.478 1.00 1.00 C ATOM 355 NZ LYS A 25 29.769 5.145 11.337 1.00 1.00 N ATOM 0 H LYS A 25 34.319 3.929 10.838 1.00 1.00 H new ATOM 0 HA LYS A 25 36.220 4.052 13.093 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.151 3.459 14.415 1.00 1.00 H new ATOM 0 HB3 LYS A 25 34.022 4.987 13.567 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.174 2.856 11.777 1.00 1.00 H new ATOM 0 HG3 LYS A 25 32.324 2.679 13.300 1.00 1.00 H new ATOM 0 HD2 LYS A 25 31.600 5.058 13.210 1.00 1.00 H new ATOM 0 HD3 LYS A 25 32.523 5.308 11.742 1.00 1.00 H new ATOM 0 HE2 LYS A 25 31.123 3.736 10.495 1.00 1.00 H new ATOM 0 HE3 LYS A 25 30.331 3.189 11.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 28.966 4.801 10.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 29.434 5.432 12.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 30.202 5.962 10.860 1.00 1.00 H new ATOM 369 N SER A 26 36.823 1.648 12.427 1.00 1.00 N ATOM 370 CA SER A 26 37.152 0.228 12.406 1.00 1.00 C ATOM 371 C SER A 26 38.601 0.007 12.827 1.00 1.00 C ATOM 372 O SER A 26 38.877 -0.360 13.969 1.00 1.00 O ATOM 373 CB SER A 26 36.935 -0.337 11.002 1.00 1.00 C ATOM 374 OG SER A 26 35.627 -0.888 10.914 1.00 1.00 O ATOM 0 H SER A 26 37.617 2.271 12.279 1.00 1.00 H new ATOM 0 HA SER A 26 36.499 -0.287 13.110 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.062 0.449 10.258 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.680 -1.103 10.787 1.00 1.00 H new ATOM 0 HG SER A 26 35.009 -0.352 11.454 1.00 1.00 H new ATOM 380 N SER A 27 39.523 0.232 11.896 1.00 1.00 N ATOM 381 CA SER A 27 40.942 0.055 12.182 1.00 1.00 C ATOM 382 C SER A 27 41.208 -1.342 12.735 1.00 1.00 C ATOM 383 O SER A 27 42.096 -1.532 13.565 1.00 1.00 O ATOM 384 CB SER A 27 41.406 1.104 13.193 1.00 1.00 C ATOM 385 OG SER A 27 42.789 1.363 12.999 1.00 1.00 O ATOM 0 H SER A 27 39.315 0.535 10.944 1.00 1.00 H new ATOM 0 HA SER A 27 41.498 0.176 11.253 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.832 2.022 13.071 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.229 0.750 14.209 1.00 1.00 H new ATOM 0 HG SER A 27 43.089 2.036 13.645 1.00 1.00 H new ATOM 391 N GLY A 28 40.431 -2.315 12.268 1.00 1.00 N ATOM 392 CA GLY A 28 40.592 -3.690 12.722 1.00 1.00 C ATOM 393 C GLY A 28 39.994 -3.877 14.113 1.00 1.00 C ATOM 394 O GLY A 28 40.091 -4.954 14.702 1.00 1.00 O ATOM 0 H GLY A 28 39.690 -2.178 11.581 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.108 -4.368 12.019 1.00 1.00 H new ATOM 0 HA3 GLY A 28 41.650 -3.950 12.739 1.00 1.00 H new ATOM 398 N ALA A 29 39.375 -2.821 14.633 1.00 1.00 N ATOM 399 CA ALA A 29 38.765 -2.882 15.955 1.00 1.00 C ATOM 400 C ALA A 29 39.764 -3.402 16.984 1.00 1.00 C ATOM 401 O ALA A 29 39.442 -4.277 17.787 1.00 1.00 O ATOM 402 CB ALA A 29 37.539 -3.795 15.924 1.00 1.00 C ATOM 0 H ALA A 29 39.283 -1.920 14.163 1.00 1.00 H new ATOM 0 HA ALA A 29 38.460 -1.875 16.239 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.090 -3.835 16.916 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.812 -3.404 15.212 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.840 -4.798 15.622 1.00 1.00 H new ATOM 408 N LEU A 30 40.977 -2.858 16.951 1.00 1.00 N ATOM 409 CA LEU A 30 42.017 -3.275 17.885 1.00 1.00 C ATOM 410 C LEU A 30 42.754 -2.060 18.440 1.00 1.00 C ATOM 411 O LEU A 30 43.979 -1.992 18.385 1.00 1.00 O ATOM 412 CB LEU A 30 43.012 -4.199 17.181 1.00 1.00 C ATOM 413 CG LEU A 30 42.392 -5.588 17.017 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.829 -6.189 15.680 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.862 -6.492 18.160 1.00 1.00 C ATOM 0 H LEU A 30 41.262 -2.133 16.293 1.00 1.00 H new ATOM 0 HA LEU A 30 41.546 -3.810 18.710 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.277 -3.790 16.206 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.933 -4.267 17.759 1.00 1.00 H new ATOM 0 HG LEU A 30 41.305 -5.506 17.039 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.387 -7.179 15.564 1.00 1.00 H new ATOM 0 HD12 LEU A 30 42.496 -5.545 14.866 1.00 1.00 H new ATOM 0 HD13 LEU A 30 43.916 -6.272 15.656 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.421 -7.482 18.045 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.949 -6.573 18.136 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.551 -6.065 19.113 1.00 1.00 H new ATOM 427 N ILE A 31 41.989 -1.109 18.976 1.00 1.00 N ATOM 428 CA ILE A 31 42.547 0.118 19.556 1.00 1.00 C ATOM 429 C ILE A 31 41.427 1.120 19.841 1.00 1.00 C ATOM 430 O ILE A 31 41.434 1.782 20.878 1.00 1.00 O ATOM 431 CB ILE A 31 43.617 0.747 18.626 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.008 0.602 19.274 