USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 945 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 85 TYR OH : rot -70:sc= 0.701 USER MOD Set 1.2: A 93 TYR OH : rot 165:sc= 0.752 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.403 K(o=1.5,f=-3.1!) USER MOD Set 2.2: A 72 GLN : amide:sc= -0.0582 K(o=1.5,f=0.79) USER MOD Set 2.3: A 73 THR OG1 : rot -160:sc= 0.0753 USER MOD Set 2.4: A 75 TYR OH : rot 73:sc= 1.07 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= -0.0509 USER MOD Set 3.2: A 39 TYR OH : rot 180:sc=-0.00487 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0162 (180deg=-0.176) USER MOD Single : A 6 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.96) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.8!) USER MOD Single : A 36 TYR OH : rot 179:sc= 0.283 USER MOD Single : A 38 MET CE :methyl -136:sc= -4.89 (180deg=-12.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -87:sc= -0.0233 USER MOD Single : A 48 ASN : amide:sc= -4.13 K(o=-4.1,f=-9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -59:sc= 0.738 USER MOD Single : A 59 SER OG : rot -22:sc= 0.493 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00246) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 0.234 (180deg=-0.13) USER MOD Single : A 76 HIS : no HD1:sc= -0.305 K(o=-0.31,f=-2.5!) USER MOD Single : A 77 HIS : no HE2:sc= -0.971 X(o=-0.97,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0113) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00449 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 102 SER OG : rot -88:sc= 0.546 USER MOD Single : A 108 CYS SG : rot 35:sc= 0.0225 USER MOD Single : A 109 TYR OH : rot -34:sc= 0.0954 USER MOD Single : A 114 THR OG1 : rot -170:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 110:sc= -0.651 USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.129 F(o=-1.3,f=-0.13) USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0683 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.807 1.454 -2.735 1.00 60.24 N ATOM 2 CA MET A 1 0.408 0.733 -3.097 1.00 3.23 C ATOM 3 C MET A 1 1.642 1.434 -2.537 1.00 64.31 C ATOM 4 O MET A 1 1.713 2.662 -2.514 1.00 30.05 O ATOM 5 CB MET A 1 0.522 0.612 -4.618 1.00 11.14 C ATOM 6 CG MET A 1 0.361 1.936 -5.346 1.00 43.43 C ATOM 7 SD MET A 1 1.472 2.092 -6.758 1.00 62.50 S ATOM 8 CE MET A 1 0.314 2.526 -8.054 1.00 24.32 C ATOM 0 H1 MET A 1 -1.476 1.428 -3.531 1.00 60.24 H new ATOM 0 H2 MET A 1 -1.241 1.007 -1.902 1.00 60.24 H new ATOM 0 H3 MET A 1 -0.571 2.442 -2.514 1.00 60.24 H new ATOM 0 HA MET A 1 0.351 -0.266 -2.664 1.00 3.23 H new ATOM 0 HB2 MET A 1 1.493 0.185 -4.869 1.00 11.14 H new ATOM 0 HB3 MET A 1 -0.235 -0.085 -4.977 1.00 11.14 H new ATOM 0 HG2 MET A 1 -0.670 2.036 -5.687 1.00 43.43 H new ATOM 0 HG3 MET A 1 0.547 2.754 -4.650 1.00 43.43 H new ATOM 0 HE1 MET A 1 0.851 2.657 -8.993 1.00 24.32 H new ATOM 0 HE2 MET A 1 -0.423 1.730 -8.165 1.00 24.32 H new ATOM 0 HE3 MET A 1 -0.192 3.455 -7.793 1.00 24.32 H new ATOM 18 N ALA A 2 2.612 0.644 -2.087 1.00 44.43 N ATOM 19 CA ALA A 2 3.844 1.189 -1.530 1.00 11.44 C ATOM 20 C ALA A 2 3.547 2.217 -0.443 1.00 13.20 C ATOM 21 O ALA A 2 3.850 3.401 -0.594 1.00 43.33 O ATOM 22 CB ALA A 2 4.691 1.811 -2.629 1.00 44.45 C ATOM 0 H ALA A 2 2.568 -0.375 -2.097 1.00 44.43 H new ATOM 0 HA ALA A 2 4.402 0.370 -1.077 1.00 11.44 H new ATOM 0 HB1 ALA A 2 5.608 2.214 -2.198 1.00 44.45 H new ATOM 0 HB2 ALA A 2 4.941 1.051 -3.369 1.00 44.45 H new ATOM 0 HB3 ALA A 2 4.132 2.615 -3.108 1.00 44.45 H new ATOM 28 N LEU A 3 2.951 1.758 0.652 1.00 71.00 N ATOM 29 CA LEU A 3 2.612 2.638 1.765 1.00 53.23 C ATOM 30 C LEU A 3 1.627 3.717 1.325 1.00 32.22 C ATOM 31 O LEU A 3 2.018 4.728 0.742 1.00 12.21 O ATOM 32 CB LEU A 3 3.876 3.286 2.332 1.00 51.42 C ATOM 33 CG LEU A 3 3.843 3.633 3.821 1.00 73.42 C ATOM 34 CD1 LEU A 3 5.224 3.474 4.437 1.00 60.43 C ATOM 35 CD2 LEU A 3 3.324 5.048 4.028 1.00 41.23 C ATOM 0 H LEU A 3 2.692 0.781 0.793 1.00 71.00 H new ATOM 0 HA LEU A 3 2.140 2.036 2.542 1.00 53.23 H new ATOM 0 HB2 LEU A 3 4.716 2.614 2.155 1.00 51.42 H new ATOM 0 HB3 LEU A 3 4.075 4.199 1.771 1.00 51.42 H new ATOM 0 HG LEU A 3 3.164 2.942 4.320 1.00 73.42 H new ATOM 0 HD11 LEU A 3 5.181 3.725 5.497 1.00 60.43 H new ATOM 0 HD12 LEU A 3 5.557 2.443 4.322 1.00 60.43 H new ATOM 0 HD13 LEU A 3 5.925 4.140 3.935 1.00 60.43 H new ATOM 0 HD21 LEU A 3 3.308 5.277 5.093 1.00 41.23 H new ATOM 0 HD22 LEU A 3 3.977 5.754 3.515 1.00 41.23 H new ATOM 0 HD23 LEU A 3 2.315 5.128 3.624 1.00 41.23 H new ATOM 47 N ASP A 4 0.348 3.495 1.610 1.00 5.04 N ATOM 48 CA ASP A 4 -0.693 4.449 1.248 1.00 43.45 C ATOM 49 C ASP A 4 -0.947 5.435 2.384 1.00 21.42 C ATOM 50 O ASP A 4 -0.193 5.484 3.356 1.00 53.32 O ATOM 51 CB ASP A 4 -1.987 3.715 0.894 1.00 62.13 C ATOM 52 CG ASP A 4 -2.683 4.317 -0.311 1.00 33.12 C ATOM 53 OD1 ASP A 4 -2.280 4.000 -1.449 1.00 23.50 O ATOM 54 OD2 ASP A 4 -3.632 5.106 -0.115 1.00 45.14 O ATOM 0 H ASP A 4 0.008 2.662 2.091 1.00 5.04 H new ATOM 0 HA ASP A 4 -0.351 5.008 0.377 1.00 43.45 H new ATOM 0 HB2 ASP A 4 -1.764 2.667 0.695 1.00 62.13 H new ATOM 0 HB3 ASP A 4 -2.662 3.740 1.750 1.00 62.13 H new ATOM 59 N ALA A 5 -2.013 6.218 2.254 1.00 21.44 N ATOM 60 CA ALA A 5 -2.367 7.201 3.271 1.00 63.23 C ATOM 61 C ALA A 5 -3.879 7.285 3.450 1.00 3.11 C ATOM 62 O ALA A 5 -4.622 6.457 2.926 1.00 54.23 O ATOM 63 CB ALA A 5 -1.800 8.565 2.906 1.00 62.34 C ATOM 0 H ALA A 5 -2.646 6.191 1.455 1.00 21.44 H new ATOM 0 HA ALA A 5 -1.933 6.881 4.218 1.00 63.23 H new ATOM 0 HB1 ALA A 5 -2.072 9.289 3.674 1.00 62.34 H new ATOM 0 HB2 ALA A 5 -0.714 8.501 2.836 1.00 62.34 H new ATOM 0 HB3 ALA A 5 -2.207 8.883 1.946 1.00 62.34 H new ATOM 69 N ASN A 6 -4.326 8.291 4.195 1.00 35.51 N ATOM 70 CA ASN A 6 -5.751 8.482 4.444 1.00 24.15 C ATOM 71 C ASN A 6 -6.333 7.296 5.207 1.00 13.15 C ATOM 72 O ASN A 6 -5.609 6.384 5.605 1.00 65.21 O ATOM 73 CB ASN A 6 -6.500 8.671 3.124 1.00 0.00 C ATOM 74 CG ASN A 6 -7.187 10.020 3.037 1.00 34.04 C ATOM 75 OD1 ASN A 6 -6.712 11.008 3.597 1.00 51.32 O ATOM 76 ND2 ASN A 6 -8.313 10.066 2.334 1.00 43.31 N ATOM 0 H ASN A 6 -3.723 8.986 4.636 1.00 35.51 H new ATOM 0 HA ASN A 6 -5.871 9.378 5.053 1.00 24.15 H new ATOM 0 HB2 ASN A 6 -5.800 8.569 2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.242 7.881 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.821 10.946 2.241 1.00 43.31 H new ATOM 0 HD22 ASN A 6 -8.670 9.222 1.887 1.00 43.31 H new ATOM 83 N ASP A 7 -7.646 7.316 5.408 1.00 54.33 N ATOM 84 CA ASP A 7 -8.328 6.242 6.121 1.00 4.44 C ATOM 85 C ASP A 7 -8.864 5.198 5.148 1.00 62.42 C ATOM 86 O ASP A 7 -9.779 4.441 5.474 1.00 33.04 O ATOM 87 CB ASP A 7 -9.472 6.807 6.964 1.00 12.12 C ATOM 88 CG ASP A 7 -10.738 7.015 6.156 1.00 32.45 C ATOM 89 OD1 ASP A 7 -10.711 7.826 5.207 1.00 4.13 O ATOM 90 OD2 ASP A 7 -11.756 6.365 6.473 1.00 75.12 O ATOM 0 H ASP A 7 -8.260 8.065 5.087 1.00 54.33 H new ATOM 0 HA ASP A 7 -7.605 5.760 6.780 1.00 4.44 H new ATOM 0 HB2 ASP A 7 -9.680 6.128 7.791 1.00 12.12 H new ATOM 0 HB3 ASP A 7 -9.163 7.757 7.401 1.00 12.12 H new ATOM 95 N LEU A 8 -8.289 5.162 3.951 1.00 60.03 N ATOM 96 CA LEU A 8 -8.710 4.210 2.928 1.00 4.40 C ATOM 97 C LEU A 8 -8.260 2.796 3.282 1.00 13.41 C ATOM 98 O LEU A 8 -8.801 1.815 2.770 1.00 2.10 O ATOM 99 CB LEU A 8 -8.142 4.612 1.565 1.00 21.15 C ATOM 100 CG LEU A 8 -9.088 5.384 0.645 1.00 10.24 C ATOM 101 CD1 LEU A 8 -10.267 4.513 0.240 1.00 40.43 C ATOM 102 CD2 LEU A 8 -9.572 6.657 1.325 1.00 43.13 C ATOM 0 H LEU A 8 -7.530 5.781 3.665 1.00 60.03 H new ATOM 0 HA LEU A 8 -9.799 4.224 2.880 1.00 4.40 H new ATOM 0 HB2 LEU A 8 -7.252 5.219 1.729 1.00 21.15 H new ATOM 0 HB3 LEU A 8 -7.821 3.708 1.047 1.00 21.15 H new ATOM 0 HG LEU A 8 -8.541 5.662 -0.256 1.00 10.24 H new ATOM 0 HD11 LEU A 8 -10.930 5.079 -0.415 1.00 40.43 H new ATOM 0 HD12 LEU A 8 -9.904 3.631 -0.287 1.00 40.43 H new ATOM 0 HD13 LEU A 8 -10.814 4.204 1.131 1.00 40.43 H new ATOM 0 HD21 LEU A 8 -10.244 7.194 0.656 1.00 43.13 H new ATOM 0 HD22 LEU A 8 -10.102 6.401 2.242 1.00 43.13 H new ATOM 0 HD23 LEU A 8 -8.717 7.289 1.564 1.00 43.13 H new ATOM 114 N LEU A 9 -7.270 2.699 4.162 1.00 32.03 N ATOM 115 CA LEU A 9 -6.749 1.404 4.588 1.00 52.44 C ATOM 116 C LEU A 9 -7.163 1.096 6.023 1.00 74.42 C ATOM 117 O LEU A 9 -7.515 1.985 6.798 1.00 21.35 O ATOM 118 CB LEU A 9 -5.224 1.382 4.469 1.00 53.22 C ATOM 119 CG LEU A 9 -4.512 2.713 4.715 1.00 34.13 C ATOM 120 CD1 LEU A 9 -4.692 3.155 6.159 1.00 30.24 C ATOM 121 CD2 LEU A 9 -3.035 