USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 462 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 32 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 65 HIS :FLIP no HD1:sc= -0.0681 F(o=-1.3,f=-0.068) USER MOD Set 2.1: A 20 TYR OH : rot -115:sc= -0.423! USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -3.98! C(o=-7.1!,f=-4.4!) USER MOD Set 3.1: A 6 SER OG : rot 140:sc= 0 USER MOD Set 3.2: A 48 MET CE :methyl 166:sc= -6.17! (180deg=-7.55!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.297 (180deg=-1.05) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.0564 USER MOD Single : A 10 THR OG1 : rot 86:sc= -0.729! USER MOD Single : A 11 ASN :FLIP amide:sc= -2.61 F(o=-4.2!,f=-2.6) USER MOD Single : A 25 GLN : amide:sc= -6.54! C(o=-6.5!,f=-13!) USER MOD Single : A 26 GLN : amide:sc= -7.07! C(o=-7.1!,f=-8.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -4.74! C(o=-4.7!,f=-14!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0284 (180deg=-0.413) USER MOD Single : A 54 GLN : amide:sc= -0.043 K(o=-0.043,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.244 -0.885 -1.085 1.00 0.00 N ATOM 2 CA MET A 1 2.737 -1.079 -2.477 1.00 0.00 C ATOM 3 C MET A 1 3.099 -2.545 -2.687 1.00 0.00 C ATOM 4 O MET A 1 4.226 -2.870 -3.063 1.00 0.00 O ATOM 5 CB MET A 1 3.969 -0.200 -2.706 1.00 0.00 C ATOM 6 CG MET A 1 3.738 1.175 -2.075 1.00 0.00 C ATOM 7 SD MET A 1 2.300 1.959 -2.846 1.00 0.00 S ATOM 8 CE MET A 1 2.208 3.395 -1.747 1.00 0.00 C ATOM 0 H1 MET A 1 1.706 0.003 -1.028 1.00 0.00 H new ATOM 0 H2 MET A 1 1.628 -1.681 -0.821 1.00 0.00 H new ATOM 0 H3 MET A 1 3.053 -0.842 -0.433 1.00 0.00 H new ATOM 0 HA MET A 1 1.958 -0.798 -3.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.850 -0.669 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.161 -0.095 -3.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.578 1.072 -1.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.621 1.800 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.373 4.029 -2.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.059 3.059 -0.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.136 3.963 -1.812 1.00 0.00 H new ATOM 16 N THR A 2 2.134 -3.427 -2.444 1.00 0.00 N ATOM 17 CA THR A 2 2.359 -4.859 -2.611 1.00 0.00 C ATOM 18 C THR A 2 2.470 -5.213 -4.092 1.00 0.00 C ATOM 19 O THR A 2 1.655 -4.780 -4.907 1.00 0.00 O ATOM 20 CB THR A 2 1.210 -5.648 -1.980 1.00 0.00 C ATOM 21 OG1 THR A 2 1.135 -5.341 -0.594 1.00 0.00 O ATOM 22 CG2 THR A 2 1.456 -7.145 -2.161 1.00 0.00 C ATOM 0 H THR A 2 1.195 -3.178 -2.133 1.00 0.00 H new ATOM 0 HA THR A 2 3.293 -5.121 -2.114 1.00 0.00 H new ATOM 0 HB THR A 2 0.272 -5.377 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.399 -5.844 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.637 -7.705 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.514 -7.378 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.393 -7.421 -1.677 1.00 0.00 H new ATOM 30 N THR A 3 3.482 -6.002 -4.431 1.00 0.00 N ATOM 31 CA THR A 3 3.691 -6.410 -5.816 1.00 0.00 C ATOM 32 C THR A 3 3.538 -7.915 -5.960 1.00 0.00 C ATOM 33 O THR A 3 4.143 -8.687 -5.216 1.00 0.00 O ATOM 34 CB THR A 3 5.089 -5.991 -6.277 1.00 0.00 C ATOM 35 OG1 THR A 3 5.208 -4.577 -6.199 1.00 0.00 O ATOM 36 CG2 THR A 3 5.316 -6.451 -7.715 1.00 0.00 C ATOM 0 H THR A 3 4.167 -6.371 -3.771 1.00 0.00 H new ATOM 0 HA THR A 3 2.940 -5.920 -6.436 1.00 0.00 H new ATOM 0 HB THR A 3 5.838 -6.453 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.103 -4.307 -6.492 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.312 -6.151 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.228 -7.536 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.570 -5.995 -8.365 1.00 0.00 H new ATOM 44 N PHE A 4 2.717 -8.328 -6.921 1.00 0.00 N ATOM 45 CA PHE A 4 2.483 -9.743 -7.154 1.00 0.00 C ATOM 46 C PHE A 4 3.104 -10.177 -8.478 1.00 0.00 C ATOM 47 O PHE A 4 3.042 -9.454 -9.472 1.00 0.00 O ATOM 48 CB PHE A 4 0.980 -10.016 -7.176 1.00 0.00 C ATOM 49 CG PHE A 4 0.389 -9.702 -5.822 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.412 -10.667 -4.807 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.184 -8.446 -5.581 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.136 -10.376 -3.553 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.733 -8.156 -4.326 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.708 -9.121 -3.312 1.00 0.00 C ATOM 0 H PHE A 4 2.207 -7.704 -7.546 1.00 0.00 H new ATOM 0 HA PHE A 4 2.947 -10.313 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.501 -9.408 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.793 -11.059 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.853 -11.635 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.202 -7.702 -6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.118 -11.120 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.175 -7.188 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.130 -8.897 -2.343 1.00 0.00 H new ATOM 64 N THR A 5 3.705 -11.363 -8.480 1.00 0.00 N ATOM 65 CA THR A 5 4.339 -11.890 -9.684 1.00 0.00 C ATOM 66 C THR A 5 3.773 -13.262 -10.029 1.00 0.00 C ATOM 67 O THR A 5 3.641 -14.124 -9.160 1.00 0.00 O ATOM 68 CB THR A 5 5.851 -11.995 -9.473 1.00 0.00 C ATOM 69 OG1 THR A 5 6.378 -10.706 -9.190 1.00 0.00 O ATOM 70 CG2 THR A 5 6.507 -12.551 -10.737 1.00 0.00 C ATOM 0 H THR A 5 3.766 -11.975 -7.666 1.00 0.00 H new ATOM 0 HA THR A 5 4.135 -11.208 -10.510 1.00 0.00 H new ATOM 0 HB THR A 5 6.056 -12.663 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.346 -10.771 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.584 -12.625 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.102 -13.540 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.304 -11.885 -11.576 1.00 0.00 H new ATOM 78 N SER A 6 3.441 -13.463 -11.301 1.00 0.00 N ATOM 79 CA SER A 6 2.890 -14.740 -11.740 1.00 0.00 C ATOM 80 C SER A 6 3.414 -15.099 -13.124 1.00 0.00 C ATOM 81 O SER A 6 3.878 -14.234 -13.868 1.00 0.00 O ATOM 82 CB SER A 6 1.364 -14.669 -11.773 1.00 0.00 C ATOM 83 OG SER A 6 0.958 -13.728 -12.758 1.00 0.00 O ATOM 0 H SER A 6 3.543 -12.766 -12.039 1.00 0.00 H new ATOM 0 HA SER A 6 3.201 -15.510 -11.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.948 -15.651 -11.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.981 -14.377 -10.795 1.00 0.00 H new ATOM 0 HG SER A 6 0.176 -14.073 -13.238 1.00 0.00 H new ATOM 89 N ILE A 7 3.348 -16.383 -13.458 1.00 0.00 N ATOM 90 CA ILE A 7 3.828 -16.858 -14.747 1.00 0.00 C ATOM 91 C ILE A 7 3.128 -18.163 -15.107 1.00 0.00 C ATOM 92 O ILE A 7 2.566 -18.827 -14.234 1.00 0.00 O ATOM 93 CB ILE A 7 5.333 -17.088 -14.670 1.00 0.00 C ATOM 94 CG1 ILE A 7 5.917 -17.153 -16.080 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.611 -18.406 -13.946 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.434 -16.998 -15.999 1.00 0.00 C ATOM 0 H ILE A 7 2.967 -17.111 -12.854 1.00 0.00 H new ATOM 0 HA ILE A 7 3.611 -16.113 -15.513 1.00 0.00 H new ATOM 0 HB ILE A 7 5.795 -16.265 -14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.660 -18.102 -16.550 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.491 -16.365 -16.700 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.687 -18.571 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.198 -18.361 -12.938 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.146 -19.226 -14.492 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.858 -17.043 -17.002 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.678 -16.038 -15.545 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.850 -17.802 -15.392 1.00 0.00 H new ATOM 108 N VAL A 8 3.159 -18.539 -16.381 1.00 0.00 