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.336 2.242 18.364 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.131 1.513 20.501 1.00 1.00 C ATOM 0 H ILE A 31 40.972 -1.164 19.022 1.00 1.00 H new ATOM 0 HA ILE A 31 43.037 -0.142 20.494 1.00 1.00 H new ATOM 0 HB ILE A 31 43.583 0.221 17.672 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.172 -0.435 19.567 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.781 0.855 18.548 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.107 2.648 17.709 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.361 2.351 17.889 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.341 2.784 19.309 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.120 1.396 20.944 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.989 2.551 20.199 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.371 1.241 21.234 1.00 1.00 H new ATOM 446 N PRO A 32 40.473 1.253 18.947 1.00 1.00 N ATOM 447 CA PRO A 32 39.339 2.208 19.125 1.00 1.00 C ATOM 448 C PRO A 32 38.442 1.817 20.296 1.00 1.00 C ATOM 449 O PRO A 32 38.000 2.673 21.063 1.00 1.00 O ATOM 450 CB PRO A 32 38.568 2.135 17.797 1.00 1.00 C ATOM 451 CG PRO A 32 39.468 1.426 16.837 1.00 1.00 C ATOM 452 CD PRO A 32 40.358 0.520 17.678 1.00 1.00 C ATOM 0 HA PRO A 32 39.691 3.214 19.355 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.628 1.597 17.921 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.319 3.133 17.435 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.890 0.845 16.118 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.065 2.137 16.266 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.912 -0.464 17.820 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.331 0.365 17.212 1.00 1.00 H new ATOM 460 N ALA A 33 38.178 0.521 20.428 1.00 1.00 N ATOM 461 CA ALA A 33 37.335 0.031 21.511 1.00 1.00 C ATOM 462 C ALA A 33 37.852 0.525 22.859 1.00 1.00 C ATOM 463 O ALA A 33 37.090 0.655 23.817 1.00 1.00 O ATOM 464 CB ALA A 33 37.310 -1.499 21.504 1.00 1.00 C ATOM 0 H ALA A 33 38.533 -0.203 19.804 1.00 1.00 H new ATOM 0 HA ALA A 33 36.325 0.412 21.359 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.678 -1.856 22.317 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.912 -1.852 20.553 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.322 -1.880 21.638 1.00 1.00 H new ATOM 470 N ILE A 34 39.151 0.799 22.923 1.00 1.00 N ATOM 471 CA ILE A 34 39.760 1.279 24.157 1.00 1.00 C ATOM 472 C ILE A 34 39.566 2.785 24.295 1.00 1.00 C ATOM 473 O ILE A 34 39.419 3.304 25.402 1.00 1.00 O ATOM 474 CB ILE A 34 41.253 0.951 24.165 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.441 -0.566 24.232 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.913 1.600 25.384 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.889 -0.918 23.888 1.00 1.00 C ATOM 0 H ILE A 34 39.798 0.698 22.141 1.00 1.00 H new ATOM 0 HA ILE A 34 39.277 0.782 24.998 1.00 1.00 H new ATOM 0 HB ILE A 34 41.714 1.336 23.255 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.195 -0.930 25.230 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.761 -1.058 23.536 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.978 1.366 25.389 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.779 2.681 25.338 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.453 1.216 26.294 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.022 -1.999 23.936 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.119 -0.568 22.882 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.559 -0.438 24.601 1.00 1.00 H new ATOM 489 N TYR A 35 39.567 3.481 23.163 1.00 1.00 N ATOM 490 CA TYR A 35 39.389 4.927 23.166 1.00 1.00 C ATOM 491 C TYR A 35 37.992 5.292 23.657 1.00 1.00 C ATOM 492 O TYR A 35 37.823 6.225 24.443 1.00 1.00 O ATOM 493 CB TYR A 35 39.597 5.480 21.755 1.00 1.00 C ATOM 494 CG TYR A 35 40.709 6.501 21.771 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.489 7.768 22.325 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.960 6.182 21.229 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.521 8.714 22.338 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.991 7.128 21.241 1.00 1.00 C ATOM 499 CZ TYR A 35 42.772 8.395 21.797 1.00 1.00 C ATOM 500 OH TYR A 35 43.788 9.328 21.809 1.00 1.00 O ATOM 0 H TYR A 35 39.688 3.070 22.238 1.00 1.00 H new ATOM 0 HA TYR A 35 40.125 5.365 23.840 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.843 4.670 21.068 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.676 5.936 21.393 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.524 8.015 22.742 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.129 5.205 20.801 