USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HD1:sc= 0.677 K(o=1.9,f=-7.5!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 0.838 K(o=1.9,f=-4.6!) USER MOD Set 1.3: A 113 CYS SG : rot 81:sc= 0.389 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.377 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.95 K(o=1.3,f=-0.79!) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0509) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.467 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.012 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.17) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.23) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.2) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -120:sc= 0.272 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.801) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.83 K(o=1.8,f=-1.5) USER MOD Single : A 77 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.3) USER MOD Single : A 78 ASN : amide:sc= 0.87 K(o=0.87,f=-6.5!) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.8) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= 2 (180deg=0.471) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 135:sc= 1.92 USER MOD Single : A 89 CYS SG : rot -103:sc= 0.105 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0.623 K(o=0.62,f=-0.18) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= 2.55 (180deg=2.08) USER MOD Single : A 110 SER OG : rot -65:sc= 1.24 USER MOD Single : A 115 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.087) USER MOD Single : A 118 ASN : amide:sc= 0.92 K(o=0.92,f=0.14) USER MOD Single : A 122 TYR OH : rot -7:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.543 1.330 -4.808 1.00 0.00 N ATOM 2 CA MET A 1 6.887 1.130 -3.489 1.00 0.00 C ATOM 3 C MET A 1 5.596 0.314 -3.621 1.00 0.00 C ATOM 4 O MET A 1 5.553 -0.810 -3.127 1.00 0.00 O ATOM 5 CB MET A 1 6.639 2.443 -2.712 1.00 0.00 C ATOM 6 CG MET A 1 7.923 3.054 -2.132 1.00 0.00 C ATOM 7 SD MET A 1 7.680 4.552 -1.127 1.00 0.00 S ATOM 8 CE MET A 1 6.884 3.856 0.351 1.00 0.00 C ATOM 0 H1 MET A 1 8.413 1.886 -4.682 1.00 0.00 H new ATOM 0 H2 MET A 1 7.779 0.406 -5.222 1.00 0.00 H new ATOM 0 H3 MET A 1 6.896 1.839 -5.444 1.00 0.00 H new ATOM 0 HA MET A 1 7.598 0.558 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.167 3.167 -3.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.937 2.251 -1.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.421 2.302 -1.520 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.597 3.293 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.770 4.636 1.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.903 3.462 0.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.501 3.052 0.752 1.00 0.00 H new ATOM 20 N ARG A 2 4.527 0.863 -4.230 1.00 0.00 N ATOM 21 CA ARG A 2 3.149 0.333 -4.278 1.00 0.00 C ATOM 22 C ARG A 2 2.464 0.294 -2.904 1.00 0.00 C ATOM 23 O ARG A 2 1.285 0.640 -2.830 1.00 0.00 O ATOM 24 CB ARG A 2 3.088 -1.010 -5.041 1.00 0.00 C ATOM 25 CG ARG A 2 1.689 -1.622 -5.260 1.00 0.00 C ATOM 26 CD ARG A 2 0.741 -0.790 -6.139 1.00 0.00 C ATOM 27 NE ARG A 2 0.121 0.324 -5.401 1.00 0.00 N ATOM 28 CZ ARG A 2 -0.663 1.278 -5.916 1.00 0.00 C ATOM 29 NH1 ARG A 2 -0.973 1.279 -7.210 1.00 0.00 N ATOM 30 NH2 ARG A 2 -1.130 2.235 -5.121 1.00 0.00 N ATOM 0 H ARG A 2 4.608 1.746 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 2 2.555 1.043 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.553 -0.868 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.696 -1.736 -4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.807 -2.607 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.219 -1.772 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.294 -0.394 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.040 -1.437 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 2 0.308 0.373 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.612 0.547 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.572 2.012 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.890 2.237 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.729 2.968 -5.502 1.00 0.00 H new ATOM 44 N ALA A 3 3.170 -0.058 -1.832 1.00 0.00 N ATOM 45 CA ALA A 3 2.733 0.068 -0.449 1.00 0.00 C ATOM 46 C ALA A 3 3.990 0.244 0.419 1.00 0.00 C ATOM 47 O ALA A 3 5.039 -0.301 0.062 1.00 0.00 O ATOM 48 CB ALA A 3 1.963 -1.192 -0.030 1.00 0.00 C ATOM 0 H ALA A 3 4.105 -0.457 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 3 2.068 0.923 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.638 -1.092 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.092 -1.317 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.611 -2.063 -0.125 1.00 0.00 H new ATOM 54 N PRO A 4 3.927 0.994 1.533 1.00 0.00 N ATOM 55 CA PRO A 4 5.050 1.130 2.451 1.00 0.00 C ATOM 56 C PRO A 4 5.241 -0.151 3.285 1.00 0.00 C ATOM 57 O PRO A 4 4.439 -1.086 3.223 1.00 0.00 O ATOM 58 CB PRO A 4 4.699 2.351 3.313 1.00 0.00 C ATOM 59 CG PRO A 4 3.174 2.307 3.384 1.00 0.00 C ATOM 60 CD PRO A 4 2.781 1.757 2.011 1.00 0.00 C ATOM 0 HA PRO A 4 6.001 1.271 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.149 2.287 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.054 3.277 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.826 1.663 4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.749 3.295 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.896 1.125 2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.538 2.567 1.323 1.00 0.00 H new ATOM 68 N ILE A 5 6.279 -0.152 4.125 1.00 0.00 N ATOM 69 CA ILE A 5 6.556 -1.181 5.130 1.00 0.00 C ATOM 70 C ILE A 5 6.771 -0.467 6.483 1.00 0.00 C ATOM 71 O ILE A 5 7.875 -0.473 7.027 1.00 0.00 O ATOM 72 CB ILE A 5 7.705 -2.113 4.651 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.000 -1.372 4.226 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.200 -2.976 3.476 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.180 -2.312 3.942 1.00 0.00 C ATOM 0 H ILE A 5 6.976 0.593 4.124 1.00 0.00 H new ATOM 0 HA ILE A 5 5.721 -1.866 5.273 1.00 0.00 H new ATOM 0 HB ILE A 5 7.978 -2.725 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.794 -0.781 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.284 -0.673 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.001 -3.632 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.353 -3.578 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.888 -2.328 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.051 -1.725 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.413 -2.885 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.915 -2.994 3.134 1.00 0.00 H new ATOM 87 N PRO A 6 5.734 0.217 7.014 1.00 0.00 N ATOM 88 CA PRO A 6 5.889 1.150 8.125 1.00 0.00 C ATOM 89 C PRO A 6 6.183 0.462 9.462 1.00 0.00 C ATOM 90 O PRO A 6 7.070 0.895 10.199 1.00 0.00 O ATOM 91 CB PRO A 6 4.578 1.947 8.145 1.00 0.00 C ATOM 92 CG PRO A 6 3.538 0.959 7.619 1.00 0.00 C ATOM 93 CD PRO A 6 4.336 0.149 6.599 1.00 0.00 C ATOM 0 HA PRO A 6 6.758 1.793 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.333 2.287 9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.640 2.834 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.138 0.329 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.691 1.468 7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.991 -0.884 6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.209 0.557 5.596 1.00 0.00 H new ATOM 101 N GLU A 7 5.444 -0.604 9.770 1.00 0.00 N ATOM 102 CA GLU A 7 5.513 -1.347 11.030 1.00 0.00 C ATOM 103 C GLU A 7 4.906 -2.762 10.871 1.00 0.00 C ATOM 104 O GLU A 7 4.000 -3.132 11.623 1.00 0.00 O ATOM 105 CB GLU A 7 4.866 -0.518 12.168 1.00 0.00 C ATOM 106 CG GLU A 7 3.447 0.006 11.881 1.00 0.00 C ATOM 107 CD GLU A 7 2.863 0.735 13.106 1.00 0.00 C ATOM 108 OE1 GLU A 7 3.086 1.958 13.260 1.00 0.00 O ATOM 109 OE2 GLU A 7 2.155 0.101 13.921 1.00 0.00 O ATOM 0 H GLU A 7 4.754 -0.989 9.125 1.00 0.00 H new ATOM 0 HA GLU A 7 6.555 -1.503 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.833 -1.132 13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.511 0.333 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.473 0.685 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.798 -0.826 11.606 1.00 0.00 H new ATOM 116 N PRO A 8 5.332 -3.561 9.869 1.00 0.00 N ATOM 117 CA PRO A 8 4.761 -4.884 9.632 1.00 0.00 C ATOM 118 C PRO A 8 5.073 -5.852 10.778 1.00 0.00 C ATOM 119 O PRO A 8 6.039 -5.667 11.527 1.00 0.00 O ATOM 120 CB PRO A 8 5.372 -5.354 8.314 1.00 0.00 C ATOM 121 CG PRO A 8 6.738 -4.671 8.294 1.00 0.00 C ATOM 122 CD PRO A 8 6.448 -3.326 8.959 1.00 0.00 C ATOM 0 HA PRO A 8 3.673 -4.847 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.465 -6.439 8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.762 -5.058 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.485 -5.243 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.115 -4.548 7.279 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.322 -2.961 9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.194 -2.570 8.216 1.00 0.00 H new ATOM 130 N LYS A 9 4.288 -6.928 10.876 1.00 0.00 N ATOM 131 CA LYS A 9 4.419 -7.964 11.899 1.00 0.00 C ATOM 132 C LYS A 9 4.285 -9.339 11.235 1.00 0.00 C ATOM 133 O LYS A 9 3.607 -9.452 10.212 1.00 0.00 O ATOM 134 CB LYS A 9 3.311 -7.805 12.961 1.00 0.00 C ATOM 135 CG LYS A 9 3.353 -6.500 13.779 1.00 0.00 C ATOM 136 CD LYS A 9 4.589 -6.322 14.677 1.00 0.00 C ATOM 137 CE LYS A 9 4.656 -7.381 15.789 1.00 0.00 C ATOM 138 NZ LYS A 9 5.802 -7.158 16.708 1.00 0.00 N ATOM 0 H LYS A 9 3.522 -7.106 10.226 1.00 0.00 H new ATOM 0 HA LYS A 9 5.392 -7.871 12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.344 -7.869 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.371 -8.647 13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.302 -5.657 13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.461 -6.455 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.491 -6.380 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.571 -5.328 15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.727 -7.366 16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.739 -8.371 15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.807 -7.895 17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.691 -7.198 16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.711 -6.224 17.157 1.00 0.00 H new ATOM 152 N PRO A 10 4.907 -10.392 11.791 1.00 0.00 N ATOM 153 CA PRO A 10 4.660 -11.766 11.376 1.00 0.00 C ATOM 154 C PRO A 10 3.155 -12.059 11.265 1.00 0.00 C ATOM 155 O PRO A 10 2.350 -11.544 12.044 1.00 0.00 O ATOM 156 CB PRO A 10 5.376 -12.624 12.424 1.00 0.00 C ATOM 157 CG PRO A 10 6.547 -11.742 12.840 1.00 0.00 C ATOM 158 CD PRO A 10 5.917 -10.353 12.838 1.00 0.00 C ATOM 0 HA PRO A 10 5.041 -11.981 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.726 -12.858 13.267 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.713 -13.574 12.008 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.933 -12.013 13.823 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.380 -11.813 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.472 -10.121 13.806 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.662 -9.583 12.637 1.00 0.00 H new ATOM 166 N GLY A 11 2.774 -12.869 10.278 1.00 0.00 N ATOM 167 CA GLY A 11 1.395 -13.111 9.881 1.00 0.00 C ATOM 168 C GLY A 11 0.938 -12.164 8.766 1.00 0.00 C ATOM 169 O GLY A 11 -0.149 -12.362 8.219 1.00 0.00 O ATOM 0 H GLY A 11 3.445 -13.392 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.292 -14.142 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.743 -12.991 10.747 1.00 0.00 H new ATOM 173 N ASP A 12 1.707 -11.122 8.430 1.00 0.00 N ATOM 174 CA ASP A 12 1.353 -10.183 7.363 1.00 0.00 C ATOM 175 C ASP A 12 1.617 -10.790 5.989 1.00 0.00 C ATOM 176 O ASP A 12 2.553 -11.577 5.805 1.00 0.00 O ATOM 177 CB ASP A 12 2.090 -8.842 7.508 1.00 0.00 C ATOM 178 CG ASP A 12 1.516 -7.933 8.609 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.368 -8.162 9.067 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.181 -6.930 8.952 1.00 0.00 O ATOM 0 H ASP A 12 2.591 -10.907 8.891 1.00 0.00 H new ATOM 0 HA ASP A 12 0.285 -9.984 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.141 -9.037 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.052 -8.312 6.556 1.00 0.00 H new ATOM 185 N LEU A 13 0.786 -10.397 5.019 1.00 0.00 N ATOM 186 CA LEU A 13 0.934 -10.765 3.620 1.00 0.00 C ATOM 187 C LEU A 13 2.093 -9.976 3.024 1.00 0.00 C ATOM 188 O LEU A 13 2.210 -8.770 3.262 1.00 0.00 O ATOM 189 CB LEU A 13 -0.322 -10.419 2.795 1.00 0.00 C ATOM 190 CG LEU A 13 -1.630 -11.190 3.060 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.568 -11.006 1.867 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.378 -12.682 3.281 1.00 0.00 C ATOM 0 H LEU A 13 -0.023 -9.802 5.195 1.00 0.00 H new ATOM 0 HA LEU A 13 1.102 -11.841 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.530 -9.359 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.070 -10.551 1.743 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.080 -10.790 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.496 -11.549 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.787 -9.946 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.091 -11.392 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.326 -13.188 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.906 -13.106 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.723 -12.817 4.141 1.00 0.00 H new ATOM 204 N ILE A 14 2.873 -10.634 2.173 1.00 0.00 N ATOM 205 CA ILE A 14 3.971 -10.050 1.426 1.00 0.00 C ATOM 206 C ILE A 14 3.705 -10.359 -0.044 1.00 0.00 C ATOM 207 O ILE A 14 3.347 -11.489 -0.389 1.00 0.00 O ATOM 208 CB ILE A 14 5.315 -10.685 1.870 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.581 -10.642 3.393 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.498 -10.068 1.101 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.722 -9.232 3.972 1.00 0.00 C ATOM 0 H ILE A 14 2.749 -11.628 1.980 1.00 0.00 H new ATOM 0 HA ILE A 14 4.040 -8.976 1.598 1.00 0.00 H new ATOM 0 HB ILE A 14 5.222 -11.742 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.766 -11.152 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.492 -11.202 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.428 -10.531 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.367 -10.240 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.538 -8.996 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.907 -9.296 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.556 -8.722 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.804 -8.672 3.795 1.00 0.00 H new ATOM 223 N GLU A 15 3.951 -9.388 -0.914 1.00 0.00 N ATOM 224 CA GLU A 15 4.024 -9.611 -2.342 1.00 0.00 C ATOM 225 C GLU A 15 5.443 -9.256 -2.760 1.00 0.00 C ATOM 226 O GLU A 15 6.087 -8.386 -2.173 1.00 0.00 O ATOM 227 CB GLU A 15 2.949 -8.858 -3.134 1.00 0.00 C ATOM 228 CG GLU A 15 3.187 -7.346 -3.275 1.00 0.00 C ATOM 229 CD GLU A 15 2.137 -6.687 -4.195 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.622 -7.349 -5.131 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.879 -5.472 -4.019 1.00 0.00 O ATOM 0 H GLU A 15 4.106 -8.418 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 15 3.809 -10.654 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.880 -9.294 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.985 -9.015 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.153 -6.879 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.185 -7.170 -3.677 1.00 0.00 H new ATOM 238 N ILE A 16 5.919 -9.940 -3.783 1.00 0.00 N ATOM 239 CA ILE A 16 7.283 -9.968 -4.250 1.00 0.00 C ATOM 240 C ILE A 16 7.170 -9.500 -5.693 1.00 0.00 C ATOM 241 O ILE A 16 6.637 -10.222 -6.535 1.00 0.00 O ATOM 242 CB ILE A 16 7.820 -11.414 -4.140 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.683 -12.070 -2.746 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.265 -11.480 -4.653 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.628 -11.523 -1.674 1.00 0.00 C ATOM 0 H ILE A 16 5.312 -10.534 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 16 7.973 -9.344 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 16 7.171 -12.015 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.657 -11.944 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.856 -13.141 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.634 -12.502 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.295 -11.166 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.893 -10.819 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.454 -12.047 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.661 -11.674 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.443 -10.458 -1.535 1.00 0.00 H new ATOM 257 N PHE A 17 7.588 -8.275 -5.979 1.00 0.00 N ATOM 258 CA PHE A 17 7.637 -7.800 -7.355 1.00 0.00 C ATOM 259 C PHE A 17 8.846 -8.453 -8.021 1.00 0.00 C ATOM 260 O PHE A 17 9.934 -8.498 -7.441 1.00 0.00 O ATOM 261 CB PHE A 17 7.675 -6.264 -7.381 1.00 0.00 C ATOM 262 CG PHE A 17 6.322 -5.560 -7.413 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.114 -6.226 -7.104 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.274 -4.208 -7.807 1.00 0.00 C ATOM 265 CE1 PHE A 17 3.880 -5.569 -7.263 1.00 0.00 C ATOM 266 CE2 PHE A 17 5.042 -3.541 -7.928 1.00 0.00 C ATOM 267 CZ PHE A 17 3.843 -4.227 -7.674 1.00 0.00 C ATOM 0 H PHE A 17 7.896 -7.596 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 17 6.745 -8.080 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.220 -5.919 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.246 -5.950 -8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.138 -7.244 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.192 -3.679 -8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.959 -6.098 -7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.018 -2.501 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.895 -3.724 -7.795 1.00 0.00 H new ATOM 277 N ARG A 18 8.650 -8.993 -9.226 1.00 0.00 N ATOM 278 CA ARG A 18 9.637 -9.813 -9.920 1.00 0.00 C ATOM 279 C ARG A 18 9.848 -9.305 -11.349 1.00 0.00 C ATOM 280 O ARG A 18 9.065 -8.474 -11.814 1.00 0.00 O ATOM 281 CB ARG A 18 9.159 -11.277 -9.866 1.00 0.00 C ATOM 282 CG ARG A 18 9.358 -11.872 -8.466 1.00 0.00 C ATOM 283 CD ARG A 18 9.671 -13.365 -8.542 1.00 0.00 C ATOM 284 NE ARG A 18 10.263 -13.843 -7.282 1.00 0.00 N ATOM 285 CZ ARG A 18 10.066 -15.016 -6.678 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.264 -15.936 -7.211 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.687 -15.250 -5.526 1.00 0.00 N ATOM 0 H ARG A 18 7.786 -8.869 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 18 10.611 -9.749 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.105 -11.329 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.708 -11.869 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.171 -11.352 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.459 -11.716 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.758 -13.922 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.358 -13.555 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 18 10.901 -13.199 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.789 -15.749 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.124 -16.828 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.298 -14.540 -5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.552 -16.139 -5.045 1.00 0.00 H new ATOM 301 N PRO A 19 10.895 -9.778 -12.056 1.00 0.00 N ATOM 302 CA PRO A 19 11.294 -9.239 -13.358 1.00 0.00 C ATOM 303 C PRO A 19 10.197 -9.162 -14.432 1.00 0.00 C ATOM 304 O PRO A 19 10.306 -8.329 -15.336 1.00 0.00 O ATOM 305 CB PRO A 19 12.466 -10.111 -13.821 1.00 0.00 C ATOM 306 CG PRO A 19 13.109 -10.554 -12.510 1.00 0.00 C ATOM 307 CD PRO A 19 11.916 -10.709 -11.570 1.00 0.00 C ATOM 0 HA PRO A 19 11.556 -8.189 -13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.126 -10.962 -14.411 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.164 -9.551 -14.443 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.655 -11.490 -12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.819 -9.815 -12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.545 -11.734 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.197 -10.479 -10.542 1.00 0.00 H new ATOM 315 N PHE A 20 9.158 -10.003 -14.358 1.00 0.00 N ATOM 316 CA PHE A 20 8.098 -10.080 -15.370 1.00 0.00 C ATOM 317 C PHE A 20 6.694 -10.300 -14.777 1.00 0.00 C ATOM 318 O PHE A 20 5.730 -10.410 -15.538 1.00 0.00 O ATOM 319 CB PHE A 20 8.453 -11.193 -16.375 1.00 0.00 C ATOM 320 CG PHE A 20 8.475 -12.600 -15.795 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.658 -13.115 -15.227 1.00 0.00 C ATOM 322 CD2 PHE A 20 7.314 -13.398 -15.820 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.672 -14.408 -14.672 1.00 0.00 C ATOM 324 CE2 PHE A 20 7.330 -14.691 -15.266 1.00 0.00 C ATOM 325 CZ PHE A 20 8.508 -15.195 -14.690 1.00 0.00 C ATOM 0 H PHE A 20 9.029 -10.656 -13.585 1.00 0.00 H new ATOM 0 HA PHE A 20 8.049 -9.114 -15.872 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.734 -11.165 -17.194 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.432 -10.977 -16.803 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.556 -12.515 -15.218 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.408 -13.015 -16.266 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.579 -14.796 -14.232 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.436 -15.297 -15.284 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.519 -16.186 -14.261 1.00 0.00 H new ATOM 335 N TYR A 21 6.556 -10.394 -13.449 1.00 0.00 N ATOM 336 CA TYR A 21 5.314 -10.762 -12.764 1.00 0.00 C ATOM 337 C TYR A 21 5.412 -10.359 -11.286 1.00 0.00 C ATOM 338 O TYR A 21 6.317 -9.612 -10.906 1.00 0.00 O ATOM 339 CB TYR A 21 5.002 -12.267 -12.957 1.00 0.00 C ATOM 340 CG TYR A 21 5.760 -13.280 -12.103 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.167 -13.280 -12.031 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.039 -14.271 -11.407 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.841 -14.251 -11.270 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.701 -15.229 -10.622 1.00 0.00 C ATOM 345 CZ TYR A 21 7.111 -15.222 -10.547 1.00 0.00 C ATOM 346 OH TYR A 21 7.769 -16.136 -9.779 1.00 0.00 O ATOM 0 H TYR A 21 7.326 -10.211 -12.806 1.00 0.00 H new ATOM 0 HA TYR A 21 4.475 -10.221 -13.202 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.937 -12.411 -12.776 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.184 -12.512 -14.003 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.731 -12.529 -12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.962 -14.294 -11.478 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.921 -14.255 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.133 -15.969 -10.077 1.00 0.00 H new ATOM 0 HH TYR A 21 7.119 -16.730 -9.348 1.00 0.00 H new ATOM 356 N ARG A 22 4.511 -10.862 -10.436 1.00 0.00 N ATOM 357 CA ARG A 22 4.616 -10.735 -8.986 1.00 0.00 C ATOM 358 C ARG A 22 4.329 -12.087 -8.352 1.00 0.00 C ATOM 359 O ARG A 22 3.584 -12.887 -8.914 1.00 0.00 O ATOM 360 CB ARG A 22 3.733 -9.584 -8.450 1.00 0.00 C ATOM 361 CG ARG A 22 2.214 -9.665 -8.706 1.00 0.00 C ATOM 362 CD ARG A 22 1.452 -10.368 -7.575 1.00 0.00 C ATOM 363 NE ARG A 22 -0.012 -10.334 -7.785 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.874 -9.401 -7.357 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.491 -8.339 -6.647 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.157 -9.571 -7.639 1.00 0.00 N ATOM 0 H ARG A 22 3.683 -11.372 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 22 5.631 -10.452 -8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.888 -9.516 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.097 -8.653 -8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.818 -8.657 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.037 -10.196 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.784 -11.404 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.693 -9.891 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.411 -11.108 -8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.493 -8.212 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.182 -7.653 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.459 -10.391 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.843 -8.882 -7.330 1.00 0.00 H new ATOM 380 N HIS A 23 4.899 -12.327 -7.184 1.00 0.00 N ATOM 381 CA HIS A 23 4.781 -13.555 -6.405 1.00 0.00 C ATOM 382 C HIS A 23 4.325 -13.177 -4.991 1.00 0.00 C ATOM 383 O HIS A 23 4.247 -11.988 -4.678 1.00 0.00 O ATOM 384 CB HIS A 23 6.128 -14.301 -6.452 1.00 0.00 C ATOM 385 CG HIS A 23 6.168 -15.557 -5.623 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.215 -16.574 -5.677 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.098 -15.863 -4.671 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.608 -17.483 -4.768 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.734 -17.085 -4.154 1.00 0.00 N ATOM 0 H HIS A 23 5.490 -11.634 -6.725 1.00 0.00 H new ATOM 0 HA HIS A 23 4.036 -14.239 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.353 -14.555 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.915 -13.629 -6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.949 -15.265 -4.382 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.089 -18.407 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.234 -17.600 -3.429 1.00 0.00 H new ATOM 397 N TRP A 24 3.990 -14.145 -4.138 1.00 0.00 N ATOM 398 CA TRP A 24 3.392 -13.896 -2.830 1.00 0.00 C ATOM 399 C TRP A 24 3.983 -14.819 -1.781 1.00 0.00 C ATOM 400 O TRP A 24 4.354 -15.954 -2.078 1.00 0.00 O ATOM 401 CB TRP A 24 1.886 -14.121 -2.892 1.00 0.00 C ATOM 402 CG TRP A 24 1.122 -13.037 -3.564 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.939 -12.884 -4.889 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.398 -11.948 -2.934 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.128 -11.796 -5.116 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.277 -11.204 -3.942 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.236 -11.534 -1.601 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -1.140 -10.144 -3.633 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.619 -10.470 -1.280 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.335 -9.807 -2.285 1.00 0.00 C ATOM 0 H TRP A 24 4.129 -15.135 -4.340 1.00 0.00 H new ATOM 0 HA TRP A 24 3.603 -12.862 -2.556 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.694 -15.059 -3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.508 -14.237 -1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.363 -13.517 -5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.141 -11.468 -6.044 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.776 -12.041 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.645 -9.598 -4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.726 -10.160 -0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.040 -9.033 -2.021 1.00 0.00 H new ATOM 421 N ALA A 25 4.019 -14.324 -0.546 1.00 0.00 N ATOM 422 CA ALA A 25 4.576 -14.994 0.611 1.00 0.00 C ATOM 423 C ALA A 25 3.887 -14.450 1.874 1.00 0.00 C ATOM 424 O ALA A 25 3.114 -13.493 1.798 1.00 0.00 O ATOM 425 CB ALA A 25 6.086 -14.726 0.618 1.00 0.00 C ATOM 0 H ALA A 25 3.642 -13.403 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 25 4.411 -16.071 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.539 -15.218 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.529 -15.117 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.265 -13.652 0.678 1.00 0.00 H new ATOM 431 N ILE A 26 4.158 -15.034 3.040 1.00 0.00 N ATOM 432 CA ILE A 26 3.571 -14.609 4.306 1.00 0.00 C ATOM 433 C ILE A 26 4.669 -14.596 5.371 1.00 0.00 C ATOM 434 O ILE A 26 5.428 -15.558 5.481 1.00 0.00 O ATOM 435 CB ILE A 26 2.366 -15.525 4.609 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.382 -14.831 5.565 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.758 -16.929 5.095 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.059 -15.591 5.609 1.00 0.00 C ATOM 0 H ILE A 26 4.798 -15.823 3.131 1.00 0.00 H new ATOM 0 HA ILE A 26 3.177 -13.593 4.277 1.00 0.00 H new ATOM 0 HB ILE A 26 1.859 -15.693 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.812 -14.779 6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.209 -13.806 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.857 -17.512 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.356 -17.425 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.339 -16.847 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.627 -15.088 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.377 -15.620 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.235 -16.608 5.958 1.00 0.00 H new ATOM 450 N TYR A 27 4.799 -13.485 6.095 1.00 0.00 N ATOM 451 CA TYR A 27 5.866 -13.213 7.052 1.00 0.00 C ATOM 452 C TYR A 27 5.747 -14.177 8.235 1.00 0.00 C ATOM 453 O TYR A 27 4.674 -14.291 8.826 1.00 0.00 O ATOM 454 CB TYR A 27 5.728 -11.731 7.456 1.00 0.00 C ATOM 455 CG TYR A 27 6.773 -11.079 8.356 1.00 0.00 C ATOM 456 CD1 TYR A 27 7.978 -11.713 8.726 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.520 -9.772 8.818 1.00 0.00 C ATOM 458 CE1 TYR A 27 8.878 -11.076 9.595 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.424 -9.120 9.677 1.00 0.00 C ATOM 460 CZ TYR A 27 8.606 -9.780 10.082 1.00 0.00 C ATOM 461 OH TYR A 27 9.492 -9.180 10.926 1.00 0.00 O ATOM 0 H TYR A 27 4.132 -12.716 6.026 1.00 0.00 H new ATOM 0 HA TYR A 27 6.860 -13.373 6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.685 -11.148 6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.762 -11.619 7.949 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.209 -12.694 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.619 -9.263 8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.785 -11.581 9.893 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.215 -8.119 10.025 1.00 0.00 H new ATOM 0 HH TYR A 27 9.160 -8.291 11.170 1.00 0.00 H new ATOM 471 N VAL A 28 6.842 -14.838 8.610 1.00 0.00 N ATOM 472 CA VAL A 28 6.952 -15.672 9.807 1.00 0.00 C ATOM 473 C VAL A 28 8.325 -15.441 10.468 1.00 0.00 C ATOM 474 O VAL A 28 9.229 -14.850 9.864 1.00 0.00 O ATOM 475 CB VAL A 28 6.702 -17.166 9.473 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.312 -17.430 8.871 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.756 -17.764 8.528 1.00 0.00 C ATOM 0 H VAL A 28 7.707 -14.807 8.070 1.00 0.00 H new ATOM 0 HA VAL A 28 6.180 -15.385 10.521 1.00 0.00 H new ATOM 0 HB VAL A 28 6.772 -17.659 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.203 -18.494 8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.544 -17.119 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.203 -16.864 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.521 -18.811 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.755 -17.214 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.741 -17.692 8.989 1.00 0.00 H new ATOM 487 N GLY A 29 8.509 -15.940 11.694 1.00 0.00 N ATOM 488 CA GLY A 29 9.766 -15.802 12.422 1.00 0.00 C ATOM 489 C GLY A 29 10.091 -14.325 12.648 1.00 0.00 C ATOM 490 O GLY A 29 9.209 -13.548 13.015 1.00 0.00 O ATOM 0 H GLY A 29 7.789 -16.450 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.697 -16.317 13.380 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.572 -16.277 11.862 1.00 0.00 H new ATOM 494 N ASP A 30 11.348 -13.941 12.416 1.00 0.00 N ATOM 495 CA ASP A 30 11.839 -12.565 12.577 1.00 0.00 C ATOM 496 C ASP A 30 12.405 -12.012 11.255 1.00 0.00 C ATOM 497 O ASP A 30 13.006 -10.938 11.219 1.00 0.00 O ATOM 498 CB ASP A 30 12.873 -12.539 13.715 1.00 0.00 C ATOM 499 CG ASP A 30 13.323 -11.114 14.086 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.469 -10.274 14.450 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.547 -10.843 14.086 1.00 0.00 O ATOM 0 H ASP A 30 12.071 -14.590 12.104 1.00 0.00 H new ATOM 0 HA ASP A 30 11.011 -11.908 12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.448 -13.021 14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.744 -13.124 13.420 1.00 0.00 H new ATOM 506 N GLY A 31 12.211 -12.741 10.149 1.00 0.00 N ATOM 507 CA GLY A 31 12.672 -12.342 8.819 1.00 0.00 C ATOM 508 C GLY A 31 12.475 -13.419 7.752 1.00 0.00 C ATOM 509 O GLY A 31 13.109 -13.346 6.699 1.00 0.00 O ATOM 0 H GLY A 31 11.722 -13.636 10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.140 -11.440 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.730 -12.085 8.873 1.00 0.00 H new ATOM 513 N TYR A 32 11.639 -14.429 8.003 1.00 0.00 N ATOM 514 CA TYR A 32 11.395 -15.524 7.075 1.00 0.00 C ATOM 515 C TYR A 32 10.006 -15.365 6.475 1.00 0.00 C ATOM 516 O TYR A 32 9.191 -14.566 6.943 1.00 0.00 O ATOM 517 CB TYR A 32 11.547 -16.873 7.798 1.00 0.00 C ATOM 518 CG TYR A 32 12.988 -17.268 8.056 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.706 -16.671 9.109 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.617 -18.221 7.230 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.050 -17.016 9.335 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.962 -18.569 7.446 1.00 0.00 C ATOM 523 CZ TYR A 32 15.686 -17.965 8.502 1.00 0.00 C ATOM 524 OH TYR A 32 16.993 -18.287 8.725 1.00 0.00 O ATOM 0 H TYR A 32 11.107 -14.506 8.870 1.00 0.00 H new ATOM 0 HA TYR A 32 12.127 -15.501 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.016 -16.827 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.068 -17.650 7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.223 -15.945 9.746 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.063 -18.686 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.597 -16.556 10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.442 -19.296 6.807 1.00 0.00 H new ATOM 0 HH TYR A 32 17.282 -18.954 8.068 1.00 0.00 H new ATOM 534 N VAL A 33 9.718 -16.154 5.449 1.00 0.00 N ATOM 535 CA VAL A 33 8.393 -16.247 4.876 1.00 0.00 C ATOM 536 C VAL A 33 8.062 -17.690 4.520 1.00 0.00 C ATOM 537 O VAL A 33 8.953 -18.479 4.203 1.00 0.00 O ATOM 538 CB VAL A 33 8.251 -15.353 3.628 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.321 -13.854 3.923 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.272 -15.677 2.524 1.00 0.00 C ATOM 0 H VAL A 33 10.407 -16.750 4.991 1.00 0.00 H new ATOM 0 HA VAL A 33 7.688 -15.894 5.629 1.00 0.00 H new ATOM 0 HB VAL A 33 7.248 -15.590 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.213 -13.295 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.518 -13.580 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.282 -13.617 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.115 -15.010 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.282 -15.540 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.144 -16.710 2.202 1.00 0.00 H new ATOM 550 N VAL A 34 6.772 -18.013 4.543 1.00 0.00 N ATOM 551 CA VAL A 34 6.219 -19.229 3.966 1.00 0.00 C ATOM 552 C VAL A 34 5.635 -18.785 2.621 1.00 0.00 C ATOM 553 O VAL A 34 5.098 -17.679 2.512 1.00 0.00 O ATOM 554 CB VAL A 34 5.188 -19.840 4.938 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.279 -20.883 4.275 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.907 -20.481 6.132 1.00 0.00 C ATOM 0 H VAL A 34 6.065 -17.418 4.976 1.00 0.00 H new ATOM 0 HA VAL A 34 6.948 -20.023 3.804 1.00 0.00 H new ATOM 0 HB VAL A 34 4.552 -19.020 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.577 -21.274 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.727 -20.418 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.887 -21.699 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.171 -20.910 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.573 -21.267 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.488 -19.723 6.657 1.00 0.00 H new ATOM 566 N HIS A 35 5.768 -19.601 1.577 1.00 0.00 N ATOM 567 CA HIS A 35 5.342 -19.253 0.223 1.00 0.00 C ATOM 568 C HIS A 35 5.209 -20.511 -0.630 1.00 0.00 C ATOM 569 O HIS A 35 5.599 -21.596 -0.195 1.00 0.00 O ATOM 570 CB HIS A 35 6.333 -18.258 -0.410 1.00 0.00 C ATOM 571 CG HIS A 35 7.684 -18.797 -0.828 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.362 -18.402 -1.985 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.468 -19.678 -0.137 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.528 -19.069 -1.971 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.619 -19.839 -0.874 1.00 0.00 N ATOM 0 H HIS A 35 6.179 -20.532 1.648 1.00 0.00 H new ATOM 0 HA HIS A 35 4.365 -18.773 0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.858 -17.821 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.498 -17.448 0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.231 -20.154 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.287 -18.996 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.406 -20.440 -0.629 1.00 0.00 H new ATOM 583 N LEU A 36 4.662 -20.380 -1.842 1.00 0.00 N ATOM 584 CA LEU A 36 4.679 -21.463 -2.819 1.00 0.00 C ATOM 585 C LEU A 36 6.029 -21.436 -3.536 1.00 0.00 C ATOM 586 O LEU A 36 6.548 -20.363 -3.847 1.00 0.00 O ATOM 587 CB LEU A 36 3.533 -21.323 -3.844 1.00 0.00 C ATOM 588 CG LEU A 36 2.163 -21.899 -3.435 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.206 -23.396 -3.106 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.556 -21.159 -2.247 1.00 0.00 C ATOM 0 H LEU A 36 4.201 -19.530 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 36 4.535 -22.412 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.404 -20.264 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.843 -21.808 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 36 1.536 -21.757 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.209 -23.736 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.547 -23.951 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.893 -23.567 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.592 -21.602 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.225 -21.237 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.417 -20.109 -2.505 1.00 0.00 H new ATOM 602 N ALA A 37 6.560 -22.615 -3.848 1.00 0.00 N ATOM 603 CA ALA A 37 7.827 -22.836 -4.532 1.00 0.00 C ATOM 604 C ALA A 37 7.622 -23.918 -5.604 1.00 0.00 C ATOM 605 O ALA A 37 6.666 -24.694 -5.505 1.00 0.00 O ATOM 606 CB ALA A 37 8.869 -23.287 -3.500 1.00 0.00 C ATOM 0 H ALA A 37 6.090 -23.490 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 37 8.177 -21.922 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.824 -23.457 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.988 -22.514 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.537 -24.211 -3.028 1.00 0.00 H new ATOM 612 N PRO A 38 8.495 -24.002 -6.625 1.00 0.00 N ATOM 613 CA PRO A 38 8.478 -25.112 -7.572 1.00 0.00 C ATOM 614 C PRO A 38 8.791 -26.444 -6.864 1.00 0.00 C ATOM 615 O PRO A 38 9.396 -26.443 -5.788 1.00 0.00 O ATOM 616 CB PRO A 38 9.519 -24.755 -8.637 1.00 0.00 C ATOM 617 CG PRO A 38 10.482 -23.813 -7.919 1.00 0.00 C ATOM 618 CD PRO A 38 9.575 -23.075 -6.937 1.00 0.00 C ATOM 0 HA PRO A 38 7.497 -25.254 -8.025 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.032 -25.643 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.058 -24.272 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.273 -24.360 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.968 -23.127 -8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.121 -22.792 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.187 -22.156 -7.377 1.00 0.00 H new ATOM 626 N PRO A 39 8.418 -27.591 -7.462 1.00 0.00 N ATOM 627 CA PRO A 39 8.618 -28.900 -6.844 1.00 0.00 C ATOM 628 C PRO A 39 10.099 -29.304 -6.758 1.00 0.00 C ATOM 629 O PRO A 39 10.455 -30.095 -5.880 1.00 0.00 O ATOM 630 CB PRO A 39 7.818 -29.879 -7.712 1.00 0.00 C ATOM 631 CG PRO A 39 7.814 -29.214 -9.088 1.00 0.00 C ATOM 632 CD PRO A 39 7.736 -27.728 -8.742 1.00 0.00 C ATOM 0 HA PRO A 39 8.280 -28.894 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.286 -30.863 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.806 -30.019 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.714 -29.451 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.964 -29.535 -9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.216 -27.121 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.700 -27.395 -8.673 1.00 0.00 H new ATOM 640 N SER A 40 10.952 -28.757 -7.636 1.00 0.00 N ATOM 641 CA SER A 40 12.366 -29.112 -7.774 1.00 0.00 C ATOM 642 C SER A 40 12.569 -30.631 -7.966 1.00 0.00 C ATOM 643 O SER A 40 11.635 -31.350 -8.337 1.00 0.00 O ATOM 644 CB SER A 40 13.159 -28.492 -6.607 1.00 0.00 C ATOM 645 OG SER A 40 12.911 -27.095 -6.529 1.00 0.00 O ATOM 0 H SER A 40 10.663 -28.030 -8.291 1.00 0.00 H new ATOM 0 HA SER A 40 12.769 -28.684 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.875 -28.971 -5.670 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.225 -28.672 -6.747 1.00 0.00 H new ATOM 0 HG SER A 40 13.419 -26.714 -5.783 1.00 0.00 H new ATOM 651 N GLU A 41 13.800 -31.121 -7.782 1.00 0.00 N ATOM 652 CA GLU A 41 14.184 -32.514 -8.028 1.00 0.00 C ATOM 653 C GLU A 41 15.102 -33.000 -6.889 1.00 0.00 C ATOM 654 O GLU A 41 16.040 -33.767 -7.101 1.00 0.00 O ATOM 655 CB GLU A 41 14.808 -32.611 -9.435 1.00 0.00 C ATOM 656 CG GLU A 41 14.759 -34.034 -10.015 1.00 0.00 C ATOM 657 CD GLU A 41 15.343 -34.083 -11.439 1.00 0.00 C ATOM 658 OE1 GLU A 41 14.585 -33.905 -12.420 1.00 0.00 O ATOM 659 OE2 GLU A 41 16.561 -34.328 -11.599 1.00 0.00 O ATOM 0 H GLU A 41 14.574 -30.546 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 41 13.323 -33.182 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.283 -31.932 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.845 -32.278 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.317 -34.711 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.728 -34.386 -10.031 1.00 0.00 H new ATOM 666 N VAL A 42 14.857 -32.491 -5.672 1.00 0.00 N ATOM 667 CA VAL A 42 15.631 -32.675 -4.434 1.00 0.00 C ATOM 668 C VAL A 42 16.991 -31.963 -4.484 1.00 0.00 C ATOM 669 O VAL A 42 17.384 -31.326 -3.504 1.00 0.00 O ATOM 670 CB VAL A 42 15.753 -34.170 -4.038 1.00 0.00 C ATOM 671 CG1 VAL A 42 16.269 -34.332 -2.599 1.00 0.00 C ATOM 672 CG2 VAL A 42 14.411 -34.923 -4.132 1.00 0.00 C ATOM 0 H VAL A 42 14.047 -31.891 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 42 15.066 -32.192 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 42 16.459 -34.596 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.342 -35.392 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.253 -33.871 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.579 -33.848 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.557 -35.964 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.686 -34.459 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.040 -34.879 -5.156 1.00 0.00 H new ATOM 682 N ALA A 43 17.686 -32.020 -5.618 1.00 0.00 N ATOM 683 CA ALA A 43 18.993 -31.427 -5.846 1.00 0.00 C ATOM 684 C ALA A 43 19.148 -31.085 -7.332 1.00 0.00 C ATOM 685 O ALA A 43 18.348 -31.518 -8.167 1.00 0.00 O ATOM 686 CB ALA A 43 20.073 -32.422 -5.397 1.00 0.00 C ATOM 0 H ALA A 43 17.331 -32.506 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 43 19.098 -30.507 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 21.059 -31.988 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 43 19.947 -32.642 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 43 19.980 -33.343 -5.972 1.00 0.00 H new ATOM 692 N GLY A 44 20.192 -30.329 -7.666 1.00 0.00 N ATOM 693 CA GLY A 44 20.534 -29.938 -9.026 1.00 0.00 C ATOM 694 C GLY A 44 21.778 -29.052 -9.015 1.00 0.00 C ATOM 695 O GLY A 44 22.305 -28.725 -7.947 1.00 0.00 O ATOM 0 H GLY A 44 20.843 -29.961 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 44 20.714 -30.824 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 44 19.700 -29.403 -9.481 1.00 0.00 H new ATOM 699 N ALA A 45 22.245 -28.656 -10.203 1.00 0.00 N ATOM 700 CA ALA A 45 23.424 -27.804 -10.360 1.00 0.00 C ATOM 701 C ALA A 45 23.189 -26.373 -9.846 1.00 0.00 C ATOM 702 O ALA A 45 24.154 -25.662 -9.556 1.00 0.00 O ATOM 703 CB ALA A 45 23.834 -27.773 -11.838 1.00 0.00 C ATOM 0 H ALA A 45 21.811 -28.920 -11.088 1.00 0.00 H new ATOM 0 HA ALA A 45 24.225 -28.230 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 45 24.712 -27.139 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 45 24.068 -28.784 -12.