N ATOM 109 CA VAL A 8 2.508 -19.778 -16.789 1.00 0.00 C ATOM 110 C VAL A 8 3.442 -20.964 -16.568 1.00 0.00 C ATOM 111 O VAL A 8 4.372 -21.197 -17.339 1.00 0.00 O ATOM 112 CB VAL A 8 2.117 -19.702 -18.264 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.470 -21.022 -18.688 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.119 -18.559 -18.467 1.00 0.00 C ATOM 0 H VAL A 8 3.615 -18.020 -17.131 1.00 0.00 H new ATOM 0 HA VAL A 8 1.611 -19.915 -16.185 1.00 0.00 H new ATOM 0 HB VAL A 8 3.007 -19.522 -18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.191 -20.969 -19.740 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.178 -21.838 -18.541 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.580 -21.201 -18.085 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.839 -18.503 -19.519 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.230 -18.741 -17.864 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.577 -17.618 -18.163 1.00 0.00 H new ATOM 124 N THR A 9 3.162 -21.715 -15.511 1.00 0.00 N ATOM 125 CA THR A 9 3.944 -22.896 -15.168 1.00 0.00 C ATOM 126 C THR A 9 3.076 -23.873 -14.394 1.00 0.00 C ATOM 127 O THR A 9 2.249 -23.450 -13.586 1.00 0.00 O ATOM 128 CB THR A 9 5.144 -22.508 -14.304 1.00 0.00 C ATOM 129 OG1 THR A 9 6.290 -22.350 -15.129 1.00 0.00 O ATOM 130 CG2 THR A 9 5.393 -23.605 -13.265 1.00 0.00 C ATOM 0 H THR A 9 2.391 -21.525 -14.871 1.00 0.00 H new ATOM 0 HA THR A 9 4.299 -23.358 -16.089 1.00 0.00 H new ATOM 0 HB THR A 9 4.942 -21.567 -13.792 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.022 -21.972 -15.992 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.248 -23.333 -12.646 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.510 -23.717 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.598 -24.547 -13.773 1.00 0.00 H new ATOM 138 N THR A 10 3.263 -25.170 -14.596 1.00 0.00 N ATOM 139 CA THR A 10 2.461 -26.113 -13.836 1.00 0.00 C ATOM 140 C THR A 10 3.342 -27.046 -13.013 1.00 0.00 C ATOM 141 O THR A 10 3.777 -28.095 -13.490 1.00 0.00 O ATOM 142 CB THR A 10 1.608 -26.946 -14.795 1.00 0.00 C ATOM 143 OG1 THR A 10 1.427 -28.249 -14.258 1.00 0.00 O ATOM 144 CG2 THR A 10 2.309 -27.046 -16.151 1.00 0.00 C ATOM 0 H THR A 10 3.932 -25.578 -15.249 1.00 0.00 H new ATOM 0 HA THR A 10 1.823 -25.548 -13.156 1.00 0.00 H new ATOM 0 HB THR A 10 0.637 -26.467 -14.924 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.658 -28.249 -13.650 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.700 -27.640 -16.833 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.447 -26.047 -16.564 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.281 -27.523 -16.024 1.00 0.00 H new ATOM 152 N ASN A 11 3.598 -26.649 -11.769 1.00 0.00 N ATOM 153 CA ASN A 11 4.427 -27.446 -10.873 1.00 0.00 C ATOM 154 C ASN A 11 3.791 -27.545 -9.501 1.00 0.00 C ATOM 155 O ASN A 11 4.361 -27.103 -8.504 1.00 0.00 O ATOM 156 CB ASN A 11 5.816 -26.822 -10.753 1.00 0.00 C ATOM 157 CG ASN A 11 6.479 -26.767 -12.125 1.00 0.00 C ATOM 158 OD1 ASN A 11 7.070 -25.672 -12.509 1.00 0.00 O flip ATOM 159 ND2 ASN A 11 6.449 -27.749 -12.868 1.00 0.00 N flip ATOM 0 H ASN A 11 3.244 -25.784 -11.361 1.00 0.00 H new ATOM 0 HA ASN A 11 4.516 -28.449 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.739 -25.818 -10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.429 -27.406 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.985 -28.605 -12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.888 -27.706 -13.788 1.00 0.00 H new ATOM 166 N PRO A 12 2.634 -28.128 -9.435 1.00 0.00 N ATOM 167 CA PRO A 12 1.907 -28.308 -8.151 1.00 0.00 C ATOM 168 C PRO A 12 2.769 -29.041 -7.128 1.00 0.00 C ATOM 169 O PRO A 12 3.166 -30.185 -7.342 1.00 0.00 O ATOM 170 CB PRO A 12 0.688 -29.151 -8.539 1.00 0.00 C ATOM 171 CG PRO A 12 0.499 -28.921 -10.003 1.00 0.00 C ATOM 172 CD PRO A 12 1.890 -28.668 -10.578 1.00 0.00 C ATOM 0 HA PRO A 12 1.638 -27.360 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.856 -30.207 -8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.195 -28.848 -7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.034 -29.786 -10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.157 -28.069 -10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.342 -29.585 -10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.860 -27.962 -11.408 1.00 0.00 H new ATOM 180 N ASP A 13 3.057 -28.369 -6.025 1.00 0.00 N ATOM 181 CA ASP A 13 3.877 -28.959 -4.974 1.00 0.00 C ATOM 182 C ASP A 13 3.164 -28.907 -3.626 1.00 0.00 C ATOM 183 O ASP A 13 3.230 -27.904 -2.914 1.00 0.00 O ATOM 184 CB ASP A 13 5.212 -28.219 -4.875 1.00 0.00 C ATOM 185 CG ASP A 13 4.973 -26.756 -4.519 1.00 0.00 C ATOM 186 OD1 ASP A 13 3.820 -26.370 -4.422 1.00 0.00 O ATOM 187 OD2 ASP A 13 5.947 -26.044 -4.344 1.00 0.00 O ATOM 0 H ASP A 13 2.738 -27.419 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 13 4.055 -30.003 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.842 -28.688 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.747 -28.289 -5.822 1.00 0.00 H new ATOM 192 N PHE A 14 2.490 -29.997 -3.280 1.00 0.00 N ATOM 193 CA PHE A 14 1.775 -30.071 -2.011 1.00 0.00 C ATOM 194 C PHE A 14 2.757 -30.012 -0.844 1.00 0.00 C ATOM 195 O PHE A 14 2.467 -29.428 0.200 1.00 0.00 O ATOM 196 CB PHE A 14 0.972 -31.371 -1.937 1.00 0.00 C ATOM 197 CG PHE A 14 -0.197 -31.296 -2.890 1.00 0.00 C ATOM 198 CD1 PHE A 14 -1.417 -30.757 -2.461 1.00 0.00 C ATOM 199 CD2 PHE A 14 -0.061 -31.764 -4.202 1.00 0.00 C ATOM 200 CE1 PHE A 14 -2.500 -30.687 -3.345 1.00 0.00 C ATOM 201 CE2 PHE A 14 -1.146 -31.694 -5.086 1.00 0.00 C ATOM 202 CZ PHE A 14 -2.365 -31.156 -4.657 1.00 0.00 C ATOM 0 H PHE A 14 2.423 -30.837 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 14 1.095 -29.222 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.608 -32.219 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.616 -31.533 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.522 -30.396 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.880 -32.179 -4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.440 -30.271 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.042 -32.055 -6.098 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.201 -31.103 -5.338 1.00 0.00 H new ATOM 212 N GLY A 15 3.919 -30.629 -1.033 1.00 0.00 N ATOM 213 CA GLY A 15 4.945 -30.656 0.005 1.00 0.00 C ATOM 214 C GLY A 15 5.402 -29.249 0.375 1.00 0.00 C ATOM 215 O GLY A 15 5.639 -28.955 1.547 1.00 0.00 O ATOM 0 H GLY A 15 4.174 -31.116 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.555 -31.158 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.799 -31.238 -0.341 1.00 0.00 H new ATOM 219 N GLY A 16 5.526 -28.378 -0.623 1.00 0.00 N ATOM 220 CA GLY A 16 5.956 -27.009 -0.374 1.00 0.00 C ATOM 221 C GLY A 16 4.752 -26.109 -0.145 1.00 0.00 C ATOM 222 O GLY A 16 3.635 -26.591 0.041 1.00 0.00 O ATOM 0 H GLY A 16 5.337 -28.594 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.611 -26.979 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.536 -26.643 -1.222 1.00 0.00 H new ATOM 226 N PHE A 17 4.976 -24.802 -0.170 1.00 0.00 N ATOM 227 CA PHE A 17 3.889 -23.855 0.026 1.00 0.00 C ATOM 228 C PHE A 17 3.751 -22.959 -1.200 1.00 0.00 C ATOM 229 O PHE A 17 4.531 -22.027 -1.394 1.00 0.00 O ATOM 230 CB PHE A 17 4.149 -23.007 1.274 1.00 0.00 C ATOM 231 CG PHE A 17 5.535 -22.407 1.206 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.625 -23.107 1.735 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.728 -21.151 0.620 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.909 -22.552 1.678 1.00 0.00 C ATOM 235 CE2 PHE A 17 7.012 -20.595 0.562 1.00 0.00 C ATOM 236 CZ PHE A 17 8.103 -21.296 