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.352 9.691 22.766 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.955 6.881 20.822 1.00 1.00 H new ATOM 0 HH TYR A 35 44.589 8.944 21.396 1.00 1.00 H new ATOM 510 N MET A 36 36.996 4.548 23.190 1.00 1.00 N ATOM 511 CA MET A 36 35.617 4.798 23.588 1.00 1.00 C ATOM 512 C MET A 36 35.390 4.362 25.033 1.00 1.00 C ATOM 513 O MET A 36 34.639 4.995 25.772 1.00 1.00 O ATOM 514 CB MET A 36 34.662 4.037 22.667 1.00 1.00 C ATOM 515 CG MET A 36 34.939 2.536 22.776 1.00 1.00 C ATOM 516 SD MET A 36 33.950 1.643 21.548 1.00 1.00 S ATOM 517 CE MET A 36 34.758 2.291 20.063 1.00 1.00 C ATOM 0 H MET A 36 37.117 3.772 22.540 1.00 1.00 H new ATOM 0 HA MET A 36 35.423 5.868 23.508 1.00 1.00 H new ATOM 0 HB2 MET A 36 33.629 4.248 22.942 1.00 1.00 H new ATOM 0 HB3 MET A 36 34.792 4.368 21.637 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.999 2.339 22.616 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.697 2.183 23.779 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.075 2.960 19.540 1.00 1.00 H new ATOM 0 HE2 MET A 36 35.656 2.839 20.347 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.030 1.464 19.407 1.00 1.00 H new ATOM 527 N LEU A 37 36.047 3.275 25.425 1.00 1.00 N ATOM 528 CA LEU A 37 35.911 2.760 26.782 1.00 1.00 C ATOM 529 C LEU A 37 36.181 3.865 27.798 1.00 1.00 C ATOM 530 O LEU A 37 35.636 3.854 28.902 1.00 1.00 O ATOM 531 CB LEU A 37 36.892 1.602 27.000 1.00 1.00 C ATOM 532 CG LEU A 37 36.659 0.962 28.376 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.264 0.332 28.437 1.00 1.00 C ATOM 534 CD2 LEU A 37 37.712 -0.125 28.610 1.00 1.00 C ATOM 0 H LEU A 37 36.674 2.737 24.827 1.00 1.00 H new ATOM 0 HA LEU A 37 34.892 2.399 26.919 1.00 1.00 H new ATOM 0 HB2 LEU A 37 36.764 0.855 26.217 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.917 1.966 26.929 1.00 1.00 H new ATOM 0 HG LEU A 37 36.737 1.731 29.144 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.111 -0.119 29.418 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.510 1.101 28.269 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.177 -0.435 27.668 1.00 1.00 H new ATOM 0 HD21 LEU A 37 37.551 -0.583 29.586 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.628 -0.886 27.834 1.00 1.00 H new ATOM 0 HD23 LEU A 37 38.707 0.319 28.577 1.00 1.00 H new ATOM 546 N VAL A 38 37.026 4.817 27.417 1.00 1.00 N ATOM 547 CA VAL A 38 37.364 5.928 28.301 1.00 1.00 C ATOM 548 C VAL A 38 36.638 7.198 27.866 1.00 1.00 C ATOM 549 O VAL A 38 37.182 8.298 27.968 1.00 1.00 O ATOM 550 CB VAL A 38 38.873 6.169 28.282 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.270 7.019 29.491 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.604 4.826 28.343 1.00 1.00 C ATOM 0 H VAL A 38 37.487 4.843 26.508 1.00 1.00 H new ATOM 0 HA VAL A 38 37.050 5.672 29.313 1.00 1.00 H new ATOM 0 HB VAL A 38 39.145 6.691 27.365 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.346 7.191 29.477 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.749 7.976 29.450 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.998 6.497 30.408 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.680 4.997 28.329 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.331 4.304 29.260 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.322 4.219 27.483 1.00 1.00 H new ATOM 562 N PHE A 39 35.411 7.035 27.380 1.00 1.00 N ATOM 563 CA PHE A 39 34.617 8.174 26.931 1.00 1.00 C ATOM 564 C PHE A 39 33.205 8.103 27.504 1.00 1.00 C ATOM 565 O PHE A 39 32.625 9.122 27.878 1.00 1.00 O ATOM 566 CB PHE A 39 34.549 8.192 25.403 1.00 1.00 C ATOM 567 CG PHE A 39 33.511 9.192 24.955 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.768 10.564 25.065 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.292 8.748 24.429 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.805 11.492 24.650 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.329 9.677 24.014 1.00 1.00 C ATOM 572 CZ PHE A 39 31.586 11.048 24.124 1.00 1.00 C ATOM 0 H PHE A 39 34.947 6.131 27.287 1.00 1.00 H new ATOM 0 HA PHE A 39 35.094 9.088 27.285 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.523 8.453 24.988 1.00 1.00 H new ATOM 0 HB3 PHE A 39 34.298 7.200 25.028 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.709 10.906 25.470 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.094 7.690 24.343 1.00 1.00 H new ATOM 0 HE1 PHE A 39 33.003 12.550 24.736 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.388 9.335 23.609 1.00 1.00 H new ATOM 0 HZ PHE A 39 30.844 11.764 23.803 1.00 1.00 H new ATOM 582 N LEU A 40 32.659 6.893 27.571 1.00 1.00 N ATOM 583 CA LEU A 40 31.314 6.703 