USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot -120:sc= 0.107 USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.245 K(o=0.23,f=-3.1!) USER MOD Set 2.2: A 60 ASN : amide:sc= -0.012 K(o=0.23,f=-1.1) USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -4! C(o=-10!,f=-2.8!) USER MOD Set 3.2: A 45 THR OG1 : rot 96:sc= 1.24 USER MOD Set 4.1: A 29 CYS SG : rot 165:sc= -0.345 USER MOD Set 4.2: A 79 CYS SG : rot 108:sc= 1.64 USER MOD Set 5.1: A 24 MET CE :methyl 151:sc= -0.0297 (180deg=0) USER MOD Set 5.2: A 65 ASN : amide:sc= -1.82 K(o=-1.8,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.856 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.255 K(o=-0.26,f=-1.8) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -122:sc= 1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -6.65! C(o=-8.6!,f=-6.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 104:sc= -0.44 USER MOD Single : A 77 TYR OH : rot -22:sc= 0.777 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 167:sc= -4.36 (180deg=-5.16!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0675 K(o=-0.068,f=-6.1!) USER MOD Single : A 87 ASN : amide:sc= -3.05! C(o=-3.1!,f=-7!) USER MOD Single : A 88 SER OG : rot -90:sc= 0.43 USER MOD Single : A 89 ASN : amide:sc= -0.891 K(o=-0.89,f=-2.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.63! C(o=-2.6!,f=-11!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.971 19.850 -6.125 1.00 0.00 N ATOM 2 CA GLY A 1 20.351 18.591 -5.759 1.00 0.00 C ATOM 3 C GLY A 1 19.081 18.783 -4.953 1.00 0.00 C ATOM 4 O GLY A 1 19.124 19.248 -3.815 1.00 0.00 O ATOM 0 H1 GLY A 1 21.835 19.665 -6.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.308 20.409 -6.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.215 20.380 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.122 18.026 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.058 17.996 -5.181 1.00 0.00 H new ATOM 8 N SER A 2 17.946 18.426 -5.547 1.00 0.00 N ATOM 9 CA SER A 2 16.657 18.566 -4.879 1.00 0.00 C ATOM 10 C SER A 2 16.301 17.296 -4.113 1.00 0.00 C ATOM 11 O SER A 2 15.958 17.346 -2.931 1.00 0.00 O ATOM 12 CB SER A 2 15.563 18.884 -5.899 1.00 0.00 C ATOM 13 OG SER A 2 14.277 18.812 -5.308 1.00 0.00 O ATOM 0 H SER A 2 17.893 18.038 -6.489 1.00 0.00 H new ATOM 0 HA SER A 2 16.731 19.389 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.723 19.881 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.623 18.183 -6.732 1.00 0.00 H new ATOM 0 HG SER A 2 13.596 19.021 -5.981 1.00 0.00 H new ATOM 19 N SER A 3 16.384 16.158 -4.795 1.00 0.00 N ATOM 20 CA SER A 3 16.067 14.874 -4.181 1.00 0.00 C ATOM 21 C SER A 3 17.234 14.372 -3.336 1.00 0.00 C ATOM 22 O SER A 3 18.393 14.468 -3.740 1.00 0.00 O ATOM 23 CB SER A 3 15.719 13.843 -5.256 1.00 0.00 C ATOM 24 OG SER A 3 16.881 13.411 -5.942 1.00 0.00 O ATOM 0 H SER A 3 16.668 16.099 -5.773 1.00 0.00 H new ATOM 0 HA SER A 3 15.204 15.014 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.224 12.987 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.014 14.276 -5.965 1.00 0.00 H new ATOM 0 HG SER A 3 16.633 12.751 -6.623 1.00 0.00 H new ATOM 30 N GLY A 4 16.920 13.837 -2.161 1.00 0.00 N ATOM 31 CA GLY A 4 17.952 13.327 -1.277 1.00 0.00 C ATOM 32 C GLY A 4 17.904 11.819 -1.139 1.00 0.00 C ATOM 33 O GLY A 4 18.018 11.286 -0.035 1.00 0.00 O ATOM 0 H GLY A 4 15.968 13.747 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.930 13.623 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.841 13.782 -0.293 1.00 0.00 H new ATOM 37 N SER A 5 17.734 11.128 -2.262 1.00 0.00 N ATOM 38 CA SER A 5 17.666 9.671 -2.260 1.00 0.00 C ATOM 39 C SER A 5 18.459 9.089 -3.426 1.00 0.00 C ATOM 40 O SER A 5 18.133 9.319 -4.590 1.00 0.00 O ATOM 41 CB SER A 5 16.210 9.208 -2.337 1.00 0.00 C ATOM 42 OG SER A 5 15.643 9.515 -3.600 1.00 0.00 O ATOM 0 H SER A 5 17.641 11.553 -3.184 1.00 0.00 H new ATOM 0 HA SER A 5 18.105 9.312 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.157 8.133 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.630 9.688 -1.548 1.00 0.00 H new ATOM 0 HG SER A 5 16.354 9.579 -4.271 1.00 0.00 H new ATOM 48 N SER A 6 19.504 8.333 -3.103 1.00 0.00 N ATOM 49 CA SER A 6 20.348 7.720 -4.122 1.00 0.00 C ATOM 50 C SER A 6 19.502 6.982 -5.156 1.00 0.00 C ATOM 51 O SER A 6 19.658 7.182 -6.359 1.00 0.00 O ATOM 52 CB SER A 6 21.343 6.754 -3.477 1.00 0.00 C ATOM 53 OG SER A 6 22.443 7.453 -2.919 1.00 0.00 O ATOM 0 H SER A 6 19.786 8.131 -2.144 1.00 0.00 H new ATOM 0 HA SER A 6 20.899 8.513 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.843 6.177 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.700 6.043 -4.222 1.00 0.00 H new ATOM 0 HG SER A 6 23.064 6.814 -2.511 1.00 0.00 H new ATOM 59 N GLY A 7 18.605 6.126 -4.675 1.00 0.00 N ATOM 60 CA GLY A 7 17.748 5.370 -5.569 1.00 0.00 C ATOM 61 C GLY A 7 17.573 3.931 -5.125 1.00 0.00 C ATOM 62 O GLY A 7 18.345 3.047 -5.495 1.00 0.00 O ATOM 0 H GLY A 7 18.457 5.943 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.772 5.851 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.170 5.388 -6.574 1.00 0.00 H new ATOM 66 N PRO A 8 16.536 3.681 -4.311 1.00 0.00 N ATOM 67 CA PRO A 8 16.239 2.340 -3.798 1.00 0.00 C ATOM 68 C PRO A 8 15.736 1.400 -4.889 1.00 0.00 C ATOM 69 O PRO A 8 15.657 1.776 -6.058 1.00 0.00 O ATOM 70 CB PRO A 8 15.141 2.593 -2.762 1.00 0.00 C ATOM 71 CG PRO A 8 14.489 3.858 -3.201 1.00 0.00 C ATOM 72 CD PRO A 8 15.575 4.687 -3.830 1.00 0.00 C ATOM 0 HA PRO A 8 17.125 1.853 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.427 1.770 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.558 2.690 -1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.689 3.658 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.040 4.379 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.192 5.299 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.031 5.366 -3.109 1.00 0.00 H new ATOM 80 N PHE A 9 15.397 0.176 -4.498 1.00 0.00 N ATOM 81 CA PHE A 9 14.902 -0.818 -5.443 1.00 0.00 C ATOM 82 C PHE A 9 13.388 -0.710 -5.603 1.00 0.00 C ATOM 83 O PHE A 9 12.688 -1.721 -5.681 1.00 0.00 O ATOM 84 CB PHE A 9 15.278 -2.226 -4.978 1.00 0.00 C ATOM 85 CG PHE A 9 16.686 -2.617 -5.328 1.00 0.00 C ATOM 86 CD1 PHE A 9 16.991 -3.102 -6.589 1.00 0.00 C ATOM 87 CD2 PHE A 9 17.703 -2.499 -4.395 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.285 -3.463 -6.914 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.999 -2.858 -4.715 1.00 0.00 C ATOM 90 CZ PHE A 9 19.290 -3.341 -5.976 1.00 0.00 C ATOM 0 H PHE A 9 15.456 -0.151 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 9 15.366 -0.626 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 9 15.150 -2.290 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.589 -2.943 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.209 -3.199 -7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 9 17.481 -2.123 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 9 18.509 -3.840 -7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 9 19.784 -2.761 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.302 -3.623 -6.227 1.00 0.00 H new ATOM 100 N ILE A 10 12.890 0.521 -5.650 1.00 0.00 N ATOM 101 CA ILE A 10 11.461 0.761 -5.801 1.00 0.00 C ATOM 102 C ILE A 10 11.159 1.480 -7.111 1.00 0.00 C ATOM 103 O ILE A 10 11.027 2.703 -7.143 1.00 0.00 O ATOM 104 CB ILE A 10 10.903 1.593 -4.631 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.369 1.011 -3.295 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.384 1.641 -4.692 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.569 -0.192 -2.847 1.00 0.00 C ATOM 0 H ILE A 10 13.455 1.367 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 10 10.976 -0.215 -5.806 1.00 0.00 H new ATOM 0 HB ILE A 10 11.283 2.611 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.419 0.729 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.306 1.784 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.005 2.233 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.072 2.096 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.985 0.629 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.955 -0.551 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.522 0.089 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.652 -0.983 -3.593 1.00 0.00 H new ATOM 119 N MET A 11 11.050 0.712 -8.190 1.00 0.00 N ATOM 120 CA MET A 11 10.761 1.277 -9.503 1.00 0.00 C ATOM 121 C MET A 11 9.757 2.420 -9.394 1.00 0.00 C ATOM 122 O MET A 11 9.942 3.480 -9.993 1.00 0.00 O ATOM 123 CB MET A 11 10.219 0.195 -10.439 1.00 0.00 C ATOM 124 CG MET A 11 11.191 -0.952 -10.669 1.00 0.00 C ATOM 125 SD MET A 11 12.422 -0.577 -11.932 1.00 0.00 S ATOM 126 CE MET A 11 12.920 -2.226 -12.420 1.00 0.00 C ATOM 0 H MET A 11 11.157 -0.302 -8.181 1.00 0.00 H new ATOM 0 HA MET A 11 11.690 1.671 -9.914 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.293 -0.202 -10.024 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.970 0.648 -11.399 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.697 -1.188 -9.733 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.634 -1.842 -10.963 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.681 -2.161 -13.198 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.328 -2.753 -11.557 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.056 -2.769 -12.802 1.00 0.00 H new ATOM 136 N ASP A 12 8.696 2.198 -8.627 1.00 0.00 N ATOM 137 CA ASP A 12 7.663 3.211 -8.439 1.00 0.00 C ATOM 138 C ASP A 12 7.135 3.190 -7.008 1.00 0.00 C ATOM 139 O ASP A 12 6.447 2.253 -6.604 1.00 0.00 O ATOM 140 CB ASP A 12 6.514 2.986 -9.423 1.00 0.00 C ATOM 141 CG ASP A 12 7.001 2.758 -10.840 1.00 0.00 C ATOM 142 OD1 ASP A 12 7.615 1.700 -11.094 1.00 0.00 O ATOM 143 OD2 ASP A 12 6.768 3.636 -11.697 1.00 0.00 O ATOM 0 H ASP A 12 8.528 1.326 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 12 8.108 4.188 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.927 2.126 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.850 3.850 -9.405 1.00 0.00 H new ATOM 148 N ALA A 13 7.464 4.228 -6.246 1.00 0.00 N ATOM 149 CA ALA A 13 7.022 4.329 -4.861 1.00 0.00 C ATOM 150 C ALA A 13 5.642 4.972 -4.770 1.00 0.00 C ATOM 151 O ALA A 13 5.279 5.835 -5.569 1.00 0.00 O ATOM 152 CB ALA A 13 8.030 5.121 -4.042 1.00 0.00 C ATOM 0 H ALA A 13 8.035 5.011 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 13 6.951 3.320 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.687 5.189 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.997 4.619 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.129 6.124 -4.458 1.00 0.00 H new ATOM 158 N PRO A 14 4.853 4.543 -3.774 1.00 0.00 N ATOM 159 CA PRO A 14 3.500 5.064 -3.555 1.00 0.00 C ATOM 160 C PRO A 14 3.507 6.506 -3.060 1.00 0.00 C ATOM 161 O PRO A 14 4.505 6.981 -2.517 1.00 0.00 O ATOM 162 CB PRO A 14 2.931 4.132 -2.482 1.00 0.00 C ATOM 163 CG PRO A 14 4.125 3.613 -1.759 1.00 0.00 C ATOM 164 CD PRO A 14 5.221 3.517 -2.784 1.00 0.00 C ATOM 0 HA PRO A 14 2.916 5.083 -4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.262 4.666 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.354 3.321 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.409 4.280 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.919 2.639 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.199 3.714 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.266 2.524 -3.232 1.00 0.00 H