1.091 1.00 0.00 C ATOM 0 H PHE A 17 5.891 -24.377 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 17 2.959 -24.407 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.403 -22.215 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.052 -23.622 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.476 -24.076 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.887 -20.610 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.750 -23.093 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.161 -19.626 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.093 -20.868 1.046 1.00 0.00 H new ATOM 246 N GLU A 18 2.734 -23.232 -2.008 1.00 0.00 N ATOM 247 CA GLU A 18 2.473 -22.429 -3.197 1.00 0.00 C ATOM 248 C GLU A 18 1.002 -22.546 -3.588 1.00 0.00 C ATOM 249 O GLU A 18 0.393 -23.600 -3.408 1.00 0.00 O ATOM 250 CB GLU A 18 3.365 -22.877 -4.358 1.00 0.00 C ATOM 251 CG GLU A 18 4.833 -22.723 -3.955 1.00 0.00 C ATOM 252 CD GLU A 18 5.739 -23.079 -5.129 1.00 0.00 C ATOM 253 OE1 GLU A 18 5.628 -22.429 -6.155 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.534 -23.992 -4.983 1.00 0.00 O ATOM 0 H GLU A 18 2.079 -24.000 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 18 2.702 -21.387 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.153 -23.915 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.155 -22.280 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.025 -21.699 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.055 -23.369 -3.106 1.00 0.00 H new ATOM 261 N PHE A 19 0.432 -21.471 -4.121 1.00 0.00 N ATOM 262 CA PHE A 19 -0.969 -21.497 -4.523 1.00 0.00 C ATOM 263 C PHE A 19 -1.088 -21.416 -6.040 1.00 0.00 C ATOM 264 O PHE A 19 -0.516 -20.526 -6.671 1.00 0.00 O ATOM 265 CB PHE A 19 -1.724 -20.326 -3.890 1.00 0.00 C ATOM 266 CG PHE A 19 -3.182 -20.407 -4.275 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.679 -19.629 -5.327 1.00 0.00 C ATOM 268 CD2 PHE A 19 -4.038 -21.270 -3.578 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.031 -19.711 -5.681 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.391 -21.351 -3.932 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.886 -20.573 -4.982 1.00 0.00 C ATOM 0 H PHE A 19 0.909 -20.584 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.406 -22.435 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.620 -20.355 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.299 -19.380 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.019 -18.965 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.655 -21.873 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.415 -19.110 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.051 -22.015 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.929 -20.636 -5.255 1.00 0.00 H new ATOM 281 N TYR A 20 -1.834 -22.349 -6.623 1.00 0.00 N ATOM 282 CA TYR A 20 -2.016 -22.367 -8.070 1.00 0.00 C ATOM 283 C TYR A 20 -3.499 -22.420 -8.425 1.00 0.00 C ATOM 284 O TYR A 20 -4.266 -23.150 -7.799 1.00 0.00 O ATOM 285 CB TYR A 20 -1.328 -23.594 -8.675 1.00 0.00 C ATOM 286 CG TYR A 20 0.145 -23.579 -8.351 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.656 -24.469 -7.400 1.00 0.00 C ATOM 288 CD2 TYR A 20 1.000 -22.685 -9.005 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.023 -24.467 -7.103 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.369 -22.680 -8.707 1.00 0.00 C ATOM 291 CZ TYR A 20 2.879 -23.572 -7.756 1.00 0.00 C ATOM 292 OH TYR A 20 4.228 -23.569 -7.464 1.00 0.00 O ATOM 0 H TYR A 20 -2.317 -23.095 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.576 -21.455 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.784 -24.504 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.470 -23.603 -9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.005 -25.158 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.605 -21.999 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.418 -25.155 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.030 -21.989 -9.210 1.00 0.00 H new ATOM 0 HH TYR A 20 4.470 -22.717 -7.045 1.00 0.00 H new ATOM 302 N VAL A 21 -3.892 -21.661 -9.443 1.00 0.00 N ATOM 303 CA VAL A 21 -5.283 -21.657 -9.876 1.00 0.00 C ATOM 304 C VAL A 21 -5.461 -22.627 -11.035 1.00 0.00 C ATOM 305 O VAL A 21 -4.843 -22.466 -12.088 1.00 0.00 O ATOM 306 CB VAL A 21 -5.699 -20.255 -10.329 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.142 -20.291 -10.833 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.604 -19.280 -9.153 1.00 0.00 C ATOM 0 H VAL A 21 -3.275 -21.049 -9.977 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.908 -21.961 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.035 -19.926 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.440 -19.293 -11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.217 -20.982 -11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.800 -20.624 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.901 -18.284 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.265 -19.610 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.578 -19.250 -8.787 1.00 0.00 H new ATOM 318 N GLU A 22 -6.302 -23.636 -10.842 1.00 0.00 N ATOM 319 CA GLU A 22 -6.537 -24.617 -11.891 1.00 0.00 C ATOM 320 C GLU A 22 -7.330 -23.991 -13.028 1.00 0.00 C ATOM 321 O GLU A 22 -8.257 -23.216 -12.793 1.00 0.00 O ATOM 322 CB GLU A 22 -7.305 -25.814 -11.325 1.00 0.00 C ATOM 323 CG GLU A 22 -6.417 -26.571 -10.336 1.00 0.00 C ATOM 324 CD GLU A 22 -7.200 -27.716 -9.702 1.00 0.00 C ATOM 325 OE1 GLU A 22 -8.400 -27.777 -9.917 1.00 0.00 O ATOM 326 OE2 GLU A 22 -6.590 -28.514 -9.011 1.00 0.00 O ATOM 0 H GLU A 22 -6.825 -23.794 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.575 -24.956 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.213 -25.474 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.613 -26.477 -12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.538 -26.961 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.059 -25.892 -9.562 1.00 0.00 H new ATOM 333 N ALA A 23 -6.957 -24.315 -14.262 1.00 0.00 N ATOM 334 CA ALA A 23 -7.647 -23.753 -15.413 1.00 0.00 C ATOM 335 C ALA A 23 -9.151 -23.796 -15.186 1.00 0.00 C ATOM 336 O ALA A 23 -9.714 -24.843 -14.868 1.00 0.00 O ATOM 337 CB ALA A 23 -7.293 -24.542 -16.673 1.00 0.00 C ATOM 0 H ALA A 23 -6.194 -24.953 -14.487 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.333 -22.717 -15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.814 -24.114 -17.529 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.217 -24.494 -16.842 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.595 -25.582 -16.548 1.00 0.00 H new ATOM 343 N GLY A 24 -9.794 -22.644 -15.340 1.00 0.00 N ATOM 344 CA GLY A 24 -11.235 -22.557 -15.139 1.00 0.00 C ATOM 345 C GLY A 24 -11.562 -22.462 -13.651 1.00 0.00 C ATOM 346 O GLY A 24 -12.729 -22.498 -13.258 1.00 0.00 O ATOM 0 H GLY A 24 -9.346 -21.766 -15.601 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.629 -21.685 -15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.722 -23.432 -15.569 1.00 0.00 H new ATOM 350 N GLN A 25 -10.524 -22.342 -12.827 1.00 0.00 N ATOM 351 CA GLN A 25 -10.708 -22.246 -11.383 1.00 0.00 C ATOM 352 C GLN A 25 -10.555 -20.799 -10.929 1.00 0.00 C ATOM 353 O GLN A 25 -9.615 -20.111 -11.329 1.00 0.00 O ATOM 354 CB GLN A 25 -9.681 -23.125 -10.669 1.00 0.00 C ATOM 355 CG GLN A 25 -10.134 -23.383 -9.229 1.00 0.00 C ATOM 356 CD GLN A 25 -9.790 -22.189 -8.347 1.00 0.00 C ATOM 357 OE1 GLN A 25 -8.829 -21.469 -8.622 1.00 0.00 O ATOM 358 NE2 GLN A 25 -10.519 -21.937 -7.295 1.00 0.00 N ATOM 0 H GLN A 25 -9.552 -22.309 -13.133 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.711 -22.591 -11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.566 -24.070 -11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.706 -22.637 -10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.209 -23.564 -9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.651 -24.281 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.314 -22.535 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.294 -21.142 -6.697 1.00 0.00 H new ATOM 367 N GLN A 26 -11.483 -20.338 -10.096 1.00 0.00 N ATOM 368 CA GLN A 26 -11.431 -18.966 -9.605 1.00 0.00 C ATOM 369 C GLN A 26 -10.417 -18.836 -8.472 1.00 0.00 C ATOM 370 O GLN A 26 -10.445 -19.602 -7.509 1.00 0.00 O ATOM 371 CB GLN A 26 -12.812 -18.527 -9.116 1.00 0.00 C ATOM 372 CG GLN A 26 -13.026 -19.011 -7.682 1.00 0.00 C ATOM 373 CD GLN A 26 -12.455 -17.995 -6.699 1.00 0.00 C ATOM 374 OE1 GLN A 26 -12.321 -16.817 -7.031 1.00 0.00 O ATOM 375 NE2 GLN A 26 -12.113 -18.381 -5.502 1.00 0.00 N ATOM 0 H GLN A 26 -12.271 -20.887 -9.751 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.120 -18.321 -10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.896 -17.441 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.586 -18.934 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.090 -19.155 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.544 -19.978 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.225 -19.358 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.733 -17.707 -4.838 1.00 0.00 H new ATOM 384 N PHE A 27 -9.521 -17.864 -8.597 1.00 0.00 N ATOM 385 CA PHE A 27 -8.497 -17.647 -7.579 1.00 0.00 C ATOM 386 C PHE A 27 -9.134 -17.353 -6.230 1.00 0.00 C ATOM 387 O PHE A 27 -9.975 -16.462 -6.103 1.00 0.00 O ATOM 388 CB PHE A 27 -7.602 -16.473 -7.986 1.00 0.00 C ATOM 389 CG PHE A 27 -6.564 -16.226 -6.915 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.787 -15.251 -5.936 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.375 -16.962 -6.908 1.00 0.00 C ATOM 392 CE1 PHE A 27 -5.822 -15.013 -4.952 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.409 -16.726 -5.922 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.634 -15.751 -4.944 1.00 0.00 C ATOM 0 H PHE A 27 -9.481 -17.218 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.898 -18.554 -7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.113 -16.688 -8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.206 -15.578 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.705 -14.682 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.201 -17.713 -7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.994 -14.259 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.492 -17.296 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.890 -15.568 -4.183 1.00 0.00 H new ATOM 404 N ASP A 28 -8.723 -18.114 -5.223 1.00 0.00 N ATOM 405 CA ASP A 28 -9.254 -17.941 -3.881 1.00 0.00 C ATOM 406 C ASP A 28 -8.473 -16.869 -3.130 1.00 0.00 C ATOM 407 O ASP A 28 -7.593 -17.176 -2.324 1.00 0.00 O ATOM 408 CB ASP A 28 -9.167 -19.265 -3.123 1.00 0.00 C ATOM 409 CG ASP A 28 -9.940 -20.346 -3.868 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.070 -20.084 -4.249 1.00 0.00 O ATOM 411 OD2 ASP A 28 -9.395 -21.422 -4.048 1.00 0.00 O ATOM 0 H ASP A 28 -8.026 -18.854 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.295 -17.627 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.124 -19.563 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.571 -19.145 -2.118 1.00 0.00 H new ATOM 416 N ASP A 29 -8.802 -15.612 -3.398 1.00 0.00 N ATOM 417 CA ASP A 29 -8.127 -14.501 -2.738 1.00 0.00 C ATOM 418 C ASP A 29 -8.512 -14.445 -1.265 1.00 0.00 C ATOM 419 O ASP A 29 -7.771 -13.912 -0.439 1.00 0.00 O ATOM 420 CB ASP A 29 -8.503 -13.183 -3.417 1.00 0.00 C ATOM 421 CG ASP A 29 -10.007 -12.954 -3.318 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.673 -13.776 -2.710 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.471 -11.961 -3.852 1.00 0.00 O ATOM 0 H ASP A 29 -9.526 -15.337 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.051 -14.654 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.970 -12.357 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.198 -13.204 -4.463 1.00 0.00 H new ATOM 428 N SER A 30 -9.673 -15.005 -0.940 1.00 0.00 N ATOM 429 CA SER A 30 -10.143 -15.018 0.439 1.00 0.00 C ATOM 430 C SER A 30 -9.206 -15.840 1.319 1.00 0.00 C ATOM 431 O SER A 30 -8.897 -15.452 2.446 1.00 0.00 O ATOM 432 CB SER A 30 -11.553 -15.604 0.506 1.00 0.00 C ATOM 433 OG SER A 30 -12.453 -14.737 -0.171 1.00 0.00 O ATOM 0 H SER A 30 -10.301 -15.452 -1.608 1.00 0.00 H new ATOM 0 HA SER A 30 -10.159 -13.992 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.570 -16.594 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.860 -15.727 1.545 1.00 0.00 H new ATOM 0 HG SER A 30 -13.358 -15.110 -0.132 1.00 0.00 H new ATOM 439 N ALA A 31 -8.757 -16.978 0.796 1.00 0.00 N ATOM 440 CA ALA A 31 -7.854 -17.845 1.547 1.00 0.00 C ATOM 441 C ALA A 31 -6.408 -17.414 1.344 1.00 0.00 C ATOM 442 O ALA A 31 -5.539 -17.718 2.157 1.00 0.00 O ATOM 443 CB ALA A 31 -8.026 -19.298 1.102 1.00 0.00 C ATOM 0 H ALA A 31 -9.000 -17.318 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.101 -17.763 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.347 -19.935 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.054 -19.614 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.800 -19.382 0.039 1.00 0.00 H new ATOM 449 N TYR A 32 -6.160 -16.702 0.254 1.00 0.00 N ATOM 450 CA TYR A 32 -4.816 -16.229 -0.039 1.00 0.00 C ATOM 451 C TYR A 32 -4.347 -15.299 1.070 1.00 0.00 C ATOM 452 O TYR A 32 -3.170 -15.290 1.434 1.00 0.00 O ATOM 453 CB TYR A 32 -4.787 -15.488 -1.376 1.00 0.00 C ATOM 454 CG TYR A 32 -3.351 -15.204 -1.755 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.627 -16.142 -2.500 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.745 -14.008 -1.357 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.297 -15.881 -2.852 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.414 -13.747 -1.706 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.691 -14.683 -2.453 1.00 0.00 C ATOM 460 OH TYR A 32 0.620 -14.426 -2.799 1.00 0.00 O ATOM 0 H TYR A 32 -6.865 -16.441 -0.436 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.150 -17.089 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.268 -16.088 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.347 -14.556 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.094 -17.067 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.304 -13.286 -0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.739 -16.603 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.946 -12.823 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 32 0.814 -13.475 -2.661 1.00 0.00 H new ATOM 470 N GLU A 33 -5.278 -14.509 1.593 1.00 0.00 N ATOM 471 CA GLU A 33 -4.955 -13.564 2.653 1.00 0.00 C ATOM 472 C GLU A 33 -4.435 -14.291 3.885 1.00 0.00 C ATOM 473 O GLU A 33 -3.471 -13.853 4.508 1.00 0.00 O ATOM 474 CB GLU A 33 -6.200 -12.759 3.026 1.00 0.00 C ATOM 475 CG GLU A 33 -6.559 -11.814 1.880 1.00 0.00 C ATOM 476 CD GLU A 33 -7.873 -11.103 2.181 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.532 -11.493 3.130 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.202 -10.178 1.457 1.00 0.00 O ATOM 0 H GLU A 33 -6.256 -14.504 1.302 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.178 -12.892 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.033 -13.432 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.018 -12.190 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.764 -11.082 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.645 -12.374 0.949 1.00 0.00 H new ATOM 485 N GLU A 34 -5.065 -15.410 4.229 1.00 0.00 N ATOM 486 CA GLU A 34 -4.628 -16.183 5.385 1.00 0.00 C ATOM 487 C GLU A 34 -3.427 -17.041 5.005 1.00 0.00 C ATOM 488 O GLU A 34 -2.648 -17.458 5.861 1.00 0.00 O ATOM 489 CB GLU A 34 -5.765 -17.078 5.883 1.00 0.00 C ATOM 490 CG GLU A 34 -5.829 -18.347 5.033 1.00 0.00 C ATOM 491 CD GLU A 34 -5.173 -19.505 5.778 1.00 0.00 C ATOM 492 OE1 GLU A 34 -4.812 -20.473 5.129 1.00 0.00 O ATOM 493 OE2 GLU A 34 -5.041 -19.408 6.987 1.00 0.00 O ATOM 0 H GLU A 34 -5.868 -15.797 3.732 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.345 -15.496 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.606 -17.337 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.713 -16.543 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.867 -18.591 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.324 -18.183 4.081 1.00 0.00 H new ATOM 500 N ALA A 35 -3.282 -17.281 3.705 1.00 0.00 N ATOM 501 CA ALA A 35 -2.167 -18.070 3.199 1.00 0.00 C ATOM 502 C ALA A 35 -0.859 -17.296 3.325 1.00 0.00 C ATOM 503 O ALA A 35 0.177 -17.855 3.686 1.00 0.00 O ATOM 504 CB ALA A 35 -2.408 -18.431 1.732 1.00 0.00 C ATOM 0 H ALA A 35 -3.921 -16.941 2.986 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.094 -18.982 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.570 -19.021 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.327 -19.011 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.499 -17.518 1.143 1.00 0.00 H new ATOM 510 N TYR A 36 -0.918 -16.002 3.019 1.00 0.00 N ATOM 511 CA TYR A 36 0.262 -15.147 3.089 1.00 0.00 C ATOM 512 C TYR A 36 0.056 -14.020 4.097 1.00 0.00 C ATOM 513 O TYR A 36 0.956 -13.216 4.338 1.00 0.00 O ATOM 514 CB TYR A 36 0.549 -14.558 1.707 1.00 0.00 C ATOM 515 CG TYR A 36 0.872 -15.676 0.745 1.00 0.00 C ATOM 516 CD1 TYR A 36 2.187 -16.144 0.631 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.143 -16.250 -0.029 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.486 -17.182 -0.259 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.156 -17.289 -0.918 1.00 0.00 C ATOM 520 CZ TYR A 36 1.471 -17.754 -1.034 1.00 0.00 C ATOM 521 OH TYR A 36 1.765 -18.780 -1.909 1.00 0.00 O ATOM 0 H TYR A 36 -1.769 -15.524 2.721 1.00 0.00 H new ATOM 0 HA TYR A 36 1.110 -15.750 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.315 -13.996 1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.383 -13.859 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.971 -15.704 1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.158 -15.891 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.501 -17.542 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.628 -17.732 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 36 0.947 -19.063 -2.368 1.00 0.00 H new ATOM 531 N GLY A 37 -1.130 -13.978 4.694 1.00 0.00 N ATOM 532 CA GLY A 37 -1.438 -12.956 5.689 1.00 0.00 C ATOM 533 C GLY A 37 -1.444 -11.562 5.069 1.00 0.00 C ATOM 534 O GLY A 37 -1.163 -10.575 5.750 1.00 0.00 O ATOM 0 H GLY A 37 -1.889 -14.634 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.411 -13.162 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.703 -12.995 6.493 1.00 0.00 H new ATOM 538 N VAL A 38 -1.757 -11.478 3.779 1.00 0.00 N ATOM 539 CA VAL A 38 -1.782 -10.184 3.102 1.00 0.00 C ATOM 540 C VAL A 38 -3.079 -9.997 2.320 1.00 0.00 C ATOM 541 O VAL A 38 -3.733 -10.964 1.936 1.00 0.00 O ATOM 542 CB VAL A 38 -0.591 -10.074 2.148 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.713 -10.178 2.942 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.654 -11.208 1.123 1.00 0.00 C ATOM 0 H VAL A 38 -1.993 -12.276 3.189 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.721 -9.404 3.861 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.626 -9.114 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.561 -10.100 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.759 -9.371 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.749 -11.138 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.194 -11.131 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.619 -12.167 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.582 -11.135 0.556 1.00 0.00 H new ATOM 554 N SER A 39 -3.440 -8.741 2.087 1.00 0.00 N ATOM 555 CA SER A 39 -4.660 -8.429 1.350 1.00 0.00 C ATOM 556 C SER A 39 -4.416 -8.506 -0.155 1.00 0.00 C ATOM 557 O SER A 39 -3.495 -7.876 -0.676 1.00 0.00 O ATOM 558 CB SER A 39 -5.148 -7.028 1.718 1.00 0.00 C ATOM 559 OG SER A 39 -6.272 -6.696 0.913 1.00 0.00 O ATOM 0 H SER A 39 -2.910 -7.926 2.395 1.00 0.00 H new ATOM 0 HA SER A 39 -5.420 -9.162 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.418 -6.990 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.350 -6.301 1.567 1.00 0.00 H new ATOM 0 HG SER A 39 -6.589 -5.799 1.148 1.00 0.00 H new ATOM 565 N VAL A 40 -5.248 -9.280 -0.851 1.00 0.00 N ATOM 566 CA VAL A 40 -5.110 -9.426 -2.293 1.00 0.00 C ATOM 567 C VAL A 40 -6.098 -8.509 -3.007 1.00 0.00 C ATOM 568 O VAL A 40 -7.309 -8.712 -2.935 1.00 0.00 O ATOM 569 CB VAL A 40 -5.380 -10.878 -2.693 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.197 -11.037 -4.203 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.404 -11.801 -1.960 1.00 0.00 C ATOM 0 H VAL A 40 -6.017 -9.810 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.095 -9.153 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.402 -11.143 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.390 -12.072 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.895 -10.382 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.176 -10.770 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.597 -12.835 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.381 -11.535 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.538 -11.691 -0.884 1.00 0.00 H new ATOM 581 N PRO A 41 -5.605 -7.509 -3.683 1.00 0.00 N ATOM 582 CA PRO A 41 -6.467 -6.536 -4.421 1.00 0.00 C ATOM 583 C PRO A 41 -7.376 -7.235 -5.428 1.00 0.00 C ATOM 584 O PRO A 41 -6.943 -8.136 -6.146 1.00 0.00 O ATOM 585 CB PRO A 41 -5.455 -5.635 -5.139 1.00 0.00 C ATOM 586 CG PRO A 41 -4.202 -5.752 -4.340 1.00 0.00 C ATOM 587 CD PRO A 41 -4.177 -7.187 -3.822 1.00 0.00 C ATOM 0 HA PRO A 41 -7.138 -5.990 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.299 -5.958 -6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.803 -4.603 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.325 -5.541 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.194 -5.038 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.677 -7.860 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.651 -7.264 -2.871 1.00 0.00 H new ATOM 595 N SER A 42 -8.644 -6.838 -5.454 1.00 0.00 N ATOM 596 CA SER A 42 -9.605 -7.463 -6.352 1.00 0.00 C ATOM 597 C SER A 42 -9.143 -7.371 -7.803 1.00 0.00 C ATOM 598 O SER A 42 -9.345 -8.302 -8.581 1.00 0.00 O ATOM 599 CB SER A 42 -10.965 -6.779 -6.211 1.00 0.00 C ATOM 600 OG SER A 42 -10.845 -5.414 -6.586 1.00 0.00 O ATOM 0 H SER A 42 -9.026 -6.094 -4.870 1.00 0.00 H new ATOM 0 HA SER A 42 -9.687 -8.515 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.703 -7.277 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.319 -6.856 -5.183 1.00 0.00 H new ATOM 0 HG SER A 42 -11.716 -4.973 -6.498 1.00 0.00 H new ATOM 606 N ALA A 43 -8.522 -6.257 -8.166 1.00 0.00 N ATOM 607 CA ALA A 43 -8.046 -6.089 -9.533 1.00 0.00 C ATOM 608 C ALA A 43 -7.002 -7.150 -9.878 1.00 0.00 C ATOM 609 O ALA A 43 -7.023 -7.722 -10.967 1.00 0.00 O ATOM 610 CB ALA A 43 -7.436 -4.696 -9.704 1.00 0.00 C ATOM 0 H ALA A 43 -8.338 -5.468 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.895 -6.202 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.082 -4.577 -10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.191 -3.939 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.600 -4.578 -9.015 1.00 0.00 H new ATOM 616 N VAL A 44 -6.092 -7.404 -8.942 1.00 0.00 N ATOM 617 CA VAL A 44 -5.043 -8.397 -9.156 1.00 0.00 C ATOM 618 C VAL A 44 -5.626 -9.804 -9.282 1.00 0.00 C ATOM 619 O VAL A 44 -5.244 -10.568 -10.169 1.00 0.00 O ATOM 620 CB VAL A 44 -4.049 -8.361 -7.994 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.077 -9.538 -8.114 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.264 -7.047 -8.037 1.00 0.00 C ATOM 0 H VAL A 44 -6.059 -6.940 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.534 -8.151 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.591 -8.433 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.369 -9.511 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.634 -10.474 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.535 -9.467 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.555 -7.019 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.723 -6.977 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.954 -6.208 -7.951 1.00 0.00 H new ATOM 632 N VAL A 45 -6.545 -10.139 -8.381 1.00 0.00 N ATOM 633 CA VAL A 45 -7.170 -11.459 -8.388 1.00 0.00 C ATOM 634 C VAL A 45 -8.021 -11.675 -9.632 1.00 0.00 C ATOM 635 O VAL A 45 -8.094 -12.789 -10.149 1.00 0.00 O ATOM 636 CB VAL A 45 -8.034 -11.630 -7.138 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.061 -10.503 -7.067 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.765 -12.971 -7.203 1.00 0.00 C ATOM 0 H VAL A 45 -6.872 -9.519 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.373 -12.203 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.397 -11.601 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.676 -10.627 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.546 -9.544 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.696 -10.533 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.381 -13.093 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.399 -12.997 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.037 -13.780 -7.254 1.00 0.00 H new ATOM 648 N GLU A 46 -8.669 -10.619 -10.116 1.00 0.00 N ATOM 649 CA GLU A 46 -9.504 -10.762 -11.300 1.00 0.00 C ATOM 650 C GLU A 46 -8.656 -11.208 -12.486 1.00 0.00 C ATOM 651 O GLU A 46 -9.040 -12.114 -13.228 1.00 0.00 O ATOM 652 CB GLU A 46 -10.195 -9.436 -11.627 1.00 0.00 C ATOM 653 CG GLU A 46 -11.273 -9.148 -10.579 1.00 0.00 C ATOM 654 CD GLU A 46 -11.824 -7.740 -10.770 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.851 -7.442 -10.183 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.212 -6.980 -11.503 1.00 0.00 O ATOM 0 H GLU A 46 -8.634 -9.680 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.265 -11.516 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.464 -8.628 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.642 -9.482 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.079 -9.877 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.855 -9.251 -9.578 1.00 0.00 H new ATOM 663 N GLU A 47 -7.506 -10.568 -12.664 1.00 0.00 N ATOM 664 CA GLU A 47 -6.617 -10.908 -13.769 1.00 0.00 C ATOM 665 C GLU A 47 -6.164 -12.358 -13.650 1.00 0.00 C ATOM 666 O GLU A 47 -6.061 -13.069 -14.651 1.00 0.00 O ATOM 667 CB GLU A 47 -5.396 -9.987 -13.763 1.00 0.00 C ATOM 668 CG GLU A 47 -5.824 -8.570 -14.151 1.00 0.00 C ATOM 669 CD GLU A 47 -6.461 -8.579 -15.538 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.534 -8.016 -15.677 1.00 0.00 O ATOM 671 OE2 GLU A 47 -5.867 -9.149 -16.437 1.00 0.00 O ATOM 0 H GLU A 47 -7.169 -9.816 -12.063 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.159 -10.778 -14.706 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.936 -9.982 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.645 -10.356 -14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.532 -8.182 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.960 -7.905 -14.143 1.00 0.00 H new ATOM 678 N MET A 48 -5.901 -12.793 -12.424 1.00 0.00 N ATOM 679 CA MET A 48 -5.468 -14.164 -12.193 1.00 0.00 C ATOM 680 C MET A 48 -6.554 -15.133 -12.647 1.00 0.00 C ATOM 681 O MET A 48 -6.265 -16.168 -13.246 1.00 0.00 O ATOM 682 CB MET A 48 -5.176 -14.379 -10.706 1.00 0.00 C ATOM 683 CG MET A 48 -3.934 -13.579 -10.308 1.00 0.00 C ATOM 684 SD MET A 48 -2.517 -14.137 -11.285 1.00 0.00 S ATOM 685 CE MET A 48 -2.538 -12.799 -12.502 1.00 0.00 C ATOM 0 H MET A 48 -5.979 -12.222 -11.582 1.00 0.00 H new ATOM 0 HA MET A 48 -4.559 -14.348 -12.765 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.031 -14.065 -10.108 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.019 -15.439 -10.505 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.106 -12.515 -10.472 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.730 -13.709 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.602 -12.800 -13.060 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.371 -12.946 -13.190 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.655 -11.844 -11.990 1.00 0.00 H new ATOM 695 N ASN A 49 -7.807 -14.780 -12.368 1.00 0.00 N ATOM 696 CA ASN A 49 -8.930 -15.619 -12.768 1.00 0.00 C ATOM 697 C ASN A 49 -9.000 -15.719 -14.289 1.00 0.00 C ATOM 698 O ASN A 49 -9.264 -16.786 -14.842 1.00 0.00 O ATOM 699 CB ASN A 49 -10.239 -15.035 -12.233 1.00 0.00 C ATOM 700 CG ASN A 49 -10.334 -15.255 -10.726 1.00 0.00 C ATOM 701 OD1 ASN A 49 -10.626 -16.362 -10.279 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.108 -14.262 -9.911 1.00 0.00 N ATOM 0 H ASN A 49 -8.067 -13.928 -11.872 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.783 -16.616 -12.351 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.289 -13.969 -12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.087 -15.505 -12.731 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.174 -14.404 -8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.866 -13.343 -10.282 1.00 0.00 H new ATOM 709 N ALA A 50 -8.754 -14.596 -14.959 1.00 0.00 N ATOM 710 CA ALA A 50 -8.785 -14.565 -16.417 1.00 0.00 C ATOM 711 C ALA A 50 -7.707 -15.479 -16.988 1.00 0.00 C ATOM 712 O ALA A 50 -7.940 -16.205 -17.954 1.00 0.00 O ATOM 713 CB ALA A 50 -8.564 -13.136 -16.915 1.00 0.00 C ATOM 0 H ALA A 50 -8.533 -13.703 -14.519 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.761 -14.916 -16.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.589 -13.123 -18.005 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.351 -12.489 -16.526 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.595 -12.776 -16.570 1.00 0.00 H new ATOM 719 N LYS A 51 -6.523 -15.427 -16.388 1.00 0.00 N ATOM 720 CA LYS A 51 -5.405 -16.240 -16.843 1.00 0.00 C ATOM 721 C LYS A 51 -5.736 -17.724 -16.732 1.00 0.00 C ATOM 722 O LYS A 51 -5.390 -18.512 -17.609 1.00 0.00 O ATOM 723 CB LYS A 51 -4.176 -15.927 -15.993 1.00 0.00 C ATOM 724 CG LYS A 51 -3.702 -14.508 -16.304 1.00 0.00 C ATOM 725 CD LYS A 51 -2.517 -14.159 -15.407 1.00 0.00 C ATOM 726 CE LYS A 51 -2.084 -12.720 -15.682 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.566 -12.614 -17.076 1.00 0.00 N ATOM 0 H LYS A 51 -6.314 -14.831 -15.587 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.205 -16.007 -17.889 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.418 -16.019 -14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.382 -16.643 -16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.413 -14.431 -17.352 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.514 -13.799 -16.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.793 -14.274 -14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.689 -14.843 -15.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.927 -12.043 -15.