2.599 4.370 1.00 3.13 C ATOM 0 H LEU A 9 -6.812 3.501 4.595 1.00 32.03 H new ATOM 0 HA LEU A 9 -7.169 0.638 3.936 1.00 52.44 H new ATOM 0 HB2 LEU A 9 -4.835 0.649 5.176 1.00 53.22 H new ATOM 0 HB3 LEU A 9 -4.963 1.032 3.470 1.00 53.22 H new ATOM 0 HG LEU A 9 -4.958 3.468 4.067 1.00 34.13 H new ATOM 0 HD11 LEU A 9 -4.179 4.104 6.316 1.00 30.24 H new ATOM 0 HD12 LEU A 9 -5.754 3.277 6.372 1.00 30.24 H new ATOM 0 HD13 LEU A 9 -4.273 2.401 6.825 1.00 30.24 H new ATOM 0 HD21 LEU A 9 -2.544 3.555 4.551 1.00 3.13 H new ATOM 0 HD22 LEU A 9 -2.574 1.831 4.992 1.00 3.13 H new ATOM 0 HD23 LEU A 9 -2.927 2.329 3.320 1.00 3.13 H new ATOM 133 N PRO A 10 -7.120 -0.195 6.387 1.00 43.40 N ATOM 134 CA PRO A 10 -7.484 -0.650 7.732 1.00 72.33 C ATOM 135 C PRO A 10 -6.471 -0.217 8.785 1.00 24.13 C ATOM 136 O PRO A 10 -5.366 0.229 8.473 1.00 74.33 O ATOM 137 CB PRO A 10 -7.498 -2.175 7.598 1.00 61.11 C ATOM 138 CG PRO A 10 -6.574 -2.464 6.465 1.00 31.35 C ATOM 139 CD PRO A 10 -6.710 -1.308 5.514 1.00 14.22 C ATOM 0 HA PRO A 10 -8.433 -0.228 8.062 1.00 72.33 H new ATOM 0 HB2 PRO A 10 -7.161 -2.656 8.516 1.00 61.11 H new ATOM 0 HB3 PRO A 10 -8.503 -2.545 7.394 1.00 61.11 H new ATOM 0 HG2 PRO A 10 -5.546 -2.562 6.815 1.00 31.35 H new ATOM 0 HG3 PRO A 10 -6.836 -3.403 5.978 1.00 31.35 H new ATOM 0 HD2 PRO A 10 -5.770 -1.094 5.004 1.00 14.22 H new ATOM 0 HD3 PRO A 10 -7.453 -1.508 4.742 1.00 14.22 H new ATOM 147 N PRO A 11 -6.852 -0.351 10.064 1.00 4.44 N ATOM 148 CA PRO A 11 -5.989 0.021 11.190 1.00 32.21 C ATOM 149 C PRO A 11 -4.799 -0.920 11.344 1.00 74.40 C ATOM 150 O PRO A 11 -3.780 -0.555 11.928 1.00 21.44 O ATOM 151 CB PRO A 11 -6.919 -0.090 12.401 1.00 70.40 C ATOM 152 CG PRO A 11 -7.962 -1.071 11.989 1.00 53.32 C ATOM 153 CD PRO A 11 -8.153 -0.875 10.510 1.00 15.22 C ATOM 0 HA PRO A 11 -5.553 1.011 11.060 1.00 32.21 H new ATOM 0 HB2 PRO A 11 -6.380 -0.433 13.284 1.00 70.40 H new ATOM 0 HB3 PRO A 11 -7.360 0.875 12.651 1.00 70.40 H new ATOM 0 HG2 PRO A 11 -7.648 -2.091 12.210 1.00 53.32 H new ATOM 0 HG3 PRO A 11 -8.893 -0.900 12.529 1.00 53.32 H new ATOM 0 HD2 PRO A 11 -8.402 -1.811 10.010 1.00 15.22 H new ATOM 0 HD3 PRO A 11 -8.962 -0.175 10.299 1.00 15.22 H new ATOM 161 N GLU A 12 -4.937 -2.132 10.815 1.00 31.44 N ATOM 162 CA GLU A 12 -3.872 -3.125 10.895 1.00 33.44 C ATOM 163 C GLU A 12 -2.709 -2.750 9.982 1.00 23.22 C ATOM 164 O GLU A 12 -1.544 -2.858 10.365 1.00 4.15 O ATOM 165 CB GLU A 12 -4.405 -4.509 10.518 1.00 75.01 C ATOM 166 CG GLU A 12 -5.055 -4.557 9.145 1.00 22.41 C ATOM 167 CD GLU A 12 -6.258 -5.479 9.101 1.00 61.32 C ATOM 168 OE1 GLU A 12 -6.099 -6.679 9.409 1.00 45.15 O ATOM 169 OE2 GLU A 12 -7.359 -5.000 8.759 1.00 73.15 O ATOM 0 H GLU A 12 -5.775 -2.449 10.327 1.00 31.44 H new ATOM 0 HA GLU A 12 -3.511 -3.151 11.923 1.00 33.44 H new ATOM 0 HB2 GLU A 12 -3.584 -5.226 10.548 1.00 75.01 H new ATOM 0 HB3 GLU A 12 -5.132 -4.826 11.266 1.00 75.01 H new ATOM 0 HG2 GLU A 12 -5.362 -3.551 8.857 1.00 22.41 H new ATOM 0 HG3 GLU A 12 -4.321 -4.889 8.411 1.00 22.41 H new ATOM 176 N LYS A 13 -3.033 -2.310 8.771 1.00 1.44 N ATOM 177 CA LYS A 13 -2.017 -1.917 7.802 1.00 61.20 C ATOM 178 C LYS A 13 -1.686 -0.434 7.931 1.00 40.31 C ATOM 179 O LYS A 13 -0.680 0.036 7.399 1.00 35.12 O ATOM 180 CB LYS A 13 -2.494 -2.222 6.380 1.00 32.43 C ATOM 181 CG LYS A 13 -1.552 -1.719 5.301 1.00 5.10 C ATOM 182 CD LYS A 13 -2.051 -0.423 4.685 1.00 43.31 C ATOM 183 CE LYS A 13 -2.313 -0.579 3.195 1.00 51.32 C ATOM 184 NZ LYS A 13 -1.155 -0.122 2.377 1.00 15.20 N ATOM 0 H LYS A 13 -3.992 -2.217 8.437 1.00 1.44 H new ATOM 0 HA LYS A 13 -1.114 -2.492 8.007 1.00 61.20 H new ATOM 0 HB2 LYS A 13 -2.616 -3.300 6.270 1.00 32.43 H new ATOM 0 HB3 LYS A 13 -3.476 -1.773 6.231 1.00 32.43 H new ATOM 0 HG2 LYS A 13 -0.561 -1.563 5.726 1.00 5.10 H new ATOM 0 HG3 LYS A 13 -1.450 -2.477 4.524 1.00 5.10 H new ATOM 0 HD2 LYS A 13 -2.967 -0.110 5.186 1.00 43.31 H new ATOM 0 HD3 LYS A 13 -1.315 0.365 4.846 1.00 43.31 H new ATOM 0 HE2 LYS A 13 -2.526 -1.624 2.971 1.00 51.32 H new ATOM 0 HE3 LYS A 13 -3.200 -0.008 2.920 1.00 51.32 H new ATOM 0 HZ1 LYS A 13 -1.373 -0.245 1.368 1.00 15.20 H new ATOM 0 HZ2 LYS A 13 -0.968 0.882 2.571 1.00 15.20 H new ATOM 0 HZ3 LYS A 13 -0.315 -0.684 2.620 1.00 15.20 H new ATOM 198 N ALA A 14 -2.538 0.298 8.641 1.00 3.34 N ATOM 199 CA ALA A 14 -2.333 1.727 8.843 1.00 53.40 C ATOM 200 C ALA A 14 -1.102 1.990 9.703 1.00 63.20 C ATOM 201 O ALA A 14 -0.499 3.061 9.631 1.00 64.21 O ATOM 202 CB ALA A 14 -3.566 2.352 9.479 1.00 53.43 C ATOM 0 H ALA A 14 -3.377 -0.075 9.086 1.00 3.34 H new ATOM 0 HA ALA A 14 -2.167 2.186 7.868 1.00 53.40 H new ATOM 0 HB1 ALA A 14 -3.399 3.419 9.624 1.00 53.43 H new ATOM 0 HB2 ALA A 14 -4.426 2.205 8.826 1.00 53.43 H new ATOM 0 HB3 ALA A 14 -3.757 1.880 10.443 1.00 53.43 H new ATOM 208 N PHE A 15 -0.734 1.006 10.517 1.00 45.01 N ATOM 209 CA PHE A 15 0.426 1.132 11.393 1.00 72.35 C ATOM 210 C PHE A 15 1.473 0.072 11.064 1.00 62.15 C ATOM 211 O PHE A 15 1.154 -1.108 10.918 1.00 64.24 O ATOM 212 CB PHE A 15 0.001 1.008 12.857 1.00 21.43 C ATOM 213 CG PHE A 15 -1.255 1.764 13.183 1.00 31.32 C ATOM 214 CD1 PHE A 15 -1.365 3.112 12.885 1.00 51.24 C ATOM 215 CD2 PHE A 15 -2.326 1.126 13.789 1.00 62.02 C ATOM 216 CE1 PHE A 15 -2.520 3.811 13.183 1.00 62.11 C ATOM 217 CE2 PHE A 15 -3.483 1.819 14.089 1.00 11.30 C ATOM 218 CZ PHE A 15 -3.580 3.164 13.787 1.00 62.31 C ATOM 0 H PHE A 15 -1.222 0.113 10.589 1.00 45.01 H new ATOM 0 HA PHE A 15 0.867 2.116 11.232 1.00 72.35 H new ATOM 0 HB2 PHE A 15 -0.146 -0.045 13.096 1.00 21.43 H new ATOM 0 HB3 PHE A 15 0.809 1.370 13.493 1.00 21.43 H new ATOM 0 HD1 PHE A 15 -0.538 3.623 12.414 1.00 51.24 H new ATOM 0 HD2 PHE A 15 -2.255 0.075 14.029 1.00 62.02 H new ATOM 0 HE1 PHE A 15 -2.593 4.862 12.944 1.00 62.11 H new ATOM 0 HE2 PHE A 15 -4.311 1.310 14.559 1.00 11.30 H new ATOM 0 HZ PHE A 15 -4.483 3.708 14.023 1.00 62.31 H new ATOM 228 N VAL A 16 2.726 0.502 10.947 1.00 14.34 N ATOM 229 CA VAL A 16 3.821 -0.408 10.636 1.00 20.21 C ATOM 230 C VAL A 16 4.884 -0.383 11.729 1.00 71.02 C ATOM 231 O VAL A 16 5.904 0.297 11.621 1.00 5.21 O ATOM 232 CB VAL A 16 4.478 -0.056 9.288 1.00 12.12 C ATOM 233 CG1 VAL A 16 5.464 -1.138 8.876 1.00 44.31 C ATOM 234 CG2 VAL A 16 3.418 0.147 8.216 1.00 34.23 C ATOM 0 H VAL A 16 3.007 1.476 11.063 1.00 14.34 H new ATOM 0 HA VAL A 16 3.393 -1.408 10.573 1.00 20.21 H new ATOM 0 HB VAL A 16 5.028 0.878 9.404 1.00 12.12 H new ATOM 0 HG11 VAL A 16 5.918 -0.872 7.921 1.00 44.31 H new ATOM 0 HG12 VAL A 16 6.241 -1.230 9.635 1.00 44.31 H new ATOM 0 HG13 VAL A 16 4.940 -2.089 8.776 1.00 44.31 H new ATOM 0 HG21 VAL A 16 3.900 0.395 7.270 1.00 34.23 H new ATOM 0 HG22 VAL A 16 2.839 -0.769 8.099 1.00 34.23 H new ATOM 0 HG23 VAL A 16 2.755 0.961 8.510 1.00 34.23 H new ATOM 244 N PRO A 17 4.641 -1.142 12.808 1.00 65.44 N ATOM 245 CA PRO A 17 5.567 -1.225 13.941 1.00 31.34 C ATOM 246 C PRO A 17 6.852 -1.966 13.588 1.00 42.33 C ATOM 247 O PRO A 17 6.828 -2.950 12.850 1.00 25.32 O ATOM 248 CB PRO A 17 4.772 -2.005 14.992 1.00 62.44 C ATOM 249 CG PRO A 17 3.795 -2.810 14.206 1.00 21.53 C ATOM 250 CD PRO A 17 3.446 -1.979 13.003 1.00 15.12 C ATOM 0 HA PRO A 17 5.891 -0.239 14.275 1.00 31.34 H new ATOM 0 HB2 PRO A 17 5.424 -2.644 15.588 1.00 62.44 H new ATOM 0 HB3 PRO A 17 4.265 -1.333 15.685 1.00 62.44 H new ATOM 0 HG2 PRO A 17 4.227 -3.765 13.908 1.00 21.53 H new ATOM 0 HG3 PRO A 17 2.907 -3.032 14.798 1.00 21.53 H new ATOM 0 HD2 PRO A 17 3.244 -2.600 12.130 1.00 15.12 H new ATOM 0 HD3 PRO A 17 2.556 -1.374 13.177 1.00 15.12 H new ATOM 258 N GLU A 18 7.972 -1.485 14.119 1.00 61.01 N ATOM 259 CA GLU A 18 9.267 -2.103 13.858 1.00 50.42 C ATOM 260 C GLU A 18 10.154 -2.053 15.099 1.00 54.42 C ATOM 261 O GLU A 18 10.342 -0.994 15.699 1.00 1.40 O ATOM 262 CB GLU A 18 9.965 -1.402 12.690 1.00 11.13 C ATOM 263 CG GLU A 18 11.312 -2.008 12.335 1.00 43.44 C ATOM 264 CD GLU A 18 11.892 -1.431 11.058 1.00 62.14 C ATOM 265 OE1 GLU A 18 11.220 -1.519 10.009 1.00 71.22 O ATOM 266 OE2 GLU A 18 13.018 -0.892 11.107 1.00 74.43 O ATOM 0 H GLU A 18 8.009 -0.670 14.732 1.00 61.01 H new ATOM 0 HA GLU A 18 9.097 -3.147 13.596 1.00 50.42 H new ATOM 0 HB2 GLU A 18 9.317 -1.440 11.815 1.00 11.13 H new ATOM 0 HB3 GLU A 18 10.103 -0.350 12.939 1.00 11.13 H new ATOM 0 HG2 GLU A 18 12.010 -1.839 13.155 1.00 43.44 H new ATOM 0 HG3 GLU A 18 11.203 -3.087 12.225 1.00 43.44 H new ATOM 273 N LEU A 19 10.695 -3.205 15.478 1.00 3.32 N ATOM 274 CA LEU A 19 11.562 -3.294 16.648 1.00 21.12 C ATOM 275 C LEU A 19 13.023 -3.435 16.234 1.00 63.02 C ATOM 276 O LEU A 19 13.333 -4.053 15.216 1.00 62.50 O ATOM 277 CB LEU A 19 11.151 -4.480 17.522 1.00 24.33 C ATOM 278 CG LEU A 19 11.475 -4.360 19.012 1.00 64.42 C ATOM 279 CD1 LEU A 19 12.963 -4.567 19.253 1.00 74.41 C ATOM 280 CD2 LEU A 19 11.030 -3.008 19.547 1.00 14.44 C ATOM 0 H LEU A 19 10.549 -4.090 14.993 1.00 3.32 H new ATOM 0 HA LEU A 19 11.454 -2.373 17.221 1.00 21.12 H new ATOM 0 HB2 LEU A 19 10.077 -4.629 17.415 1.00 24.33 H new ATOM 0 HB3 LEU A 19 11.637 -5.376 17.136 1.00 24.33 H new ATOM 0 HG LEU A 19 10.929 -5.137 19.547 1.00 64.42 H new ATOM 0 HD11 LEU A 19 13.175 -4.478 20.319 1.00 74.41 H new ATOM 0 HD12 LEU A 19 13.253 -5.559 18.907 1.00 74.41 H new ATOM 0 HD13 LEU A 19 13.529 -3.812 18.706 1.00 74.41 H new ATOM 0 HD21 LEU A 19 11.268 -2.940 20.608 1.00 14.44 H new ATOM 0 HD22 LEU A 19 11.548 -2.215 19.008 1.00 14.44 H new ATOM 0 HD23 LEU A 19 9.954 -2.898 19.409 1.00 14.44 H new ATOM 292 N ALA A 20 13.917 -2.859 17.031 1.00 42.13 N ATOM 293 CA ALA A 20 15.346 -2.924 16.749 1.00 11.11 C ATOM 294 C ALA A 20 16.159 -2.948 18.039 1.00 61.51 C ATOM 295 O ALA A 20 16.316 -1.925 18.705 1.00 31.44 O ATOM 296 CB ALA A 20 15.767 -1.748 15.880 1.00 74.00 C ATOM 0 H ALA A 20 13.677 -2.342 17.877 1.00 42.13 H new ATOM 0 HA ALA A 20 15.543 -3.850 16.208 1.00 11.11 H new ATOM 0 HB1 ALA A 20 16.836 -1.810 15.678 1.00 74.00 H new ATOM 0 HB2 ALA A 20 15.217 -1.776 14.939 1.00 74.00 H new ATOM 0 HB3 ALA A 20 15.549 -0.815 16.400 1.00 74.00 H new ATOM 302 N VAL A 21 16.674 -4.124 18.386 1.00 43.30 N ATOM 303 CA VAL A 21 17.472 -4.281 19.596 1.00 20.31 C ATOM 304 C VAL A 21 18.886 -3.748 19.396 1.00 50.34 C ATOM 305 O VAL A 21 19.505 -3.976 18.357 1.00 52.33 O ATOM 306 CB VAL A 21 17.549 -5.757 20.030 1.00 73.35 C ATOM 307 CG1 VAL A 21 18.508 -5.922 21.199 1.00 52.43 C ATOM 308 CG2 VAL A 21 16.165 -6.280 20.387 1.00 44.15 C ATOM 0 H VAL A 21 16.553 -4.981 17.846 1.00 43.30 H new ATOM 0 HA VAL A 21 16.977 -3.705 20.378 1.00 20.31 H new ATOM 0 HB VAL A 21 17.930 -6.343 19.194 1.00 73.35 H new ATOM 0 HG11 VAL A 21 18.549 -6.971 21.491 1.00 52.43 H new ATOM 0 HG12 VAL A 21 19.503 -5.589 20.903 1.00 52.43 H new ATOM 0 HG13 VAL A 21 18.161 -5.324 22.042 1.00 52.43 H new ATOM 0 HG21 VAL A 21 16.238 -7.324 20.691 1.00 44.15 H new ATOM 0 HG22 VAL A 21 15.754 -5.691 21.207 1.00 44.15 H new ATOM 0 HG23 VAL A 21 15.511 -6.200 19.519 1.00 44.15 H new ATOM 318 N ALA A 22 19.392 -3.036 20.398 1.00 73.41 N ATOM 319 CA ALA A 22 20.734 -2.472 20.333 1.00 22.30 C ATOM 320 C ALA A 22 21.567 -2.897 21.538 1.00 70.13 C ATOM 321 O ALA A 22 21.107 -3.665 22.383 1.00 54.20 O ATOM 322 CB ALA A 22 20.665 -0.955 20.245 1.00 3.12 C ATOM 0 H ALA A 22 18.892 -2.836 21.264 1.00 73.41 H new ATOM 0 HA ALA A 22 21.220 -2.855 19.435 1.00 22.30 H new ATOM 0 HB1 ALA A 22 21.675 -0.547 20.197 1.00 3.12 H new ATOM 0 HB2 ALA A 22 20.114 -0.667 19.349 1.00 3.12 H new ATOM 0 HB3 ALA A 22 20.156 -0.562 21.125 1.00 3.12 H new ATOM 328 N ASP A 23 22.794 -2.394 21.610 1.00 43.05 N ATOM 329 CA ASP A 23 23.692 -2.721 22.712 1.00 74.34 C ATOM 330 C ASP A 23 23.516 -1.739 23.865 1.00 4.42 C ATOM 331 O ASP A 23 23.917 -2.016 24.996 1.00 51.41 O ATOM 332 CB ASP A 23 25.145 -2.713 22.234 1.00 14.31 C ATOM 333 CG ASP A 23 26.015 -3.682 23.010 1.00 12.43 C ATOM 334 OD1 ASP A 23 26.052 -4.873 22.639 1.00 21.11 O ATOM 335 OD2 ASP A 23 26.658 -3.248 23.990 1.00 71.55 O ATOM 0 H ASP A 23 23.190 -1.758 20.918 1.00 43.05 H new ATOM 0 HA ASP A 23 23.442 -3.720 23.069 1.00 74.34 H new ATOM 0 HB2 ASP A 23 25.177 -2.968 21.175 1.00 14.31 H new ATOM 0 HB3 ASP A 23 25.551 -1.706 22.332 1.00 14.31 H new ATOM 340 N ASP A 24 22.917 -0.590 23.571 1.00 31.22 N ATOM 341 CA ASP A 24 22.689 0.434 24.584 1.00 54.23 C ATOM 342 C ASP A 24 21.196 0.635 24.826 1.00 0.44 C ATOM 343 O ASP A 24 20.781 1.634 25.413 1.00 41.12 O ATOM 344 CB ASP A 24 23.331 1.755 24.157 1.00 2.15 C ATOM 345 CG ASP A 24 24.691 1.969 24.793 1.00 70.02 C ATOM 346 OD1 ASP A 24 24.758 2.058 26.037 1.00 73.41 O ATOM 347 OD2 ASP A 24 25.689 2.047 24.046 1.00 34.20 O ATOM 0 H ASP A 24 22.581 -0.345 22.640 1.00 31.22 H new ATOM 0 HA ASP A 24 23.148 0.099 25.514 1.00 54.23 H new ATOM 0 HB2 ASP A 24 23.434 1.772 23.072 1.00 2.15 H new ATOM 0 HB3 ASP A 24 22.672 2.580 24.428 1.00 2.15 H new ATOM 352 N GLY A 25 20.393 -0.321 24.370 1.00 50.04 N ATOM 353 CA GLY A 25 18.955 -0.229 24.546 1.00 64.34 C ATOM 354 C GLY A 25 18.190 -0.745 23.343 1.00 21.22 C ATOM 355 O GLY A 25 18.777 -1.309 22.419 1.00 1.14 O ATOM 0 H GLY A 25 20.712 -1.158 23.882 1.00 50.04 H new ATOM 0 HA2 GLY A 25 18.663 -0.797 25.429 1.00 64.34 H new ATOM 0 HA3 GLY A 25 18.680 0.810 24.729 1.00 64.34 H new ATOM 359 N VAL A 26 16.875 -0.554 23.354 1.00 34.12 N ATOM 360 CA VAL A 26 16.027 -1.005 22.257 1.00 44.44 C ATOM 361 C VAL A 26 15.281 0.164 21.623 1.00 41.00 C ATOM 362 O VAL A 26 14.804 1.059 22.319 1.00 42.53 O ATOM 363 CB VAL A 26 15.006 -2.055 22.731 1.00 72.31 C ATOM 364 CG1 VAL A 26 14.136 -2.516 21.571 1.00 12.23 C ATOM 365 CG2 VAL A 26 15.716 -3.235 23.376 1.00 24.25 C ATOM 0 H VAL A 26 16.373 -0.090 24.111 1.00 34.12 H new ATOM 0 HA VAL A 26 16.684 -1.458 21.515 1.00 44.44 H new ATOM 0 HB VAL A 26 14.360 -1.596 23.479 1.00 72.31 H new ATOM 0 HG11 VAL A 26 13.420 -3.258 21.925 1.00 12.23 H new ATOM 0 HG12 VAL A 26 13.599 -1.662 21.157 1.00 12.23 H new ATOM 0 HG13 VAL A 26 14.765 -2.958 20.798 1.00 12.23 H new ATOM 0 HG21 VAL A 26 14.979 -3.967 23.705 1.00 24.25 H new ATOM 0 HG22 VAL A 26 16.387 -3.696 22.651 1.00 24.25 H new ATOM 0 HG23 VAL A 26 16.291 -2.888 24.234 1.00 24.25 H new ATOM 375 N ASN A 27 15.184 0.148 20.298 1.00 75.15 N ATOM 376 CA ASN A 27 14.495 1.207 19.569 1.00 52.11 C ATOM 377 C ASN A 27 13.305 0.649 18.794 1.00 40.32 C ATOM 378 O ASN A 27 13.434 -0.328 18.056 1.00 52.31 O ATOM 379 CB ASN A 27 15.460 1.906 18.610 1.00 65.24 C ATOM 380 CG ASN A 27 16.270 2.991 19.293 1.00 52.23 C ATOM 381 OD1 ASN A 27 16.078 3.272 20.476 1.00 43.11 O ATOM 382 ND2 ASN A 27 17.180 3.607 18.548 1.00 43.51 N ATOM 0 H ASN A 27 15.574 -0.586 19.707 1.00 75.15 H new ATOM 0 HA ASN A 27 14.126 1.932 20.294 1.00 52.11 H new ATOM 0 HB2 ASN A 27 16.137 1.169 18.178 1.00 65.24 H new ATOM 0 HB3 ASN A 27 14.896 2.342 17.785 1.00 65.24 H new ATOM 0 HD21 ASN A 27 17.755 4.346 18.952 1.00 43.51 H new ATOM 0 HD22 ASN A 27 17.305 3.341 17.571 1.00 43.51 H new ATOM 389 N VAL A 28 12.146 1.277 18.966 1.00 3.43 N ATOM 390 CA VAL A 28 10.933 0.846 18.282 1.00 23.42 C ATOM 391 C VAL A 28 10.288 2.001 17.526 1.00 13.41 C ATOM 392 O VAL A 28 10.023 3.059 18.097 1.00 1.43 O ATOM 393 CB VAL A 28 9.910 0.258 19.272 1.00 55.42 C ATOM 394 CG1 VAL A 28 9.448 1.322 20.257 1.00 25.30 C ATOM 395 CG2 VAL A 28 8.726 -0.336 18.523 1.00 11.24 C ATOM 0 H VAL A 28 12.022 2.087 19.574 1.00 3.43 H new ATOM 0 HA VAL A 28 11.227 0.072 17.573 1.00 23.42 H new ATOM 0 HB VAL A 28 10.393 -0.540 19.836 1.00 55.42 H new ATOM 0 HG11 VAL A 28 8.726 0.888 20.949 1.00 25.30 H new ATOM 0 HG12 VAL A 28 10.305 1.697 20.816 1.00 25.30 H new ATOM 0 HG13 VAL A 28 8.982 2.143 19.713 1.00 25.30 H new ATOM 0 HG21 VAL A 28 8.013 -0.747 19.237 1.00 11.24 H new ATOM 0 HG22 VAL A 28 8.241 0.442 17.933 1.00 11.24 H new ATOM 0 HG23 VAL A 28 9.075 -1.129 17.861 1.00 11.24 H new ATOM 405 N ARG A 29 10.036 1.792 16.238 1.00 22.41 N ATOM 406 CA ARG A 29 9.422 2.816 15.403 1.00 53.42 C ATOM 407 C ARG A 29 8.220 2.255 14.649 1.00 61.55 C ATOM 408 O ARG A 29 8.303 1.193 14.030 1.00 1.20 O ATOM 409 CB ARG A 29 10.443 3.377 14.411 1.00 22.35 C ATOM 410 CG ARG A 29 9.876 4.446 13.492 1.00 4.11 C ATOM 411 CD ARG A 29 9.442 3.860 12.158 1.00 50.43 C ATOM 412 NE ARG A 29 10.582 3.434 11.350 1.00 14.10 N ATOM 413 CZ ARG A 29 11.388 4.277 10.714 1.00 21.34 C ATOM 414 NH1 ARG A 29 11.181 5.584 10.793 1.00 63.04 N ATOM 415 NH2 ARG A 29 12.404 3.812 9.999 1.00 45.01 N ATOM 0 H ARG A 29 10.248 0.922 15.750 1.00 22.41 H new ATOM 0 HA ARG A 29 9.078 3.620 16.054 1.00 53.42 H new ATOM 0 HB2 ARG A 29 11.283 3.795 14.965 1.00 22.35 H new ATOM 0 HB3 ARG A 29 10.835 2.560 13.805 1.00 22.35 H new ATOM 0 HG2 ARG A 29 9.025 4.927 13.974 1.00 4.11 H new ATOM 0 HG3 ARG A 29 10.626 5.219 13.324 1.00 4.11 H new ATOM 0 HD2 ARG A 29 8.784 3.009 12.333 1.00 50.43 H new ATOM 0 HD3 ARG A 29 8.864 4.602 11.607 1.00 50.43 H new ATOM 0 HE ARG A 29 10.769 2.435 11.270 1.00 14.10 H new ATOM 0 HH11 ARG A 29 10.401 5.945 11.343 1.00 63.04 