28.102 1.00 1.00 C ATOM 584 C LEU A 40 31.286 6.992 29.600 1.00 1.00 C ATOM 585 O LEU A 40 30.226 7.247 30.173 1.00 1.00 O ATOM 586 CB LEU A 40 30.847 5.270 27.845 1.00 1.00 C ATOM 587 CG LEU A 40 31.781 4.290 28.556 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.017 3.571 29.669 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.299 3.259 27.549 1.00 1.00 C ATOM 0 H LEU A 40 33.122 6.036 27.267 1.00 1.00 H new ATOM 0 HA LEU A 40 30.642 7.397 27.597 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.826 5.140 28.204 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.837 5.067 26.774 1.00 1.00 H new ATOM 0 HG LEU A 40 32.621 4.836 28.985 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.683 2.873 30.175 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.645 4.303 30.386 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.177 3.025 29.240 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.965 2.560 28.054 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.458 2.714 27.121 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.843 3.769 26.754 1.00 1.00 H new ATOM 601 N LEU A 41 32.455 6.949 30.228 1.00 1.00 N ATOM 602 CA LEU A 41 32.554 7.210 31.660 1.00 1.00 C ATOM 603 C LEU A 41 32.348 8.693 31.948 1.00 1.00 C ATOM 604 O LEU A 41 31.690 9.060 32.922 1.00 1.00 O ATOM 605 CB LEU A 41 33.928 6.775 32.177 1.00 1.00 C ATOM 606 CG LEU A 41 34.151 5.289 31.875 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.555 4.884 32.326 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.114 4.445 32.624 1.00 1.00 C ATOM 0 H LEU A 41 33.343 6.737 29.772 1.00 1.00 H new ATOM 0 HA LEU A 41 31.777 6.640 32.169 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.709 7.372 31.707 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.995 6.951 33.251 1.00 1.00 H new ATOM 0 HG LEU A 41 34.046 5.121 30.803 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.715 3.827 32.112 1.00 1.00 H new ATOM 0 HD12 LEU A 41 36.295 5.479 31.791 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.657 5.057 33.397 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.277 3.390 32.406 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.214 4.613 33.696 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.112 4.731 32.304 1.00 1.00 H new ATOM 620 N GLY A 42 32.912 9.541 31.095 1.00 1.00 N ATOM 621 CA GLY A 42 32.783 10.983 31.267 1.00 1.00 C ATOM 622 C GLY A 42 31.317 11.401 31.271 1.00 1.00 C ATOM 623 O GLY A 42 30.912 12.275 32.039 1.00 1.00 O ATOM 0 H GLY A 42 33.460 9.257 30.283 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.254 11.285 32.202 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.310 11.498 30.464 1.00 1.00 H new ATOM 627 N THR A 43 30.525 10.774 30.408 1.00 1.00 N ATOM 628 CA THR A 43 29.103 11.089 30.319 1.00 1.00 C ATOM 629 C THR A 43 28.279 9.812 30.193 1.00 1.00 C ATOM 630 O THR A 43 28.570 8.807 30.840 1.00 1.00 O ATOM 631 CB THR A 43 28.843 11.989 29.110 1.00 1.00 C ATOM 632 OG1 THR A 43 27.467 12.338 29.070 1.00 1.00 O ATOM 633 CG2 THR A 43 29.222 11.247 27.827 1.00 1.00 C ATOM 0 H THR A 43 30.840 10.049 29.764 1.00 1.00 H new ATOM 0 HA THR A 43 28.807 11.610 31.229 1.00 1.00 H new ATOM 0 HB THR A 43 29.445 12.894 29.193 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.299 12.916 28.297 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.036 11.890 26.967 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.278 10.981 27.859 1.00 1.00 H new ATOM 0 HG23 THR A 43 28.622 10.341 27.740 1.00 1.00 H new ATOM 641 N THR A 44 27.248 9.861 29.356 1.00 1.00 N ATOM 642 CA THR A 44 26.386 8.702 29.152 1.00 1.00 C ATOM 643 C THR A 44 25.555 8.427 30.401 1.00 1.00 C ATOM 644 O THR A 44 24.328 8.522 30.374 1.00 1.00 O ATOM 645 CB THR A 44 27.235 7.473 28.819 1.00 1.00 C ATOM 646 OG1 THR A 44 28.380 7.875 28.081 1.00 1.00 O ATOM 647 CG2 THR A 44 26.408 6.489 27.989 1.00 1.00 C ATOM 0 H THR A 44 26.990 10.684 28.812 1.00 1.00 H new ATOM 0 HA THR A 44 25.713 8.914 28.321 1.00 1.00 H new ATOM 0 HB THR A 44 27.551 6.988 29.743 1.00 1.00 H new ATOM 0 HG1 THR A 44 28.466 7.317 27.280 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.013 5.614 27.752 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.531 6.180 28.558 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.090 6.971 27.065 1.00 1.00 H new ATOM 655 N GLY A 45 26.231 8.085 31.493 1.00 1.00 N ATOM 656 CA GLY A 45 25.543 7.798 32.746 1.00 1.00 C ATOM 657 C GLY A 45 26.415 8.164 33.941 1.00 1.00 C ATOM 658 O GLY A 45 26.702 7.324 34.793 1.00 1.00 O ATOM 0 H GLY A 45 27.247 8.000 31.536 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.608 8.357 32.788 