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 23.014 -27.374 -12.435 1.00 0.00 H new ATOM 709 N GLY A 46 21.927 -25.942 -9.742 1.00 0.00 N ATOM 710 CA GLY A 46 21.539 -24.617 -9.264 1.00 0.00 C ATOM 711 C GLY A 46 20.123 -24.247 -9.708 1.00 0.00 C ATOM 712 O GLY A 46 19.433 -23.501 -9.009 1.00 0.00 O ATOM 0 H GLY A 46 21.128 -26.523 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.597 -24.591 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.243 -23.874 -9.639 1.00 0.00 H new ATOM 716 N ALA A 47 19.672 -24.799 -10.839 1.00 0.00 N ATOM 717 CA ALA A 47 18.325 -24.665 -11.378 1.00 0.00 C ATOM 718 C ALA A 47 17.957 -25.962 -12.111 1.00 0.00 C ATOM 719 O ALA A 47 18.808 -26.839 -12.297 1.00 0.00 O ATOM 720 CB ALA A 47 18.273 -23.459 -12.330 1.00 0.00 C ATOM 0 H ALA A 47 20.270 -25.379 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 47 17.607 -24.496 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.266 -23.358 -12.734 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.538 -22.553 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 47 18.978 -23.610 -13.147 1.00 0.00 H new ATOM 726 N ALA A 48 16.702 -26.067 -12.545 1.00 0.00 N ATOM 727 CA ALA A 48 16.163 -27.166 -13.334 1.00 0.00 C ATOM 728 C ALA A 48 15.079 -26.608 -14.257 1.00 0.00 C ATOM 729 O ALA A 48 14.681 -25.448 -14.127 1.00 0.00 O ATOM 730 CB ALA A 48 15.555 -28.229 -12.402 1.00 0.00 C ATOM 0 H ALA A 48 16.003 -25.352 -12.345 1.00 0.00 H new ATOM 0 HA ALA A 48 16.956 -27.629 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.153 -29.049 -12.998 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.326 -28.611 -11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.754 -27.782 -11.814 1.00 0.00 H new ATOM 736 N SER A 49 14.519 -27.460 -15.114 1.00 0.00 N ATOM 737 CA SER A 49 13.384 -27.138 -15.973 1.00 0.00 C ATOM 738 C SER A 49 12.138 -26.684 -15.192 1.00 0.00 C ATOM 739 O SER A 49 11.204 -26.150 -15.791 1.00 0.00 O ATOM 740 CB SER A 49 13.065 -28.350 -16.855 1.00 0.00 C ATOM 741 OG SER A 49 14.256 -28.921 -17.385 1.00 0.00 O ATOM 0 H SER A 49 14.851 -28.417 -15.232 1.00 0.00 H new ATOM 0 HA SER A 49 13.669 -26.287 -16.591 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.527 -29.097 -16.272 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.408 -28.048 -17.670 1.00 0.00 H new ATOM 0 HG SER A 49 14.028 -29.694 -17.943 1.00 0.00 H new ATOM 747 N VAL A 50 12.107 -26.848 -13.863 1.00 0.00 N ATOM 748 CA VAL A 50 11.046 -26.285 -13.038 1.00 0.00 C ATOM 749 C VAL A 50 11.042 -24.748 -13.124 1.00 0.00 C ATOM 750 O VAL A 50 9.974 -24.139 -13.156 1.00 0.00 O ATOM 751 CB VAL A 50 11.085 -26.828 -11.592 1.00 0.00 C ATOM 752 CG1 VAL A 50 11.210 -28.361 -11.573 1.00 0.00 C ATOM 753 CG2 VAL A 50 12.201 -26.229 -10.726 1.00 0.00 C ATOM 0 H VAL A 50 12.811 -27.369 -13.340 1.00 0.00 H new ATOM 0 HA VAL A 50 10.088 -26.617 -13.438 1.00 0.00 H new ATOM 0 HB VAL A 50 10.135 -26.519 -11.156 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.235 -28.711 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.355 -28.802 -12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.129 -28.657 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.159 -26.663 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.169 -26.449 -11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.069 -25.149 -10.659 1.00 0.00 H new ATOM 763 N MET A 51 12.218 -24.115 -13.247 1.00 0.00 N ATOM 764 CA MET A 51 12.340 -22.673 -13.468 1.00 0.00 C ATOM 765 C MET A 51 11.846 -22.315 -14.875 1.00 0.00 C ATOM 766 O MET A 51 11.236 -21.262 -15.064 1.00 0.00 O ATOM 767 CB MET A 51 13.791 -22.190 -13.284 1.00 0.00 C ATOM 768 CG MET A 51 14.272 -22.202 -11.827 1.00 0.00 C ATOM 769 SD MET A 51 14.686 -23.827 -11.133 1.00 0.00 S ATOM 770 CE MET A 51 15.115 -23.337 -9.441 1.00 0.00 C ATOM 0 H MET A 51 13.116 -24.596 -13.195 1.00 0.00 H new ATOM 0 HA MET A 51 11.723 -22.169 -12.724 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.451 -22.821 -13.879 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.879 -21.177 -13.677 1.00 0.00 H new ATOM 0 HG2 MET A 51 15.152 -21.563 -11.751 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.497 -21.752 -11.207 1.00 0.00 H new ATOM 0 HE1 MET A 51 15.397 -24.220 -8.867 1.00 0.00 H new ATOM 0 HE2 MET A 51 15.951 -22.638 -9.466 1.00 0.00 H new ATOM 0 HE3 MET A 51 14.255 -22.859 -8.972 1.00 0.00 H new ATOM 780 N SER A 52 12.042 -23.211 -15.847 1.00 0.00 N ATOM 781 CA SER A 52 11.474 -23.127 -17.191 1.00 0.00 C ATOM 782 C SER A 52 9.959 -23.423 -17.209 1.00 0.00 C ATOM 783 O SER A 52 9.365 -23.485 -18.286 1.00 0.00 O ATOM 784 CB SER A 52 12.232 -24.088 -18.122 1.00 0.00 C ATOM 785 OG SER A 52 13.634 -24.045 -17.888 1.00 0.00 O ATOM 0 H SER A 52 12.620 -24.041 -15.713 1.00 0.00 H new ATOM 0 HA SER A 52 11.591 -22.103 -17.545 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.868 -25.104 -17.971 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.027 -23.827 -19.160 1.00 0.00 H new ATOM 0 HG SER A 52 14.086 -24.668 -18.494 1.00 0.00 H new ATOM 791 N ALA A 53 9.329 -23.600 -16.036 1.00 0.00 N ATOM 792 CA ALA A 53 7.913 -23.888 -15.843 1.00 0.00 C ATOM 793 C ALA A 53 7.449 -25.160 -16.574 1.00 0.00 C ATOM 794 O ALA A 53 6.279 -25.265 -16.951 1.00 0.00 O ATOM 795 CB ALA A 53 7.082 -22.637 -16.164 1.00 0.00 C ATOM 0 H ALA A 53 9.831 -23.541 -15.150 1.00 0.00 H new ATOM 0 HA ALA A 53 7.747 -24.127 -14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.024 -22.856 -16.019 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.379 -21.823 -15.502 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.253 -22.343 -17.200 1.00 0.00 H new ATOM 801 N LEU A 54 8.353 -26.131 -16.769 1.00 0.00 N ATOM 802 CA LEU A 54 8.039 -27.411 -17.406 1.00 0.00 C ATOM 803 C LEU A 54 7.173 -28.307 -16.503 1.00 0.00 C ATOM 804 O LEU A 54 6.566 -29.263 -16.985 1.00 0.00 O ATOM 805 CB LEU A 54 9.356 -28.115 -17.792 1.00 0.00 C ATOM 806 CG LEU A 54 9.202 -29.387 -18.657 1.00 0.00 C ATOM 807 CD1 LEU A 54 8.468 -29.120 -19.978 1.00 0.00 C ATOM 808 CD2 LEU A 54 10.585 -29.968 -18.970 1.00 0.00 C ATOM 0 H LEU A 54 9.329 -26.046 -16.486 1.00 0.00 H new ATOM 0 HA LEU A 54 7.451 -27.220 -18.304 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.983 -27.404 -18.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.887 -28.380 -16.878 1.00 0.00 H new ATOM 0 HG LEU A 54 8.604 -30.092 -18.080 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.389 -30.048 -20.544 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.469 -28.736 -19.768 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.024 -28.386 -20.561 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.473 -30.865 -19.580 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.175 -29.230 -19.514 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.092 -30.223 -18.039 1.00 0.00 H new ATOM 820 N THR A 55 7.091 -28.007 -15.206 1.00 0.00 N ATOM 821 CA THR A 55 6.269 -28.705 -14.234 1.00 0.00 C ATOM 822 C THR A 55 5.022 -27.848 -14.044 1.00 0.00 C ATOM 823 O THR A 55 5.074 -26.625 -14.231 1.00 0.00 O ATOM 824 CB THR A 55 7.073 -28.895 -12.931 1.00 0.00 C ATOM 825 OG1 THR A 55 7.837 -27.744 -12.601 1.00 0.00 O ATOM 826 CG2 THR A 55 8.052 -30.064 -13.074 1.00 0.00 C ATOM 0 H THR A 55 7.620 -27.238 -14.794 1.00 0.00 H new ATOM 0 HA THR A 55 5.976 -29.703 -14.559 1.00 0.00 H new ATOM 0 HB THR A 55 6.342 -29.085 -12.145 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.329 -27.906 -11.769 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.612 -30.185 -12.147 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.498 -30.979 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.744 -29.861 -13.892 1.00 0.00 H new ATOM 834 N ASP A 56 3.896 -28.462 -13.673 1.00 0.00 N ATOM 835 CA ASP A 56 2.607 -27.767 -13.688 1.00 0.00 C ATOM 836 C ASP A 56 1.947 -27.717 -12.310 1.00 0.00 C ATOM 837 O ASP A 56 0.734 -27.573 -12.175 1.00 0.00 O ATOM 838 CB ASP A 56 1.697 -28.347 -14.779 1.00 0.00 C ATOM 839 CG ASP A 56 0.770 -27.268 -15.355 1.00 0.00 C ATOM 840 OD1 ASP A 56 1.311 -26.295 -15.929 1.00 0.00 O ATOM 841 OD2 ASP A 56 -0.472 -27.416 -15.302 1.00 0.00 O ATOM 0 H ASP A 56 3.850 -29.432 -13.361 1.00 0.00 H new ATOM 0 HA ASP A 56 2.791 -26.723 -13.943 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.306 -28.772 -15.577 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.101 -29.160 -14.365 1.00 0.00 H new ATOM 846 N LYS A 57 2.778 -27.848 -11.277 1.00 0.00 N ATOM 847 CA LYS A 57 2.421 -27.940 -9.869 1.00 0.00 C ATOM 848 C LYS A 57 3.267 -26.960 -9.053 1.00 0.00 C ATOM 849 O LYS A 57 4.124 -26.268 -9.606 1.00 0.00 O ATOM 850 CB LYS A 57 2.618 -29.399 -9.428 1.00 0.00 C ATOM 851 CG LYS A 57 4.093 -29.839 -9.407 1.00 0.00 C ATOM 852 CD LYS A 57 4.259 -31.321 -9.061 1.00 0.00 C ATOM 853 CE LYS A 57 3.974 -31.614 -7.577 1.00 0.00 C ATOM 854 NZ LYS A 57 4.222 -33.038 -7.241 1.00 0.00 N ATOM 0 H LYS A 57 3.787 -27.896 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 57 1.380 -27.664 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.194 -29.530 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.062 -30.052 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.540 -29.645 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.638 -29.237 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.586 -31.913 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.274 -31.636 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.602 -30.978 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.939 -31.361 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.168 -33.166 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.505 -33.633 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.167 -33.314 -7.575 1.00 0.00 H new ATOM 868 N ALA A 58 3.064 -26.944 -7.739 1.00 0.00 N ATOM 869 CA ALA A 58 3.844 -26.177 -6.779 1.00 0.00 C ATOM 870 C ALA A 58 3.834 -26.924 -5.453 1.00 0.00 C ATOM 871 O ALA A 58 3.129 -27.922 -5.301 1.00 0.00 O ATOM 872 CB ALA A 58 3.239 -24.771 -6.628 1.00 0.00 C ATOM 0 H ALA A 58 2.322 -27.487 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 58 4.873 -26.063 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.824 -24.198 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.252 -24.264 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.211 -24.853 -6.275 1.00 0.00 H new ATOM 878 N ILE A 59 4.599 -26.441 -4.482 1.00 0.00 N ATOM 879 CA ILE A 59 4.655 -26.987 -3.136 1.00 0.00 C ATOM 880 C ILE A 59 4.783 -25.807 -2.166 1.00 0.00 C ATOM 881 O ILE A 59 5.275 -24.749 -2.560 1.00 0.00 O ATOM 882 CB ILE A 59 5.814 -28.008 -3.026 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.207 -27.345 -3.018 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.733 -29.111 -4.106 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.320 -28.356 -2.738 1.00 0.00 C ATOM 0 H ILE A 59 5.213 -25.637 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 59 3.751 -27.541 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 59 5.684 -28.485 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.386 -26.866 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.231 -26.560 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.568 -29.801 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.795 -29.655 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.779 -28.656 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.284 -27.847 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.157 -28.817 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.314 -29.126 -3.509 1.00 0.00 H new ATOM 897 N VAL A 60 4.352 -25.953 -0.915 1.00 0.00 N ATOM 898 CA VAL A 60 4.517 -24.916 0.095 1.00 0.00 C ATOM 899 C VAL A 60 5.928 -25.084 0.664 1.00 0.00 C ATOM 900 O VAL A 60 6.366 -26.207 0.926 1.00 0.00 O ATOM 901 CB VAL A 60 3.426 -25.044 1.180 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.477 -23.858 2.157 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.005 -25.093 0.587 1.00 0.00 C ATOM 0 H VAL A 60 3.880 -26.791 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 60 4.404 -23.917 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 60 3.634 -25.982 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.698 -23.974 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.452 -23.830 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.318 -22.929 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.277 -25.183 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.813 -24.178 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.918 -25.952 -0.078 1.00 0.00 H new ATOM 913 N LYS A 61 6.639 -23.983 0.891 1.00 0.00 N ATOM 914 CA LYS A 61 8.027 -23.962 1.352 1.00 0.00 C ATOM 915 C LYS A 61 8.207 -22.793 2.322 1.00 0.00 C ATOM 916 O LYS A 61 7.336 -21.925 2.405 1.00 0.00 O ATOM 917 CB LYS A 61 8.939 -23.813 0.119 1.00 0.00 C ATOM 918 CG LYS A 61 10.308 -24.486 0.291 1.00 0.00 C ATOM 919 CD LYS A 61 11.278 -24.030 -0.806 1.00 0.00 C ATOM 920 CE LYS A 61 12.520 -24.925 -0.824 1.00 0.00 C ATOM 921 NZ LYS A 61 13.662 -24.289 -1.521 1.00 0.00 N ATOM 0 H LYS A 61 6.253 -23.049 0.755 1.00 0.00 H new ATOM 0 HA LYS A 61 8.287 -24.882 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.438 -24.242 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.087 -22.753 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.718 -24.242 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.193 -25.569 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.782 -24.065 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.571 -22.994 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.809 -25.162 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.278 -25.868 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.507 -24.887 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.435 -24.178 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.847 -23.355 -1.103 1.00 0.00 H new ATOM 935 N LYS A 62 9.336 -22.743 3.028 1.00 0.00 N ATOM 936 CA LYS A 62 9.728 -21.630 3.890 1.00 0.00 C ATOM 937 C LYS A 62 11.144 -21.227 3.491 1.00 0.00 C ATOM 938 O LYS A 62 11.964 -22.097 3.191 1.00 0.00 O ATOM 939 CB LYS A 62 9.617 -22.053 5.369 1.00 0.00 C ATOM 940 CG LYS A 62 10.082 -20.970 6.358 1.00 0.00 C ATOM 941 CD LYS A 62 9.939 -21.440 7.812 1.00 0.00 C ATOM 942 CE LYS A 62 10.589 -20.422 8.760 1.00 0.00 C ATOM 943 NZ LYS A 62 10.465 -20.824 10.183 1.00 0.00 N ATOM 0 H LYS A 62 10.022 -23.497 3.015 1.00 0.00 H new ATOM 0 HA LYS A 62 9.071 -20.768 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.581 -22.311 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.210 -22.954 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.123 -20.715 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.497 -20.063 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.885 -21.560 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.409 -22.416 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.643 -20.312 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.124 -19.447 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.157 -20.297 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.504 -20.613 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.647 -21.844 10.273 1.00 0.00 H new ATOM 957 N GLU A 63 11.428 -19.928 3.473 1.00 0.00 N ATOM 958 CA GLU A 63 12.696 -19.346 3.048 1.00 0.00 C ATOM 959 C GLU A 63 12.891 -18.035 3.810 1.00 0.00 C ATOM 960 O GLU A 63 11.932 -17.469 4.339 1.00 0.00 O ATOM 961 CB GLU A 63 12.668 -19.043 1.536 1.00 0.00 C ATOM 962 CG GLU A 63 12.793 -20.256 0.600 1.00 0.00 C ATOM 963 CD GLU A 63 14.137 -21.012 0.674 1.00 0.00 C ATOM 964 OE1 GLU A 63 15.064 -20.611 1.417 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.277 -22.021 -0.054 1.00 0.00 O ATOM 0 H GLU A 63 10.752 -19.223 3.767 1.00 0.00 H new ATOM 0 HA GLU A 63 13.507 -20.045 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.735 -18.528 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.479 -18.350 1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.989 -20.955 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.640 -19.920 -0.426 1.00 0.00 H new ATOM 972 N LEU A 64 14.125 -17.534 3.875 1.00 0.00 N ATOM 973 CA LEU A 64 14.401 -16.190 4.378 1.00 0.00 C ATOM 974 C LEU A 64 13.775 -15.185 3.409 1.00 0.00 C ATOM 975 O LEU A 64 13.920 -15.349 2.195 1.00 0.00 O ATOM 976 CB LEU A 64 15.925 -15.995 4.467 1.00 0.00 C ATOM 977 CG LEU A 64 16.350 -14.679 5.147 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.148 -14.737 6.665 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.828 -14.398 4.853 1.00 0.00 C ATOM 0 H LEU A 64 14.957 -18.046 3.582 1.00 0.00 H new ATOM 0 HA LEU A 64 13.977 -16.043 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.357 -16.832 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.344 -16.024 3.461 1.00 0.00 H new ATOM 0 HG LEU A 64 15.724 -13.882 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.459 -13.792 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.095 -14.913 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.746 -15.548 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.124 -13.467 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.437 -15.216 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.975 -14.311 3.776 1.00 0.00 H new ATOM 991 N LEU A 65 13.119 -14.129 3.911 1.00 0.00 N ATOM 992 CA LEU A 65 12.414 -13.165 3.060 1.00 0.00 C ATOM 993 C LEU A 65 13.346 -12.597 1.999 1.00 0.00 C ATOM 994 O LEU A 65 12.968 -12.513 0.834 1.00 0.00 O ATOM 995 CB LEU A 65 11.794 -12.031 3.900 1.00 0.00 