H new ATOM 0 HH12 ARG A 29 11.801 6.229 10.304 1.00 63.04 H new ATOM 0 HH21 ARG A 29 12.567 2.807 9.937 1.00 45.01 H new ATOM 0 HH22 ARG A 29 13.023 4.460 9.511 1.00 45.01 H new ATOM 429 N PHE A 30 7.104 2.973 14.705 1.00 52.32 N ATOM 430 CA PHE A 30 5.885 2.546 14.028 1.00 14.15 C ATOM 431 C PHE A 30 5.395 3.619 13.061 1.00 53.52 C ATOM 432 O PHE A 30 5.140 4.757 13.456 1.00 1.22 O ATOM 433 CB PHE A 30 4.792 2.230 15.052 1.00 24.42 C ATOM 434 CG PHE A 30 5.145 2.644 16.452 1.00 31.33 C ATOM 435 CD1 PHE A 30 5.977 1.857 17.233 1.00 42.54 C ATOM 436 CD2 PHE A 30 4.644 3.819 16.988 1.00 35.13 C ATOM 437 CE1 PHE A 30 6.304 2.236 18.521 1.00 30.23 C ATOM 438 CE2 PHE A 30 4.967 4.203 18.276 1.00 61.40 C ATOM 439 CZ PHE A 30 5.797 3.409 19.044 1.00 43.51 C ATOM 0 H PHE A 30 7.018 3.854 15.212 1.00 52.32 H new ATOM 0 HA PHE A 30 6.112 1.645 13.458 1.00 14.15 H new ATOM 0 HB2 PHE A 30 3.871 2.731 14.755 1.00 24.42 H new ATOM 0 HB3 PHE A 30 4.591 1.159 15.038 1.00 24.42 H new ATOM 0 HD1 PHE A 30 6.374 0.937 16.830 1.00 42.54 H new ATOM 0 HD2 PHE A 30 3.993 4.442 16.393 1.00 35.13 H new ATOM 0 HE1 PHE A 30 6.956 1.615 19.118 1.00 30.23 H new ATOM 0 HE2 PHE A 30 4.571 5.122 18.681 1.00 61.40 H new ATOM 0 HZ PHE A 30 6.049 3.705 20.052 1.00 43.51 H new ATOM 449 N ARG A 31 5.266 3.249 11.791 1.00 31.31 N ATOM 450 CA ARG A 31 4.809 4.179 10.766 1.00 13.21 C ATOM 451 C ARG A 31 3.285 4.188 10.681 1.00 43.52 C ATOM 452 O ARG A 31 2.667 3.181 10.337 1.00 60.35 O ATOM 453 CB ARG A 31 5.404 3.807 9.407 1.00 60.20 C ATOM 454 CG ARG A 31 6.921 3.710 9.412 1.00 31.24 C ATOM 455 CD ARG A 31 7.531 4.456 8.236 1.00 70.51 C ATOM 456 NE ARG A 31 8.683 3.751 7.680 1.00 41.34 N ATOM 457 CZ ARG A 31 9.222 4.041 6.501 1.00 64.03 C ATOM 458 NH1 ARG A 31 8.717 5.016 5.758 1.00 13.12 N ATOM 459 NH2 ARG A 31 10.270 3.355 6.063 1.00 63.15 N ATOM 0 H ARG A 31 5.472 2.311 11.447 1.00 31.31 H new ATOM 0 HA ARG A 31 5.147 5.178 11.041 1.00 13.21 H new ATOM 0 HB2 ARG A 31 4.988 2.851 9.087 1.00 60.20 H new ATOM 0 HB3 ARG A 31 5.098 4.550 8.670 1.00 60.20 H new ATOM 0 HG2 ARG A 31 7.310 4.119 10.345 1.00 31.24 H new ATOM 0 HG3 ARG A 31 7.220 2.662 9.374 1.00 31.24 H new ATOM 0 HD2 ARG A 31 6.777 4.588 7.460 1.00 70.51 H new ATOM 0 HD3 ARG A 31 7.836 5.452 8.557 1.00 70.51 H new ATOM 0 HE ARG A 31 9.096 2.995 8.226 1.00 41.34 H new ATOM 0 HH11 ARG A 31 7.912 5.546 6.091 1.00 13.12 H new ATOM 0 HH12 ARG A 31 9.134 5.236 4.853 1.00 13.12 H new ATOM 0 HH21 ARG A 31 10.662 2.605 6.632 1.00 63.15 H new ATOM 0 HH22 ARG A 31 10.683 3.578 5.158 1.00 63.15 H new ATOM 473 N ILE A 32 2.687 5.332 10.997 1.00 42.12 N ATOM 474 CA ILE A 32 1.237 5.472 10.955 1.00 11.13 C ATOM 475 C ILE A 32 0.787 6.155 9.668 1.00 62.30 C ATOM 476 O ILE A 32 1.481 7.023 9.139 1.00 74.32 O ATOM 477 CB ILE A 32 0.714 6.277 12.160 1.00 43.34 C ATOM 478 CG1 ILE A 32 1.048 5.555 13.467 1.00 52.41 C ATOM 479 CG2 ILE A 32 -0.786 6.498 12.038 1.00 10.32 C ATOM 480 CD1 ILE A 32 1.639 6.462 14.524 1.00 70.12 C ATOM 0 H ILE A 32 3.184 6.175 11.285 1.00 42.12 H new ATOM 0 HA ILE A 32 0.822 4.465 10.993 1.00 11.13 H new ATOM 0 HB ILE A 32 1.205 7.250 12.169 1.00 43.34 H new ATOM 0 HG12 ILE A 32 0.142 5.095 13.860 1.00 52.41 H new ATOM 0 HG13 ILE A 32 1.750 4.748 13.258 1.00 52.41 H new ATOM 0 HG21 ILE A 32 -1.141 7.068 12.897 1.00 10.32 H new ATOM 0 HG22 ILE A 32 -0.999 7.050 11.123 1.00 10.32 H new ATOM 0 HG23 ILE A 32 -1.294 5.534 12.007 1.00 10.32 H new ATOM 0 HD11 ILE A 32 1.851 5.883 15.423 1.00 70.12 H new ATOM 0 HD12 ILE A 32 2.563 6.903 14.150 1.00 70.12 H new ATOM 0 HD13 ILE A 32 0.929 7.254 14.762 1.00 70.12 H new ATOM 492 N ALA A 33 -0.379 5.757 9.170 1.00 13.33 N ATOM 493 CA ALA A 33 -0.924 6.333 7.947 1.00 10.32 C ATOM 494 C ALA A 33 -1.227 7.817 8.127 1.00 72.14 C ATOM 495 O ALA A 33 -1.614 8.255 9.211 1.00 65.44 O ATOM 496 CB ALA A 33 -2.179 5.584 7.524 1.00 64.30 C ATOM 0 H ALA A 33 -0.964 5.038 9.595 1.00 13.33 H new ATOM 0 HA ALA A 33 -0.174 6.234 7.163 1.00 10.32 H new ATOM 0 HB1 ALA A 33 -2.575 6.025 6.609 1.00 64.30 H new ATOM 0 HB2 ALA A 33 -1.935 4.537 7.346 1.00 64.30 H new ATOM 0 HB3 ALA A 33 -2.927 5.653 8.314 1.00 64.30 H new ATOM 502 N ASP A 34 -1.049 8.586 7.058 1.00 20.21 N ATOM 503 CA ASP A 34 -1.304 10.021 7.098 1.00 40.13 C ATOM 504 C ASP A 34 -2.749 10.306 7.496 1.00 23.53 C ATOM 505 O ASP A 34 -3.074 11.402 7.948 1.00 13.51 O ATOM 506 CB ASP A 34 -1.003 10.652 5.737 1.00 35.22 C ATOM 507 CG ASP A 34 -0.070 11.842 5.844 1.00 31.31 C ATOM 508 OD1 ASP A 34 -0.556 12.950 6.151 1.00 44.44 O ATOM 509 OD2 ASP A 34 1.146 11.664 5.620 1.00 11.33 O ATOM 0 H ASP A 34 -0.729 8.239 6.154 1.00 20.21 H new ATOM 0 HA ASP A 34 -0.646 10.461 7.848 1.00 40.13 H new ATOM 0 HB2 ASP A 34 -0.558 9.902 5.083 1.00 35.22 H new ATOM 0 HB3 ASP A 34 -1.937 10.967 5.271 1.00 35.22 H new ATOM 514 N GLY A 35 -3.612 9.309 7.324 1.00 31.03 N ATOM 515 CA GLY A 35 -5.012 9.473 7.670 1.00 71.53 C ATOM 516 C GLY A 35 -5.306 9.074 9.102 1.00 12.54 C ATOM 517 O GLY A 35 -6.460 9.080 9.531 1.00 34.40 O ATOM 0 H GLY A 35 -3.367 8.392 6.952 1.00 31.03 H new ATOM 0 HA2 GLY A 35 -5.301 10.513 7.519 1.00 71.53 H new ATOM 0 HA3 GLY A 35 -5.622 8.872 6.996 1.00 71.53 H new ATOM 521 N TYR A 36 -4.261 8.727 9.845 1.00 42.15 N ATOM 522 CA TYR A 36 -4.413 8.320 11.236 1.00 1.24 C ATOM 523 C TYR A 36 -3.400 9.033 12.126 1.00 5.34 C ATOM 524 O TYR A 36 -2.391 9.551 11.647 1.00 43.15 O ATOM 525 CB TYR A 36 -4.247 6.805 11.368 1.00 42.31 C ATOM 526 CG TYR A 36 -5.380 6.016 10.751 1.00 3.24 C ATOM 527 CD1 TYR A 36 -6.684 6.164 11.206 1.00 10.32 C ATOM 528 CD2 TYR A 36 -5.145 5.123 9.713 1.00 55.00 C ATOM 529 CE1 TYR A 36 -7.722 5.445 10.646 1.00 22.33 C ATOM 530 CE2 TYR A 36 -6.177 4.400 9.146 1.00 14.30 C ATOM 531 CZ TYR A 36 -7.464 4.564 9.616 1.00 5.25 C ATOM 532 OH TYR A 36 -8.495 3.847 9.055 1.00 22.41 O ATOM 0 H TYR A 36 -3.299 8.720 9.506 1.00 42.15 H new ATOM 0 HA TYR A 36 -5.415 8.598 11.561 1.00 1.24 H new ATOM 0 HB2 TYR A 36 -3.310 6.508 10.897 1.00 42.31 H new ATOM 0 HB3 TYR A 36 -4.169 6.547 12.424 1.00 42.31 H new ATOM 0 HD1 TYR A 36 -6.890 6.853 12.012 1.00 10.32 H new ATOM 0 HD2 TYR A 36 -4.139 4.992 9.343 1.00 55.00 H new ATOM 0 HE1 TYR A 36 -8.730 5.572 11.012 1.00 22.33 H new ATOM 0 HE2 TYR A 36 -5.977 3.710 8.339 1.00 14.30 H new ATOM 0 HH TYR A 36 -8.147 3.285 8.331 1.00 22.41 H new ATOM 542 N TYR A 37 -3.675 9.055 13.426 1.00 55.35 N ATOM 543 CA TYR A 37 -2.790 9.706 14.384 1.00 31.10 C ATOM 544 C TYR A 37 -2.934 9.082 15.769 1.00 51.40 C ATOM 545 O TYR A 37 -4.045 8.848 16.244 1.00 70.34 O ATOM 546 CB TYR A 37 -3.091 11.204 14.453 1.00 34.00 C ATOM 547 CG TYR A 37 -4.503 11.518 14.895 1.00 41.03 C ATOM 548 CD1 TYR A 37 -4.821 11.635 16.242 1.00 23.22 C ATOM 549 CD2 TYR A 37 -5.519 11.699 13.964 1.00 22.00 C ATOM 550 CE1 TYR A 37 -6.109 11.921 16.650 1.00 71.20 C ATOM 551 CE2 TYR A 37 -6.810 11.987 14.363 1.00 62.33 C ATOM 552 CZ TYR A 37 -7.100 12.096 15.707 1.00 50.13 C ATOM 553 OH TYR A 37 -8.384 12.383 16.109 1.00 75.41 O ATOM 0 H TYR A 37 -4.504 8.629 13.840 1.00 55.35 H new ATOM 0 HA TYR A 37 -1.763 9.564 14.046 1.00 31.10 H new ATOM 0 HB2 TYR A 37 -2.390 11.676 15.142 1.00 34.00 H new ATOM 0 HB3 TYR A 37 -2.920 11.646 13.472 1.00 34.00 H new ATOM 0 HD1 TYR A 37 -4.047 11.500 16.983 1.00 23.22 H new ATOM 0 HD2 TYR A 37 -5.296 11.613 12.911 1.00 22.00 H new ATOM 0 HE1 TYR A 37 -6.339 12.007 17.702 1.00 71.20 H new ATOM 0 HE2 TYR A 37 -7.588 12.126 13.627 1.00 62.33 H new ATOM 0 HH TYR A 37 -8.960 12.477 15.322 1.00 75.41 H new ATOM 563 N MET A 38 -1.802 8.817 16.412 1.00 3.51 N ATOM 564 CA MET A 38 -1.801 8.223 17.744 1.00 44.03 C ATOM 565 C MET A 38 -1.251 9.203 18.776 1.00 73.41 C ATOM 566 O MET A 38 -0.211 9.826 18.562 1.00 31.13 O ATOM 567 CB MET A 38 -0.971 6.938 17.751 1.00 22.31 C ATOM 568 CG MET A 38 -1.808 5.674 17.865 1.00 54.35 C ATOM 569 SD MET A 38 -1.750 4.666 16.371 1.00 22.30 S ATOM 570 CE MET A 38 -2.758 3.270 16.865 1.00 3.03 C ATOM 0 H MET A 38 -0.874 9.004 16.033 1.00 3.51 H new ATOM 0 HA MET A 38 -2.831 7.984 18.009 1.00 44.03 H new ATOM 0 HB2 MET A 38 -0.381 6.892 16.836 1.00 22.31 H new ATOM 0 HB3 MET A 38 -0.267 6.974 18.583 1.00 22.31 H new ATOM 0 HG2 MET A 38 -1.455 5.084 18.711 1.00 54.35 H new ATOM 0 HG3 MET A 38 -2.842 5.946 18.076 1.00 54.35 H new ATOM 0 HE1 MET A 38 -2.277 2.344 16.549 1.00 3.03 H new ATOM 0 HE2 MET A 38 -2.872 3.269 17.949 1.00 3.03 H new ATOM 0 HE3 MET A 38 -3.740 3.347 16.397 1.00 3.03 H new ATOM 