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.285 6.740 32.790 1.00 1.00 H new ATOM 662 N ASN A 46 26.835 9.423 33.997 1.00 1.00 N ATOM 663 CA ASN A 46 27.675 9.890 35.092 1.00 1.00 C ATOM 664 C ASN A 46 26.819 10.397 36.247 1.00 1.00 C ATOM 665 O ASN A 46 25.921 9.701 36.720 1.00 1.00 O ATOM 666 CB ASN A 46 28.594 11.012 34.604 1.00 1.00 C ATOM 667 CG ASN A 46 27.761 12.204 34.145 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.602 13.174 34.888 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.218 12.192 32.959 1.00 1.00 N ATOM 0 H ASN A 46 26.609 10.134 33.301 1.00 1.00 H new ATOM 0 HA ASN A 46 28.279 9.053 35.443 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.268 11.316 35.405 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.215 10.654 33.783 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.661 12.987 32.645 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.351 11.388 32.345 1.00 1.00 H new ATOM 676 N GLY A 47 27.103 11.616 36.697 1.00 1.00 N ATOM 677 CA GLY A 47 26.357 12.213 37.798 1.00 1.00 C ATOM 678 C GLY A 47 24.870 11.894 37.687 1.00 1.00 C ATOM 679 O GLY A 47 24.163 11.827 38.693 1.00 1.00 O ATOM 0 H GLY A 47 27.842 12.207 36.317 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.743 11.841 38.747 1.00 1.00 H new ATOM 0 HA3 GLY A 47 26.502 13.293 37.797 1.00 1.00 H new ATOM 683 N LEU A 48 24.403 11.696 36.459 1.00 1.00 N ATOM 684 CA LEU A 48 22.996 11.383 36.231 1.00 1.00 C ATOM 685 C LEU A 48 22.611 10.109 36.975 1.00 1.00 C ATOM 686 O LEU A 48 21.692 10.111 37.794 1.00 1.00 O ATOM 687 CB LEU A 48 22.738 11.200 34.730 1.00 1.00 C ATOM 688 CG LEU A 48 21.530 12.037 34.289 1.00 1.00 C ATOM 689 CD1 LEU A 48 20.311 11.680 35.144 1.00 1.00 C ATOM 690 CD2 LEU A 48 21.848 13.527 34.448 1.00 1.00 C ATOM 0 H LEU A 48 24.971 11.746 35.613 1.00 1.00 H new ATOM 0 HA LEU A 48 22.390 12.209 36.604 1.00 1.00 H new ATOM 0 HB2 LEU A 48 23.621 11.497 34.164 1.00 1.00 H new ATOM 0 HB3 LEU A 48 22.559 10.147 34.511 1.00 1.00 H new ATOM 0 HG LEU A 48 21.311 11.823 33.243 1.00 1.00 H new ATOM 0 HD11 LEU A 48 19.456 12.277 34.826 1.00 1.00 H new ATOM 0 HD12 LEU A 48 20.079 10.622 35.023 1.00 1.00 H new ATOM 0 HD13 LEU A 48 20.529 11.886 36.192 1.00 1.00 H new ATOM 0 HD21 LEU A 48 20.988 14.118 34.134 1.00 1.00 H new ATOM 0 HD22 LEU A 48 22.074 13.741 35.493 1.00 1.00 H new ATOM 0 HD23 LEU A 48 22.709 13.783 33.831 1.00 1.00 H new ATOM 702 N VAL A 49 23.320 9.024 36.686 1.00 1.00 N ATOM 703 CA VAL A 49 23.045 7.749 37.336 1.00 1.00 C ATOM 704 C VAL A 49 23.108 7.900 38.852 1.00 1.00 C ATOM 705 O VAL A 49 22.567 7.077 39.591 1.00 1.00 O ATOM 706 CB VAL A 49 24.067 6.703 36.888 1.00 1.00 C ATOM 707 CG1 VAL A 49 23.749 5.362 37.551 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.000 6.546 35.367 1.00 1.00 C ATOM 0 H VAL A 49 24.084 9.001 36.011 1.00 1.00 H new ATOM 0 HA VAL A 49 22.044 7.426 37.051 1.00 1.00 H new ATOM 0 HB VAL A 49 25.067 7.024 37.179 1.00 1.00 H new ATOM 0 HG11 VAL A 49 24.477 4.617 37.232 1.00 1.00 H new ATOM 0 HG12 VAL A 49 23.794 5.472 38.635 1.00 1.00 H new ATOM 0 HG13 VAL A 49 22.749 5.040 37.260 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.728 5.801 35.046 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.999 6.224 35.078 1.00 1.00 H new ATOM 0 HG23 VAL A 49 24.225 7.501 34.892 1.00 1.00 H new ATOM 718 N LEU A 50 23.779 8.953 39.308 1.00 1.00 N ATOM 719 CA LEU A 50 23.913 9.198 40.738 1.00 1.00 C ATOM 720 C LEU A 50 22.777 10.085 41.240 1.00 1.00 C ATOM 721 O LEU A 50 22.512 10.150 42.440 1.00 1.00 O ATOM 722 CB LEU A 50 25.257 9.874 41.027 1.00 1.00 C ATOM 723 CG LEU A 50 26.389 8.836 40.982 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.274 7.866 42.166 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.307 8.047 39.674 1.00 1.00 C ATOM 0 H LEU A 50 24.235 9.645 38.713 1.00 1.00 H new ATOM 0 HA LEU A 50 23.867 8.241 41.258 1.00 1.00 H new ATOM 0 HB2 LEU A 50 25.443 10.659 40.294 1.00 1.00 H new ATOM 0 HB3 LEU A 50 25.230 10.352 42.006 1.00 1.00 H new ATOM 0 HG LEU A 50 27.344 9.357 41.042 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.083 7.137 42.119 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.341 8.423 43.101 1.00 1.00 H new ATOM 0 HD13 LEU A 50 25.316 7.348 42.120 1.00 1.00 H new ATOM 0 HD21 LEU A 50 27.110 7.311 39.642 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.345 7.538 39.616 1.00 1.00 H new ATOM 0 HD23 LEU A 50 26.407 8.730 38.830 1.00 1.00 H new ATOM 737 N TRP A 51 22.109 10.765 40.315 1.00 1.00 N ATOM 738 CA TRP A 51 21.003 11.643 40.678 1.00 1.00 C ATOM 739 C TRP A 51 19.804 10.826 41.149 1.00 1.00 C ATOM 740 O TRP