C ATOM 996 CG LEU A 65 10.937 -11.063 3.045 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.800 -10.469 3.890 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.732 -9.864 2.499 1.00 0.00 C ATOM 0 H LEU A 65 13.063 -13.922 4.908 1.00 0.00 H new ATOM 0 HA LEU A 65 11.604 -13.694 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.175 -12.462 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.589 -11.470 4.392 1.00 0.00 H new ATOM 0 HG LEU A 65 10.570 -11.665 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.207 -9.791 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.164 -11.273 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.221 -9.921 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.072 -9.227 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.142 -9.291 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.546 -10.223 1.869 1.00 0.00 H new ATOM 1010 N TYR A 66 14.563 -12.226 2.392 1.00 0.00 N ATOM 1011 CA TYR A 66 15.506 -11.554 1.510 1.00 0.00 C ATOM 1012 C TYR A 66 15.990 -12.458 0.369 1.00 0.00 C ATOM 1013 O TYR A 66 16.442 -11.939 -0.651 1.00 0.00 O ATOM 1014 CB TYR A 66 16.668 -10.998 2.343 1.00 0.00 C ATOM 1015 CG TYR A 66 16.202 -10.100 3.480 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.573 -8.872 3.192 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.331 -10.519 4.819 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.073 -8.069 4.232 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.835 -9.721 5.865 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.201 -8.490 5.576 1.00 0.00 C ATOM 1021 OH TYR A 66 14.710 -7.704 6.576 1.00 0.00 O ATOM 0 H TYR A 66 14.921 -12.385 3.334 1.00 0.00 H new ATOM 0 HA TYR A 66 14.994 -10.725 1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.244 -11.827 2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.338 -10.435 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.475 -8.546 2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 66 16.814 -11.459 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.591 -7.130 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 66 15.938 -10.048 6.889 1.00 0.00 H new ATOM 0 HH TYR A 66 14.876 -8.134 7.441 1.00 0.00 H new ATOM 1031 N ASP A 67 15.868 -13.787 0.493 1.00 0.00 N ATOM 1032 CA ASP A 67 16.112 -14.689 -0.631 1.00 0.00 C ATOM 1033 C ASP A 67 14.939 -14.625 -1.608 1.00 0.00 C ATOM 1034 O ASP A 67 15.149 -14.435 -2.806 1.00 0.00 O ATOM 1035 CB ASP A 67 16.313 -16.133 -0.156 1.00 0.00 C ATOM 1036 CG ASP A 67 16.526 -17.061 -1.363 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.648 -17.082 -1.919 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.582 -17.779 -1.756 1.00 0.00 O ATOM 0 H ASP A 67 15.603 -14.256 1.359 1.00 0.00 H new ATOM 0 HA ASP A 67 17.026 -14.367 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.173 -16.188 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.445 -16.460 0.416 1.00 0.00 H new ATOM 1043 N VAL A 68 13.704 -14.711 -1.100 1.00 0.00 N ATOM 1044 CA VAL A 68 12.490 -14.683 -1.916 1.00 0.00 C ATOM 1045 C VAL A 68 12.380 -13.345 -2.658 1.00 0.00 C ATOM 1046 O VAL A 68 12.076 -13.325 -3.853 1.00 0.00 O ATOM 1047 CB VAL A 68 11.247 -14.967 -1.035 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.978 -15.103 -1.889 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.418 -16.287 -0.265 1.00 0.00 C ATOM 0 H VAL A 68 13.520 -14.803 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 68 12.542 -15.469 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 68 11.151 -14.126 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.124 -15.302 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.809 -14.177 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.100 -15.926 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.535 -16.468 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.544 -17.107 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.297 -16.223 0.376 1.00 0.00 H new ATOM 1059 N ALA A 69 12.663 -12.239 -1.964 1.00 0.00 N ATOM 1060 CA ALA A 69 12.604 -10.885 -2.492 1.00 0.00 C ATOM 1061 C ALA A 69 13.808 -10.527 -3.371 1.00 0.00 C ATOM 1062 O ALA A 69 13.805 -9.461 -3.988 1.00 0.00 O ATOM 1063 CB ALA A 69 12.496 -9.903 -1.322 1.00 0.00 C ATOM 0 H ALA A 69 12.949 -12.270 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 69 11.726 -10.820 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.451 -8.884 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.593 -10.116 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.367 -10.009 -0.676 1.00 0.00 H new ATOM 1069 N GLY A 70 14.832 -11.384 -3.433 1.00 0.00 N ATOM 1070 CA GLY A 70 16.080 -11.105 -4.135 1.00 0.00 C ATOM 1071 C GLY A 70 15.889 -10.871 -5.636 1.00 0.00 C ATOM 1072 O GLY A 70 16.754 -10.263 -6.271 1.00 0.00 O ATOM 0 H GLY A 70 14.813 -12.302 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.549 -10.225 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.766 -11.939 -3.988 1.00 0.00 H new ATOM 1076 N SER A 71 14.772 -11.336 -6.205 1.00 0.00 N ATOM 1077 CA SER A 71 14.460 -11.237 -7.621 1.00 0.00 C ATOM 1078 C SER A 71 14.433 -9.782 -8.102 1.00 0.00 C ATOM 1079 O SER A 71 15.052 -9.467 -9.120 1.00 0.00 O ATOM 1080 CB SER A 71 13.114 -11.921 -7.874 1.00 0.00 C ATOM 1081 OG SER A 71 12.975 -13.090 -7.078 1.00 0.00 O ATOM 0 H SER A 71 14.042 -11.805 -5.669 1.00 0.00 H new ATOM 0 HA SER A 71 15.244 -11.736 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.303 -11.228 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.029 -12.183 -8.929 1.00 0.00 H new ATOM 0 HG SER A 71 12.855 -13.869 -7.660 1.00 0.00 H new ATOM 1087 N ASP A 72 13.750 -8.898 -7.365 1.00 0.00 N ATOM 1088 CA ASP A 72 13.763 -7.461 -7.607 1.00 0.00 C ATOM 1089 C ASP A 72 13.350 -6.652 -6.387 1.00 0.00 C ATOM 1090 O ASP A 72 14.152 -5.868 -5.875 1.00 0.00 O ATOM 1091 CB ASP A 72 12.876 -7.096 -8.804 1.00 0.00 C ATOM 1092 CG ASP A 72 13.003 -5.607 -9.158 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.133 -5.120 -9.382 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.968 -4.911 -9.241 1.00 0.00 O ATOM 0 H ASP A 72 13.166 -9.170 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 72 14.797 -7.201 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.156 -7.702 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.837 -7.330 -8.574 1.00 0.00 H new ATOM 1099 N LYS A 73 12.122 -6.848 -5.910 1.00 0.00 N ATOM 1100 CA LYS A 73 11.481 -5.966 -4.934 1.00 0.00 C ATOM 1101 C LYS A 73 10.403 -6.722 -4.156 1.00 0.00 C ATOM 1102 O LYS A 73 10.036 -7.838 -4.521 1.00 0.00 O ATOM 1103 CB LYS A 73 10.841 -4.807 -5.729 1.00 0.00 C ATOM 1104 CG LYS A 73 11.811 -3.679 -6.108 1.00 0.00 C ATOM 1105 CD LYS A 73 11.056 -2.489 -6.725 1.00 0.00 C ATOM 1106 CE LYS A 73 11.994 -1.625 -7.579 1.00 0.00 C ATOM 1107 NZ LYS A 73 12.128 -2.150 -8.962 1.00 0.00 N ATOM 0 H LYS A 73 11.536 -7.633 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 73 12.210 -5.595 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.399 -5.210 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.027 -4.385 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.356 -3.350 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.550 -4.053 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.233 -2.855 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.617 -1.882 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.615 -0.604 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.977 -1.584 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.946 -1.705 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.266 -3.180 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.265 -1.933 -9.501 1.00 0.00 H new ATOM 1121 N TYR A 74 9.847 -6.110 -3.109 1.00 0.00 N ATOM 1122 CA TYR A 74 8.698 -6.636 -2.380 1.00 0.00 C ATOM 1123 C TYR A 74 7.999 -5.510 -1.617 1.00 0.00 C ATOM 1124 O TYR A 74 8.605 -4.459 -1.381 1.00 0.00 O ATOM 1125 CB TYR A 74 9.153 -7.723 -1.389 1.00 0.00 C ATOM 1126 CG TYR A 74 9.864 -7.213 -0.140 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.205 -6.786 -0.200 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.168 -7.139 1.084 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.853 -6.313 0.955 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.805 -6.662 2.243 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.157 -6.251 2.184 1.00 0.00 C ATOM 1132 OH TYR A 74 11.799 -5.797 3.298 1.00 0.00 O ATOM 0 H TYR A 74 10.189 -5.223 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 74 8.001 -7.071 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.280 -8.298 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.819 -8.410 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.739 -6.822 -1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.135 -7.452 1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.884 -5.997 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.263 -6.610 3.176 1.00 0.00 H new ATOM 0 HH TYR A 74 11.183 -5.815 4.060 1.00 0.00 H new ATOM 1142 N GLN A 75 6.754 -5.748 -1.187 1.00 0.00 N ATOM 1143 CA GLN A 75 6.044 -4.883 -0.256 1.00 0.00 C ATOM 1144 C GLN A 75 5.037 -5.687 0.573 1.00 0.00 C ATOM 1145 O GLN A 75 4.574 -6.745 0.148 1.00 0.00 O ATOM 1146 CB GLN A 75 5.428 -3.644 -0.939 1.00 0.00 C ATOM 1147 CG GLN A 75 4.495 -3.893 -2.136 1.00 0.00 C ATOM 1148 CD GLN A 75 5.182 -4.097 -3.497 1.00 0.00 C ATOM 1149 OE1 GLN A 75 6.388 -3.960 -3.685 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.401 -4.428 -4.506 1.00 0.00 N ATOM 0 H GLN A 75 6.210 -6.559 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 75 6.777 -4.476 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.871 -3.085 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.243 -3.002 -1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.889 -4.774 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.811 -3.048 -2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.398 -4.544 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.799 -4.568 -5.434 1.00 0.00 H new ATOM 1159 N VAL A 76 4.717 -5.191 1.772 1.00 0.00 N ATOM 1160 CA VAL A 76 3.666 -5.735 2.628 1.00 0.00 C ATOM 1161 C VAL A 76 2.346 -5.195 2.079 1.00 0.00 C ATOM 1162 O VAL A 76 2.261 -4.015 1.726 1.00 0.00 O ATOM 1163 CB VAL A 76 3.896 -5.288 4.089 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.759 -5.738 5.024 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.229 -5.812 4.655 1.00 0.00 C ATOM 0 H VAL A 76 5.192 -4.385 2.180 1.00 0.00 H new ATOM 0 HA VAL A 76 3.661 -6.825 2.628 1.00 0.00 H new ATOM 0 HB VAL A 76 3.922 -4.199 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.967 -5.400 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.817 -5.308 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.687 -6.826 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.346 -5.472 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.231 -6.902 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.054 -5.434 4.052 1.00 0.00 H new ATOM 1175 N ASN A 77 1.317 -6.039 2.002 1.00 0.00 N ATOM 1176 CA ASN A 77 0.032 -5.683 1.401 1.00 0.00 C ATOM 1177 C ASN A 77 -1.075 -6.610 1.909 1.00 0.00 C ATOM 1178 O ASN A 77 -1.612 -7.436 1.171 1.00 0.00 O ATOM 1179 CB ASN A 77 0.118 -5.627 -0.141 1.00 0.00 C ATOM 1180 CG ASN A 77 0.382 -6.967 -0.827 1.00 0.00 C ATOM 1181 OD1 ASN A 77 1.075 -7.839 -0.311 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.158 -7.151 -2.021 1.00 0.00 N ATOM 0 H ASN A 77 1.352 -6.995 2.357 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.230 -4.673 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.816 -5.217 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.910 -4.932 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.000 -8.025 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.732 -6.419 -2.439 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.420 -6.489 3.198 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.596 -7.150 3.775 1.00 0.00 C ATOM 1191 C ASN A 78 -3.843 -6.658 3.036 1.00 0.00 C ATOM 1192 O ASN A 78 -4.300 -5.537 3.275 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.747 -6.860 5.279 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.686 -7.508 6.153 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.268 -8.634 5.912 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.234 -6.819 7.186 1.00 0.00 N ATOM 0 H ASN A 78 -0.892 -5.931 3.869 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.471 -8.227 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.718 -5.781 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.729 -7.203 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.525 -7.223 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.594 -5.883 7.371 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.376 -7.459 2.109 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.506 -7.030 1.283 1.00 0.00 C ATOM 1205 C LYS A 79 -6.740 -6.899 2.168 1.00 0.00 C ATOM 1206 O LYS A 79 -7.070 -7.852 2.876 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.765 -8.015 0.129 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.612 -8.033 -0.888 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.926 -8.873 -2.135 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.974 -8.216 -3.045 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.309 -9.076 -4.205 1.00 0.00 N ATOM 0 H LYS A 79 -4.044 -8.403 1.913 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.271 -6.065 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.906 -9.017 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.691 -7.743 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.387 -7.011 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.717 -8.427 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.008 -9.032 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.284 -9.855 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.878 -8.011 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.598 -7.257 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.767 -8.502 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.439 -9.499 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.957 -9.831 -3.902 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.433 -5.756 2.088 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.673 -5.455 2.800 1.00 0.00 C ATOM 1227 C HIS A 80 -8.610 -5.873 4.260 1.00 0.00 C ATOM 1228 O HIS A 80 -9.570 -6.405 4.809 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.886 -6.006 2.047 1.00 0.00 C ATOM 1230 CG HIS A 80 -10.055 -5.419 0.669 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.646 -4.184 0.379 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.622 -5.990 -0.493 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.559 -4.048 -0.958 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.951 -5.116 -1.504 1.00 0.00 N ATOM 0 H HIS A 80 -7.127 -4.983 1.497 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.798 -4.373 2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.791 -7.089 1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.786 -5.809 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.120 -6.940 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.927 -3.199 -1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.765 -5.255 -2.497 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.494 -5.558 4.917 1.00 0.00 N ATOM 1243 CA ASP A 81 -7.319 -5.752 6.360 1.00 0.00 C ATOM 1244 C ASP A 81 -8.361 -4.991 7.199 1.00 0.00 C ATOM 1245 O ASP A 81 -8.504 -5.224 