580 N TYR A 39 -1.956 9.334 19.894 1.00 32.31 N ATOM 581 CA TYR A 39 -1.540 10.240 20.958 1.00 31.31 C ATOM 582 C TYR A 39 -0.285 9.723 21.654 1.00 65.12 C ATOM 583 O TYR A 39 -0.271 8.615 22.190 1.00 41.31 O ATOM 584 CB TYR A 39 -2.667 10.414 21.978 1.00 63.30 C ATOM 585 CG TYR A 39 -4.001 10.753 21.354 1.00 75.11 C ATOM 586 CD1 TYR A 39 -4.223 11.994 20.771 1.00 43.42 C ATOM 587 CD2 TYR A 39 -5.041 9.831 21.346 1.00 12.14 C ATOM 588 CE1 TYR A 39 -5.441 12.309 20.200 1.00 21.32 C ATOM 589 CE2 TYR A 39 -6.262 10.136 20.777 1.00 53.22 C ATOM 590 CZ TYR A 39 -6.457 11.376 20.205 1.00 13.35 C ATOM 591 OH TYR A 39 -7.672 11.685 19.637 1.00 42.02 O ATOM 0 H TYR A 39 -2.818 8.824 20.087 1.00 32.31 H new ATOM 0 HA TYR A 39 -1.313 11.207 20.509 1.00 31.31 H new ATOM 0 HB2 TYR A 39 -2.768 9.495 22.555 1.00 63.30 H new ATOM 0 HB3 TYR A 39 -2.393 11.202 22.679 1.00 63.30 H new ATOM 0 HD1 TYR A 39 -3.429 12.726 20.764 1.00 43.42 H new ATOM 0 HD2 TYR A 39 -4.892 8.859 21.793 1.00 12.14 H new ATOM 0 HE1 TYR A 39 -5.597 13.280 19.753 1.00 21.32 H new ATOM 0 HE2 TYR A 39 -7.060 9.408 20.780 1.00 53.22 H new ATOM 0 HH TYR A 39 -8.278 10.919 19.723 1.00 42.02 H new ATOM 601 N GLN A 40 0.768 10.535 21.640 1.00 31.55 N ATOM 602 CA GLN A 40 2.029 10.160 22.270 1.00 52.12 C ATOM 603 C GLN A 40 1.802 9.675 23.698 1.00 75.03 C ATOM 604 O GLN A 40 2.521 8.806 24.190 1.00 13.43 O ATOM 605 CB GLN A 40 2.995 11.346 22.269 1.00 24.40 C ATOM 606 CG GLN A 40 4.450 10.945 22.457 1.00 13.00 C ATOM 607 CD GLN A 40 5.385 12.138 22.484 1.00 32.15 C ATOM 608 OE1 GLN A 40 5.963 12.511 21.464 1.00 45.33 O ATOM 609 NE2 GLN A 40 5.538 12.744 23.656 1.00 33.22 N ATOM 0 H GLN A 40 0.773 11.455 21.200 1.00 31.55 H new ATOM 0 HA GLN A 40 2.465 9.344 21.694 1.00 52.12 H new ATOM 0 HB2 GLN A 40 2.894 11.886 21.327 1.00 24.40 H new ATOM 0 HB3 GLN A 40 2.711 12.036 23.064 1.00 24.40 H new ATOM 0 HG2 GLN A 40 4.552 10.387 23.388 1.00 13.00 H new ATOM 0 HG3 GLN A 40 4.745 10.275 21.650 1.00 13.00 H new ATOM 0 HE21 GLN A 40 5.039 12.401 24.477 1.00 33.22 H new ATOM 0 HE22 GLN A 40 6.155 13.553 23.735 1.00 33.22 H new ATOM 618 N ALA A 41 0.797 10.242 24.357 1.00 10.43 N ATOM 619 CA ALA A 41 0.474 9.867 25.728 1.00 22.52 C ATOM 620 C ALA A 41 -0.149 8.476 25.784 1.00 61.21 C ATOM 621 O ALA A 41 0.111 7.704 26.708 1.00 55.34 O ATOM 622 CB ALA A 41 -0.462 10.892 26.350 1.00 74.11 C ATOM 0 H ALA A 41 0.192 10.963 23.963 1.00 10.43 H new ATOM 0 HA ALA A 41 1.401 9.845 26.300 1.00 22.52 H new ATOM 0 HB1 ALA A 41 -0.694 10.599 27.374 1.00 74.11 H new ATOM 0 HB2 ALA A 41 0.020 11.870 26.353 1.00 74.11 H new ATOM 0 HB3 ALA A 41 -1.383 10.943 25.769 1.00 74.11 H new ATOM 628 N LYS A 42 -0.973 8.162 24.790 1.00 22.50 N ATOM 629 CA LYS A 42 -1.633 6.863 24.725 1.00 54.34 C ATOM 630 C LYS A 42 -0.663 5.782 24.262 1.00 63.34 C ATOM 631 O LYS A 42 -0.767 4.625 24.671 1.00 62.01 O ATOM 632 CB LYS A 42 -2.834 6.926 23.777 1.00 24.13 C ATOM 633 CG LYS A 42 -4.107 7.422 24.440 1.00 3.35 C ATOM 634 CD LYS A 42 -3.925 8.812 25.027 1.00 43.22 C ATOM 635 CE LYS A 42 -5.197 9.638 24.909 1.00 22.33 C ATOM 636 NZ LYS A 42 -6.277 9.121 25.794 1.00 32.22 N ATOM 0 H LYS A 42 -1.200 8.789 24.018 1.00 22.50 H new ATOM 0 HA LYS A 42 -1.980 6.609 25.726 1.00 54.34 H new ATOM 0 HB2 LYS A 42 -2.591 7.581 22.940 1.00 24.13 H new ATOM 0 HB3 LYS A 42 -3.013 5.933 23.364 1.00 24.13 H new ATOM 0 HG2 LYS A 42 -4.916 7.437 23.710 1.00 3.35 H new ATOM 0 HG3 LYS A 42 -4.402 6.729 25.228 1.00 3.35 H new ATOM 0 HD2 LYS A 42 -3.639 8.731 26.076 1.00 43.22 H new ATOM 0 HD3 LYS A 42 -3.110 9.321 24.513 1.00 43.22 H new ATOM 0 HE2 LYS A 42 -4.982 10.675 25.166 1.00 22.33 H new ATOM 0 HE3 LYS A 42 -5.540 9.631 23.875 1.00 22.33 H new ATOM 0 HZ1 LYS A 42 -7.127 9.710 25.685 1.00 32.22 H new ATOM 0 HZ2 LYS A 42 -6.500 8.140 25.532 1.00 32.22 H new ATOM 0 HZ3 LYS A 42 -5.959 9.152 26.784 1.00 32.22 H new ATOM 650 N ILE A 43 0.280 6.166 23.408 1.00 25.51 N ATOM 651 CA ILE A 43 1.271 5.228 22.892 1.00 13.44 C ATOM 652 C ILE A 43 2.175 4.716 24.008 1.00 64.22 C ATOM 653 O ILE A 43 2.963 5.470 24.579 1.00 22.10 O ATOM 654 CB ILE A 43 2.140 5.874 21.797 1.00 2.14 C ATOM 655 CG1 ILE A 43 1.266 6.342 20.632 1.00 45.12 C ATOM 656 CG2 ILE A 43 3.197 4.893 21.313 1.00 24.14 C ATOM 657 CD1 ILE A 43 1.790 7.584 19.945 1.00 14.32 C ATOM 0 H ILE A 43 0.379 7.119 23.059 1.00 25.51 H new ATOM 0 HA ILE A 43 0.721 4.392 22.461 1.00 13.44 H new ATOM 0 HB ILE A 43 2.645 6.743 22.219 1.00 2.14 H new ATOM 0 HG12 ILE A 43 1.188 5.537 19.901 1.00 45.12 H new ATOM 0 HG13 ILE A 43 0.259 6.537 21.000 1.00 45.12 H new ATOM 0 HG21 ILE A 43 3.803 5.364 20.539 1.00 24.14 H new ATOM 0 HG22 ILE A 43 3.835 4.604 22.148 1.00 24.14 H new ATOM 0 HG23 ILE A 43 2.711 4.007 20.904 1.00 24.14 H new ATOM 0 HD11 ILE A 43 1.121 7.858 19.129 1.00 14.32 H new ATOM 0 HD12 ILE A 43 1.842 8.403 20.663 1.00 14.32 H new ATOM 0 HD13 ILE A 43 2.785 7.387 19.547 1.00 14.32 H new ATOM 669 N VAL A 44 2.058 3.427 24.312 1.00 3.11 N ATOM 670 CA VAL A 44 2.868 2.812 25.357 1.00 33.31 C ATOM 671 C VAL A 44 3.895 1.854 24.764 1.00 30.12 C ATOM 672 O VAL A 44 3.630 1.181 23.769 1.00 42.32 O ATOM 673 CB VAL A 44 1.992 2.047 26.368 1.00 64.02 C ATOM 674 CG1 VAL A 44 2.760 1.795 27.656 1.00 24.13 C ATOM 675 CG2 VAL A 44 0.707 2.812 26.645 1.00 71.14 C ATOM 0 H VAL A 44 1.410 2.789 23.850 1.00 3.11 H new ATOM 0 HA VAL A 44 3.386 3.620 25.874 1.00 33.31 H new ATOM 0 HB VAL A 44 1.727 1.082 25.936 1.00 64.02 H new ATOM 0 HG11 VAL A 44 2.126 1.254 28.358 1.00 24.13 H new ATOM 0 HG12 VAL A 44 3.649 1.203 27.440 1.00 24.13 H new ATOM 0 HG13 VAL A 44 3.057 2.748 28.095 1.00 24.13 H new ATOM 0 HG21 VAL A 44 0.100 2.257 27.361 1.00 71.14 H new ATOM 0 HG22 VAL A 44 0.949 3.792 27.056 1.00 71.14 H new ATOM 0 HG23 VAL A 44 0.150 2.936 25.716 1.00 71.14 H new ATOM 685 N GLY A 45 5.070 1.797 25.384 1.00 40.10 N ATOM 686 CA GLY A 45 6.120 0.918 24.904 1.00 42.23 C ATOM 687 C GLY A 45 7.258 0.778 25.896 1.00 75.41 C ATOM 688 O GLY A 45 7.997 1.730 26.144 1.00 42.25 O ATOM 0 H GLY A 45 5.313 2.344 26.210 1.00 40.10 H new ATOM 0 HA2 GLY A 45 5.699 -0.066 24.697 1.00 42.23 H new ATOM 0 HA3 GLY A 45 6.509 1.303 23.961 1.00 42.23 H new ATOM 692 N LYS A 46 7.398 -0.413 26.468 1.00 71.53 N ATOM 693 CA LYS A 46 8.453 -0.677 27.439 1.00 13.23 C ATOM 694 C LYS A 46 9.038 -2.072 27.242 1.00 0.44 C ATOM 695 O LYS A 46 8.349 -2.988 26.793 1.00 60.11 O ATOM 696 CB LYS A 46 7.910 -0.536 28.863 1.00 34.51 C ATOM 697 CG LYS A 46 7.204 -1.782 29.370 1.00 32.15 C ATOM 698 CD LYS A 46 8.071 -2.555 30.350 1.00 44.31 C ATOM 699 CE LYS A 46 8.336 -3.971 29.863 1.00 62.11 C ATOM 700 NZ LYS A 46 7.528 -4.975 30.610 1.00 42.42 N ATOM 0 H LYS A 46 6.793 -1.212 26.276 1.00 71.53 H new ATOM 0 HA LYS A 46 9.246 0.055 27.285 1.00 13.23 H new ATOM 0 HB2 LYS A 46 8.734 -0.296 29.535 1.00 34.51 H new ATOM 0 HB3 LYS A 46 7.216 0.304 28.897 1.00 34.51 H new ATOM 0 HG2 LYS A 46 6.269 -1.500 29.854 1.00 32.15 H new ATOM 0 HG3 LYS A 46 6.946 -2.423 28.527 1.00 32.15 H new ATOM 0 HD2 LYS A 46 9.018 -2.034 30.489 1.00 44.31 H new ATOM 0 HD3 LYS A 46 7.580 -2.590 31.323 1.00 44.31 H new ATOM 0 HE2 LYS A 46 8.106 -4.038 28.800 1.00 62.11 H new ATOM 0 HE3 LYS A 46 9.395 -4.201 29.975 1.00 62.11 H new ATOM 0 HZ1 LYS A 46 7.737 -5.927 30.248 1.00 42.42 H new ATOM 0 HZ2 LYS A 46 7.766 -4.929 31.621 1.00 42.42 H new ATOM 0 HZ3 LYS A 46 6.516 -4.771 30.482 1.00 42.42 H new ATOM 714 N THR A 47 10.314 -2.227 27.583 1.00 52.31 N ATOM 715 CA THR A 47 10.991 -3.509 27.444 1.00 64.51 C ATOM 716 C THR A 47 11.960 -3.747 28.597 1.00 61.45 C ATOM 717 O THR A 47 12.827 -2.919 28.872 1.00 12.01 O ATOM 718 CB THR A 47 11.763 -3.596 26.114 1.00 40.14 C ATOM 719 OG1 THR A 47 12.415 -4.866 26.007 1.00 21.31 O ATOM 720 CG2 THR A 47 12.793 -2.481 26.012 1.00 22.31 C ATOM 0 H THR A 47 10.899 -1.480 27.957 1.00 52.31 H new ATOM 0 HA THR A 47 10.218 -4.277 27.458 1.00 64.51 H new ATOM 0 HB THR A 47 11.049 -3.485 25.298 1.00 40.14 H new ATOM 0 HG1 THR A 47 13.293 -4.821 26.440 1.00 21.31 H new ATOM 0 HG21 THR A 47 13.326 -2.563 25.065 1.00 22.31 H new ATOM 0 HG22 THR A 47 12.290 -1.515 26.063 1.00 22.31 H new ATOM 0 HG23 THR A 47 13.502 -2.565 26.835 1.00 22.31 H new ATOM 728 N ASN A 48 11.807 -4.885 29.267 1.00 44.04 N ATOM 729 CA ASN A 48 12.670 -5.232 30.390 1.00 12.24 C ATOM 730 C ASN A 48 12.345 -6.627 30.915 1.00 11.02 C ATOM 731 O ASN A 48 11.238 -7.139 30.744 1.00 25.45 O ATOM 732 CB ASN A 48 12.517 -4.204 31.513 