new ATOM 172 N ARG A 15 2.388 7.197 -3.250 1.00 0.00 N ATOM 173 CA ARG A 15 2.267 8.586 -2.823 1.00 0.00 C ATOM 174 C ARG A 15 0.940 8.820 -2.108 1.00 0.00 C ATOM 175 O ARG A 15 -0.069 8.192 -2.428 1.00 0.00 O ATOM 176 CB ARG A 15 2.382 9.524 -4.026 1.00 0.00 C ATOM 177 CG ARG A 15 2.816 10.934 -3.660 1.00 0.00 C ATOM 178 CD ARG A 15 3.550 11.607 -4.809 1.00 0.00 C ATOM 179 NE ARG A 15 3.483 13.063 -4.723 1.00 0.00 N ATOM 180 CZ ARG A 15 4.187 13.879 -5.500 1.00 0.00 C ATOM 181 NH1 ARG A 15 5.006 13.383 -6.417 1.00 0.00 N ATOM 182 NH2 ARG A 15 4.072 15.193 -5.361 1.00 0.00 N ATOM 0 H ARG A 15 1.553 6.818 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 15 3.079 8.798 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.096 9.106 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.419 9.570 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.942 11.526 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.463 10.901 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.593 11.291 -4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.120 11.280 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 15 2.861 13.477 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.097 12.373 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.545 14.011 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.443 15.578 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.613 15.818 -5.958 1.00 0.00 H new ATOM 196 N ASP A 16 0.949 9.728 -1.137 1.00 0.00 N ATOM 197 CA ASP A 16 -0.254 10.046 -0.376 1.00 0.00 C ATOM 198 C ASP A 16 -1.484 10.041 -1.278 1.00 0.00 C ATOM 199 O ASP A 16 -1.402 10.377 -2.460 1.00 0.00 O ATOM 200 CB ASP A 16 -0.108 11.409 0.302 1.00 0.00 C ATOM 201 CG ASP A 16 -1.448 12.043 0.621 1.00 0.00 C ATOM 202 OD1 ASP A 16 -2.013 11.732 1.691 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.932 12.850 -0.199 1.00 0.00 O ATOM 0 H ASP A 16 1.776 10.256 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.384 9.281 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.465 11.294 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.461 12.075 -0.347 1.00 0.00 H new ATOM 208 N LEU A 17 -2.624 9.657 -0.713 1.00 0.00 N ATOM 209 CA LEU A 17 -3.872 9.607 -1.466 1.00 0.00 C ATOM 210 C LEU A 17 -5.047 10.056 -0.602 1.00 0.00 C ATOM 211 O LEU A 17 -5.083 9.792 0.599 1.00 0.00 O ATOM 212 CB LEU A 17 -4.120 8.191 -1.988 1.00 0.00 C ATOM 213 CG LEU A 17 -5.511 7.921 -2.562 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.603 8.420 -3.996 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.839 6.436 -2.490 1.00 0.00 C ATOM 0 H LEU A 17 -2.709 9.376 0.264 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.785 10.289 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.382 7.976 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.943 7.489 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.242 8.464 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.600 8.219 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.413 9.493 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.862 7.906 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.833 6.262 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.104 5.873 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.816 6.108 -1.451 1.00 0.00 H new ATOM 227 N ASN A 18 -6.007 10.733 -1.223 1.00 0.00 N ATOM 228 CA ASN A 18 -7.185 11.217 -0.512 1.00 0.00 C ATOM 229 C ASN A 18 -8.452 10.558 -1.047 1.00 0.00 C ATOM 230 O ASN A 18 -8.882 10.834 -2.167 1.00 0.00 O ATOM 231 CB ASN A 18 -7.294 12.737 -0.639 1.00 0.00 C ATOM 232 CG ASN A 18 -7.278 13.199 -2.084 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.271 13.065 -2.779 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.397 13.748 -2.542 1.00 0.00 N ATOM 0 H ASN A 18 -5.993 10.959 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.077 10.954 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.215 13.074 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.468 13.204 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.446 14.079 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.208 13.839 -1.930 1.00 0.00 H new ATOM 241 N ILE A 19 -9.045 9.685 -0.239 1.00 0.00 N ATOM 242 CA ILE A 19 -10.264 8.988 -0.630 1.00 0.00 C ATOM 243 C ILE A 19 -11.334 9.104 0.450 1.00 0.00 C ATOM 244 O ILE A 19 -11.037 9.423 1.601 1.00 0.00 O ATOM 245 CB ILE A 19 -9.995 7.499 -0.913 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.238 6.838 -1.512 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.572 6.785 0.362 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.928 5.622 -2.356 1.00 0.00 C ATOM 0 H ILE A 19 -8.701 9.444 0.690 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.620 9.464 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.182 7.423 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.910 6.548 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.769 7.568 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.386 5.733 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.662 7.242 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.365 6.867 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.856 5.205 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.281 5.910 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.424 4.874 -1.745 1.00 0.00 H new ATOM 260 N SER A 20 -12.581 8.840 0.072 1.00 0.00 N ATOM 261 CA SER A 20 -13.696 8.915 1.008 1.00 0.00 C ATOM 262 C SER A 20 -13.957 7.558 1.652 1.00 0.00 C ATOM 263 O SER A 20 -13.552 6.521 1.127 1.00 0.00 O ATOM 264 CB SER A 20 -14.957 9.404 0.292 1.00 0.00 C ATOM 265 OG SER A 20 -14.875 10.789 0.003 1.00 0.00 O ATOM 0 H SER A 20 -12.844 8.572 -0.876 1.00 0.00 H new ATOM 0 HA SER A 20 -13.433 9.625 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.094 8.844 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.831 9.210 0.914 1.00 0.00 H new ATOM 0 HG SER A 20 -15.692 11.076 -0.456 1.00 0.00 H new ATOM 271 N GLU A 21 -14.637 7.573 2.795 1.00 0.00 N ATOM 272 CA GLU A 21 -14.952 6.343 3.512 1.00 0.00 C ATOM 273 C GLU A 21 -15.976 5.512 2.744 1.00 0.00 C ATOM 274 O GLU A 21 -17.086 5.969 2.474 1.00 0.00 O ATOM 275 CB GLU A 21 -15.485 6.664 4.910 1.00 0.00 C ATOM 276 CG GLU A 21 -16.045 5.455 5.640 1.00 0.00 C ATOM 277 CD GLU A 21 -17.081 5.831 6.682 1.00 0.00 C ATOM 278 OE1 GLU A 21 -16.860 6.823 7.408 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.113 5.134 6.770 1.00 0.00 O ATOM 0 H GLU A 21 -14.980 8.423 3.243 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.035 5.762 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.681 7.097 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.265 7.421 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.493 4.774 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.229 4.916 6.122 1.00 0.00 H new ATOM 286 N GLY A 22 -15.594 4.288 2.395 1.00 0.00 N ATOM 287 CA GLY A 22 -16.489 3.412 1.661 1.00 0.00 C ATOM 288 C GLY A 22 -16.263 3.476 0.163 1.00 0.00 C ATOM 289 O GLY A 22 -17.210 3.387 -0.618 1.00 0.00 O ATOM 0 H GLY A 22 -14.681 3.887 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.350 2.386 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.521 3.684 1.882 1.00 0.00 H new ATOM 293 N ARG A 23 -15.006 3.630 -0.238 1.00 0.00 N ATOM 294 CA ARG A 23 -14.659 3.709 -1.652 1.00 0.00 C ATOM 295 C ARG A 23 -13.457 2.823 -1.966 1.00 0.00 C ATOM 296 O ARG A 23 -12.783 2.331 -1.062 1.00 0.00 O ATOM 297 CB ARG A 23 -14.357 5.156 -2.045 1.00 0.00 C ATOM 298 CG ARG A 23 -15.535 6.097 -1.856 1.00 0.00 C ATOM 299 CD ARG A 23 -15.447 7.295 -2.789 1.00 0.00 C ATOM 300 NE ARG A 23 -16.437 8.317 -2.462 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.386 9.563 -2.919 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.398 9.939 -3.720 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.325 10.436 -2.577 1.00 0.00 N ATOM 0 H ARG A 23 -14.210 3.703 0.396 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.512 3.354 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.516 5.517 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.046 5.183 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.465 5.559 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.565 6.441 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.448 7.727 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.593 6.965 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.210 8.060 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.675 9.271 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.361 10.897 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.087 10.150 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.284 11.393 -2.929 1.00 0.00 H new ATOM 317 N MET A 24 -13.195 2.625 -3.254 1.00 0.00 N ATOM 318 CA MET A 24 -12.074 1.800 -3.688 1.00 0.00 C ATOM 319 C MET A 24 -10.801 2.632 -3.809 1.00 0.00 C ATOM 320 O MET A 24 -10.781 3.658 -4.487 1.00 0.00 O ATOM 321 CB MET A 24 -12.391 1.134 -5.028 1.00 0.00 C ATOM 322 CG MET A 24 -11.701 -0.207 -5.220 1.00 0.00 C ATOM 323 SD MET A 24 -12.478 -1.211 -6.499 1.00 0.00 S ATOM 324 CE MET A 24 -12.032 -2.858 -5.954 1.00 0.00 C ATOM 0 H MET A 24 -13.744 3.025 -4.015 1.00 0.00 H new ATOM 0 HA MET A 24 -11.912 1.028 -2.936 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.469 0.993 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.096 1.804 -5.836 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.656 -0.039 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.711 -0.755 -4.278 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.796 -3.566 -6.274 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.073 -3.138 -6.389 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.956 -2.873 -4.867 1.00 0.00 H new ATOM 334 N ALA A 25 -9.741 2.182 -3.145 1.00 0.00 N ATOM 335 CA ALA A 25 -8.464 2.885 -3.180 1.00 0.00 C ATOM 336 C ALA A 25 -7.321 1.929 -3.507 1.00 0.00 C ATOM 337 O ALA A 25 -7.388 0.740 -3.200 1.00 0.00 O ATOM 338 CB ALA A 25 -8.209 3.582 -1.852 1.00 0.00 C ATOM 0 H ALA A 25 -9.741 1.335 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.511 3.636 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.252 4.103 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.006 4.301 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.186 2.843 -1.051 1.00 0.00 H new ATOM 344 N GLU A 26 -6.273 2.459 -4.131 1.00 0.00 N ATOM 345 CA GLU A 26 -5.116 1.651 -4.500 1.00 0.00 C ATOM 346 C GLU A 26 -3.825 2.451 -4.352 1.00 0.00 C ATOM 347 O GLU A 26 -3.798 3.658 -4.595 1.00 0.00 O ATOM 348 CB GLU A 26 -5.256 1.148 -5.938 1.00 0.00 C ATOM 349 CG GLU A 26 -6.483 0.281 -6.163 1.00 0.00 C ATOM 350 CD GLU A 26 -6.415 -0.501 -7.460 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.700 0.088 -8.524 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.077 -1.702 -7.411 1.00 0.00 O ATOM 0 H GLU A 26 -6.201 3.443 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.072 0.795 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.298 2.004 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.365 0.578 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.590 -0.413 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.372 0.911 -6.169 1.00 0.00 H new ATOM 359 N LEU A 27 -2.757 1.770 -3.952 1.00 0.00 N ATOM 360 CA LEU A 27 -1.462 2.416 -3.771 1.00 0.00 C ATOM 361 C LEU A 27 -0.496 2.022 -4.884 1.00 0.00 C ATOM 362 O LEU A 27 -0.129 0.854 -5.017 