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.313 -12.419 -14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.987 -11.755 -17.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.985 -13.448 -17.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.365 -12.565 -17.740 1.00 0.00 H new ATOM 741 N ALA A 52 -6.411 -18.096 -15.650 1.00 0.00 N ATOM 742 CA ALA A 52 -6.784 -19.490 -15.432 1.00 0.00 C ATOM 743 C ALA A 52 -7.685 -19.990 -16.556 1.00 0.00 C ATOM 744 O ALA A 52 -7.560 -21.132 -17.002 1.00 0.00 O ATOM 745 CB ALA A 52 -7.510 -19.630 -14.094 1.00 0.00 C ATOM 0 H ALA A 52 -6.710 -17.457 -14.914 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.875 -20.091 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.786 -20.673 -13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.853 -19.303 -13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.409 -19.014 -14.102 1.00 0.00 H new ATOM 751 N ALA A 53 -8.582 -19.128 -17.019 1.00 0.00 N ATOM 752 CA ALA A 53 -9.485 -19.488 -18.105 1.00 0.00 C ATOM 753 C ALA A 53 -8.695 -19.778 -19.377 1.00 0.00 C ATOM 754 O ALA A 53 -9.013 -20.702 -20.126 1.00 0.00 O ATOM 755 CB ALA A 53 -10.474 -18.350 -18.364 1.00 0.00 C ATOM 0 H ALA A 53 -8.703 -18.180 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.034 -20.384 -17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.144 -18.629 -19.177 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.056 -18.162 -17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.927 -17.448 -18.638 1.00 0.00 H new ATOM 761 N GLN A 54 -7.657 -18.981 -19.602 1.00 0.00 N ATOM 762 CA GLN A 54 -6.804 -19.147 -20.773 1.00 0.00 C ATOM 763 C GLN A 54 -5.929 -20.388 -20.630 1.00 0.00 C ATOM 764 O GLN A 54 -5.487 -20.966 -21.623 1.00 0.00 O ATOM 765 CB GLN A 54 -5.918 -17.914 -20.956 1.00 0.00 C ATOM 766 CG GLN A 54 -6.779 -16.722 -21.378 1.00 0.00 C ATOM 767 CD GLN A 54 -5.945 -15.446 -21.363 1.00 0.00 C ATOM 768 OE1 GLN A 54 -4.996 -15.332 -20.586 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.243 -14.473 -22.180 1.00 0.00 N ATOM 0 H GLN A 54 -7.385 -18.213 -18.988 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.443 -19.267 -21.648 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.396 -17.688 -20.026 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.156 -18.110 -21.710 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.184 -16.890 -22.376 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.628 -16.619 -20.703 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.029 -14.569 -22.823 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.690 -13.616 -22.176 1.00 0.00 H new ATOM 778 N LEU A 55 -5.668 -20.778 -19.387 1.00 0.00 N ATOM 779 CA LEU A 55 -4.825 -21.938 -19.117 1.00 0.00 C ATOM 780 C LEU A 55 -5.436 -23.222 -19.669 1.00 0.00 C ATOM 781 O LEU A 55 -6.628 -23.483 -19.510 1.00 0.00 O ATOM 782 CB LEU A 55 -4.615 -22.088 -17.609 1.00 0.00 C ATOM 783 CG LEU A 55 -3.693 -20.977 -17.106 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.679 -20.977 -15.577 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.274 -21.223 -17.627 1.00 0.00 C ATOM 0 H LEU A 55 -6.026 -20.311 -18.554 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.870 -21.773 -19.615 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.573 -22.041 -17.092 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.181 -23.063 -17.387 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.054 -20.013 -17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.021 -20.185 -15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.689 -20.807 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.317 -21.940 -15.216 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.613 -20.433 -17.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.915 -22.187 -17.265 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.282 -21.225 -18.717 1.00 0.00 H new ATOM 797 N LYS A 56 -4.589 -24.020 -20.311 1.00 0.00 N ATOM 798 CA LYS A 56 -5.016 -25.290 -20.887 1.00 0.00 C ATOM 799 C LYS A 56 -4.908 -26.400 -19.847 1.00 0.00 C ATOM 800 O LYS A 56 -4.446 -26.169 -18.729 1.00 0.00 O ATOM 801 CB LYS A 56 -4.148 -25.635 -22.100 1.00 0.00 C ATOM 802 CG LYS A 56 -4.383 -24.602 -23.205 1.00 0.00 C ATOM 803 CD LYS A 56 -3.516 -24.947 -24.418 1.00 0.00 C ATOM 804 CE LYS A 56 -3.752 -23.915 -25.525 1.00 0.00 C ATOM 805 NZ LYS A 56 -2.901 -24.248 -26.702 1.00 0.00 N ATOM 0 H LYS A 56 -3.600 -23.809 -20.446 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.055 -25.198 -21.205 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.096 -25.647 -21.816 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.392 -26.634 -22.463 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.435 -24.590 -23.488 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.139 -23.604 -22.842 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.464 -24.958 -24.135 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.759 -25.946 -24.780 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.803 -23.908 -25.813 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.514 -22.915 -25.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.060 -23.548 -27.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.900 -24.233 -26.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.148 -25.195 -27.052 1.00 0.00 H new ATOM 819 N ASP A 57 -5.331 -27.604 -20.217 1.00 0.00 N ATOM 820 CA ASP A 57 -5.268 -28.736 -19.298 1.00 0.00 C ATOM 821 C ASP A 57 -3.831 -29.234 -19.173 1.00 0.00 C ATOM 822 O ASP A 57 -3.229 -29.679 -20.150 1.00 0.00 O ATOM 823 CB ASP A 57 -6.162 -29.870 -19.804 1.00 0.00 C ATOM 824 CG ASP A 57 -6.149 -31.025 -18.810 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.925 -31.948 -18.996 1.00 0.00 O ATOM 826 OD2 ASP A 57 -5.366 -30.971 -17.877 1.00 0.00 O ATOM 0 H ASP A 57 -5.717 -27.821 -21.136 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.618 -28.411 -18.318 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.181 -29.508 -19.940 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.813 -30.213 -20.778 1.00 0.00 H new ATOM 831 N GLY A 58 -3.281 -29.137 -17.967 1.00 0.00 N ATOM 832 CA GLY A 58 -1.906 -29.561 -17.728 1.00 0.00 C ATOM 833 C GLY A 58 -1.019 -28.357 -17.431 1.00 0.00 C ATOM 834 O GLY A 58 0.204 -28.470 -17.375 1.00 0.00 O ATOM 0 H GLY A 58 -3.762 -28.771 -17.145 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.875 -30.258 -16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.527 -30.093 -18.600 1.00 0.00 H new ATOM 838 N GLU A 59 -1.654 -27.207 -17.232 1.00 0.00 N ATOM 839 CA GLU A 59 -0.931 -25.977 -16.926 1.00 0.00 C ATOM 840 C GLU A 59 -1.508 -25.331 -15.674 1.00 0.00 C ATOM 841 O GLU A 59 -2.687 -25.505 -15.363 1.00 0.00 O ATOM 842 CB GLU A 59 -1.020 -25.004 -18.102 1.00 0.00 C ATOM 843 CG GLU A 59 -0.205 -25.553 -19.273 1.00 0.00 C ATOM 844 CD GLU A 59 -0.398 -24.670 -20.502 1.00 0.00 C ATOM 845 OE1 GLU A 59 0.332 -24.857 -21.461 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.272 -23.819 -20.465 1.00 0.00 O ATOM 0 H GLU A 59 -2.667 -27.100 -17.277 1.00 0.00 H new ATOM 0 HA GLU A 59 0.117 -26.222 -16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.060 -24.869 -18.399 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.642 -24.025 -17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.851 -25.592 -19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.515 -26.574 -19.496 1.00 0.00 H new ATOM 853 N TRP A 60 -0.677 -24.585 -14.953 1.00 0.00 N ATOM 854 CA TRP A 60 -1.130 -23.926 -13.737 1.00 0.00 C ATOM 855 C TRP A 60 -0.566 -22.513 -13.653 1.00 0.00 C ATOM 856 O TRP A 60 0.494 -22.223 -14.206 1.00 0.00 O