1.00 3.15 C ATOM 733 CG ASN A 48 11.261 -4.426 32.333 1.00 10.44 C ATOM 734 OD1 ASN A 48 11.163 -5.391 33.091 1.00 2.01 O ATOM 735 ND2 ASN A 48 10.292 -3.530 32.185 1.00 51.13 N ATOM 0 H ASN A 48 11.094 -5.582 29.052 1.00 44.04 H new ATOM 0 HA ASN A 48 13.702 -5.227 30.039 1.00 12.24 H new ATOM 0 HB2 ASN A 48 13.388 -4.252 32.167 1.00 3.15 H new ATOM 0 HB3 ASN A 48 12.495 -3.202 31.084 1.00 3.15 H new ATOM 0 HD21 ASN A 48 9.423 -3.626 32.711 1.00 51.13 H new ATOM 0 HD22 ASN A 48 10.416 -2.745 31.545 1.00 51.13 H new ATOM 742 N PRO A 49 13.331 -7.257 31.570 1.00 21.33 N ATOM 743 CA PRO A 49 13.174 -8.601 32.135 1.00 61.14 C ATOM 744 C PRO A 49 12.233 -8.620 33.334 1.00 13.20 C ATOM 745 O PRO A 49 11.421 -9.533 33.484 1.00 42.42 O ATOM 746 CB PRO A 49 14.595 -8.974 32.564 1.00 2.43 C ATOM 747 CG PRO A 49 15.274 -7.669 32.799 1.00 3.42 C ATOM 748 CD PRO A 49 14.675 -6.706 31.811 1.00 23.41 C ATOM 0 HA PRO A 49 12.734 -9.295 31.419 1.00 61.14 H new ATOM 0 HB2 PRO A 49 14.589 -9.585 33.466 1.00 2.43 H new ATOM 0 HB3 PRO A 49 15.103 -9.551 31.792 1.00 2.43 H new ATOM 0 HG2 PRO A 49 15.117 -7.326 33.822 1.00 3.42 H new ATOM 0 HG3 PRO A 49 16.351 -7.758 32.654 1.00 3.42 H new ATOM 0 HD2 PRO A 49 14.628 -5.694 32.214 1.00 23.41 H new ATOM 0 HD3 PRO A 49 15.260 -6.657 30.893 1.00 23.41 H new ATOM 756 N ALA A 50 12.347 -7.606 34.186 1.00 54.14 N ATOM 757 CA ALA A 50 11.504 -7.505 35.370 1.00 34.05 C ATOM 758 C ALA A 50 11.303 -6.050 35.780 1.00 44.34 C ATOM 759 O ALA A 50 10.180 -5.616 36.037 1.00 62.30 O ATOM 760 CB ALA A 50 12.109 -8.299 36.518 1.00 22.42 C ATOM 0 H ALA A 50 13.015 -6.843 34.078 1.00 54.14 H new ATOM 0 HA ALA A 50 10.528 -7.924 35.126 1.00 34.05 H new ATOM 0 HB1 ALA A 50 11.469 -8.215 37.396 1.00 22.42 H new ATOM 0 HB2 ALA A 50 12.194 -9.347 36.230 1.00 22.42 H new ATOM 0 HB3 ALA A 50 13.098 -7.905 36.751 1.00 22.42 H new ATOM 766 N ASP A 51 12.399 -5.301 35.838 1.00 12.41 N ATOM 767 CA ASP A 51 12.343 -3.893 36.216 1.00 63.11 C ATOM 768 C ASP A 51 13.737 -3.273 36.209 1.00 61.23 C ATOM 769 O ASP A 51 14.113 -2.553 37.135 1.00 54.34 O ATOM 770 CB ASP A 51 11.710 -3.739 37.600 1.00 62.14 C ATOM 771 CG ASP A 51 10.761 -2.559 37.674 1.00 61.21 C ATOM 772 OD1 ASP A 51 11.235 -1.432 37.929 1.00 72.42 O ATOM 773 OD2 ASP A 51 9.544 -2.763 37.478 1.00 4.31 O ATOM 0 H ASP A 51 13.336 -5.645 35.628 1.00 12.41 H new ATOM 0 HA ASP A 51 11.728 -3.370 35.484 1.00 63.11 H new ATOM 0 HB2 ASP A 51 11.171 -4.652 37.853 1.00 62.14 H new ATOM 0 HB3 ASP A 51 12.497 -3.616 38.345 1.00 62.14 H new ATOM 778 N LEU A 52 14.500 -3.559 35.160 1.00 44.54 N ATOM 779 CA LEU A 52 15.854 -3.030 35.032 1.00 40.21 C ATOM 780 C LEU A 52 15.883 -1.830 34.091 1.00 3.50 C ATOM 781 O LEU A 52 16.559 -0.834 34.358 1.00 74.54 O ATOM 782 CB LEU A 52 16.801 -4.117 34.520 1.00 10.41 C ATOM 783 CG LEU A 52 17.354 -5.076 35.575 1.00 41.15 C ATOM 784 CD1 LEU A 52 16.425 -6.267 35.753 1.00 51.51 C ATOM 785 CD2 LEU A 52 18.752 -5.541 35.192 1.00 12.51 C ATOM 0 H LEU A 52 14.205 -4.154 34.386 1.00 44.54 H new ATOM 0 HA LEU A 52 16.185 -2.703 36.018 1.00 40.21 H new ATOM 0 HB2 LEU A 52 16.276 -4.702 33.765 1.00 10.41 H new ATOM 0 HB3 LEU A 52 17.641 -3.634 34.021 1.00 10.41 H new ATOM 0 HG LEU A 52 17.416 -4.545 36.525 1.00 41.15 H new ATOM 0 HD11 LEU A 52 16.835 -6.939 36.507 1.00 51.51 H new ATOM 0 HD12 LEU A 52 15.443 -5.918 36.073 1.00 51.51 H new ATOM 0 HD13 LEU A 52 16.330 -6.799 34.807 1.00 51.51 H new ATOM 0 HD21 LEU A 52 19.130 -6.223 35.954 1.00 12.51 H new ATOM 0 HD22 LEU A 52 18.714 -6.055 34.232 1.00 12.51 H new ATOM 0 HD23 LEU A 52 19.414 -4.679 35.116 1.00 12.51 H new ATOM 797 N LEU A 53 15.145 -1.929 32.991 1.00 44.21 N ATOM 798 CA LEU A 53 15.084 -0.850 32.011 1.00 65.14 C ATOM 799 C LEU A 53 14.747 0.477 32.682 1.00 42.41 C ATOM 800 O LEU A 53 13.987 0.520 33.648 1.00 4.55 O ATOM 801 CB LEU A 53 14.044 -1.170 30.935 1.00 4.34 C ATOM 802 CG LEU A 53 13.803 -0.080 29.890 1.00 62.30 C ATOM 803 CD1 LEU A 53 14.458 -0.454 28.569 1.00 1.41 C ATOM 804 CD2 LEU A 53 12.312 0.156 29.700 1.00 30.11 C ATOM 0 H LEU A 53 14.581 -2.745 32.755 1.00 44.21 H new ATOM 0 HA LEU A 53 16.065 -0.760 31.544 1.00 65.14 H new ATOM 0 HB2 LEU A 53 14.353 -2.079 30.418 1.00 4.34 H new ATOM 0 HB3 LEU A 53 13.097 -1.389 31.427 1.00 4.34 H new ATOM 0 HG LEU A 53 14.254 0.846 30.247 1.00 62.30 H new ATOM 0 HD11 LEU A 53 14.276 0.333 27.837 1.00 1.41 H new ATOM 0 HD12 LEU A 53 15.532 -0.572 28.716 1.00 1.41 H new ATOM 0 HD13 LEU A 53 14.036 -1.391 28.206 1.00 1.41 H new ATOM 0 HD21 LEU A 53 12.159 0.935 28.953 1.00 30.11 H new ATOM 0 HD22 LEU A 53 11.837 -0.766 29.365 1.00 30.11 H new ATOM 0 HD23 LEU A 53 11.870 0.469 30.646 1.00 30.11 H new ATOM 816 N GLY A 54 15.317 1.560 32.161 1.00 55.05 N ATOM 817 CA GLY A 54 15.062 2.874 32.721 1.00 44.43 C ATOM 818 C GLY A 54 13.685 3.399 32.367 1.00 31.12 C ATOM 819 O GLY A 54 12.685 2.974 32.946 1.00 64.22 O ATOM 0 H GLY A 54 15.950 1.550 31.362 1.00 55.05 H new ATOM 0 HA2 GLY A 54 15.162 2.829 33.805 1.00 44.43 H new ATOM 0 HA3 GLY A 54 15.817 3.572 32.360 1.00 44.43 H new ATOM 823 N GLN A 55 13.632 4.326 31.416 1.00 24.21 N ATOM 824 CA GLN A 55 12.367 4.910 30.989 1.00 53.32 C ATOM 825 C GLN A 55 12.333 5.089 29.475 1.00 44.24 C ATOM 826 O GLN A 55 13.368 5.177 28.813 1.00 53.05 O ATOM 827 CB GLN A 55 12.144 6.257 31.678 1.00 2.45 C ATOM 828 CG GLN A 55 13.382 7.139 31.704 1.00 10.54 C ATOM 829 CD GLN A 55 13.074 8.587 31.374 1.00 23.32 C ATOM 830 OE1 GLN A 55 13.003 8.967 30.205 1.00 0.23 O ATOM 831 NE2 GLN A 55 12.890 9.403 32.405 1.00 13.02 N ATOM 0 H GLN A 55 14.450 4.688 30.927 1.00 24.21 H new ATOM 0 HA GLN A 55 11.567 4.227 31.274 1.00 53.32 H new ATOM 0 HB2 GLN A 55 11.340 6.788 31.168 1.00 2.45 H new ATOM 0 HB3 GLN A 55 11.811 6.082 32.701 1.00 2.45 H new ATOM 0 HG2 GLN A 55 13.841 7.085 32.691 1.00 10.54 H new ATOM 0 HG3 GLN A 55 14.112 6.755 30.991 1.00 10.54 H new ATOM 0 HE21 GLN A 55 12.958 9.045 33.358 1.00 13.02 H new ATOM 0 HE22 GLN A 55 12.680 10.388 32.245 1.00 13.02 H new ATOM 840 N PRO A 56 11.117 5.144 28.911 1.00 4.43 N ATOM 841 CA PRO A 56 10.920 5.314 27.469 1.00 61.44 C ATOM 842 C PRO A 56 11.313 6.707 26.989 1.00 21.23 C ATOM 843 O PRO A 56 11.244 7.676 27.745 1.00 54.12 O ATOM 844 CB PRO A 56 9.417 5.090 27.288 1.00 53.05 C ATOM 845 CG PRO A 56 8.820 5.438 28.608 1.00 42.25 C ATOM 846 CD PRO A 56 9.841 5.046 29.640 1.00 43.54 C ATOM 0 HA PRO A 56 11.540 4.630 26.890 1.00 61.44 H new ATOM 0 HB2 PRO A 56 9.016 5.720 26.494 1.00 53.05 H new ATOM 0 HB3 PRO A 56 9.201 4.057 27.016 1.00 53.05 H new ATOM 0 HG2 PRO A 56 8.595 6.503 28.666 1.00 42.25 H new ATOM 0 HG3 PRO A 56 7.882 4.905 28.765 1.00 42.25 H new ATOM 0 HD2 PRO A 56 9.818 5.713 30.502 1.00 43.54 H new ATOM 0 HD3 PRO A 56 9.668 4.037 30.014 1.00 43.54 H new ATOM 854 N SER A 57 11.725 6.800 25.729 1.00 24.31 N ATOM 855 CA SER A 57 12.133 8.074 25.150 1.00 13.50 C ATOM 856 C SER A 57 11.443 8.307 23.809 1.00 64.00 C ATOM 857 O SER A 57 11.948 7.905 22.760 1.00 30.55 O ATOM 858 CB SER A 57 13.651 8.115 24.969 1.00 24.34 C ATOM 859 OG SER A 57 14.014 8.951 23.884 1.00 30.13 O ATOM 0 H SER A 57 11.785 6.008 25.089 1.00 24.31 H new ATOM 0 HA SER A 57 11.835 8.868 25.835 1.00 13.50 H new ATOM 0 HB2 SER A 57 14.120 8.478 25.884 1.00 24.34 H new ATOM 0 HB3 SER A 57 14.027 7.107 24.796 1.00 24.34 H new ATOM 0 HG SER A 57 13.603 8.615 23.060 1.00 30.13 H new ATOM 865 N PHE A 58 10.286 8.959 23.851 1.00 44.41 N ATOM 866 CA PHE A 58 9.526 9.245 22.640 1.00 12.40 C ATOM 867 C PHE A 58 10.327 10.132 21.691 1.00 11.02 C ATOM 868 O PHE A 58 11.175 10.913 22.122 1.00 65.12 O ATOM 869 CB PHE A 58 8.201 9.924 22.993 1.00 35.31 C ATOM 870 CG PHE A 58 7.467 9.256 24.121 1.00 3.23 C ATOM 871 CD1 PHE A 58 7.468 7.876 24.245 1.00 1.22 C ATOM 872 CD2 PHE A 58 6.777 10.009 25.058 1.00 73.34 C ATOM 873 CE1 PHE A 58 6.795 7.259 25.282 1.00 33.34 C ATOM 874 CE2 PHE A 58 6.102 9.397 26.097 1.00 30.11 C ATOM 875 CZ PHE A 58 6.110 8.020 26.209 1.00 51.21 C ATOM 0 H PHE A 58 9.854 9.299 24.710 1.00 44.41 H new ATOM 0 HA PHE A 58 9.320 8.299 22.139 1.00 12.40 H new ATOM 0 HB2 PHE A 58 8.394 10.963 23.261 1.00 35.31 H new ATOM 0 HB3 PHE A 58 7.561 9.936 22.110 1.00 35.31 H new ATOM 0 HD1 PHE A 58 8.001 7.276 23.523 1.00 1.22 H new ATOM 0 HD2 PHE A 58 6.767 11.086 24.975 1.00 73.34 H new ATOM 0 HE1 PHE A 58 6.805 6.182 25.368 1.00 33.34 H new ATOM 0 HE2 PHE A 58 5.568 9.995 26.821 1.00 30.11 H new ATOM 0 HZ PHE A 58 5.582 7.540 27.019 