8.398 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.914 -5.291 6.754 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.520 -5.846 8.125 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.419 -7.090 8.233 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -5.246 -5.058 9.058 1.00 0.00 O ATOM 0 H ASP A 81 -6.676 -5.156 4.459 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.458 -6.813 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.195 -5.621 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.877 -4.202 6.774 1.00 0.00 H new ATOM 1254 N ASP A 82 -9.100 -4.076 6.560 1.00 0.00 N ATOM 1255 CA ASP A 82 -10.183 -3.289 7.152 1.00 0.00 C ATOM 1256 C ASP A 82 -11.502 -4.072 7.141 1.00 0.00 C ATOM 1257 O ASP A 82 -12.424 -3.758 7.892 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.340 -1.989 6.348 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.500 -1.119 6.862 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.363 -0.493 7.937 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.541 -1.038 6.172 1.00 0.00 O ATOM 0 H ASP A 82 -8.952 -3.856 5.575 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.936 -3.065 8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.412 -1.419 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.508 -2.232 5.299 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.614 -5.093 6.284 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.840 -5.862 6.048 1.00 0.00 C ATOM 1268 C LYS A 83 -12.632 -7.346 6.381 1.00 0.00 C ATOM 1269 O LYS A 83 -13.614 -8.080 6.507 1.00 0.00 O ATOM 1270 CB LYS A 83 -13.254 -5.708 4.571 1.00 0.00 C ATOM 1271 CG LYS A 83 -13.298 -4.270 4.008 1.00 0.00 C ATOM 1272 CD LYS A 83 -14.669 -3.580 4.083 1.00 0.00 C ATOM 1273 CE LYS A 83 -15.379 -3.533 5.448 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.651 -2.760 6.483 1.00 0.00 N ATOM 0 H LYS A 83 -10.829 -5.417 5.718 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.627 -5.479 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.563 -6.291 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.242 -6.152 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.573 -3.662 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.978 -4.295 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.547 -2.554 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.333 -4.079 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.370 -3.099 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.523 -4.552 5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.334 -2.314 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.032 -3.399 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.075 -2.024 6.026 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.380 -7.780 6.535 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.970 -9.169 6.710 1.00 0.00 C ATOM 1290 C TYR A 84 -9.912 -9.254 7.820 1.00 0.00 C ATOM 1291 O TYR A 84 -9.874 -8.411 8.718 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.510 -9.733 5.351 1.00 0.00 C ATOM 1293 CG TYR A 84 -11.631 -9.944 4.354 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -12.407 -11.117 4.419 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -11.892 -8.984 3.363 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -13.450 -11.326 3.498 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -12.933 -9.182 2.439 1.00 0.00 C ATOM 1298 CZ TYR A 84 -13.718 -10.356 2.502 1.00 0.00 C ATOM 1299 OH TYR A 84 -14.725 -10.541 1.602 1.00 0.00 O ATOM 0 H TYR A 84 -10.587 -7.138 6.541 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.801 -9.794 7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.777 -9.053 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.003 -10.684 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.201 -11.858 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.290 -8.089 3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -14.046 -12.225 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.133 -8.438 1.682 1.00 0.00 H new ATOM 0 HH TYR A 84 -14.765 -9.774 0.993 1.00 0.00 H new ATOM 1309 N SER A 85 -9.095 -10.308 7.777 1.00 0.00 N ATOM 1310 CA SER A 85 -8.168 -10.728 8.824 1.00 0.00 C ATOM 1311 C SER A 85 -8.882 -11.001 10.166 1.00 0.00 C ATOM 1312 O SER A 85 -8.566 -10.358 11.170 1.00 0.00 O ATOM 1313 CB SER A 85 -7.010 -9.728 8.959 1.00 0.00 C ATOM 1314 OG SER A 85 -6.436 -9.407 7.704 1.00 0.00 O ATOM 0 H SER A 85 -9.062 -10.924 6.965 1.00 0.00 H new ATOM 0 HA SER A 85 -7.738 -11.683 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.372 -8.817 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.244 -10.147 9.612 1.00 0.00 H new ATOM 0 HG SER A 85 -6.307 -8.438 7.642 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.842 -11.950 10.229 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.429 -12.389 11.498 1.00 0.00 C ATOM 1322 C PRO A 86 -9.425 -13.024 12.469 1.00 0.00 C ATOM 1323 O PRO A 86 -9.752 -13.226 13.640 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.501 -13.433 11.147 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.697 -13.310 9.642 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.354 -12.784 9.151 1.00 0.00 C ATOM 0 HA PRO A 86 -10.825 -11.511 12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.178 -14.437 11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.430 -13.239 11.683 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.942 -14.271 9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.510 -12.626 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.669 -13.603 8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.470 -12.209 8.232 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.233 -13.391 11.987 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.295 -14.236 12.711 1.00 0.00 C ATOM 1336 C LEU A 87 -6.168 -13.392 13.315 1.00 0.00 C ATOM 1337 O LEU A 87 -5.699 -12.462 12.653 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.710 -15.273 11.738 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.754 -16.166 11.039 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.035 -17.132 10.095 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.600 -16.973 12.033 1.00 0.00 C ATOM 0 H LEU A 87 -7.894 -13.102 11.069 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.816 -14.741 13.524 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.132 -14.750 10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.015 -15.911 12.284 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.430 -15.511 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.768 -17.767 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.479 -16.565 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.345 -17.753 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.319 -17.584 11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.950 -17.618 12.624 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.133 -16.291 12.695 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.699 -13.709 14.536 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.514 -13.086 15.107 1.00 0.00 C ATOM 1355 C PRO A 88 -3.252 -13.631 14.428 1.00 0.00 C ATOM 1356 O PRO A 88 -3.258 -14.740 13.880 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.558 -13.443 16.596 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.234 -14.812 16.602 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.226 -14.722 15.443 1.00 0.00 C ATOM 0 HA PRO A 88 -4.493 -12.006 14.962 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.559 -13.484 17.031 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.125 -12.710 17.170 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.514 -15.616 16.453 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.738 -15.007 17.548 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.324 -15.683 14.939 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.218 -14.447 15.800 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.153 -12.876 14.531 1.00 0.00 N ATOM 1368 CA CYS A 89 -0.853 -13.227 13.965 1.00 0.00 C ATOM 1369 C CYS A 89 -0.463 -14.665 14.303 1.00 0.00 C ATOM 1370 O CYS A 89 -0.088 -15.418 13.407 1.00 0.00 O ATOM 1371 CB CYS A 89 0.210 -12.251 14.487 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.112 -10.572 13.875 1.00 0.00 S ATOM 0 H CYS A 89 -2.146 -11.983 15.023 1.00 0.00 H new ATOM 0 HA CYS A 89 -0.919 -13.153 12.880 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.210 -12.253 15.577 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.200 -12.577 14.167 1.00 0.00 H new ATOM 0 HG CYS A 89 0.710 -10.298 12.906 1.00 0.00 H new ATOM 1378 N SER A 90 -0.595 -15.059 15.571 1.00 0.00 N ATOM 1379 CA SER A 90 -0.165 -16.361 16.057 1.00 0.00 C ATOM 1380 C SER A 90 -0.785 -17.499 15.247 1.00 0.00 C ATOM 1381 O SER A 90 -0.067 -18.359 14.748 1.00 0.00 O ATOM 1382 CB SER A 90 -0.497 -16.474 17.553 1.00 0.00 C ATOM 1383 OG SER A 90 -0.137 -15.279 18.235 1.00 0.00 O ATOM 0 H SER A 90 -1.010 -14.471 16.294 1.00 0.00 H new ATOM 0 HA SER A 90 0.914 -16.451 15.928 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.562 -16.666 17.682 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.034 -17.321 17.986 1.00 0.00 H new ATOM 0 HG SER A 90 -0.356 -15.366 19.186 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.104 -17.483 15.048 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.810 -18.539 14.324 1.00 0.00 C ATOM 1391 C LYS A 91 -2.447 -18.537 12.839 1.00 0.00 C ATOM 1392 O LYS A 91 -2.348 -19.610 12.246 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.329 -18.414 14.505 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.826 -18.589 15.951 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.604 -20.004 16.507 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.243 -20.123 17.898 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.077 -21.478 18.482 1.00 0.00 N ATOM 0 H LYS A 91 -2.712 -16.737 15.385 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.491 -19.491 14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.644 -17.435 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.818 -19.158 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.315 -17.871 16.592 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.889 -18.353 15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.039 -20.742 15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.537 -20.217 16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.796 -19.386 18.565 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.305 -19.888 17.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.524 -21.509 19.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.526 -22.181 17.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.064 -21.695 18.574 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.219 -17.367 12.235 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.802 -17.283 10.836 1.00 0.00 C ATOM 1413 C ILE A 92 -0.437 -17.972 10.695 1.00 0.00 C ATOM 1414 O ILE A 92 -0.266 -18.831 9.829 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.777 -15.805 10.372 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.171 -15.143 10.479 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.280 -15.711 8.917 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.088 -13.614 10.571 1.00 0.00 C ATOM 0 H ILE A 92 -2.317 -16.463 12.697 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.512 -17.796 10.188 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.094 -15.271 11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.769 -15.420 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.687 -15.529 11.358 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.267 -14.667 8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.273 -16.122 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.948 -16.277 8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.093 -13.199 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.514 -13.333 11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.598 -13.222 9.680 1.00 0.00 H new ATOM 1430 N ILE A 93 0.517 -17.634 11.568 1.00 0.00 N ATOM 1431 CA ILE A 93 1.870 -18.183 11.558 1.00 0.00 C ATOM 1432 C ILE A 93 1.804 -19.687 11.833 1.00 0.00 C ATOM 1433 O ILE A 93 2.437 -20.461 11.118 1.00 0.00 O ATOM 1434 CB ILE A 93 2.730 -17.444 12.610 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.850 -15.941 12.279 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.138 -18.048 12.739 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.216 -15.115 13.514 1.00 0.00 C ATOM 0 H ILE A 93 0.364 -16.957 12.315 1.00 0.00 H new ATOM 0 HA ILE A 93 2.335 -18.038 10.583 1.00 0.00 H new ATOM 0 HB ILE A 93 2.216 -17.565 13.563 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.607 -15.798 11.508 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.906 -15.583 11.869 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.704 -17.495 13.489 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.060 -19.093 13.040 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.650 -17.985 11.779 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.291 -14.063 13.239 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.445 -15.237 14.275 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.173 -15.456 13.909 1.00 0.00 H new ATOM 1449 N GLN A 94 1.009 -20.100 12.826 1.00 0.00 N ATOM 1450 CA GLN A 94 0.798 -21.499 13.174 1.00 0.00 C ATOM 1451 C GLN A 94 0.399 -22.265 11.922 1.00 0.00 C ATOM 1452 O GLN A 94 1.025 -23.266 11.588 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.320 -21.637 14.225 1.00 0.00 C ATOM 1454 CG GLN A 94 0.112 -21.496 15.688 1.00 0.00 C ATOM 1455 CD GLN A 94 1.152 -22.532 16.137 1.00 0.00 C ATOM 1456 OE1 GLN A 94 2.082 -22.204 16.870 1.00 0.00 O ATOM 1457 NE2 GLN A 94 1.051 -23.791 15.731 1.00 0.00 N ATOM 0 H GLN A 94 0.487 -19.454 13.418 1.00 0.00 H new ATOM 0 HA GLN A 94 1.722 -21.901 13.590 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.081 -20.885 14.018 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.792 -22.611 14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.521 -20.497 15.840 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.768 -21.581 16.325 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.282 -24.070 15.122 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.743 -24.480 16.027 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.618 -21.781 11.209 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.132 -22.490 10.048 1.00 0.00 C ATOM 1468 C ARG A 95 -0.090 -22.507 8.934 1.00 0.00 C ATOM 1469 O ARG A 95 0.191 -23.573 8.396 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.483 -21.893 9.648 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.277 -22.838 8.730 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.784 -22.716 8.983 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.247 -21.325 8.823 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.036 -20.846 7.857 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.646 -21.644 6.987 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.199 -19.535 7.754 1.00 0.00 N ATOM 0 H ARG A 95 -1.097 -20.905 11.417 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.318 -23.538 10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.067 -21.682 10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.324 -20.942 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.060 -22.605 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.959 -23.867 