1.00 0.00 O ATOM 363 CB LEU A 27 -0.869 2.043 -2.411 1.00 0.00 C ATOM 364 CG LEU A 27 -1.453 2.774 -1.201 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.103 2.042 0.085 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.952 4.210 -1.152 1.00 0.00 C ATOM 0 H LEU A 27 -2.762 0.771 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.614 3.495 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.001 0.971 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.204 2.231 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.538 2.792 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.527 2.577 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.511 1.032 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.019 1.992 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.378 4.715 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.135 4.214 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.254 4.732 -2.060 1.00 0.00 H new ATOM 378 N LYS A 28 -0.087 3.004 -5.680 1.00 0.00 N ATOM 379 CA LYS A 28 0.839 2.761 -6.781 1.00 0.00 C ATOM 380 C LYS A 28 2.204 2.329 -6.257 1.00 0.00 C ATOM 381 O LYS A 28 2.936 3.127 -5.670 1.00 0.00 O ATOM 382 CB LYS A 28 0.985 4.021 -7.638 1.00 0.00 C ATOM 383 CG LYS A 28 -0.212 4.289 -8.534 1.00 0.00 C ATOM 384 CD LYS A 28 -0.343 3.234 -9.620 1.00 0.00 C ATOM 385 CE LYS A 28 -1.166 3.742 -10.794 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.378 2.685 -11.821 1.00 0.00 N ATOM 0 H LYS A 28 -0.382 3.976 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 28 0.433 1.956 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.138 4.879 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.878 3.928 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.121 4.308 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.112 5.273 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.648 2.943 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.810 2.340 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.131 4.097 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.662 4.595 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.943 3.071 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.458 2.363 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.882 1.882 -11.394 1.00 0.00 H new ATOM 400 N CYS A 29 2.542 1.062 -6.474 1.00 0.00 N ATOM 401 CA CYS A 29 3.821 0.524 -6.024 1.00 0.00 C ATOM 402 C CYS A 29 4.330 -0.544 -6.987 1.00 0.00 C ATOM 403 O CYS A 29 3.631 -1.514 -7.279 1.00 0.00 O ATOM 404 CB CYS A 29 3.685 -0.063 -4.619 1.00 0.00 C ATOM 405 SG CYS A 29 4.976 -1.252 -4.187 1.00 0.00 S ATOM 0 H CYS A 29 1.948 0.389 -6.959 1.00 0.00 H new ATOM 0 HA CYS A 29 4.543 1.341 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.698 0.751 -3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.714 -0.550 -4.533 1.00 0.00 H new ATOM 0 HG CYS A 29 4.971 -1.450 -2.902 1.00 0.00 H new ATOM 411 N ARG A 30 5.551 -0.357 -7.478 1.00 0.00 N ATOM 412 CA ARG A 30 6.152 -1.303 -8.410 1.00 0.00 C ATOM 413 C ARG A 30 7.387 -1.959 -7.799 1.00 0.00 C ATOM 414 O ARG A 30 8.323 -1.277 -7.380 1.00 0.00 O ATOM 415 CB ARG A 30 6.530 -0.597 -9.714 1.00 0.00 C ATOM 416 CG ARG A 30 5.378 -0.480 -10.699 1.00 0.00 C ATOM 417 CD ARG A 30 4.478 0.699 -10.366 1.00 0.00 C ATOM 418 NE ARG A 30 3.125 0.518 -10.886 1.00 0.00 N ATOM 419 CZ ARG A 30 2.801 0.677 -12.164 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.728 1.016 -13.049 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.548 0.494 -12.560 1.00 0.00 N ATOM 0 H ARG A 30 6.143 0.441 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 30 5.417 -2.079 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.902 0.401 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.348 -1.140 -10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.772 -0.365 -11.709 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.793 -1.400 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.436 0.829 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.907 1.611 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 30 2.388 0.255 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.693 1.155 -12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.476 1.137 -14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.832 0.231 -11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.300 0.616 -13.542 1.00 0.00 H new ATOM 435 N THR A 31 7.381 -3.287 -7.749 1.00 0.00 N ATOM 436 CA THR A 31 8.499 -4.036 -7.187 1.00 0.00 C ATOM 437 C THR A 31 9.160 -4.913 -8.244 1.00 0.00 C ATOM 438 O THR A 31 8.505 -5.451 -9.137 1.00 0.00 O ATOM 439 CB THR A 31 8.047 -4.922 -6.011 1.00 0.00 C ATOM 440 OG1 THR A 31 6.882 -5.669 -6.379 1.00 0.00 O ATOM 441 CG2 THR A 31 7.746 -4.077 -4.782 1.00 0.00 C ATOM 0 H THR A 31 6.614 -3.867 -8.091 1.00 0.00 H new ATOM 0 HA THR A 31 9.220 -3.303 -6.824 1.00 0.00 H new ATOM 0 HB THR A 31 8.858 -5.610 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.873 -6.520 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.429 -4.724 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.643 -3.532 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.951 -3.368 -5.013 1.00 0.00 H new ATOM 449 N PRO A 32 10.489 -5.061 -8.144 1.00 0.00 N ATOM 450 CA PRO A 32 11.268 -5.874 -9.083 1.00 0.00 C ATOM 451 C PRO A 32 10.991 -7.365 -8.927 1.00 0.00 C ATOM 452 O PRO A 32 10.338 -7.804 -7.981 1.00 0.00 O ATOM 453 CB PRO A 32 12.718 -5.557 -8.708 1.00 0.00 C ATOM 454 CG PRO A 32 12.658 -5.141 -7.279 1.00 0.00 C ATOM 455 CD PRO A 32 11.334 -4.448 -7.105 1.00 0.00 C ATOM 0 HA PRO A 32 11.022 -5.647 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.360 -6.428 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.124 -4.763 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.737 -6.004 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.483 -4.473 -7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.924 -4.608 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.423 -3.371 -7.243 1.00 0.00 H new ATOM 463 N PRO A 33 11.499 -8.165 -9.877 1.00 0.00 N ATOM 464 CA PRO A 33 11.320 -9.619 -9.866 1.00 0.00 C ATOM 465 C PRO A 33 12.103 -10.292 -8.744 1.00 0.00 C ATOM 466 O PRO A 33 13.156 -9.807 -8.333 1.00 0.00 O ATOM 467 CB PRO A 33 11.861 -10.054 -11.231 1.00 0.00 C ATOM 468 CG PRO A 33 12.831 -8.988 -11.610 1.00 0.00 C ATOM 469 CD PRO A 33 12.288 -7.710 -11.034 1.00 0.00 C ATOM 0 HA PRO A 33 10.281 -9.900 -9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.346 -11.028 -11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.060 -10.140 -11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.823 -9.204 -11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.929 -8.917 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.088 -7.033 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.671 -7.174 -11.755 1.00 0.00 H new ATOM 477 N MET A 34 11.580 -11.411 -8.253 1.00 0.00 N ATOM 478 CA MET A 34 12.232 -12.151 -7.178 1.00 0.00 C ATOM 479 C MET A 34 12.288 -11.318 -5.901 1.00 0.00 C ATOM 480 O MET A 34 13.272 -11.363 -5.162 1.00 0.00 O ATOM 481 CB MET A 34 13.646 -12.559 -7.597 1.00 0.00 C ATOM 482 CG MET A 34 13.692 -13.340 -8.900 1.00 0.00 C ATOM 483 SD MET A 34 15.150 -14.393 -9.028 1.00 0.00 S ATOM 484 CE MET A 34 14.756 -15.339 -10.497 1.00 0.00 C ATOM 0 H MET A 34 10.708 -11.825 -8.582 1.00 0.00 H new ATOM 0 HA MET A 34 11.646 -13.048 -6.980 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.259 -11.663 -7.698 1.00 0.00 H new ATOM 0 HB3 MET A 34 14.091 -13.162 -6.806 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.796 -13.955 -8.982 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.678 -12.643 -9.738 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.565 -16.038 -10.708 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.831 -15.893 -10.336 1.00 0.00 H new ATOM 0 HE3 MET A 34 14.631 -14.663 -11.343 1.00 0.00 H new ATOM 494 N SER A 35 11.227 -10.559 -5.648 1.00 0.00 N ATOM 495 CA SER A 35 11.158 -9.713 -4.462 1.00 0.00 C ATOM 496 C SER A 35 9.866 -9.964 -3.691 1.00 0.00 C ATOM 497 O SER A 35 8.820 -10.236 -4.281 1.00 0.00 O ATOM 498 CB SER A 35 11.252 -8.237 -4.856 1.00 0.00 C ATOM 499 OG SER A 35 10.062 -7.803 -5.493 1.00 0.00 O ATOM 0 H SER A 35 10.403 -10.512 -6.248 1.00 0.00 H new ATOM 0 HA SER A 35 12.000 -9.964 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.435 -7.631 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.101 -8.089 -5.524 1.00 0.00 H new ATOM 0 HG SER A 35 10.275 -7.460 -6.386 1.00 0.00 H new ATOM 505 N SER A 36 9.947 -9.870 -2.367 1.00 0.00 N ATOM 506 CA SER A 36 8.786 -10.091 -1.513 1.00 0.00 C ATOM 507 C SER A 36 8.050 -8.781 -1.247 1.00 0.00 C ATOM 508 O SER A 36 8.663 -7.772 -0.895 1.00 0.00 O ATOM 509 CB SER A 36 9.213 -10.727 -0.189 1.00 0.00 C ATOM 510 OG SER A 36 8.118 -10.832 0.704 1.00 0.00 O ATOM 0 H SER A 36 10.804 -9.642 -1.863 1.00 0.00 H new ATOM 0 HA SER A 36 8.109 -10.770 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.630 -11.717 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.002 -10.129 0.267 1.00 0.00 H new ATOM 0 HG SER A 36 8.417 -11.243 1.542 1.00 0.00 H new ATOM 516 N VAL A 37 6.732 -8.804 -1.417 1.00 0.00 N ATOM 517 CA VAL A 37 5.912 -7.619 -1.195 1.00 0.00 C ATOM 518 C VAL A 37 5.230 -7.671 0.168 1.00 0.00 C ATOM 519 O VAL A 37 4.556 -8.647 0.500 1.00 0.00 O ATOM 520 CB VAL A 37 4.838 -7.467 -2.289 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.006 -6.216 -2.049 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.483 -7.432 -3.666 1.00 0.00 C ATOM 0 H VAL A 37 6.209 -9.630 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 37 6.581 -6.759 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 37 4.174 -8.330 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.252 -6.125 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.515 -6.286 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.654 -5.340 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.710 -7.324 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.170 -6.588 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.032 -8.359 -3.835 1.00 0.00 H new ATOM 532 N LYS A 38 5.408 -6.615 0.953 1.00 0.00 N ATOM 533 CA LYS A 38 4.808 -6.537 2.280 1.00 0.00 C ATOM 534 C LYS A 38 4.253 -5.142 2.545 1.00 0.00 C ATOM 535 O LYS A 38 4.804 -4.145 2.079 1.00 0.00 O ATOM 536 CB LYS A 38 5.841 -6.899 3.350 1.00 0.00 C ATOM 537 CG LYS A 38 5.858 -8.376 3.704 1.00 0.00 C ATOM 538 CD LYS A 38 4.908 -8.686 4.849 1.00 0.00 C ATOM 539 CE LYS A 38 5.189 -10.054 5.452 1.00 0.00 C ATOM 540 NZ LYS A 38 4.537 -10.219 6.780 1.00 0.00 N ATOM 0 H LYS A 38 5.964 -5.800 0.693 1.00 0.00 H new ATOM 0 HA LYS A 38 3.984 -7.250 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.831 -6.606 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.637 -6.320 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.579 -8.964 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.870 -8.674 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.004 -7.921 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.880 -8.650 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.833 -10.830 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.265 -10.191 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.752 -11.164 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.895 -9.495 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.507 -10.114 6.677 1.00 0.00 H new ATOM 554 N TRP A 39 3.160 -5.078 3.298 1.00 0.00 N ATOM 555 CA TRP A 39 2.531 -3.804 3.626 1.00 0.00 C ATOM 556 C TRP A 39 2.216 -3.721 5.115 1.00 0.00 C ATOM 557 O TRP A 39 1.362 -4.450 5.621 1.00 0.00 O ATOM 558 CB TRP A 39 1.251 -3.618 2.810 1.00 0.00 C ATOM 559 CG TRP A 39 1.506 -3.204 1.392 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.686 -4.027 0.317 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.610 -1.865 0.896 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.896 -3.281 -0.817 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.854 -1.952 -0.489 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.520 -0.602 1.486 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.009 -0.823 -1.289 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.674 0.518 0.690 1.00 0.00 C ATOM 567 CH2 TRP A 39 1.915 0.401 -0.685 1.00 0.00 C ATOM 0 H TRP A 39 2.691 -5.894 3.693 1.00 0.00 H new ATOM 0 HA TRP A 39 3.231 -3.007 3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.688 -4.551 2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.626 -2.867 3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.666 -5.106 0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.057 -3.656 -1.752 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.333 -0.502 2.