1.00 51.21 H new ATOM 885 N SER A 59 10.051 10.005 20.397 1.00 22.41 N ATOM 886 CA SER A 59 10.748 10.790 19.386 1.00 44.51 C ATOM 887 C SER A 59 10.203 12.214 19.333 1.00 51.31 C ATOM 888 O SER A 59 10.693 13.052 18.575 1.00 12.04 O ATOM 889 CB SER A 59 10.613 10.129 18.013 1.00 5.00 C ATOM 890 OG SER A 59 11.334 10.848 17.027 1.00 1.34 O ATOM 0 H SER A 59 9.349 9.365 20.024 1.00 22.41 H new ATOM 0 HA SER A 59 11.803 10.833 19.658 1.00 44.51 H new ATOM 0 HB2 SER A 59 10.981 9.104 18.062 1.00 5.00 H new ATOM 0 HB3 SER A 59 9.561 10.077 17.733 1.00 5.00 H new ATOM 0 HG SER A 59 11.470 11.770 17.329 1.00 1.34 H new ATOM 896 N LYS A 60 9.184 12.481 20.143 1.00 4.34 N ATOM 897 CA LYS A 60 8.571 13.803 20.192 1.00 52.11 C ATOM 898 C LYS A 60 7.862 14.122 18.880 1.00 54.23 C ATOM 899 O LYS A 60 8.464 14.068 17.808 1.00 33.13 O ATOM 900 CB LYS A 60 9.629 14.869 20.484 1.00 23.02 C ATOM 901 CG LYS A 60 9.317 15.717 21.705 1.00 44.21 C ATOM 902 CD LYS A 60 8.133 16.636 21.458 1.00 53.03 C ATOM 903 CE LYS A 60 7.146 16.597 22.614 1.00 30.25 C ATOM 904 NZ LYS A 60 7.733 17.155 23.864 1.00 42.43 N ATOM 0 H LYS A 60 8.765 11.799 20.775 1.00 4.34 H new ATOM 0 HA LYS A 60 7.833 13.804 20.994 1.00 52.11 H new ATOM 0 HB2 LYS A 60 10.594 14.382 20.627 1.00 23.02 H new ATOM 0 HB3 LYS A 60 9.726 15.520 19.615 1.00 23.02 H new ATOM 0 HG2 LYS A 60 9.104 15.068 22.555 1.00 44.21 H new ATOM 0 HG3 LYS A 60 10.191 16.312 21.969 1.00 44.21 H new ATOM 0 HD2 LYS A 60 8.487 17.657 21.315 1.00 53.03 H new ATOM 0 HD3 LYS A 60 7.629 16.342 20.538 1.00 53.03 H new ATOM 0 HE2 LYS A 60 6.253 17.163 22.348 1.00 30.25 H new ATOM 0 HE3 LYS A 60 6.831 15.568 22.788 1.00 30.25 H new ATOM 0 HZ1 LYS A 60 7.023 17.126 24.624 1.00 42.43 H new ATOM 0 HZ2 LYS A 60 8.561 16.590 24.141 1.00 42.43 H new ATOM 0 HZ3 LYS A 60 8.025 18.140 23.701 1.00 42.43 H new ATOM 918 N GLY A 61 6.578 14.457 18.972 1.00 70.21 N ATOM 919 CA GLY A 61 5.809 14.781 17.785 1.00 52.02 C ATOM 920 C GLY A 61 5.254 16.191 17.821 1.00 51.13 C ATOM 921 O GLY A 61 5.976 17.141 18.120 1.00 43.23 O ATOM 0 H GLY A 61 6.057 14.510 19.847 1.00 70.21 H new ATOM 0 HA2 GLY A 61 6.440 14.665 16.904 1.00 52.02 H new ATOM 0 HA3 GLY A 61 4.987 14.073 17.684 1.00 52.02 H new ATOM 925 N GLU A 62 3.968 16.327 17.514 1.00 54.35 N ATOM 926 CA GLU A 62 3.318 17.633 17.510 1.00 70.22 C ATOM 927 C GLU A 62 2.233 17.703 18.580 1.00 14.41 C ATOM 928 O GLU A 62 1.401 16.804 18.695 1.00 73.04 O ATOM 929 CB GLU A 62 2.713 17.922 16.134 1.00 10.25 C ATOM 930 CG GLU A 62 3.750 18.107 15.040 1.00 44.11 C ATOM 931 CD GLU A 62 3.129 18.440 13.697 1.00 20.33 C ATOM 932 OE1 GLU A 62 1.887 18.555 13.631 1.00 2.44 O ATOM 933 OE2 GLU A 62 3.884 18.584 12.713 1.00 74.00 O ATOM 0 H GLU A 62 3.356 15.550 17.265 1.00 54.35 H new ATOM 0 HA GLU A 62 4.073 18.387 17.732 1.00 70.22 H new ATOM 0 HB2 GLU A 62 2.049 17.102 15.859 1.00 10.25 H new ATOM 0 HB3 GLU A 62 2.100 18.821 16.198 1.00 10.25 H new ATOM 0 HG2 GLU A 62 4.436 18.904 15.326 1.00 44.11 H new ATOM 0 HG3 GLU A 62 4.341 17.196 14.947 1.00 44.11 H new ATOM 940 N GLU A 63 2.249 18.779 19.361 1.00 21.25 N ATOM 941 CA GLU A 63 1.267 18.966 20.423 1.00 25.13 C ATOM 942 C GLU A 63 -0.002 19.617 19.882 1.00 72.30 C ATOM 943 O GLU A 63 0.044 20.692 19.283 1.00 33.43 O ATOM 944 CB GLU A 63 1.855 19.824 21.546 1.00 52.02 C ATOM 945 CG GLU A 63 1.489 19.338 22.938 1.00 11.33 C ATOM 946 CD GLU A 63 1.393 20.469 23.944 1.00 14.00 C ATOM 947 OE1 GLU A 63 0.629 21.424 23.691 1.00 75.04 O ATOM 948 OE2 GLU A 63 2.081 20.399 24.984 1.00 53.44 O ATOM 0 H GLU A 63 2.930 19.534 19.278 1.00 21.25 H new ATOM 0 HA GLU A 63 1.009 17.985 20.822 1.00 25.13 H new ATOM 0 HB2 GLU A 63 2.941 19.840 21.449 1.00 52.02 H new ATOM 0 HB3 GLU A 63 1.510 20.851 21.426 1.00 52.02 H new ATOM 0 HG2 GLU A 63 0.535 18.812 22.896 1.00 11.33 H new ATOM 0 HG3 GLU A 63 2.235 18.619 23.276 1.00 11.33 H new ATOM 955 N LYS A 64 -1.136 18.957 20.096 1.00 4.13 N ATOM 956 CA LYS A 64 -2.419 19.469 19.632 1.00 52.45 C ATOM 957 C LYS A 64 -3.470 19.386 20.734 1.00 4.44 C ATOM 958 O LYS A 64 -3.362 18.566 21.645 1.00 11.12 O ATOM 959 CB LYS A 64 -2.890 18.686 18.404 1.00 10.01 C ATOM 960 CG LYS A 64 -3.161 17.219 18.686 1.00 35.55 C ATOM 961 CD LYS A 64 -4.644 16.897 18.592 1.00 3.43 C ATOM 962 CE LYS A 64 -4.879 15.413 18.356 1.00 5.32 C ATOM 963 NZ LYS A 64 -4.635 15.032 16.937 1.00 14.14 N ATOM 0 H LYS A 64 -1.192 18.065 20.588 1.00 4.13 H new ATOM 0 HA LYS A 64 -2.286 20.516 19.360 1.00 52.45 H new ATOM 0 HB2 LYS A 64 -3.799 19.147 18.016 1.00 10.01 H new ATOM 0 HB3 LYS A 64 -2.134 18.764 17.622 1.00 10.01 H new ATOM 0 HG2 LYS A 64 -2.608 16.603 17.976 1.00 35.55 H new ATOM 0 HG3 LYS A 64 -2.795 16.965 19.681 1.00 35.55 H new ATOM 0 HD2 LYS A 64 -5.143 17.204 19.511 1.00 3.43 H new ATOM 0 HD3 LYS A 64 -5.091 17.471 17.780 1.00 3.43 H new ATOM 0 HE2 LYS A 64 -4.223 14.834 19.006 1.00 5.32 H new ATOM 0 HE3 LYS A 64 -5.903 15.159 18.629 1.00 5.32 H new ATOM 0 HZ1 LYS A 64 -4.454 14.010 16.878 1.00 14.14 H new ATOM 0 HZ2 LYS A 64 -5.471 15.269 16.365 1.00 14.14 H new ATOM 0 HZ3 LYS A 64 -3.810 15.551 16.575 1.00 14.14 H new ATOM 977 N GLU A 65 -4.485 20.240 20.644 1.00 3.02 N ATOM 978 CA GLU A 65 -5.554 20.261 21.635 1.00 54.30 C ATOM 979 C GLU A 65 -6.870 19.785 21.026 1.00 50.44 C ATOM 980 O GLU A 65 -7.254 20.215 19.938 1.00 63.15 O ATOM 981 CB GLU A 65 -5.724 21.671 22.205 1.00 51.34 C ATOM 982 CG GLU A 65 -4.413 22.420 22.378 1.00 70.50 C ATOM 983 CD GLU A 65 -3.997 23.166 21.125 1.00 32.22 C ATOM 984 OE1 GLU A 65 -4.876 23.765 20.471 1.00 33.33 O ATOM 985 OE2 GLU A 65 -2.792 23.151 20.799 1.00 24.31 O ATOM 0 H GLU A 65 -4.589 20.925 19.896 1.00 3.02 H new ATOM 0 HA GLU A 65 -5.280 19.581 22.442 1.00 54.30 H new ATOM 0 HB2 GLU A 65 -6.376 22.244 21.546 1.00 51.34 H new ATOM 0 HB3 GLU A 65 -6.225 21.605 23.171 1.00 51.34 H new ATOM 0 HG2 GLU A 65 -4.509 23.127 23.202 1.00 70.50 H new ATOM 0 HG3 GLU A 65 -3.629 21.714 22.653 1.00 70.50 H new ATOM 992 N ASP A 66 -7.556 18.896 21.735 1.00 63.44 N ATOM 993 CA ASP A 66 -8.829 18.361 21.265 1.00 24.20 C ATOM 994 C ASP A 66 -9.705 17.934 22.439 1.00 41.34 C ATOM 995 O ASP A 66 -9.408 18.245 23.592 1.00 51.14 O ATOM 996 CB ASP A 66 -8.593 17.173 20.330 1.00 14.50 C ATOM 997 CG ASP A 66 -9.461 17.234 19.088 1.00 22.11 C ATOM 998 OD1 ASP A 66 -9.034 17.861 18.097 1.00 44.04 O ATOM 999 OD2 ASP A 66 -10.567 16.655 19.108 1.00 33.30 O ATOM 0 H ASP A 66 -7.252 18.530 22.637 1.00 63.44 H new ATOM 0 HA ASP A 66 -9.346 19.148 20.716 1.00 24.20 H new ATOM 0 HB2 ASP A 66 -7.544 17.148 20.036 1.00 14.50 H new ATOM 0 HB3 ASP A 66 -8.796 16.246 20.866 1.00 14.50 H new ATOM 1004 N GLU A 67 -10.786 17.222 22.136 1.00 65.25 N ATOM 1005 CA GLU A 67 -11.706 16.755 23.166 1.00 64.11 C ATOM 1006 C GLU A 67 -11.600 15.243 23.345 1.00 51.10 C ATOM 1007 O GLU A 67 -12.186 14.673 24.266 1.00 54.34 O ATOM 1008 CB GLU A 67 -13.143 17.138 22.809 1.00 53.11 C ATOM 1009 CG GLU A 67 -13.578 16.657 21.435 1.00 71.01 C ATOM 1010 CD GLU A 67 -14.960 17.152 21.054 1.00 61.13 C ATOM 1011 OE1 GLU A 67 -15.899 16.964 21.856 1.00 43.03 O ATOM 1012 OE2 GLU A 67 -15.103 17.726 19.954 1.00 4.43 O ATOM 0 H GLU A 67 -11.046 16.956 21.186 1.00 65.25 H new ATOM 0 HA GLU A 67 -11.433 17.235 24.106 1.00 64.11 H new ATOM 0 HB2 GLU A 67 -13.817 16.725 23.559 1.00 53.11 H new ATOM 0 HB3 GLU A 67 -13.243 18.223 22.853 1.00 53.11 H new ATOM 0 HG2 GLU A 67 -12.857 16.995 20.691 1.00 71.01 H new ATOM 0 HG3 GLU A 67 -13.568 15.567 21.416 1.00 71.01 H new ATOM 1019 N PHE A 68 -10.849 14.599 22.458 1.00 51.13 N ATOM 1020 CA PHE A 68 -10.667 13.153 22.516 1.00 53.41 C ATOM 1021 C PHE A 68 -9.555 12.784 23.493 1.00 63.04 C ATOM 1022 O PHE A 68 -9.264 11.606 23.703 1.00 0.34 O ATOM 1023 CB PHE A 68 -10.344 12.602 21.125 1.00 14.44 C ATOM 1024 CG PHE A 68 -11.547 12.485 20.233 1.00 1.10 C ATOM 1025 CD1 PHE A 68 -12.326 13.595 19.949 1.00 11.10 C ATOM 1026 CD2 PHE A 68 -11.898 11.265 19.678 1.00 43.23 C ATOM 1027 CE1 PHE A 68 -13.433 13.490 19.129 1.00 74.32 C ATOM 1028 CE2 PHE A 68 -13.004 11.154 18.856 1.00 22.34 C ATOM 1029 CZ PHE A 68 -13.772 12.268 18.581 1.00 70.12 C ATOM 0 H PHE A 68 -10.356 15.055 21.690 1.00 51.13 H new ATOM 0 HA PHE A 68 -11.598 12.708 22.868 1.00 53.41 H new ATOM 0 HB2 PHE A 68 -9.609 13.250 20.648 1.00 14.44 H new ATOM 0 HB3 PHE A 68 -9.882 11.620 21.230 1.00 14.44 H new ATOM 0 HD1 PHE A 68 -12.065 14.553 20.373 1.00 11.10 H new ATOM 0 HD2 PHE A 68 -11.301 10.391 19.890 