A 51 19.036 11.268 42.003 1.00 1.00 O ATOM 741 CB TRP A 51 20.597 12.499 39.476 1.00 1.00 C ATOM 742 CG TRP A 51 19.175 12.211 39.117 1.00 1.00 C ATOM 743 CD1 TRP A 51 18.743 11.095 38.486 1.00 1.00 C ATOM 744 CD2 TRP A 51 17.993 13.030 39.355 1.00 1.00 C ATOM 745 NE1 TRP A 51 17.373 11.175 38.321 1.00 1.00 N ATOM 746 CE2 TRP A 51 16.864 12.350 38.841 1.00 1.00 C ATOM 747 CE3 TRP A 51 17.793 14.282 39.962 1.00 1.00 C ATOM 748 CZ2 TRP A 51 15.582 12.894 38.926 1.00 1.00 C ATOM 749 CZ3 TRP A 51 16.504 14.833 40.049 1.00 1.00 C ATOM 750 CH2 TRP A 51 15.400 14.140 39.531 1.00 1.00 C ATOM 0 H TRP A 51 22.312 10.726 39.316 1.00 1.00 H new ATOM 0 HA TRP A 51 21.331 12.291 41.491 1.00 1.00 H new ATOM 0 HB2 TRP A 51 20.717 13.556 39.712 1.00 1.00 H new ATOM 0 HB3 TRP A 51 21.248 12.286 38.628 1.00 1.00 H new ATOM 0 HD1 TRP A 51 19.367 10.275 38.164 1.00 1.00 H new ATOM 0 HE1 TRP A 51 16.807 10.455 37.871 1.00 1.00 H new ATOM 0 HE3 TRP A 51 18.636 14.824 40.364 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.736 12.355 38.527 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 16.362 15.796 40.517 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.411 14.569 39.600 1.00 1.00 H new ATOM 761 N THR A 52 19.651 9.632 40.586 1.00 1.00 N ATOM 762 CA THR A 52 18.542 8.760 40.956 1.00 1.00 C ATOM 763 C THR A 52 18.787 8.134 42.325 1.00 1.00 C ATOM 764 O THR A 52 17.844 7.808 43.046 1.00 1.00 O ATOM 765 CB THR A 52 18.373 7.657 39.909 1.00 1.00 C ATOM 766 OG1 THR A 52 17.040 7.165 39.953 1.00 1.00 O ATOM 767 CG2 THR A 52 19.349 6.516 40.202 1.00 1.00 C ATOM 0 H THR A 52 20.276 9.248 39.877 1.00 1.00 H new ATOM 0 HA THR A 52 17.632 9.359 41.001 1.00 1.00 H new ATOM 0 HB THR A 52 18.580 8.062 38.919 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.929 6.459 39.282 1.00 1.00 H new ATOM 0 HG21 THR A 52 19.227 5.732 39.455 1.00 1.00 H new ATOM 0 HG22 THR A 52 20.371 6.894 40.168 1.00 1.00 H new ATOM 0 HG23 THR A 52 19.146 6.109 41.192 1.00 1.00 H new ATOM 775 N VAL A 53 20.058 7.970 42.676 1.00 1.00 N ATOM 776 CA VAL A 53 20.415 7.381 43.962 1.00 1.00 C ATOM 777 C VAL A 53 20.140 8.365 45.095 1.00 1.00 C ATOM 778 O VAL A 53 19.437 8.042 46.052 1.00 1.00 O ATOM 779 CB VAL A 53 21.896 6.996 43.966 1.00 1.00 C ATOM 780 CG1 VAL A 53 22.238 6.294 45.281 1.00 1.00 C ATOM 781 CG2 VAL A 53 22.179 6.051 42.796 1.00 1.00 C ATOM 0 H VAL A 53 20.853 8.234 42.094 1.00 1.00 H new ATOM 0 HA VAL A 53 19.807 6.489 44.115 1.00 1.00 H new ATOM 0 HB VAL A 53 22.505 7.894 43.865 1.00 1.00 H new ATOM 0 HG11 VAL A 53 23.293 6.020 45.283 1.00 1.00 H new ATOM 0 HG12 VAL A 53 22.036 6.966 46.115 1.00 1.00 H new ATOM 0 HG13 VAL A 53 21.629 5.395 45.383 1.00 1.00 H new ATOM 0 HG21 VAL A 53 23.234 5.776 42.797 1.00 1.00 H new ATOM 0 HG22 VAL A 53 21.570 5.153 42.898 1.00 1.00 H new ATOM 0 HG23 VAL A 53 21.936 6.550 41.858 1.00 1.00 H new ATOM 791 N PHE A 54 20.700 9.564 44.980 1.00 1.00 N ATOM 792 CA PHE A 54 20.507 10.587 46.000 1.00 1.00 C ATOM 793 C PHE A 54 19.033 10.961 46.112 1.00 1.00 C ATOM 794 O PHE A 54 18.634 11.682 47.026 1.00 1.00 O ATOM 795 CB PHE A 54 21.329 11.831 45.654 1.00 1.00 C ATOM 796 CG PHE A 54 20.436 13.049 45.689 1.00 1.00 C ATOM 797 CD1 PHE A 54 20.249 13.746 46.888 1.00 1.00 C ATOM 798 CD2 PHE A 54 19.797 13.481 44.520 1.00 1.00 C ATOM 799 CE1 PHE A 54 19.423 14.875 46.920 1.00 1.00 C ATOM 800 CE2 PHE A 54 18.971 14.611 44.552 1.00 1.00 C ATOM 801 CZ PHE A 54 18.784 15.308 45.751 1.00 1.00 C ATOM 0 H PHE A 54 21.287 9.850 44.196 1.00 1.00 H new ATOM 0 HA PHE A 54 20.841 10.187 46.957 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.149 11.947 46.363 1.00 1.00 H new ATOM 0 HB3 PHE A 54 21.775 11.722 44.666 1.00 1.00 H new ATOM 0 HD1 PHE A 54 20.742 13.412 47.789 1.00 1.00 H new ATOM 0 HD2 PHE A 54 19.941 12.943 43.595 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.278 15.412 47.846 1.00 1.00 H new ATOM 0 HE2 PHE A 54 18.478 14.945 43.651 1.00 1.00 H new ATOM 0 HZ PHE A 54 18.147 16.180 45.775 1.00 1.00 H new ATOM 811 N ARG A 55 18.229 10.467 45.176 1.00 1.00 N ATOM 812 CA ARG A 55 16.801 10.756 45.179 1.00 1.00 C ATOM 813 C ARG A 55 16.062 9.801 46.112 1.00 1.00 C ATOM 814 O ARG A 55 15.484 10.222 47.115 1.00 1.00 O ATOM 815 CB ARG A 55 16.237 10.626 43.763 1.00 1.00 C ATOM 816 CG ARG A 55 15.511 11.916 43.380 1.00 1.00 C ATOM 817 CD ARG A 55 16.524 13.056 43.254 1.00 1.00 C ATOM 818 NE ARG A 55 16.144 14.166 44.121 1.00 1.00 N ATOM 819 CZ ARG A 55 15.264 15.079 43.723 1.00 1.00 C ATOM 820 NH1 ARG A 55 14.722 14.991 42.539 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.940 16.062 44.518 1.00 1.00 N ATOM 0 H ARG A 55 18.540 