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.197 -0.910 -2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.607 1.499 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.029 1.295 -1.280 1.00 0.00 H new ATOM 578 N LEU A 40 2.909 -2.828 5.813 1.00 0.00 N ATOM 579 CA LEU A 40 2.701 -2.649 7.246 1.00 0.00 C ATOM 580 C LEU A 40 1.688 -1.541 7.516 1.00 0.00 C ATOM 581 O LEU A 40 1.800 -0.438 6.978 1.00 0.00 O ATOM 582 CB LEU A 40 4.027 -2.323 7.936 1.00 0.00 C ATOM 583 CG LEU A 40 4.070 -2.550 9.448 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.490 -2.852 9.902 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.519 -1.338 10.185 1.00 0.00 C ATOM 0 H LEU A 40 3.619 -2.217 5.410 1.00 0.00 H new ATOM 0 HA LEU A 40 2.307 -3.581 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.811 -2.925 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.269 -1.279 7.738 1.00 0.00 H new ATOM 0 HG LEU A 40 3.444 -3.410 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.501 -3.011 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.849 -3.750 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.138 -2.012 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.557 -1.517 11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.118 -0.461 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.486 -1.167 9.882 1.00 0.00 H new ATOM 597 N LEU A 41 0.702 -1.839 8.354 1.00 0.00 N ATOM 598 CA LEU A 41 -0.331 -0.868 8.697 1.00 0.00 C ATOM 599 C LEU A 41 0.124 0.026 9.847 1.00 0.00 C ATOM 600 O LEU A 41 0.935 -0.365 10.687 1.00 0.00 O ATOM 601 CB LEU A 41 -1.628 -1.585 9.076 1.00 0.00 C ATOM 602 CG LEU A 41 -2.162 -2.589 8.055 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.383 -1.916 6.709 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.208 -3.766 7.914 1.00 0.00 C ATOM 0 H LEU A 41 0.596 -2.746 8.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.512 -0.242 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.469 -2.107 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.397 -0.833 9.253 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.121 -2.965 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.763 -2.647 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.106 -1.108 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.439 -1.511 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.605 -4.470 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.234 -3.407 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.101 -4.265 8.877 1.00 0.00 H new ATOM 616 N PRO A 42 -0.411 1.256 9.888 1.00 0.00 N ATOM 617 CA PRO A 42 -0.077 2.230 10.931 1.00 0.00 C ATOM 618 C PRO A 42 -0.636 1.835 12.294 1.00 0.00 C ATOM 619 O PRO A 42 -0.497 2.571 13.269 1.00 0.00 O ATOM 620 CB PRO A 42 -0.737 3.520 10.436 1.00 0.00 C ATOM 621 CG PRO A 42 -1.855 3.063 9.565 1.00 0.00 C ATOM 622 CD PRO A 42 -1.384 1.789 8.919 1.00 0.00 C ATOM 0 HA PRO A 42 1.000 2.315 11.079 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.104 4.122 11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.031 4.139 9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.760 2.893 10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.097 3.815 8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.207 1.094 8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.924 1.976 7.949 1.00 0.00 H new ATOM 630 N ASN A 43 -1.268 0.667 12.353 1.00 0.00 N ATOM 631 CA ASN A 43 -1.848 0.174 13.597 1.00 0.00 C ATOM 632 C ASN A 43 -0.859 -0.716 14.343 1.00 0.00 C ATOM 633 O ASN A 43 -0.944 -0.872 15.560 1.00 0.00 O ATOM 634 CB ASN A 43 -3.135 -0.602 13.311 1.00 0.00 C ATOM 635 CG ASN A 43 -2.986 -1.560 12.145 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.244 -2.641 12.358 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -3.531 -1.331 11.065 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.391 0.045 11.554 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.082 1.033 14.226 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.425 -1.160 14.201 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.940 0.101 13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.092 -0.488 10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.421 -1.985 10.290 1.00 0.00 H new ATOM 644 N GLY A 44 0.080 -1.297 13.603 1.00 0.00 N ATOM 645 CA GLY A 44 1.073 -2.164 14.212 1.00 0.00 C ATOM 646 C GLY A 44 1.102 -3.543 13.583 1.00 0.00 C ATOM 647 O GLY A 44 1.839 -4.423 14.030 1.00 0.00 O ATOM 0 H GLY A 44 0.171 -1.183 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.057 -1.705 14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.864 -2.258 15.278 1.00 0.00 H new ATOM 651 N THR A 45 0.298 -3.734 12.542 1.00 0.00 N ATOM 652 CA THR A 45 0.232 -5.016 11.852 1.00 0.00 C ATOM 653 C THR A 45 0.839 -4.921 10.456 1.00 0.00 C ATOM 654 O THR A 45 1.254 -3.847 10.020 1.00 0.00 O ATOM 655 CB THR A 45 -1.219 -5.518 11.735 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.965 -5.132 12.895 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.258 -7.031 11.581 1.00 0.00 C ATOM 0 H THR A 45 -0.317 -3.016 12.158 1.00 0.00 H new ATOM 0 HA THR A 45 0.806 -5.725 12.448 1.00 0.00 H new ATOM 0 HB THR A 45 -1.666 -5.067 10.849 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.456 -4.305 12.708 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.293 -7.362 11.500 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.714 -7.319 10.682 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.795 -7.497 12.451 1.00 0.00 H new ATOM 665 N VAL A 46 0.886 -6.051 9.758 1.00 0.00 N ATOM 666 CA VAL A 46 1.441 -6.095 8.410 1.00 0.00 C ATOM 667 C VAL A 46 0.922 -7.305 7.642 1.00 0.00 C ATOM 668 O VAL A 46 0.900 -8.422 8.161 1.00 0.00 O ATOM 669 CB VAL A 46 2.980 -6.139 8.438 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.466 -7.307 9.282 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.535 -6.225 7.024 1.00 0.00 C ATOM 0 H VAL A 46 0.546 -6.949 10.104 1.00 0.00 H new ATOM 0 HA VAL A 46 1.121 -5.183 7.905 1.00 0.00 H new ATOM 0 HB VAL A 46 3.345 -5.218 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.556 -7.322 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.097 -7.197 10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.094 -8.241 8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.624 -6.255 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.163 -7.129 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.216 -5.352 6.454 1.00 0.00 H new ATOM 681 N LEU A 47 0.505 -7.077 6.402 1.00 0.00 N ATOM 682 CA LEU A 47 -0.014 -8.149 5.559 1.00 0.00 C ATOM 683 C LEU A 47 0.937 -8.442 4.403 1.00 0.00 C ATOM 684 O LEU A 47 1.920 -7.729 4.199 1.00 0.00 O ATOM 685 CB LEU A 47 -1.395 -7.776 5.017 1.00 0.00 C ATOM 686 CG LEU A 47 -2.471 -7.484 6.064 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.629 -6.721 5.441 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.961 -8.778 6.698 1.00 0.00 C ATOM 0 H LEU A 47 0.516 -6.159 5.957 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.101 -9.048 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.288 -6.898 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.746 -8.589 4.382 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.033 -6.863 6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.385 -6.522 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.266 -5.777 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.068 -7.316 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.726 -8.552 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.382 -9.424 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.126 -9.286 7.180 1.00 0.00 H new ATOM 700 N SER A 48 0.636 -9.493 3.648 1.00 0.00 N ATOM 701 CA SER A 48 1.465 -9.881 2.513 1.00 0.00 C ATOM 702 C SER A 48 0.617 -10.513 1.412 1.00 0.00 C ATOM 703 O SER A 48 -0.604 -10.612 1.533 1.00 0.00 O ATOM 704 CB SER A 48 2.552 -10.860 2.959 1.00 0.00 C ATOM 705 OG SER A 48 2.005 -11.911 3.737 1.00 0.00 O ATOM 0 H SER A 48 -0.176 -10.091 3.802 1.00 0.00 H new ATOM 0 HA SER A 48 1.936 -8.982 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.054 -11.274 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.308 -10.330 3.539 1.00 0.00 H new ATOM 0 HG SER A 48 2.720 -12.524 4.008 1.00 0.00 H new ATOM 711 N HIS A 49 1.275 -10.938 0.338 1.00 0.00 N ATOM 712 CA HIS A 49 0.583 -11.561 -0.785 1.00 0.00 C ATOM 713 C HIS A 49 -0.153 -12.821 -0.339 1.00 0.00 C ATOM 714 O HIS A 49 -1.082 -13.277 -1.005 1.00 0.00 O ATOM 715 CB HIS A 49 1.576 -11.902 -1.897 1.00 0.00 C ATOM 716 CG HIS A 49 0.938 -12.054 -3.243 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.249 -11.037 -3.869 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.889 -13.113 -4.086 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.198 -11.463 -5.037 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.178 -12.720 -5.192 1.00 0.00 N ATOM 0 H HIS A 49 2.286 -10.862 0.222 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.150 -10.851 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.333 -11.120 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.091 -12.828 -1.642 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.107 -10.101 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.328 -14.086 -3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.772 -10.883 -5.744 1.00 0.00 H new ATOM 729 N ALA A 50 0.269 -13.378 0.791 1.00 0.00 N ATOM 730 CA ALA A 50 -0.350 -14.584 1.326 1.00 0.00 C ATOM 731 C ALA A 50 -1.655 -14.258 2.044 1.00 0.00 C ATOM 732 O ALA A 50 -2.693 -14.861 1.770 1.00 0.00 O ATOM 733 CB ALA A 50 0.609 -15.297 2.268 1.00 0.00 C ATOM 0 H ALA A 50 1.037 -13.013 1.354 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.580 -15.246 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.133 -16.196 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.514 -15.572 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.868 -14.634 3.094 1.00 0.00 H new ATOM 739 N SER A 51 -1.596 -13.302 2.965 1.00 0.00 N ATOM 740 CA SER A 51 -2.773 -12.899 3.726 1.00 0.00 C ATOM 741 C SER A 51 -4.031 -12.987 2.868 1.00 0.00 C ATOM 742 O SER A 51 -3.985 -12.776 1.656 1.00 0.00 O ATOM 743 CB SER A 51 -2.601 -11.474 4.256 1.00 0.00 C ATOM 744 OG SER A 51 -1.457 -11.373 5.085 1.00 0.00 O ATOM 0 H SER A 51 -0.745 -12.792 3.203 1.00 0.00 H new ATOM 0 HA SER A 51 -2.881 -13.581 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.511 -10.780 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.488 -11.182 4.818 1.00 0.00 H new ATOM 0 HG SER A 51 -1.727 -11.083 5.981 1.00 0.00 H new ATOM 750 N ARG A 52 -5.154 -13.299 3.505 1.00 0.00 N ATOM 751 CA ARG A 52 -6.426 -13.416 2.801 1.00 0.00 C ATOM 752 C ARG A 52 -7.361 -12.269 3.173 1.00 0.00 C ATOM 753 O ARG A 52 -8.581 -12.434 3.201 1.00 0.00 O ATOM 754 CB ARG A 52 -7.090 -14.756 3.123 1.00 0.00 C ATOM 755 CG ARG A 52 -6.614 -15.900 2.243 1.00 0.00 C ATOM 756 CD ARG A 52 -7.317 -17.202 2.592 1.00 0.00 C ATOM 757 NE ARG A 52 -6.871 -18.308 1.751 1.00 0.00 N ATOM 758 CZ ARG A 52 -7.011 -19.587 2.082 1.00 0.00 C ATOM 759 NH1 ARG A 52 -7.584 -19.918 3.231 1.00 0.00 N ATOM 760 NH2 ARG A 52 -6.579 -20.537 1.263 1.00 0.00 N ATOM 0 H ARG A 52 -5.210 -13.476 4.508 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.226 -13.366 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.896 -15.006 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.170 -14.652 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.797 -15.656 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.537 -16.025 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.131 -17.445 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.394 -17.074 2.481 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.427 -18.087 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.918 -19.190 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.691 -20.901 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.139 -20.286 0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.687 -21.519 1.518 1.00 0.00 H new ATOM 774 N HIS A 53 -6.781 -11.108 3.459 1.00 0.00 N ATOM 775 CA HIS A 53 -7.562 -9.934 3.829 1.00 0.00 C ATOM 776 C HIS A 53 -8.472 -9.503 2.683 1.00 0.00 C ATOM 777 O HIS A 53 -8.045 -9.369 1.536 1.00 0.00 O ATOM 778 CB HIS A 53 -6.636 -8.782 4.222 1.00 0.00 C ATOM 779 CG HIS A 53 -7.251 -7.825 5.196 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.269 -6.958 4.859 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.987 -7.601 6.505 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.604 -6.242 5.917 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.841 -6.613 6.930 1.00 0.00 N ATOM 0 H HIS A 53 -5.773 -10.955 3.442 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.185 -10.197 4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.723 -9.192 4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.346 -8.237 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.243 -8.106 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.371 -5.482 5.949 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.880 -6.228 7.874 1.00 0.00 H new ATOM 792 N PRO A 54 -9.757 -9.280 2.998 1.00 0.00 N ATOM 793 CA PRO A 54 -10.753 -8.862 2.008 1.00 0.00 C ATOM 794 C PRO A 54 -10.524 -7.435 1.522 1.00 0.00 C ATOM 795 O PRO A 54 -10.469 -7.180 0.319 1.00 0.00 O ATOM 796 CB PRO A 54 -12.076 -8.960 2.772 1.00 0.00 C ATOM 797 CG PRO A 54 -11.698 -8.801 4.204 1.00 0.00 C ATOM 798 CD PRO A 54 -10.335 -9.420 4.344 1.00 0.00 C ATOM 0 HA PRO A 54 -10.717 -9.478 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.773 -8.183 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.565 -9.918 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.680 -7.749 4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.419 -9.295 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.735 -8.905 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.398 -10.465 4.648 1.00 0.00 H new ATOM 806 N ARG A 55 -10.389 -6.508 2.465 1.00 0.00 N ATOM 807 CA ARG A 55 -10.166 -5.106 2.132 1.00 0.00 C ATOM 808 C ARG A 55 -8.750 -4.891 1.606 1.00 0.00 C ATOM 809 O ARG A 55 -8.555 -4.568 0.434 1.00 0.00 O ATOM 810 CB ARG A 55 -10.405 -4.224 3.359 1.00 0.00 C ATOM 811 CG ARG A 55 -11.840 -3.740 3.490 1.00 0.00 C ATOM 812 CD ARG A 55 -11.968 -2.656 4.549 1.00 0.00 C ATOM 813 NE ARG A 55 -10.782 -1.805 4.606 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.704 -2.094 5.327 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.663 -3.206 6.048 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.665 -1.269 5.328 1.00 0.00 N ATOM 0 H ARG A 55 -10.430 -6.703 3.465 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.872 -4.828 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.135 -4.782 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.742 -3.360 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.184 -3.355 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.486 -4.579 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.844 -2.043 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.130 -3.118 5.523 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.781 -0.942 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.460 -3.842 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.834 -3.425 6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.693 -0.412 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.838 -1.491 5.882 1.00 0.00 H new ATOM 830 N ILE A 56 -7.766 -5.071 2.481 1.00 0.00 N ATOM 831 CA ILE A 56 -6.368 -4.898 2.104 1.00 0.00 C ATOM 832 C ILE A 56 -5.903 -6.021 1.183 1.00 0.00 C ATOM 833 O ILE A 56 -5.548 -7.106 1.642 1.00 0.00 O ATOM 834 CB ILE A 56 -5.453 -4.851 3.342 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.876 -3.714 4.274 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.001 -4.687 2.921 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.271 -3.809 5.656 1.00 0.00 C ATOM 0 H ILE A 56 -7.911 -5.336 3.455 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.299 -3.947 1.575 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.550 -5.792 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.590 -2.762 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.963 -3.712 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.367 -4.655 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.707 -5.529 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.887 -3.759 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.615 -2.971 6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.578 -4.745 6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.184 -3.780 5.580 1.00 0.00 H new ATOM 849 N SER A 57 -5.907 -5.752 -0.118 1.00 0.00 N ATOM 850 CA SER A 57 -5.488 -6.740 -1.104 1.00 0.00 C ATOM 851 C SER A 57 -4.132 -6.372 -1.699 1.00 0.00 C ATOM 852 O SER A 57 -3.919 -5.241 -2.137 1.00 0.00 O ATOM 853 CB SER A 57 -6.531 -6.856 -2.217 1.00 0.00 C ATOM 854 OG SER A 57 -7.639 -7.634 -1.798 1.00 0.00 O ATOM 0 H SER A 57 -6.196 -4.857 -0.514 1.00 0.00 H new ATOM 0 HA SER A 57 -5.396 -7.702 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.870 -5.862 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.078 -7.308 -3.099 1.00 0.00 H new ATOM 0 HG SER A 57 -8.292 -7.692 -2.526 1.00 0.00 H new ATOM 860 N VAL A 58 -3.217 -7.337 -1.712 1.00 0.00 N ATOM 861 CA VAL A 58 -1.881 -7.116 -2.254 1.00 0.00 C ATOM 862 C VAL A 58 -1.739 -7.740 -3.637 1.00 0.00 C ATOM 863 O VAL A 58 -1.493 -8.940 -3.768 1.00 0.00 O ATOM 864 CB VAL A 58 -0.797 -7.697 -1.327 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.586 -7.485 -1.924 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.890 -7.075 0.058 1.00 0.00 C ATOM 0 H VAL A 58 -3.376 -8.279 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.744 -6.037 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.964 -8.770 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.339 -7.902 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.645 -7.983 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.767 -6.418 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.116 -7.498 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.750 -5.997 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.870 -7.285 0.486 1.00 0.00 H new ATOM 876 N LEU A 59 -1.896 -6.918 -4.669 1.00 0.00 N ATOM 877 CA LEU A 59 -1.785 -7.389 -6.046 1.00 0.00 C ATOM 878 C LEU A 59 -0.373 -7.885 -6.340 1.00 0.00 C ATOM 879 O LEU A 59 0.573 -7.555 -5.625 1.00 0.00 O ATOM 880 CB LEU A 59 -2.158 -6.269 -7.020 1.00 0.00 C ATOM 881 CG LEU A 59 -3.503 -5.585 -6.773 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.823 -4.616 -7.900 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.609 -6.620 -6.627 1.00 0.00 C ATOM 0 H LEU A 59 -2.100 -5.923 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.477 -8.221 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.376 -5.511 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.162 -6.679 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.437 -5.020 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.784 -4.138 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.045 -3.855 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.870 -5.159 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.559 -6.115 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.676 -7.212 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.386 -7.275 -5.785 1.00 0.00 H new ATOM 895 N ASN A 60 -0.238 -8.678 -7.397 1.00 0.00 N ATOM 896 CA ASN A 60 1.060 -9.218 -7.787 1.00 0.00 C ATOM 897 C ASN A 60 2.090 -8.103 -7.938 1.00 0.00 C ATOM 898 O ASN A 60 3.031 -8.002 -7.150 1.00 0.00 O ATOM 899 CB ASN A 60 0.938 -9.997 -9.099 1.00 0.00 C ATOM 900 CG ASN A 60 0.234 -11.327 -8.918 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.557 -12.095 -8.012 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.735 -11.606 -9.782 1.00 0.00 N ATOM 0 H ASN A 60 -1.011 -8.961 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 60 1.396 -9.894 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.392 -9.396 -9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.933 -10.169 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.245 -12.487 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.970 -10.940 -10.518 1.00 0.00 H new ATOM 909 N ASP A 61 1.905 -7.268 -8.955 1.00 0.00 N ATOM 910 CA ASP A 61 2.818 -6.159 -9.209 1.00 0.00 C ATOM 911 C ASP A 61 3.328 -5.565 -7.900 1.00 0.00 C ATOM 912 O ASP A 61 4.494 -5.190 -7.789 1.00 0.00 O ATOM 913 CB ASP A 61 2.122 -5.078 -10.038 1.00 0.00 C ATOM 914 CG ASP A 61 1.857 -5.522 -11.463 1.00 0.00 C ATOM 915 OD1 ASP A 61 1.341 -6.644 -11.649 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.166 -4.747 -12.392 1.00 0.00 O ATOM 0 H ASP A 61 1.132 -7.338 -9.616 1.00 0.00 H new ATOM 0 HA ASP A 61 3.671 -6.543 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.178 -4.811 -9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.739 -4.179 -10.049 1.00 0.00 H new ATOM 921 N GLY A 62 2.444 -5.480 -6.910 1.00 0.00 N ATOM 922 CA GLY A 62 2.823 -4.929 -5.622 1.00 0.00 C ATOM 923 C GLY A 62 1.995 -3.718 -5.243 1.00 0.00 C ATOM 924 O GLY A 62 2.514 -2.749 -4.687 1.00 0.00 O ATOM 0 H GLY A 62 1.472 -5.783 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.712 -5.696 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.877 -4.652 -5.645 1.00 0.00 H new ATOM 928 N THR A 63 0.701 -3.769 -5.546 1.00 0.00 N ATOM 929 CA THR A 63 -0.200 -2.667 -5.236 1.00 0.00 C ATOM 930 C THR A 63 -1.172 -3.047 -4.125 1.00 0.00 C ATOM 931 O THR A 63 -1.698 -4.160 -4.100 1.00 0.00 O ATOM 932 CB THR A 63 -1.002 -2.231 -6.477 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.109 -1.822 -7.519 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.948 -1.090 -6.137 1.00 0.00 C ATOM 0 H THR A 63 0.254 -4.562 -6.006 1.00 0.00 H new ATOM 0 HA THR A 63 0.421 -1.835 -4.903 1.00 0.00 H new ATOM 0 HB THR A 63 -1.592 -3.082 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.627 -1.548 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.503 -0.800 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.646 -1.414 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.374 -0.238 -5.773 1.00 0.00 H new ATOM 942 N LEU A 64 -1.408 -2.116 -3.207 1.00 0.00 N ATOM 943 CA LEU A 64 -2.319 -2.353 -2.093 1.00 0.00 C ATOM 944 C LEU A 64 -3.697 -1.767 -2.381 1.00 0.00 C ATOM 945 O LEU A 64 -3.881 -0.550 -2.363 1.00 0.00 O ATOM 946 CB LEU A 64 -1.752 -1.746 -0.808 1.00 0.00 C ATOM 947 CG LEU A 64 -2.208 -2.396 0.499 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.713 -3.832 0.582 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.719 -1.592 1.694 1.00 0.00 C ATOM 0 H LEU A 64 -0.981 -1.190 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.423 -3.430 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.664 -1.796 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.021 -0.690 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.298 -2.407 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.047 -4.278 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.113 -4.404 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.624 -3.844 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.053 -2.070 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.630 -1.548 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.123 -0.581 1.642 1.00 0.00 H new ATOM 961 N ASN A 65 -4.663 -2.641 -2.645 1.00 0.00 N ATOM 962 CA ASN A 65 -6.025 -2.209 -2.935 1.00 0.00 C ATOM 963 C ASN A 65 -6.881 -2.221 -1.672 1.00 0.00 C ATOM 964 O ASN A 65 -6.638 -3.003 -0.752 1.00 0.00 O ATOM 965 CB ASN A 65 -6.653 -3.114 -3.998 1.00 0.00 C ATOM 966 CG ASN A 65 -8.119 -2.803 -4.229 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.963 -3.064 -3.370 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.430 -2.244 -5.393 1.00 0.00 N ATOM 0 H ASN A 65 -4.528 -3.652 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.983 -1.188 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.108 -3.001 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.549 -4.155 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.401 -2.013 -5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.698 -2.045 -6.075 1.00 0.00 H new ATOM 975 N PHE A 66 -7.884 -1.350 -1.635 1.00 0.00 N ATOM 976 CA PHE A 66 -8.775 -1.260 -0.485 1.00 0.00 C ATOM 977 C PHE A 66 -10.233 -1.188 -0.931 1.00 0.00 C ATOM 978 O PHE A 66 -10.763 -0.106 -1.184 1.00 0.00 O ATOM 979 CB PHE A 66 -8.428 -0.033 0.361 1.00 0.00 C ATOM 980 CG PHE A 66 -7.063 -0.101 0.983 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.927 0.105 0.217 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.915 -0.371 2.334 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.669 0.044 0.786 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.660 -0.433 2.909 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.535 -0.226 2.134 1.00 0.00 C ATOM 0 H PHE A 66 -8.100 -0.697 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.641 -2.158 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.490 0.858 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.173 0.077 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.026 0.316 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.791 -0.535 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.792 0.207 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.559 -0.643 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.553 -0.275 2.581 1.00 0.00 H new ATOM 995 N SER A 67 -10.874 -2.348 -1.026 1.00 0.00 N ATOM 996 CA SER A 67 -12.269 -2.418 -1.446 1.00 0.00 C ATOM 997 C SER A 67 -13.063 -1.239 -0.893 1.00 0.00 C ATOM 998 O SER A 67 -13.781 -0.560 -1.627 1.00 0.00 O ATOM 999 CB SER A 67 -12.898 -3.734 -0.983 1.00 0.00 C ATOM 1000 OG SER A 67 -14.229 -3.856 -1.451 1.00 0.00 O ATOM 0 H SER A 67 -10.450 -3.252 -0.818 1.00 0.00 H new ATOM 0 HA SER A 67 -12.297 -2.374 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.303 -4.572 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.886 -3.783 0.106 1.00 0.00 H new ATOM 0 HG SER A 67 -14.608 -4.706 -1.143 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.928 -1.002 0.408 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.632 0.096 1.062 1.00 0.00 C ATOM 1008 C HIS A 68 -12.850 0.599 2.271 1.00 0.00 C ATOM 1009 O HIS A 68 -12.761 -0.081 3.293 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.029 -0.352 1.494 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.021 -1.322 2.635 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.345 -1.157 3.939 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.645 -2.641 2.498 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.161 -2.368 4.560 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.740 -3.247 3.669 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.338 -1.555 1.030 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.725 0.913 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.611 0.525 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.534 -0.809 0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.323 -3.106 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.333 -2.569 5.607 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.525 -4.227 3.853 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.285 1.796 2.148 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.510 2.391 3.230 1.00 0.00 C ATOM 1026 C VAL A 69 -12.420 2.886 4.349 1.00 0.00 C ATOM 1027 O VAL A 69 -13.598 3.169 4.127 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.650 3.565 2.726 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.511 3.057 1.855 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.508 4.565 1.966 1.00 0.00 C ATOM 0 H VAL A 69 -12.350 2.373 1.309 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.854 1.610 3.616 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.218 4.073 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.914 3.901 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.882 2.382 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.919 2.524 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.885 5.388 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.970 4.072 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.285 4.953 2.625 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.866 2.988 5.552 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.627 3.449 6.708 1.00 0.00 C ATOM 1042 C LEU A 70 -11.874 4.546 7.453 1.00 0.00 C ATOM 1043 O LEU A 70 -10.654 4.670 7.332 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.917 2.281 7.653 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.373 0.981 6.991 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.110 -0.205 7.907 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.848 1.057 6.626 1.00 0.00 C ATOM 0 H LEU A 70 -10.893 2.758 5.752 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.571 3.860 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.016 2.075 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.685 2.594 8.361 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.799 0.842 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.441 -1.122 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.043 -0.271 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.658 -0.072 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.155 0.123 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.438 1.220 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.009 1.882 5.932 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.607 5.340 8.226 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.008 6.426 8.994 1.00 0.00 C ATOM 1061 C LEU A 71 -10.810 5.930 9.796 1.00 0.00 C ATOM 1062 O LEU A 71 -9.833 6.654 9.985 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.045 7.045 9.934 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.184 7.813 9.264 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.252 8.180 10.283 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.652 9.061 8.573 1.00 0.00 C ATOM 0 H LEU A 71 -13.617 5.252 8.338 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.663 7.186 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.478 6.249 10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.530 7.721 10.616 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.636 7.169 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.055 8.726 9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.654 7.272 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.813 8.805 11.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.477 9.595 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.174 9.708 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.924 8.774 7.814 1.00 0.00 H new ATOM 1078 N SER A 72 -10.891 4.688 10.265 1.00 0.00 N ATOM 1079 CA SER A 72 -9.814 4.095 11.049 1.00 0.00 C ATOM 1080 C SER A 72 -8.611 3.778 10.166 1.00 0.00 C ATOM 1081 O SER A 72 -7.473 3.748 10.635 1.00 0.00 O ATOM 1082 CB SER A 72 -10.301 2.821 11.742 1.00 0.00 C ATOM 1083 OG SER A 72 -11.316 3.112 12.688 1.00 0.00 O ATOM 0 H SER A 72 -11.691 4.074 10.115 1.00 0.00 H new ATOM 0 HA SER A 72 -9.508 4.818 11.805 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.682 2.121 10.998 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.464 2.332 12.240 1.00 0.00 H new ATOM 0 HG SER A 72 -11.612 2.282 13.116 1.00 0.00 H new ATOM 1089 N ASP A 73 -8.871 3.542 8.884 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.811 3.228 7.934 1.00 0.00 C ATOM 1091 C ASP A 73 -6.867 4.414 7.761 1.00 0.00 C ATOM 1092 O ASP A 73 -5.733 4.258 7.309 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.409 2.835 6.582 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.273 1.593 6.670 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.612 1.185 7.801 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.612 1.030 5.609 1.00 0.00 O ATOM 0 H ASP A 73 -9.807 3.562 8.480 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.240 2.387 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.005 3.662 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.604 2.664 5.868 1.00 0.00 H new ATOM 1101 N THR A 74 -7.344 5.601 8.124 1.00 0.00 N ATOM 1102 CA THR A 74 -6.544 6.814 8.008 1.00 0.00 C ATOM 1103 C THR A 74 -5.226 6.678 8.761 1.00 0.00 C ATOM 1104 O THR A 74 -5.206 6.322 9.938 1.00 0.00 O ATOM 1105 CB THR A 74 -7.305 8.042 8.544 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.504 8.244 7.788 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.437 9.289 8.471 1.00 0.00 C ATOM 0 H THR A 74 -8.280 5.748 8.501 1.00 0.00 H new ATOM 0 HA THR A 74 -6.339 6.957 6.947 1.00 0.00 H new ATOM 0 HB THR A 74 -7.561 7.857 9.587 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.275 7.940 8.311 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.995 10.143 8.855 