ATOM 857 CB TRP A 60 -0.696 -24.723 -12.505 1.00 0.00 C ATOM 858 CG TRP A 60 -1.086 -26.158 -12.669 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.222 -27.194 -12.698 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.417 -26.731 -12.839 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.932 -28.368 -12.867 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.288 -28.136 -12.960 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.708 -26.178 -12.898 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.400 -28.960 -13.133 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.829 -27.005 -13.072 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.675 -28.394 -13.190 1.00 0.00 C ATOM 0 H TRP A 60 0.303 -24.424 -15.187 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.218 -23.874 -13.765 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.383 -24.643 -12.369 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.161 -24.310 -11.610 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.851 -27.118 -12.604 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.505 -29.293 -12.917 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.838 -25.110 -12.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.276 -30.029 -13.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.816 -26.569 -13.115 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.541 -29.025 -13.325 1.00 0.00 H new ATOM 877 N LEU A 61 -1.281 -21.645 -12.955 1.00 0.00 N ATOM 878 CA LEU A 61 -0.843 -20.267 -12.793 1.00 0.00 C ATOM 879 C LEU A 61 -0.177 -20.103 -11.431 1.00 0.00 C ATOM 880 O LEU A 61 -0.631 -20.682 -10.445 1.00 0.00 O ATOM 881 CB LEU A 61 -2.040 -19.322 -12.914 1.00 0.00 C ATOM 882 CG LEU A 61 -1.558 -17.878 -12.822 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.572 -17.606 -13.961 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.757 -16.934 -12.950 1.00 0.00 C ATOM 0 H LEU A 61 -2.163 -21.868 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.124 -20.020 -13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.552 -19.486 -13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.761 -19.527 -12.123 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.067 -17.713 -11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.223 -16.575 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.278 -18.282 -13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.068 -17.766 -14.918 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.415 -15.901 -12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.245 -17.094 -13.911 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.465 -17.134 -12.146 1.00 0.00 H new ATOM 896 N ASN A 62 0.899 -19.320 -11.370 1.00 0.00 N ATOM 897 CA ASN A 62 1.597 -19.114 -10.106 1.00 0.00 C ATOM 898 C ASN A 62 1.387 -17.686 -9.611 1.00 0.00 C ATOM 899 O ASN A 62 1.608 -16.727 -10.350 1.00 0.00 O ATOM 900 CB ASN A 62 3.092 -19.381 -10.289 1.00 0.00 C ATOM 901 CG ASN A 62 3.690 -19.989 -9.021 1.00 0.00 C ATOM 902 OD1 ASN A 62 3.009 -19.974 -7.905 1.00 0.00 O flip ATOM 903 ND2 ASN A 62 4.814 -20.490 -9.045 1.00 0.00 N flip ATOM 0 H ASN A 62 1.300 -18.826 -12.167 1.00 0.00 H new ATOM 0 HA ASN A 62 1.194 -19.806 -9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.246 -20.057 -11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.606 -18.451 -10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.348 -20.503 -9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.211 -20.892 -8.196 1.00 0.00 H new ATOM 910 N VAL A 63 0.962 -17.552 -8.359 1.00 0.00 N ATOM 911 CA VAL A 63 0.727 -16.234 -7.780 1.00 0.00 C ATOM 912 C VAL A 63 1.682 -15.989 -6.617 1.00 0.00 C ATOM 913 O VAL A 63 1.774 -16.801 -5.698 1.00 0.00 O ATOM 914 CB VAL A 63 -0.718 -16.129 -7.291 1.00 0.00 C ATOM 915 CG1 VAL A 63 -0.943 -14.757 -6.652 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.670 -16.300 -8.476 1.00 0.00 C ATOM 0 H VAL A 63 0.774 -18.333 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 63 0.903 -15.480 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.909 -16.909 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.973 -14.682 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.265 -14.633 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.752 -13.977 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.700 -16.225 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.478 -15.520 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.511 -17.277 -8.932 1.00 0.00 H new ATOM 926 N SER A 64 2.390 -14.865 -6.661 1.00 0.00 N ATOM 927 CA SER A 64 3.336 -14.519 -5.607 1.00 0.00 C ATOM 928 C SER A 64 3.209 -13.037 -5.260 1.00 0.00 C ATOM 929 O SER A 64 2.495 -12.295 -5.933 1.00 0.00 O ATOM 930 CB SER A 64 4.763 -14.822 -6.062 1.00 0.00 C ATOM 931 OG SER A 64 4.882 -16.210 -6.342 1.00 0.00 O ATOM 0 H SER A 64 2.327 -14.180 -7.414 1.00 0.00 H new ATOM 0 HA SER A 64 3.111 -15.115 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.006 -14.238 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.473 -14.533 -5.287 1.00 0.00 H new ATOM 0 HG SER A 64 5.796 -16.407 -6.636 1.00 0.00 H new ATOM 937 N HIS A 65 3.905 -12.611 -4.212 1.00 0.00 N ATOM 938 CA HIS A 65 3.855 -11.214 -3.797 1.00 0.00 C ATOM 939 C HIS A 65 5.222 -10.761 -3.299 1.00 0.00 C ATOM 940 O HIS A 65 6.067 -11.584 -2.947 1.00 0.00 O ATOM 941 CB HIS A 65 2.821 -11.037 -2.683 1.00 0.00 C ATOM 942 CG HIS A 65 3.306 -11.729 -1.439 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.886 -11.250 -0.291 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 3.221 -13.102 -1.277 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 4.158 -12.307 0.571 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 3.738 -13.401 -0.071 1.00 0.00 N flip ATOM 0 H HIS A 65 4.504 -13.205 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 65 3.570 -10.606 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.661 -9.977 -2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.862 -11.451 -2.993 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.814 -13.805 -1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.612 -12.255 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.801 -14.346 0.307 1.00 0.00 H new ATOM 954 N GLU A 66 5.438 -9.449 -3.271 1.00 0.00 N ATOM 955 CA GLU A 66 6.709 -8.901 -2.816 1.00 0.00 C ATOM 956 C GLU A 66 6.469 -7.762 -1.832 1.00 0.00 C ATOM 957 O GLU A 66 5.591 -6.927 -2.040 1.00 0.00 O ATOM 958 CB GLU A 66 7.512 -8.386 -4.012 1.00 0.00 C ATOM 959 CG GLU A 66 8.854 -7.835 -3.525 1.00 0.00 C ATOM 960 CD GLU A 66 9.686 -7.363 -4.712 1.00 0.00 C ATOM 961 OE1 GLU A 66 9.206 -7.477 -5.829 1.00 0.00 O ATOM 962 OE2 GLU A 66 10.788 -6.892 -4.488 1.00 0.00 O ATOM 0 H GLU A 66 4.752 -8.750 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 66 7.272 -9.690 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.676 -9.191 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.953 -7.607 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.688 -7.008 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.395 -8.605 -2.975 1.00 0.00 H new ATOM 969 N ALA A 67 7.252 -7.733 -0.759 1.00 0.00 N ATOM 970 CA ALA A 67 7.109 -6.685 0.246 1.00 0.00 C ATOM 971 C ALA A 67 7.305 -5.308 -0.382 1.00 0.00 C ATOM 972 O ALA A 67 7.005 -5.166 -1.555 1.00 0.00 O ATOM 973 CB ALA A 67 8.134 -6.890 1.363 1.00 0.00 C ATOM 0 H ALA A 67 7.985 -8.415 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 67 6.103 -6.741 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.021 -6.104 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.972 -7.861 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.140 -6.852 0.945 1.00 0.00 H new TER 979 ALA A 67