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.324 -23.362 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.015 -23.064 9.990 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.931 -20.657 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.518 -22.654 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.242 -21.246 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.726 -18.909 8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.798 -19.151 7.023 1.00 0.00 H new ATOM 1490 N ALA A 96 0.548 -21.371 8.637 1.00 0.00 N ATOM 1491 CA ALA A 96 1.609 -21.303 7.641 1.00 0.00 C ATOM 1492 C ALA A 96 2.683 -22.370 7.892 1.00 0.00 C ATOM 1493 O ALA A 96 3.063 -23.110 6.985 1.00 0.00 O ATOM 1494 CB ALA A 96 2.220 -19.893 7.650 1.00 0.00 C ATOM 0 H ALA A 96 0.340 -20.477 9.082 1.00 0.00 H new ATOM 0 HA ALA A 96 1.184 -21.505 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.015 -19.836 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.448 -19.161 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.631 -19.681 8.637 1.00 0.00 H new ATOM 1500 N GLU A 97 3.142 -22.480 9.136 1.00 0.00 N ATOM 1501 CA GLU A 97 4.237 -23.367 9.511 1.00 0.00 C ATOM 1502 C GLU A 97 3.765 -24.805 9.786 1.00 0.00 C ATOM 1503 O GLU A 97 4.596 -25.707 9.878 1.00 0.00 O ATOM 1504 CB GLU A 97 4.997 -22.783 10.711 1.00 0.00 C ATOM 1505 CG GLU A 97 5.633 -21.423 10.375 1.00 0.00 C ATOM 1506 CD GLU A 97 6.677 -21.002 11.422 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.351 -20.891 12.625 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.849 -20.788 11.037 1.00 0.00 O ATOM 0 H GLU A 97 2.760 -21.950 9.919 1.00 0.00 H new ATOM 0 HA GLU A 97 4.917 -23.432 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.314 -22.667 11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.774 -23.481 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.104 -21.476 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.854 -20.663 10.314 1.00 0.00 H new ATOM 1515 N GLU A 98 2.457 -25.059 9.878 1.00 0.00 N ATOM 1516 CA GLU A 98 1.890 -26.400 9.937 1.00 0.00 C ATOM 1517 C GLU A 98 1.803 -26.999 8.531 1.00 0.00 C ATOM 1518 O GLU A 98 1.770 -28.224 8.387 1.00 0.00 O ATOM 1519 CB GLU A 98 0.498 -26.354 10.596 1.00 0.00 C ATOM 1520 CG GLU A 98 0.611 -26.384 12.128 1.00 0.00 C ATOM 1521 CD GLU A 98 -0.668 -25.926 12.855 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -1.786 -26.340 12.467 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -0.558 -25.192 13.865 1.00 0.00 O ATOM 0 H GLU A 98 1.753 -24.322 9.914 1.00 0.00 H new ATOM 0 HA GLU A 98 2.539 -27.035 10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.026 -25.450 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.097 -27.201 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.855 -27.398 12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.440 -25.746 12.434 1.00 0.00 H new ATOM 1530 N LEU A 99 1.783 -26.151 7.496 1.00 0.00 N ATOM 1531 CA LEU A 99 1.482 -26.556 6.124 1.00 0.00 C ATOM 1532 C LEU A 99 2.703 -26.452 5.204 1.00 0.00 C ATOM 1533 O LEU A 99 2.627 -26.869 4.048 1.00 0.00 O ATOM 1534 CB LEU A 99 0.297 -25.725 5.604 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.977 -25.826 6.475 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.019 -24.830 5.963 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.576 -27.233 6.536 1.00 0.00 C ATOM 0 H LEU A 99 1.978 -25.154 7.592 1.00 0.00 H new ATOM 0 HA LEU A 99 1.205 -27.610 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.600 -24.680 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.058 -26.048 4.591 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.681 -25.585 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.919 -24.898 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.616 -23.819 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.266 -25.062 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.466 -27.223 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.846 -27.557 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.843 -27.923 6.955 1.00 0.00 H new ATOM 1549 N VAL A 100 3.838 -25.936 5.692 1.00 0.00 N ATOM 1550 CA VAL A 100 5.111 -25.987 4.985 1.00 0.00 C ATOM 1551 C VAL A 100 5.434 -27.437 4.583 1.00 0.00 C ATOM 1552 O VAL A 100 5.157 -28.381 5.330 1.00 0.00 O ATOM 1553 CB VAL A 100 6.200 -25.319 5.855 1.00 0.00 C ATOM 1554 CG1 VAL A 100 6.551 -26.107 7.123 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.480 -25.065 5.053 1.00 0.00 C ATOM 0 H VAL A 100 3.892 -25.469 6.597 1.00 0.00 H new ATOM 0 HA VAL A 100 5.063 -25.424 4.053 1.00 0.00 H new ATOM 0 HB VAL A 100 5.763 -24.372 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.322 -25.575 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.661 -26.212 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.920 -27.095 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.224 -24.594 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.869 -26.012 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.258 -24.407 4.213 1.00 0.00 H new ATOM 1565 N GLY A 101 6.027 -27.619 3.400 1.00 0.00 N ATOM 1566 CA GLY A 101 6.466 -28.912 2.898 1.00 0.00 C ATOM 1567 C GLY A 101 5.339 -29.730 2.267 1.00 0.00 C ATOM 1568 O GLY A 101 5.613 -30.819 1.756 1.00 0.00 O ATOM 0 H GLY A 101 6.217 -26.852 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.252 -28.759 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.905 -29.482 3.717 1.00 0.00 H new ATOM 1572 N GLN A 102 4.089 -29.248 2.285 1.00 0.00 N ATOM 1573 CA GLN A 102 2.998 -29.910 1.582 1.00 0.00 C ATOM 1574 C GLN A 102 3.144 -29.668 0.087 1.00 0.00 C ATOM 1575 O GLN A 102 3.670 -28.640 -0.343 1.00 0.00 O ATOM 1576 CB GLN A 102 1.634 -29.411 2.073 1.00 0.00 C ATOM 1577 CG GLN A 102 1.318 -30.021 3.444 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.055 -29.633 3.995 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.847 -28.932 3.369 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.379 -30.101 5.190 1.00 0.00 N ATOM 0 H GLN A 102 3.815 -28.400 2.782 1.00 0.00 H new ATOM 0 HA GLN A 102 3.049 -30.979 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.638 -28.323 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.858 -29.682 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.375 -31.107 3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.084 -29.710 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.281 -30.682 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.289 -29.880 5.595 1.00 0.00 H new ATOM 1589 N GLU A 103 2.625 -30.599 -0.703 1.00 0.00 N ATOM 1590 CA GLU A 103 2.573 -30.471 -2.149 1.00 0.00 C ATOM 1591 C GLU A 103 1.178 -29.990 -2.541 1.00 0.00 C ATOM 1592 O GLU A 103 0.188 -30.329 -1.885 1.00 0.00 O ATOM 1593 CB GLU A 103 2.857 -31.822 -2.822 1.00 0.00 C ATOM 1594 CG GLU A 103 4.269 -32.359 -2.548 1.00 0.00 C ATOM 1595 CD GLU A 103 4.525 -33.666 -3.316 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.533 -33.642 -4.568 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.731 -34.724 -2.677 1.00 0.00 O ATOM 0 H GLU A 103 2.226 -31.470 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 103 3.330 -29.758 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.126 -32.552 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.719 -31.719 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.008 -31.612 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.394 -32.532 -1.479 1.00 0.00 H new ATOM 1604 N VAL A 104 1.098 -29.251 -3.643 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.141 -28.896 -4.308 1.00 0.00 C ATOM 1606 C VAL A 104 -0.007 -29.274 -5.793 1.00 0.00 C ATOM 1607 O VAL A 104 1.043 -29.758 -6.223 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.478 -27.413 -4.048 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.850 -27.158 -2.578 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.606 -26.413 -4.460 1.00 0.00 C ATOM 0 H VAL A 104 1.923 -28.873 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.991 -29.450 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.335 -27.235 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.080 -26.102 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.722 -27.757 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.012 -27.434 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.271 -25.400 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.523 -26.623 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.797 -26.503 -5.529 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.069 -29.094 -6.583 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.148 -29.608 -7.956 1.00 0.00 C ATOM 1622 C LEU A 105 -1.495 -28.516 -8.972 1.00 0.00 C ATOM 1623 O LEU A 105 -1.698 -28.811 -10.150 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.157 -30.777 -8.003 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.597 -32.110 -8.540 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.080 -32.012 -9.981 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -0.495 -32.666 -7.627 1.00 0.00 C ATOM 0 H LEU A 105 -1.903 -28.586 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.162 -29.974 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.543 -30.943 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.003 -30.481 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.441 -32.800 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.700 -32.983 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.894 -31.708 -10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.279 -31.275 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.123 -33.606 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.323 -31.948 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.901 -32.839 -6.630 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.554 -27.260 -8.531 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.690 -26.097 -9.395 1.00 0.00 C ATOM 1641 C TYR A 106 -0.313 -25.464 -9.601 1.00 0.00 C ATOM 1642 O TYR A 106 0.535 -25.482 -8.707 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.699 -25.105 -8.796 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.443 -24.663 -7.361 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.452 -23.701 -7.078 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.213 -25.196 -6.309 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.231 -23.274 -5.757 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.005 -24.768 -4.985 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.013 -23.799 -4.703 1.00 0.00 C ATOM 1650 OH TYR A 106 -1.796 -23.373 -3.427 1.00 0.00 O ATOM 0 H TYR A 106 -1.507 -27.022 -7.540 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.077 -26.396 -10.369 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.722 -24.217 -9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.690 -25.556 -8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.859 -23.289 -7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.968 -25.938 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.463 -22.544 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.602 -25.179 -4.184 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.416 -23.829 -2.820 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.086 -24.900 -10.789 1.00 0.00 N ATOM 1661 CA LYS A 107 1.109 -24.170 -11.154 1.00 0.00 C ATOM 1662 C LYS A 107 1.290 -22.937 -10.276 1.00 0.00 C ATOM 1663 O LYS A 107 0.303 -22.346 -9.828 1.00 0.00 O ATOM 1664 CB LYS A 107 0.911 -23.725 -12.612 1.00 0.00 C ATOM 1665 CG LYS A 107 2.240 -23.696 -13.354 1.00 0.00 C ATOM 1666 CD LYS A 107 2.049 -23.207 -14.797 1.00 0.00 C ATOM 1667 CE LYS A 107 3.306 -23.378 -15.661 1.00 0.00 C ATOM 1668 NZ LYS A 107 3.661 -24.800 -15.897 1.00 0.00 N ATOM 0 H LYS A 107 -0.765 -24.947 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 107 1.992 -24.797 -11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.224 -24.406 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.454 -22.736 -12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.938 -23.041 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.681 -24.693 -13.359 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.224 -23.754 -15.254 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.765 -22.155 -14.783 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.150 -22.885 -16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.144 -22.876 -15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.334 -24.863 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.096 -25.196 -15.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.802 -25.338 -16.129 1.00 0.00 H new ATOM 1682 N LEU A 108 2.533 -22.487 -10.101 1.00 0.00 N ATOM 1683 CA LEU A 108 2.779 -21.184 -9.499 1.00 0.00 C ATOM 1684 C LEU A 108 2.250 -20.134 -10.473 1.00 0.00 C ATOM 1685 O LEU A 108 2.648 -20.118 -11.641 1.00 0.00 O ATOM 1686 CB LEU A 108 4.271 -20.901 -9.242 1.00 0.00 C ATOM 1687 CG LEU A 108 4.909 -21.750 -8.131 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.453 -23.078 -8.679 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.060 -20.981 -7.475 1.00 0.00 C ATOM 0 H LEU A 108 3.373 -23.001 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 108 2.282 -21.158 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.822 -21.067 -10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.387 -19.848 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 108 4.132 -21.964 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.897 -23.653 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.638 -23.649 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.210 -22.876 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.505 -21.592 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.816 -20.748 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.680 -20.055 -7.043 1.00 0.00 H new ATOM 1701 N THR A 109 1.400 -19.242 -9.981 1.00 0.00 N ATOM 1702 CA THR A 109 0.981 -18.029 -10.663 1.00 0.00 C ATOM 1703 C THR A 109 0.884 -16.962 -9.578 1.00 0.00 C ATOM 1704 O THR A 109 0.726 -17.294 -8.394 1.00 0.00 O ATOM 1705 CB THR A 109 -0.364 -18.196 -11.399 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.399 -18.517 -10.494 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.329 -19.269 -12.493 1.00 0.00 C ATOM 0 H THR A 109 0.969 -19.349 -9.063 1.00 0.00 H new ATOM 0 HA THR A 109 1.696 -17.760 -11.440 1.00 0.00 H new ATOM 0 HB THR A 109 -0.554 -17.234 -11.874 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.242 -18.616 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.307 -19.334 -12.970 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.421 -19.005 -13.238 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.077 -20.232 -12.050 1.00 0.00 H new ATOM 1715 N SER A 110 0.930 -15.691 -9.972 1.00 0.00 N ATOM 1716 CA SER A 110 0.735 -14.571 -9.069 1.00 0.00 C ATOM 1717 C SER A 110 -0.523 -14.761 -8.218 1.00 0.00 C ATOM 1718 O SER A 110 -0.490 -14.559 -7.006 1.00 0.00 O ATOM 1719 CB SER A 110 0.640 -13.300 -9.920 1.00 0.00 C ATOM 1720 OG SER A 110 1.763 -13.201 -10.773 1.00 0.00 O ATOM 0 H SER A 110 1.106 -15.413 -10.937 1.00 0.00 H new ATOM 0 HA SER A 110 1.572 -14.497 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.275 -13.317 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.586 -12.424 -9.274 1.00 0.00 H new ATOM 0 HG SER A 110 2.574 -13.090 -10.234 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.611 -15.235 -8.829 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.907 -15.222 -8.171 1.00 