9.869 44.411 1.00 1.00 H new ATOM 0 HA ARG A 55 16.658 11.777 45.534 1.00 1.00 H new ATOM 0 HB2 ARG A 55 17.043 10.427 43.057 1.00 1.00 H new ATOM 0 HB3 ARG A 55 15.551 9.781 43.710 1.00 1.00 H new ATOM 0 HG2 ARG A 55 14.981 11.781 42.437 1.00 1.00 H new ATOM 0 HG3 ARG A 55 14.763 12.162 44.134 1.00 1.00 H new ATOM 0 HD2 ARG A 55 17.519 12.700 43.522 1.00 1.00 H new ATOM 0 HD3 ARG A 55 16.575 13.394 42.219 1.00 1.00 H new ATOM 0 HE ARG A 55 16.561 14.243 45.049 1.00 1.00 H new ATOM 0 HH11 ARG A 55 14.974 14.221 41.919 1.00 1.00 H new ATOM 0 HH12 ARG A 55 14.047 15.692 42.234 1.00 1.00 H new ATOM 0 HH21 ARG A 55 15.362 16.129 45.444 1.00 1.00 H new ATOM 0 HH22 ARG A 55 14.265 16.763 44.213 1.00 1.00 H new ATOM 835 N LYS A 56 16.086 8.515 45.776 1.00 1.00 N ATOM 836 CA LYS A 56 15.414 7.512 46.593 1.00 1.00 C ATOM 837 C LYS A 56 15.943 7.544 48.024 1.00 1.00 C ATOM 838 O LYS A 56 15.189 7.356 48.978 1.00 1.00 O ATOM 839 CB LYS A 56 15.632 6.119 45.995 1.00 1.00 C ATOM 840 CG LYS A 56 17.123 5.901 45.737 1.00 1.00 C ATOM 841 CD LYS A 56 17.332 4.540 45.069 1.00 1.00 C ATOM 842 CE LYS A 56 18.620 3.904 45.596 1.00 1.00 C ATOM 843 NZ LYS A 56 18.360 3.285 46.927 1.00 1.00 N ATOM 0 H LYS A 56 16.559 8.146 44.951 1.00 1.00 H new ATOM 0 HA LYS A 56 14.348 7.737 46.608 1.00 1.00 H new ATOM 0 HB2 LYS A 56 15.255 5.356 46.676 1.00 1.00 H new ATOM 0 HB3 LYS A 56 15.073 6.020 45.065 1.00 1.00 H new ATOM 0 HG2 LYS A 56 17.512 6.695 45.099 1.00 1.00 H new ATOM 0 HG3 LYS A 56 17.676 5.946 46.675 1.00 1.00 H new ATOM 0 HD2 LYS A 56 16.482 3.889 45.273 1.00 1.00 H new ATOM 0 HD3 LYS A 56 17.389 4.659 43.987 1.00 1.00 H new ATOM 0 HE2 LYS A 56 18.979 3.149 44.896 1.00 1.00 H new ATOM 0 HE3 LYS A 56 19.403 4.658 45.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 19.265 3.050 47.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 17.835 3.955 47.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 17.799 2.418 46.803 1.00 1.00 H new ATOM 857 N LYS A 57 17.243 7.784 48.164 1.00 1.00 N ATOM 858 CA LYS A 57 17.861 7.841 49.482 1.00 1.00 C ATOM 859 C LYS A 57 17.788 9.259 50.045 1.00 1.00 C ATOM 860 O LYS A 57 18.745 9.754 50.639 1.00 1.00 O ATOM 861 CB LYS A 57 19.322 7.394 49.394 1.00 1.00 C ATOM 862 CG LYS A 57 19.383 5.867 49.302 1.00 1.00 C ATOM 863 CD LYS A 57 20.604 5.448 48.479 1.00 1.00 C ATOM 864 CE LYS A 57 21.877 5.952 49.160 1.00 1.00 C ATOM 865 NZ LYS A 57 21.901 5.487 50.576 1.00 1.00 N ATOM 0 H LYS A 57 17.884 7.941 47.386 1.00 1.00 H new ATOM 0 HA LYS A 57 17.319 7.170 50.149 1.00 1.00 H new ATOM 0 HB2 LYS A 57 19.798 7.841 48.521 1.00 1.00 H new ATOM 0 HB3 LYS A 57 19.872 7.739 50.269 1.00 1.00 H new ATOM 0 HG2 LYS A 57 19.440 5.435 50.301 1.00 1.00 H new ATOM 0 HG3 LYS A 57 18.473 5.484 48.841 1.00 1.00 H new ATOM 0 HD2 LYS A 57 20.636 4.363 48.383 1.00 1.00 H new ATOM 0 HD3 LYS A 57 20.533 5.855 47.470 1.00 1.00 H new ATOM 0 HE2 LYS A 57 22.756 5.584 48.630 1.00 1.00 H new ATOM 0 HE3 LYS A 57 21.915 7.041 49.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 22.873 5.540 50.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 21.281 6.093 51.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 21.566 4.504 50.624 1.00 1.00 H new ATOM 879 N GLY A 58 16.643 9.906 49.852 1.00 1.00 N ATOM 880 CA GLY A 58 16.454 11.266 50.342 1.00 1.00 C ATOM 881 C GLY A 58 16.198 11.273 51.845 1.00 1.00 C ATOM 882 O GLY A 58 15.053 11.345 52.288 1.00 1.00 O ATOM 0 H GLY A 58 15.838 9.514 49.364 1.00 1.00 H new ATOM 0 HA2 GLY A 58 17.337 11.864 50.117 1.00 1.00 H new ATOM 0 HA3 GLY A 58 15.615 11.730 49.824 1.00 1.00 H new ATOM 886 N HIS A 59 17.273 11.196 52.623 1.00 1.00 N ATOM 887 CA HIS A 59 17.151 11.194 54.077 1.00 1.00 C ATOM 888 C HIS A 59 16.705 12.563 54.579 1.00 1.00 C ATOM 889 O HIS A 59 15.864 12.664 55.473 1.00 1.00 O ATOM 890 CB HIS A 59 18.494 10.830 54.712 1.00 1.00 C ATOM 891 CG HIS A 59 19.193 9.808 53.858 1.00 1.00 C ATOM 892 ND1 HIS A 59 18.866 8.461 53.899 1.00 1.00 N ATOM 893 CD2 HIS A 59 20.201 9.920 52.932 1.00 1.00 C ATOM 894 CE1 HIS A 59 19.665 7.823 53.024 1.00 1.00 C ATOM 895 NE2 HIS A 59 20.498 8.666 52.407 1.00 1.00 N ATOM 0 H HIS A 59 18.230 11.135 52.276 1.00 1.00 H new ATOM 0 HA HIS A 59 16.402 10.454 54.359 1.00 1.00 H new ATOM 0 HB2 HIS A 59 19.114 11.721 54.812 1.00 1.00 H new ATOM 0 HB3 HIS A 59 18.338 10.435 55.716 1.00 1.00 H new ATOM 0 HD2 HIS A 59 20.689 10.842 52.653 1.00 1.00 H new ATOM 0 HE1 HIS A 59 19.636 6.759 52.843 1.00 1.00 H new ATOM 0 HE2 HIS A 59 21.200 8.439 51.703 1.00 1.00 H new ATOM 903 N HIS A 60 17.273 13.616 53.998 1.00 1.00 N ATOM 904 CA HIS A 60 16.925 14.975 54.396 1.00 1.00 C ATOM 905 