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.539 9.143 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.155 9.476 7.435 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.125 6.965 8.073 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.816 6.869 8.694 1.00 0.00 C ATOM 1117 C GLY A 75 -1.695 6.807 7.677 1.00 0.00 C ATOM 1118 O GLY A 75 -1.767 7.439 6.623 1.00 0.00 O ATOM 0 H GLY A 75 -4.116 7.262 7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.663 7.729 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.780 5.980 9.324 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.652 6.045 7.993 1.00 0.00 N ATOM 1123 CA VAL A 76 0.491 5.904 7.098 1.00 0.00 C ATOM 1124 C VAL A 76 0.815 4.435 6.849 1.00 0.00 C ATOM 1125 O VAL A 76 0.879 3.636 7.783 1.00 0.00 O ATOM 1126 CB VAL A 76 1.739 6.605 7.667 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.915 6.457 6.715 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.446 8.072 7.944 1.00 0.00 C ATOM 0 H VAL A 76 -0.575 5.516 8.862 1.00 0.00 H new ATOM 0 HA VAL A 76 0.216 6.377 6.155 1.00 0.00 H new ATOM 0 HB VAL A 76 2.005 6.128 8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.787 6.959 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.138 5.399 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.664 6.907 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.339 8.552 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.154 8.566 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.635 8.151 8.668 1.00 0.00 H new ATOM 1138 N TYR A 77 1.019 4.087 5.584 1.00 0.00 N ATOM 1139 CA TYR A 77 1.335 2.714 5.210 1.00 0.00 C ATOM 1140 C TYR A 77 2.780 2.597 4.735 1.00 0.00 C ATOM 1141 O TYR A 77 3.238 3.380 3.901 1.00 0.00 O ATOM 1142 CB TYR A 77 0.385 2.229 4.114 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.058 2.145 4.557 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.767 3.288 4.904 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.713 0.921 4.627 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.085 3.215 5.310 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.032 0.839 5.031 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.713 1.989 5.372 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.027 1.912 5.774 1.00 0.00 O ATOM 0 H TYR A 77 0.971 4.737 4.800 1.00 0.00 H new ATOM 0 HA TYR A 77 1.210 2.087 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.455 2.902 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.709 1.246 3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.279 4.250 4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.182 0.019 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.621 4.114 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.527 -0.120 5.079 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.257 2.710 6.294 1.00 0.00 H new ATOM 1159 N THR A 78 3.495 1.613 5.271 1.00 0.00 N ATOM 1160 CA THR A 78 4.888 1.393 4.903 1.00 0.00 C ATOM 1161 C THR A 78 5.053 0.090 4.129 1.00 0.00 C ATOM 1162 O THR A 78 4.908 -0.998 4.688 1.00 0.00 O ATOM 1163 CB THR A 78 5.798 1.357 6.145 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.469 2.438 7.025 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.263 1.449 5.746 1.00 0.00 C ATOM 0 H THR A 78 3.132 0.956 5.961 1.00 0.00 H new ATOM 0 HA THR A 78 5.183 2.229 4.269 1.00 0.00 H new ATOM 0 HB THR A 78 5.637 0.409 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.051 2.407 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.886 1.422 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.518 0.609 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.437 2.383 5.211 1.00 0.00 H new ATOM 1173 N CYS A 79 5.357 0.207 2.841 1.00 0.00 N ATOM 1174 CA CYS A 79 5.542 -0.963 1.990 1.00 0.00 C ATOM 1175 C CYS A 79 6.993 -1.432 2.017 1.00 0.00 C ATOM 1176 O CYS A 79 7.909 -0.663 1.729 1.00 0.00 O ATOM 1177 CB CYS A 79 5.123 -0.646 0.554 1.00 0.00 C ATOM 1178 SG CYS A 79 5.164 -2.070 -0.559 1.00 0.00 S ATOM 0 H CYS A 79 5.481 1.100 2.363 1.00 0.00 H new ATOM 0 HA CYS A 79 4.913 -1.765 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.113 -0.235 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.779 0.130 0.158 1.00 0.00 H new ATOM 0 HG CYS A 79 3.949 -2.431 -0.847 1.00 0.00 H new ATOM 1184 N MET A 80 7.194 -2.698 2.368 1.00 0.00 N ATOM 1185 CA MET A 80 8.534 -3.269 2.433 1.00 0.00 C ATOM 1186 C MET A 80 8.888 -3.976 1.128 1.00 0.00 C ATOM 1187 O MET A 80 8.044 -4.630 0.516 1.00 0.00 O ATOM 1188 CB MET A 80 8.636 -4.251 3.602 1.00 0.00 C ATOM 1189 CG MET A 80 7.968 -3.754 4.874 1.00 0.00 C ATOM 1190 SD MET A 80 8.122 -4.919 6.241 1.00 0.00 S ATOM 1191 CE MET A 80 6.616 -4.578 7.148 1.00 0.00 C ATOM 0 H MET A 80 6.446 -3.348 2.612 1.00 0.00 H new ATOM 0 HA MET A 80 9.242 -2.455 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.183 -5.199 3.310 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.688 -4.450 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.410 -2.800 5.163 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.912 -3.569 4.677 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.448 -5.365 7.884 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.707 -3.619 7.657 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.775 -4.543 6.456 1.00 0.00 H new ATOM 1201 N VAL A 81 10.142 -3.839 0.708 1.00 0.00 N ATOM 1202 CA VAL A 81 10.608 -4.464 -0.524 1.00 0.00 C ATOM 1203 C VAL A 81 11.947 -5.163 -0.313 1.00 0.00 C ATOM 1204 O VAL A 81 12.949 -4.524 0.011 1.00 0.00 O ATOM 1205 CB VAL A 81 10.753 -3.432 -1.658 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.344 -4.082 -2.899 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.408 -2.792 -1.970 1.00 0.00 C ATOM 0 H VAL A 81 10.853 -3.301 1.203 1.00 0.00 H new ATOM 0 HA VAL A 81 9.857 -5.201 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 81 11.435 -2.648 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.439 -3.338 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.327 -4.489 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.690 -4.886 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.528 -2.065 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.702 -3.562 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.029 -2.289 -1.080 1.00 0.00 H new ATOM 1217 N THR A 82 11.957 -6.479 -0.499 1.00 0.00 N ATOM 1218 CA THR A 82 13.172 -7.265 -0.329 1.00 0.00 C ATOM 1219 C THR A 82 13.617 -7.882 -1.650 1.00 0.00 C ATOM 1220 O THR A 82 12.878 -8.647 -2.268 1.00 0.00 O ATOM 1221 CB THR A 82 12.975 -8.387 0.708 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.437 -7.845 1.919 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.291 -9.090 1.002 1.00 0.00 C ATOM 0 H THR A 82 11.137 -7.023 -0.767 1.00 0.00 H new ATOM 0 HA THR A 82 13.943 -6.582 0.028 1.00 0.00 H new ATOM 0 HB THR A 82 12.277 -9.115 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.313 -8.565 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.126 -9.878 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.683 -9.527 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.008 -8.370 1.397 1.00 0.00 H new ATOM 1231 N ASN A 83 14.830 -7.545 -2.076 1.00 0.00 N ATOM 1232 CA ASN A 83 15.373 -8.067 -3.325 1.00 0.00 C ATOM 1233 C ASN A 83 16.797 -8.579 -3.127 1.00 0.00 C ATOM 1234 O ASN A 83 17.635 -7.900 -2.534 1.00 0.00 O ATOM 1235 CB ASN A 83 15.355 -6.984 -4.406 1.00 0.00 C ATOM 1236 CG ASN A 83 15.904 -7.479 -5.730 1.00 0.00 C ATOM 1237 OD1 ASN A 83 17.110 -7.423 -5.974 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.020 -7.966 -6.592 1.00 0.00 N ATOM 0 H ASN A 83 15.455 -6.913 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 83 14.747 -8.900 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.333 -6.633 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.941 -6.129 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.330 -8.313 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.030 -7.993 -6.347 1.00 0.00 H new ATOM 1245 N VAL A 84 17.062 -9.781 -3.628 1.00 0.00 N ATOM 1246 CA VAL A 84 18.384 -10.385 -3.508 1.00 0.00 C ATOM 1247 C VAL A 84 19.480 -9.329 -3.599 1.00 0.00 C ATOM 1248 O VAL A 84 20.423 -9.329 -2.808 1.00 0.00 O ATOM 1249 CB VAL A 84 18.618 -11.447 -4.598 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.449 -10.838 -5.982 1.00 0.00 C ATOM 1251 CG2 VAL A 84 19.996 -12.072 -4.446 1.00 0.00 C ATOM 0 H VAL A 84 16.379 -10.356 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 84 18.425 -10.865 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 84 17.873 -12.234 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.618 -11.603 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.438 -10.443 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.169 -10.031 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.144 -12.820 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.758 -11.298 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.075 -12.546 -3.468 1.00 0.00 H new ATOM 1261 N ALA A 85 19.349 -8.430 -4.568 1.00 0.00 N ATOM 1262 CA ALA A 85 20.327 -7.366 -4.761 1.00 0.00 C ATOM 1263 C ALA A 85 20.383 -6.445 -3.548 1.00 0.00 C ATOM 1264 O ALA A 85 21.440 -6.256 -2.947 1.00 0.00 O ATOM 1265 CB ALA A 85 20.000 -6.570 -6.016 1.00 0.00 C ATOM 0 H ALA A 85 18.575 -8.417 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 85 21.308 -7.826 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.738 -5.779 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.019 -7.232 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.008 -6.128 -5.919 1.00 0.00 H new ATOM 1271 N GLY A 86 19.237 -5.872 -3.192 1.00 0.00 N ATOM 1272 CA GLY A 86 19.178 -4.976 -2.052 1.00 0.00 C ATOM 1273 C GLY A 86 17.795 -4.912 -1.435 1.00 0.00 C ATOM 1274 O GLY A 86 16.846 -5.490 -1.963 1.00 0.00 O ATOM 0 H GLY A 86 18.349 -6.012 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.894 -5.305 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.480 -3.976 -2.364 1.00 0.00 H new ATOM 1278 N ASN A 87 17.680 -4.209 -0.314 1.00 0.00 N ATOM 1279 CA ASN A 87 16.403 -4.074 0.377 1.00 0.00 C ATOM 1280 C ASN A 87 15.998 -2.607 0.489 1.00 0.00 C ATOM 1281 O ASN A 87 16.831 -1.741 0.756 1.00 0.00 O ATOM 1282 CB ASN A 87 16.484 -4.700 1.770 1.00 0.00 C ATOM 1283 CG ASN A 87 16.963 -6.138 1.731 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.862 -6.484 0.963 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.364 -6.985 2.560 1.00 0.00 N ATOM 0 H ASN A 87 18.456 -3.723 0.136 1.00 0.00 H new ATOM 0 HA ASN A 87 15.646 -4.599 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.160 -4.112 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.502 -4.660 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.644 -7.966 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.624 -6.655 3.179 1.00 0.00 H new ATOM 1292 N SER A 88 14.713 -2.336 0.285 1.00 0.00 N ATOM 1293 CA SER A 88 14.197 -0.975 0.360 1.00 0.00 C ATOM 1294 C SER A 88 12.764 -0.965 0.883 1.00 0.00 C ATOM 1295 O SER A 88 12.163 -2.016 1.100 1.00 0.00 O ATOM 1296 CB SER A 88 14.254 -0.308 -1.016 1.00 0.00 C ATOM 1297 OG SER A 88 15.582 -0.272 -1.511 1.00 0.00 O ATOM 0 H SER A 88 14.010 -3.042 0.066 1.00 0.00 H new ATOM 0 HA SER A 88 14.823 -0.414 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.617 -0.852 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.860 0.706 -0.949 1.00 0.00 H new ATOM 0 HG SER A 88 16.016 