0.00 C ATOM 1728 C GLU A 111 -3.176 -16.544 -7.444 1.00 0.00 C ATOM 1729 O GLU A 111 -3.902 -16.540 -6.452 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.997 -14.816 -9.175 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.649 -13.557 -10.005 1.00 0.00 C ATOM 1732 CD GLU A 111 -3.263 -12.314 -9.173 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -2.065 -12.093 -8.878 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -4.145 -11.488 -8.854 1.00 0.00 O ATOM 0 H GLU A 111 -1.615 -15.628 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.915 -14.467 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.179 -15.648 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.926 -14.637 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.824 -13.798 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.505 -13.305 -10.632 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.543 -17.659 -7.839 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.587 -18.885 -7.036 1.00 0.00 C ATOM 1743 C ASN A 112 -1.811 -18.671 -5.739 1.00 0.00 C ATOM 1744 O ASN A 112 -2.253 -19.115 -4.678 1.00 0.00 O ATOM 1745 CB ASN A 112 -2.000 -20.097 -7.783 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.939 -20.702 -8.827 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.153 -20.507 -8.797 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.411 -21.473 -9.764 1.00 0.00 N ATOM 0 H ASN A 112 -2.001 -17.735 -8.700 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.635 -19.101 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.075 -19.794 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.738 -20.866 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.011 -21.908 -10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.404 -21.632 -9.786 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.668 -17.979 -5.801 1.00 0.00 N ATOM 1756 CA CYS A 113 0.112 -17.698 -4.605 1.00 0.00 C ATOM 1757 C CYS A 113 -0.628 -16.689 -3.719 1.00 0.00 C ATOM 1758 O CYS A 113 -0.676 -16.897 -2.506 1.00 0.00 O ATOM 1759 CB CYS A 113 1.523 -17.225 -4.972 1.00 0.00 C ATOM 1760 SG CYS A 113 2.342 -18.478 -6.005 1.00 0.00 S ATOM 0 H CYS A 113 -0.270 -17.608 -6.664 1.00 0.00 H new ATOM 0 HA CYS A 113 0.229 -18.617 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.471 -16.277 -5.507 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.105 -17.049 -4.067 1.00 0.00 H new ATOM 0 HG CYS A 113 1.949 -18.349 -7.237 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.256 -15.658 -4.307 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.120 -14.721 -3.585 1.00 0.00 C ATOM 1768 C GLU A 114 -3.195 -15.491 -2.817 1.00 0.00 C ATOM 1769 O GLU A 114 -3.412 -15.248 -1.628 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.798 -13.743 -4.567 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.684 -12.706 -3.859 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.475 -11.836 -4.851 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -5.482 -12.327 -5.410 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.164 -10.633 -5.007 1.00 0.00 O ATOM 0 H GLU A 114 -1.175 -15.453 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.505 -14.154 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.032 -13.226 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.404 -14.308 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.380 -13.219 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.061 -12.066 -3.235 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.865 -16.416 -3.509 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.988 -17.172 -2.985 1.00 0.00 C ATOM 1783 C HIS A 115 -4.555 -17.975 -1.763 1.00 0.00 C ATOM 1784 O HIS A 115 -5.224 -17.918 -0.734 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.547 -18.056 -4.109 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.652 -18.987 -3.676 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -8.022 -18.722 -3.766 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.472 -20.245 -3.178 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.634 -19.827 -3.303 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.729 -20.754 -2.943 1.00 0.00 N ATOM 0 H HIS A 115 -3.630 -16.660 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.783 -16.505 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.920 -17.415 -4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.733 -18.647 -4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.530 -20.743 -3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.704 -19.952 -3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.938 -21.676 -2.561 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.414 -18.668 -1.830 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.922 -19.439 -0.700 1.00 0.00 C ATOM 1800 C PHE A 116 -2.643 -18.552 0.513 1.00 0.00 C ATOM 1801 O PHE A 116 -3.155 -18.820 1.600 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.672 -20.216 -1.123 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.913 -20.835 0.038 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.305 -22.077 0.573 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.183 -20.151 0.598 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.602 -22.627 1.660 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.876 -20.690 1.693 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.486 -21.935 2.220 1.00 0.00 C ATOM 0 H PHE A 116 -2.819 -18.707 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.695 -20.145 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.963 -21.005 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.005 -19.546 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.145 -22.607 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.493 -19.204 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.899 -23.583 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.705 -20.152 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.023 -22.359 3.055 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.850 -17.492 0.352 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.494 -16.665 1.507 1.00 0.00 C ATOM 1820 C VAL A 117 -2.731 -15.966 2.093 1.00 0.00 C ATOM 1821 O VAL A 117 -2.833 -15.828 3.312 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.330 -15.701 1.205 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.923 -16.460 0.746 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.656 -14.619 0.171 1.00 0.00 C ATOM 0 H VAL A 117 -1.452 -17.191 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.117 -17.329 2.284 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.145 -15.197 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.724 -15.750 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.239 -17.148 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.696 -17.022 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.218 -13.986 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.932 -15.089 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.487 -14.011 0.530 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.707 -15.585 1.260 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.956 -14.992 1.740 1.00 0.00 C ATOM 1836 C ASN A 118 -5.796 -16.013 2.485 1.00 0.00 C ATOM 1837 O ASN A 118 -6.463 -15.648 3.450 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.774 -14.354 0.605 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.287 -12.941 0.318 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.875 -11.964 0.765 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.179 -12.798 -0.386 1.00 0.00 N ATOM 0 H ASN A 118 -3.653 -15.679 0.246 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.677 -14.196 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.691 -14.962 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.829 -14.332 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.804 -11.866 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.698 -13.619 -0.753 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.737 -17.287 2.109 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.376 -18.343 2.858 1.00 0.00 C ATOM 1850 C GLU A 119 -5.758 -18.413 4.258 1.00 0.00 C ATOM 1851 O GLU A 119 -6.512 -18.502 5.224 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.335 -19.645 2.031 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.216 -20.906 2.878 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.357 -22.181 2.028 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -7.496 -22.662 1.837 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -5.332 -22.725 1.560 1.00 0.00 O ATOM 0 H GLU A 119 -5.243 -17.607 1.276 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.435 -18.151 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.239 -19.709 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.492 -19.600 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.252 -20.913 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.984 -20.898 3.652 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.435 -18.288 4.409 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.801 -18.298 5.729 1.00 0.00 C ATOM 1865 C LEU A 120 -4.203 -17.065 6.540 1.00 0.00 C ATOM 1866 O LEU A 120 -4.531 -17.199 7.718 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.269 -18.372 5.644 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.737 -19.573 4.853 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.221 -19.424 4.726 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -2.064 -20.911 5.525 1.00 0.00 C ATOM 0 H LEU A 120 -3.783 -18.179 3.632 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.156 -19.198 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.898 -17.456 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.862 -18.409 6.655 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.221 -19.582 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.182 -20.268 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.011 -18.497 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.227 -19.401 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.665 -21.728 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.615 -20.939 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.145 -21.020 5.612 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.190 -15.878 5.923 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.504 -14.616 6.598 1.00 0.00 C ATOM 1884 C ARG A 121 -5.966 -14.567 7.040 1.00 0.00 C ATOM 1885 O ARG A 121 -6.249 -14.082 8.135 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.162 -13.447 5.650 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.379 -12.031 6.219 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.396 -11.689 7.344 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.691 -10.375 7.940 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.852 -9.641 8.684 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.639 -10.085 8.983 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.216 -8.449 9.134 1.00 0.00 N ATOM 0 H ARG A 121 -3.960 -15.767 4.936 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.903 -14.533 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.118 -13.541 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.763 -13.550 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.274 -11.301 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.399 -11.947 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.443 -12.458 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.379 -11.692 6.953 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.619 -9.988 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.332 -10.997 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.012 -9.514 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.142 -8.082 8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.570 -7.898 9.699 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.892 -15.017 6.192 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.326 -14.833 6.434 1.00 0.00 C ATOM 1908 C TYR A 122 -8.951 -16.052 7.111 1.00 0.00 C ATOM 1909 O TYR A 122 -9.770 -15.905 8.016 1.00 0.00 O ATOM 1910 CB TYR A 122 -9.080 -14.611 5.109 1.00 0.00 C ATOM 1911 CG TYR A 122 -8.809 -13.368 4.273 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.973 -12.314 4.701 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -9.477 -13.265 3.037 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.822 -11.162 3.905 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -9.337 -12.118 2.241 1.00 0.00 C ATOM 1916 CZ TYR A 122 -8.519 -11.053 2.676 1.00 0.00 C ATOM 1917 OH TYR A 122 -8.442 -9.925 1.921 1.00 0.00 O ATOM 0 H TYR A 122 -6.675 -15.514 5.328 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.415 -13.963 7.084 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.882 -15.476 4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -10.146 -14.621 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -7.448 -12.391 5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.103 -14.077 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.175 -10.361 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.855 -12.050 1.296 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.955 -9.233 2.415 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.608 -17.250 6.644 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.276 -18.500 7.006 1.00 0.00 C ATOM 1929 C GLY A 123 -9.402 -19.347 5.747 1.00 0.00 C ATOM 1930 O GLY A 123 -8.892 -20.466 5.687 1.00 0.00 O ATOM 0 H GLY A 123 -7.839 -17.383 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.704 -19.031 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.260 -18.298 7.429 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.984 -18.747 4.709 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.039 -19.241 3.341 1.00 0.00 C ATOM 1936 C VAL A 124 -10.173 -17.983 2.466 1.00 0.00 C ATOM 1937 O VAL A 124 -10.849 -17.029 2.865 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.187 -20.267 3.189 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.583 -19.717 3.530 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.204 -20.886 1.786 1.00 0.00 C ATOM 0 H VAL A 124 -10.457 -17.849 4.811 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.152 -19.795 3.035 1.00 0.00 H new ATOM 0 HB VAL A 124 -10.967 -21.035 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.326 -20.503 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.597 -19.377 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.816 -18.881 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.023 -21.602 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.343 -20.100 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.259 -21.396 1.602 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.462 -17.932 1.334 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.506 -16.780 0.443 1.00 0.00 C ATOM 1952 C ALA A 125 -10.893 -16.670 -0.195 1.00 0.00 C ATOM 1953 O ALA A 125 -11.452 -17.705 -0.618 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.418 -16.904 -0.620 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.409 -15.539 -0.304 1.00 0.00 O ATOM 0 H ALA A 125 -8.848 -18.682 1.017 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.321 -15.870 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.457 -16.039 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.441 -16.948 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.578 -17.813 -1.200 1.00 0.00 H new TER 1961 ALA A 125