C HIS A 60 15.420 15.198 54.279 1.00 1.00 C ATOM 906 O HIS A 60 14.822 15.899 55.096 1.00 1.00 O ATOM 907 CB HIS A 60 17.663 15.982 53.512 1.00 1.00 C ATOM 908 CG HIS A 60 19.136 15.682 53.531 1.00 1.00 C ATOM 909 ND1 HIS A 60 19.929 15.800 52.401 1.00 1.00 N ATOM 910 CD2 HIS A 60 19.975 15.269 54.537 1.00 1.00 C ATOM 911 CE1 HIS A 60 21.185 15.463 52.750 1.00 1.00 C ATOM 912 NE2 HIS A 60 21.268 15.131 54.041 1.00 1.00 N ATOM 0 H HIS A 60 17.970 13.555 53.256 1.00 1.00 H new ATOM 0 HA HIS A 60 17.222 15.118 55.435 1.00 1.00 H new ATOM 0 HB2 HIS A 60 17.284 15.932 52.491 1.00 1.00 H new ATOM 0 HB3 HIS A 60 17.483 16.996 53.869 1.00 1.00 H new ATOM 0 HD2 HIS A 60 19.677 15.080 55.558 1.00 1.00 H new ATOM 0 HE1 HIS A 60 22.023 15.461 52.069 1.00 1.00 H new ATOM 0 HE2 HIS A 60 22.100 14.839 54.553 1.00 1.00 H new ATOM 920 N HIS A 61 14.815 14.599 53.260 1.00 1.00 N ATOM 921 CA HIS A 61 13.379 14.740 53.047 1.00 1.00 C ATOM 922 C HIS A 61 12.601 14.046 54.162 1.00 1.00 C ATOM 923 O HIS A 61 12.017 14.703 55.024 1.00 1.00 O ATOM 924 CB HIS A 61 12.989 14.133 51.698 1.00 1.00 C ATOM 925 CG HIS A 61 12.459 15.214 50.796 1.00 1.00 C ATOM 926 ND1 HIS A 61 11.173 15.181 50.280 1.00 1.00 N ATOM 927 CD2 HIS A 61 13.029 16.365 50.311 1.00 1.00 C ATOM 928 CE1 HIS A 61 11.013 16.281 49.521 1.00 1.00 C ATOM 929 NE2 HIS A 61 12.114 17.037 49.505 1.00 1.00 N ATOM 0 H HIS A 61 15.292 14.015 52.573 1.00 1.00 H new ATOM 0 HA HIS A 61 13.133 15.802 53.053 1.00 1.00 H new ATOM 0 HB2 HIS A 61 13.854 13.653 51.239 1.00 1.00 H new ATOM 0 HB3 HIS A 61 12.234 13.360 51.840 1.00 1.00 H new ATOM 0 HD2 HIS A 61 14.034 16.698 50.523 1.00 1.00 H new ATOM 0 HE1 HIS A 61 10.105 16.523 48.989 1.00 1.00 H new ATOM 0 HE2 HIS A 61 12.254 17.917 49.009 1.00 1.00 H new ATOM 937 N HIS A 62 12.598 12.718 54.137 1.00 1.00 N ATOM 938 CA HIS A 62 11.888 11.947 55.151 1.00 1.00 C ATOM 939 C HIS A 62 12.361 12.335 56.549 1.00 1.00 C ATOM 940 O HIS A 62 13.511 12.089 56.916 1.00 1.00 O ATOM 941 CB HIS A 62 12.121 10.451 54.928 1.00 1.00 C ATOM 942 CG HIS A 62 10.852 9.698 55.214 1.00 1.00 C ATOM 943 ND1 HIS A 62 10.416 9.447 56.506 1.00 1.00 N ATOM 944 CD2 HIS A 62 9.913 9.134 54.386 1.00 1.00 C ATOM 945 CE1 HIS A 62 9.262 8.761 56.419 1.00 1.00 C ATOM 946 NE2 HIS A 62 8.910 8.542 55.149 1.00 1.00 N ATOM 0 H HIS A 62 13.075 12.156 53.432 1.00 1.00 H new ATOM 0 HA HIS A 62 10.823 12.165 55.067 1.00 1.00 H new ATOM 0 HB2 HIS A 62 12.440 10.271 53.901 1.00 1.00 H new ATOM 0 HB3 HIS A 62 12.921 10.096 55.577 1.00 1.00 H new ATOM 0 HD2 HIS A 62 9.947 9.148 53.307 1.00 1.00 H new ATOM 0 HE1 HIS A 62 8.690 8.428 57.272 1.00 1.00 H new ATOM 0 HE2 HIS A 62 8.084 8.048 54.811 1.00 1.00 H new ATOM 954 N HIS A 63 11.469 12.943 57.323 1.00 1.00 N ATOM 955 CA HIS A 63 11.806 13.360 58.678 1.00 1.00 C ATOM 956 C HIS A 63 12.353 12.185 59.481 1.00 1.00 C ATOM 957 O HIS A 63 12.114 11.025 59.143 1.00 1.00 O ATOM 958 CB HIS A 63 10.567 13.925 59.375 1.00 1.00 C ATOM 959 CG HIS A 63 10.586 15.426 59.298 1.00 1.00 C ATOM 960 ND1 HIS A 63 9.595 16.146 58.650 1.00 1.00 N ATOM 961 CD2 HIS A 63 11.471 16.358 59.780 1.00 1.00 C ATOM 962 CE1 HIS A 63 9.903 17.451 58.760 1.00 1.00 C ATOM 963 NE2 HIS A 63 11.038 17.636 59.440 1.00 1.00 N ATOM 0 H HIS A 63 10.513 13.157 57.038 1.00 1.00 H new ATOM 0 HA HIS A 63 12.573 14.132 58.619 1.00 1.00 H new ATOM 0 HB2 HIS A 63 9.664 13.538 58.903 1.00 1.00 H new ATOM 0 HB3 HIS A 63 10.545 13.604 60.417 1.00 1.00 H new ATOM 0 HD2 HIS A 63 12.368 16.133 60.339 1.00 1.00 H new ATOM 0 HE1 HIS A 63 9.306 18.251 58.349 1.00 1.00 H new ATOM 0 HE2 HIS A 63 11.490 18.523 59.662 1.00 1.00 H new ATOM 971 N HIS A 64 13.088 12.491 60.545 1.00 1.00 N ATOM 972 CA HIS A 64 13.664 11.451 61.389 1.00 1.00 C ATOM 973 C HIS A 64 12.571 10.543 61.943 1.00 1.00 C ATOM 974 O HIS A 64 11.485 10.548 61.385 1.00 1.00 O ATOM 975 CB HIS A 64 14.438 12.085 62.546 1.00 1.00 C ATOM 976 CG HIS A 64 13.474 12.750 63.489 1.00 1.00 C ATOM 977 ND1 HIS A 64 13.579 12.620 64.866 1.00 1.00 N ATOM 978 CD2 HIS A 64 12.381 13.553 63.270 1.00 1.00 C ATOM 979 CE1 HIS A 64 12.576 13.328 65.417 1.00 1.00 C ATOM 980 NE2 HIS A 64 11.816 13.916 64.489 1.00 1.00 N ATOM 981 OXT HIS A 64 12.834 9.857 62.917 1.00 1.00 O ATOM 0 H HIS A 64 13.298 13.444 60.842 1.00 1.00 H new ATOM 0 HA HIS A 64 14.344 10.853 60.782 1.00 1.00 H new ATOM 0 HB2 HIS A 64 15.013 11.324 63.074 1.00 1.00 H new ATOM 0 HB3 HIS A 64 15.151 12.815 62.164 1.00 1.00 H new ATOM 0 HD2 HIS A 64 12.016 13.856 62.300 1.00 1.00 H new ATOM 0 HE1 HIS A 64 12.406 13.411 66.480 1.00 1.00 H new ATOM 0 HE2 HIS A 64 10.997 14.505 64.641 1.00 1.00 H new TER 989 HIS A 64