0.558 -1.223 1.00 0.00 H new ATOM 1303 N ASN A 89 12.222 0.232 1.083 1.00 0.00 N ATOM 1304 CA ASN A 89 10.859 0.381 1.582 1.00 0.00 C ATOM 1305 C ASN A 89 10.288 1.745 1.205 1.00 0.00 C ATOM 1306 O ASN A 89 11.031 2.699 0.977 1.00 0.00 O ATOM 1307 CB ASN A 89 10.828 0.204 3.101 1.00 0.00 C ATOM 1308 CG ASN A 89 11.560 1.315 3.828 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.198 2.164 3.205 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.473 1.313 5.153 1.00 0.00 N ATOM 0 H ASN A 89 12.705 1.113 0.907 1.00 0.00 H new ATOM 0 HA ASN A 89 10.243 -0.391 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.792 0.173 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.277 -0.754 3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.946 2.035 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.933 0.589 5.628 1.00 0.00 H new ATOM 1317 N ALA A 90 8.963 1.829 1.144 1.00 0.00 N ATOM 1318 CA ALA A 90 8.292 3.076 0.798 1.00 0.00 C ATOM 1319 C ALA A 90 7.187 3.399 1.798 1.00 0.00 C ATOM 1320 O ALA A 90 6.722 2.525 2.529 1.00 0.00 O ATOM 1321 CB ALA A 90 7.725 2.997 -0.612 1.00 0.00 C ATOM 0 H ALA A 90 8.333 1.048 1.330 1.00 0.00 H new ATOM 0 HA ALA A 90 9.028 3.879 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.227 3.935 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.534 2.820 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.007 2.179 -0.670 1.00 0.00 H new ATOM 1327 N SER A 91 6.770 4.661 1.824 1.00 0.00 N ATOM 1328 CA SER A 91 5.722 5.101 2.738 1.00 0.00 C ATOM 1329 C SER A 91 4.685 5.949 2.007 1.00 0.00 C ATOM 1330 O SER A 91 4.930 6.431 0.901 1.00 0.00 O ATOM 1331 CB SER A 91 6.327 5.899 3.894 1.00 0.00 C ATOM 1332 OG SER A 91 7.215 5.100 4.656 1.00 0.00 O ATOM 0 H SER A 91 7.142 5.397 1.223 1.00 0.00 H new ATOM 0 HA SER A 91 5.226 4.216 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.858 6.766 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.531 6.276 4.536 1.00 0.00 H new ATOM 0 HG SER A 91 7.589 5.634 5.388 1.00 0.00 H new ATOM 1338 N ALA A 92 3.527 6.126 2.634 1.00 0.00 N ATOM 1339 CA ALA A 92 2.453 6.916 2.045 1.00 0.00 C ATOM 1340 C ALA A 92 1.328 7.146 3.048 1.00 0.00 C ATOM 1341 O ALA A 92 1.126 6.348 3.964 1.00 0.00 O ATOM 1342 CB ALA A 92 1.917 6.232 0.796 1.00 0.00 C ATOM 0 H ALA A 92 3.309 5.733 3.550 1.00 0.00 H new ATOM 0 HA ALA A 92 2.861 7.887 1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.116 6.834 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.720 6.125 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.531 5.247 1.058 1.00 0.00 H new ATOM 1348 N TYR A 93 0.598 8.242 2.871 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.506 8.578 3.762 1.00 0.00 C ATOM 1350 C TYR A 93 -1.849 8.340 3.080 1.00 0.00 C ATOM 1351 O TYR A 93 -1.957 8.400 1.855 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.400 10.037 4.211 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.374 10.406 5.307 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.139 10.036 6.625 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.530 11.123 5.024 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -2.026 10.370 7.630 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.422 11.462 6.022 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.166 11.083 7.324 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.053 11.419 8.321 1.00 0.00 O ATOM 0 H TYR A 93 0.751 8.913 2.118 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.444 7.930 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.615 10.228 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.570 10.686 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.247 9.477 6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.734 11.420 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.828 10.074 8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.315 12.021 5.785 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.802 11.921 7.937 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.873 8.070 3.883 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.212 7.824 3.359 1.00 0.00 C ATOM 1371 C LEU A 94 -5.263 8.562 4.182 1.00 0.00 C ATOM 1372 O LEU A 94 -5.451 8.279 5.364 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.511 6.323 3.356 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.937 5.924 2.973 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.119 5.978 1.464 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.262 4.535 3.502 1.00 0.00 C ATOM 0 H LEU A 94 -2.801 8.016 4.899 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.250 8.198 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.821 5.837 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.299 5.929 4.350 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.627 6.635 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.139 5.691 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.928 6.991 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.420 5.290 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.280 4.267 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.566 3.812 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.173 4.529 4.588 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.947 9.507 3.546 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.981 10.285 4.219 1.00 0.00 C ATOM 1390 C ASN A 95 -8.364 9.699 3.950 1.00 0.00 C ATOM 1391 O ASN A 95 -8.716 9.411 2.806 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.934 11.743 3.757 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.065 12.570 4.337 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.977 12.038 4.970 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.010 13.880 4.123 1.00 0.00 N ATOM 0 H ASN A 95 -5.804 9.753 2.566 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.791 10.245 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.980 12.183 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.983 11.778 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.743 14.488 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.235 14.278 3.593 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.145 9.527 5.012 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.490 8.977 4.891 1.00 0.00 C ATOM 1404 C VAL A 96 -11.520 9.900 5.531 1.00 0.00 C ATOM 1405 O VAL A 96 -11.382 10.295 6.689 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.588 7.586 5.544 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.970 6.989 5.325 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.508 6.664 4.998 1.00 0.00 C ATOM 0 H VAL A 96 -8.869 9.761 5.966 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.700 8.886 3.825 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.432 7.696 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.020 6.006 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.722 7.641 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.159 6.891 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.592 5.685 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.631 6.558 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.526 7.087 5.212 1.00 0.00 H new ATOM 1418 N SER A 97 -12.555 10.241 4.769 1.00 0.00 N ATOM 1419 CA SER A 97 -13.608 11.122 5.260 1.00 0.00 C ATOM 1420 C SER A 97 -14.975 10.456 5.133 1.00 0.00 C ATOM 1421 O SER A 97 -15.328 9.933 4.076 1.00 0.00 O ATOM 1422 CB SER A 97 -13.598 12.443 4.490 1.00 0.00 C ATOM 1423 OG SER A 97 -14.353 13.434 5.166 1.00 0.00 O ATOM 0 H SER A 97 -12.686 9.920 3.810 1.00 0.00 H new ATOM 0 HA SER A 97 -13.417 11.324 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.571 12.786 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.007 12.288 3.491 1.00 0.00 H new ATOM 0 HG SER A 97 -14.329 14.269 4.654 1.00 0.00 H new ATOM 1429 N SER A 98 -15.741 10.480 6.219 1.00 0.00 N ATOM 1430 CA SER A 98 -17.069 9.877 6.232 1.00 0.00 C ATOM 1431 C SER A 98 -17.939 10.454 5.120 1.00 0.00 C ATOM 1432 O SER A 98 -17.879 11.647 4.825 1.00 0.00 O ATOM 1433 CB SER A 98 -17.741 10.100 7.588 1.00 0.00 C ATOM 1434 OG SER A 98 -19.121 9.787 7.531 1.00 0.00 O ATOM 0 H SER A 98 -15.465 10.911 7.101 1.00 0.00 H new ATOM 0 HA SER A 98 -16.956 8.806 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.256 9.482 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.613 11.138 7.895 1.00 0.00 H new ATOM 0 HG SER A 98 -19.527 9.936 8.410 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.749 9.597 4.505 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.620 10.039 3.432 1.00 0.00 C ATOM 1442 C GLY A 99 -20.886 10.694 3.946 1.00 0.00 C ATOM 1443 O GLY A 99 -21.179 10.675 5.142 1.00 0.00 O ATOM 0 H GLY A 99 -18.817 8.605 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.082 10.744 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.884 9.186 2.807 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.662 11.291 3.029 1.00 0.00 N ATOM 1448 CA PRO A 100 -22.916 11.968 3.374 1.00 0.00 C ATOM 1449 C PRO A 100 -24.005 10.989 3.800 1.00 0.00 C ATOM 1450 O PRO A 100 -24.766 11.258 4.729 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.309 12.671 2.072 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.658 11.870 0.998 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.375 11.352 1.586 1.00 0.00 C ATOM 0 HA PRO A 100 -22.795 12.644 4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.391 12.696 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -22.963 13.705 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.301 11.049 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.464 12.483 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.116 10.372 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.537 12.015 1.370 1.00 0.00 H new ATOM 1461 N SER A 101 -24.073 9.852 3.114 1.00 0.00 N ATOM 1462 CA SER A 101 -25.072 8.834 3.420 1.00 0.00 C ATOM 1463 C SER A 101 -24.461 7.705 4.245 1.00 0.00 C ATOM 1464 O SER A 101 -23.340 7.268 3.985 1.00 0.00 O ATOM 1465 CB SER A 101 -25.670 8.272 2.129 1.00 0.00 C ATOM 1466 OG SER A 101 -26.808 7.473 2.400 1.00 0.00 O ATOM 0 H SER A 101 -23.449 9.613 2.343 1.00 0.00 H new ATOM 0 HA SER A 101 -25.864 9.301 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.947 9.092 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.921 7.678 1.606 1.00 0.00 H new ATOM 0 HG SER A 101 -27.173 7.127 1.559 1.00 0.00 H new ATOM 1472 N SER A 102 -25.208 7.238 5.240 1.00 0.00 N ATOM 1473 CA SER A 102 -24.740 6.162 6.107 1.00 0.00 C ATOM 1474 C SER A 102 -25.613 4.921 5.951 1.00 0.00 C ATOM 1475 O SER A 102 -26.839 5.001 5.997 1.00 0.00 O ATOM 1476 CB SER A 102 -24.738 6.619 7.567 1.00 0.00 C ATOM 1477 OG SER A 102 -23.752 5.930 8.316 1.00 0.00 O ATOM 0 H SER A 102 -26.139 7.587 5.466 1.00 0.00 H new ATOM 0 HA SER A 102 -23.722 5.908 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.552 7.692 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.720 6.446 8.007 1.00 0.00 H new ATOM 0 HG SER A 102 -23.770 6.241 9.245 1.00 0.00 H new ATOM 1483 N GLY A 103 -24.969 3.772 5.766 1.00 0.00 N ATOM 1484 CA GLY A 103 -25.701 2.529 5.606 1.00 0.00 C ATOM 1485 C GLY A 103 -25.252 1.461 6.584 1.00 0.00 C ATOM 1486 O GLY A 103 -25.441 0.269 6.342 1.00 0.00 O ATOM 0 H GLY A 103 -23.954 3.680 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.766 2.718 5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -25.571 2.163 4.588 1.00 0.00 H new TER 1490 GLY A 103