1.00 43.23 H new ATOM 0 HE1 PHE A 68 -14.033 14.363 18.917 1.00 74.32 H new ATOM 0 HE2 PHE A 68 -13.267 10.197 18.430 1.00 22.34 H new ATOM 0 HZ PHE A 68 -14.636 12.184 17.939 1.00 70.12 H new ATOM 1039 N PHE A 69 -8.935 13.799 24.086 1.00 73.01 N ATOM 1040 CA PHE A 69 -7.853 13.582 25.039 1.00 15.44 C ATOM 1041 C PHE A 69 -7.407 14.901 25.664 1.00 30.13 C ATOM 1042 O PHE A 69 -7.023 14.948 26.832 1.00 44.50 O ATOM 1043 CB PHE A 69 -6.667 12.904 24.352 1.00 72.54 C ATOM 1044 CG PHE A 69 -5.927 13.805 23.405 1.00 31.21 C ATOM 1045 CD1 PHE A 69 -6.576 14.379 22.324 1.00 72.00 C ATOM 1046 CD2 PHE A 69 -4.582 14.078 23.597 1.00 54.42 C ATOM 1047 CE1 PHE A 69 -5.897 15.208 21.451 1.00 32.02 C ATOM 1048 CE2 PHE A 69 -3.898 14.907 22.727 1.00 12.14 C ATOM 1049 CZ PHE A 69 -4.557 15.473 21.654 1.00 41.42 C ATOM 0 H PHE A 69 -9.163 14.780 23.923 1.00 73.01 H new ATOM 0 HA PHE A 69 -8.225 12.932 25.831 1.00 15.44 H new ATOM 0 HB2 PHE A 69 -5.975 12.543 25.113 1.00 72.54 H new ATOM 0 HB3 PHE A 69 -7.024 12.031 23.806 1.00 72.54 H new ATOM 0 HD1 PHE A 69 -7.624 14.176 22.162 1.00 72.00 H new ATOM 0 HD2 PHE A 69 -4.062 13.638 24.435 1.00 54.42 H new ATOM 0 HE1 PHE A 69 -6.414 15.648 20.611 1.00 32.02 H new ATOM 0 HE2 PHE A 69 -2.850 15.111 22.887 1.00 12.14 H new ATOM 0 HZ PHE A 69 -4.025 16.122 20.974 1.00 41.42 H new ATOM 1059 N GLY A 70 -7.461 15.971 24.876 1.00 23.33 N ATOM 1060 CA GLY A 70 -7.059 17.275 25.368 1.00 3.44 C ATOM 1061 C GLY A 70 -5.840 17.817 24.648 1.00 60.44 C ATOM 1062 O GLY A 70 -5.688 17.624 23.441 1.00 25.23 O ATOM 0 H GLY A 70 -7.776 15.957 23.906 1.00 23.33 H new ATOM 0 HA2 GLY A 70 -7.887 17.975 25.251 1.00 3.44 H new ATOM 0 HA3 GLY A 70 -6.847 17.207 26.435 1.00 3.44 H new ATOM 1066 N ARG A 71 -4.971 18.497 25.387 1.00 3.24 N ATOM 1067 CA ARG A 71 -3.761 19.071 24.811 1.00 63.44 C ATOM 1068 C ARG A 71 -2.543 18.210 25.135 1.00 11.13 C ATOM 1069 O ARG A 71 -2.024 18.249 26.251 1.00 74.44 O ATOM 1070 CB ARG A 71 -3.547 20.493 25.331 1.00 44.11 C ATOM 1071 CG ARG A 71 -4.253 20.773 26.647 1.00 14.01 C ATOM 1072 CD ARG A 71 -3.626 19.994 27.793 1.00 75.03 C ATOM 1073 NE ARG A 71 -4.253 20.307 29.075 1.00 63.45 N ATOM 1074 CZ ARG A 71 -4.090 19.573 30.170 1.00 12.21 C ATOM 1075 NH1 ARG A 71 -3.325 18.491 30.140 1.00 72.32 N ATOM 1076 NH2 ARG A 71 -4.693 19.923 31.299 1.00 33.53 N ATOM 0 H ARG A 71 -5.082 18.664 26.387 1.00 3.24 H new ATOM 0 HA ARG A 71 -3.884 19.103 23.728 1.00 63.44 H new ATOM 0 HB2 ARG A 71 -2.479 20.668 25.457 1.00 44.11 H new ATOM 0 HB3 ARG A 71 -3.899 21.202 24.582 1.00 44.11 H new ATOM 0 HG2 ARG A 71 -4.210 21.840 26.864 1.00 14.01 H new ATOM 0 HG3 ARG A 71 -5.307 20.508 26.559 1.00 14.01 H new ATOM 0 HD2 ARG A 71 -3.716 18.926 27.597 1.00 75.03 H new ATOM 0 HD3 ARG A 71 -2.561 20.220 27.845 1.00 75.03 H new ATOM 0 HE ARG A 71 -4.848 21.134 29.132 1.00 63.45 H new ATOM 0 HH11 ARG A 71 -2.859 18.220 29.274 1.00 72.32 H new ATOM 0 HH12 ARG A 71 -3.202 17.930 30.983 1.00 72.32 H new ATOM 0 HH21 ARG A 71 -5.282 20.756 31.326 1.00 33.53 H new ATOM 0 HH22 ARG A 71 -4.568 19.359 32.140 1.00 33.53 H new ATOM 1090 N GLN A 72 -2.094 17.435 24.153 1.00 3.24 N ATOM 1091 CA GLN A 72 -0.938 16.565 24.336 1.00 73.31 C ATOM 1092 C GLN A 72 -0.225 16.321 23.010 1.00 53.32 C ATOM 1093 O GLN A 72 -0.680 16.769 21.956 1.00 30.53 O ATOM 1094 CB GLN A 72 -1.370 15.231 24.949 1.00 45.21 C ATOM 1095 CG GLN A 72 -0.989 15.084 26.413 1.00 30.53 C ATOM 1096 CD GLN A 72 0.510 15.002 26.621 1.00 23.53 C ATOM 1097 OE1 GLN A 72 1.192 14.191 25.993 1.00 4.14 O ATOM 1098 NE2 GLN A 72 1.032 15.843 27.506 1.00 24.22 N ATOM 0 H GLN A 72 -2.512 17.392 23.224 1.00 3.24 H new ATOM 0 HA GLN A 72 -0.244 17.062 25.015 1.00 73.31 H new ATOM 0 HB2 GLN A 72 -2.451 15.128 24.851 1.00 45.21 H new ATOM 0 HB3 GLN A 72 -0.920 14.417 24.381 1.00 45.21 H new ATOM 0 HG2 GLN A 72 -1.384 15.931 26.974 1.00 30.53 H new ATOM 0 HG3 GLN A 72 -1.458 14.187 26.818 1.00 30.53 H new ATOM 0 HE21 GLN A 72 0.429 16.498 28.004 1.00 24.22 H new ATOM 0 HE22 GLN A 72 2.036 15.834 27.688 1.00 24.22 H new ATOM 1107 N THR A 73 0.896 15.609 23.068 1.00 0.43 N ATOM 1108 CA THR A 73 1.673 15.308 21.873 1.00 61.22 C ATOM 1109 C THR A 73 1.033 14.181 21.071 1.00 72.33 C ATOM 1110 O THR A 73 0.476 13.240 21.638 1.00 42.25 O ATOM 1111 CB THR A 73 3.119 14.913 22.227 1.00 21.14 C ATOM 1112 OG1 THR A 73 3.315 14.991 23.644 1.00 41.53 O ATOM 1113 CG2 THR A 73 4.116 15.819 21.521 1.00 2.33 C ATOM 0 H THR A 73 1.286 15.230 23.931 1.00 0.43 H new ATOM 0 HA THR A 73 1.690 16.216 21.270 1.00 61.22 H new ATOM 0 HB THR A 73 3.285 13.889 21.894 1.00 21.14 H new ATOM 0 HG1 THR A 73 4.273 15.055 23.839 1.00 41.53 H new ATOM 0 HG21 THR A 73 5.130 15.521 21.787 1.00 2.33 H new ATOM 0 HG22 THR A 73 3.984 15.735 20.442 1.00 2.33 H new ATOM 0 HG23 THR A 73 3.950 16.852 21.828 1.00 2.33 H new ATOM 1121 N VAL A 74 1.116 14.281 19.748 1.00 74.13 N ATOM 1122 CA VAL A 74 0.545 13.268 18.867 1.00 4.32 C ATOM 1123 C VAL A 74 1.422 13.051 17.639 1.00 3.21 C ATOM 1124 O VAL A 74 2.263 13.888 17.308 1.00 21.50 O ATOM 1125 CB VAL A 74 -0.873 13.657 18.409 1.00 30.14 C ATOM 1126 CG1 VAL A 74 -0.811 14.711 17.314 1.00 21.15 C ATOM 1127 CG2 VAL A 74 -1.635 12.428 17.936 1.00 42.33 C ATOM 0 H VAL A 74 1.573 15.053 19.263 1.00 74.13 H new ATOM 0 HA VAL A 74 0.492 12.343 19.441 1.00 4.32 H new ATOM 0 HB VAL A 74 -1.407 14.083 19.259 1.00 30.14 H new ATOM 0 HG11 VAL A 74 -1.822 14.973 17.003 1.00 21.15 H new ATOM 0 HG12 VAL A 74 -0.306 15.600 17.693 1.00 21.15 H new ATOM 0 HG13 VAL A 74 -0.260 14.317 16.460 1.00 21.15 H new ATOM 0 HG21 VAL A 74 -2.635 12.721 17.616 1.00 42.33 H new ATOM 0 HG22 VAL A 74 -1.106 11.971 17.100 1.00 42.33 H new ATOM 0 HG23 VAL A 74 -1.711 11.710 18.753 1.00 42.33 H new ATOM 1137 N TYR A 75 1.220 11.924 16.967 1.00 62.42 N ATOM 1138 CA TYR A 75 1.994 11.595 15.776 1.00 70.25 C ATOM 1139 C TYR A 75 1.088 11.470 14.555 1.00 73.14 C ATOM 1140 O TYR A 75 0.025 10.851 14.616 1.00 12.23 O ATOM 1141 CB TYR A 75 2.766 10.291 15.987 1.00 41.41 C ATOM 1142 CG TYR A 75 3.866 10.400 17.018 1.00 22.25 C ATOM 1143 CD1 TYR A 75 4.816 11.411 16.946 1.00 2.04 C ATOM 1144 CD2 TYR A 75 3.955 9.491 18.066 1.00 50.20 C ATOM 1145 CE1 TYR A 75 5.823 11.513 17.886 1.00 4.23 C ATOM 1146 CE2 TYR A 75 4.958 9.587 19.011 1.00 31.53 C ATOM 1147 CZ TYR A 75 5.890 10.599 18.917 1.00 71.12 C ATOM 1148 OH TYR A 75 6.891 10.698 19.856 1.00 51.11 O ATOM 0 H TYR A 75 0.527 11.222 17.226 1.00 62.42 H new ATOM 0 HA TYR A 75 2.702 12.404 15.600 1.00 70.25 H new ATOM 0 HB2 TYR A 75 2.069 9.511 16.293 1.00 41.41 H new ATOM 0 HB3 TYR A 75 3.199 9.977 15.037 1.00 41.41 H new ATOM 0 HD1 TYR A 75 4.766 12.130 16.141 1.00 2.04 H new ATOM 0 HD2 TYR A 75 3.228 8.696 18.143 1.00 50.20 H new ATOM 0 HE1 TYR A 75 6.554 12.304 17.814 1.00 4.23 H new ATOM 0 HE2 TYR A 75 5.012 8.873 19.819 1.00 31.53 H new ATOM 0 HH TYR A 75 6.715 11.463 20.443 1.00 51.11 H new ATOM 1158 N HIS A 76 1.517 12.062 13.444 1.00 34.04 N ATOM 1159 CA HIS A 76 0.746 12.017 12.207 1.00 34.21 C ATOM 1160 C HIS A 76 1.266 10.921 11.282 1.00 21.43 C ATOM 1161 O HIS A 76 0.705 10.677 10.214 1.00 55.03 O ATOM 1162 CB HIS A 76 0.802 13.369 11.496 1.00 4.33 C ATOM 1163 CG HIS A 76 2.192 13.906 11.340 1.00 11.14 C ATOM 1164 ND1 HIS A 76 2.511 15.235 11.526 1.00 33.22 N ATOM 1165 CD2 HIS A 76 3.350 13.285 11.016 1.00 71.20 C ATOM 1166 CE1 HIS A 76 3.804 15.408 11.321 1.00 22.21 C ATOM 1167 NE2 HIS A 76 4.337 14.240 11.010 1.00 33.35 N ATOM 0 H HIS A 76 2.394 12.578 13.376 1.00 34.04 H new ATOM 0 HA HIS A 76 -0.290 11.792 12.462 1.00 34.21 H new ATOM 0 HB2 HIS A 76 0.346 13.271 10.511 1.00 4.33 H new ATOM 0 HB3 HIS A 76 0.204 14.089 12.054 1.00 4.33 H new ATOM 0 HD2 HIS A 76 3.475 12.234 10.802 1.00 71.20 H new ATOM 0 HE1 HIS A 76 4.335 16.345 11.395 1.00 22.21 H new ATOM 0 HE2 HIS A 76 5.321 14.074 10.800 1.00 33.35 H new ATOM 1175 N HIS A 77 2.343 10.263 11.700 1.00 70.51 N ATOM 1176 CA HIS A 77 2.939 9.192 10.909 1.00 44.12 C ATOM 1177 C HIS A 77 4.157 8.607 11.617 1.00 22.43 C ATOM 1178 O HIS A 77 4.205 7.410 11.902 1.00 42.44 O ATOM 1179 CB HIS A 77 3.339 9.712 9.528 1.00 45.13 C ATOM 1180 CG HIS A 77 4.192 8.756 8.752 1.00 52.15 C ATOM 1181 ND1 HIS A 77 3.700 7.964 7.735 1.00 24.14 N ATOM 1182 CD2 HIS A 77 5.511 8.468 8.846 1.00 1.43 C ATOM 1183 CE1 HIS A 77 4.680 7.229 7.240 1.00 41.10 C ATOM 1184 NE2 HIS A 77 5.790 7.517 7.896 1.00 34.34 N ATOM 0 H HIS A 77 2.820 10.453 12.581 1.00 70.51 H new ATOM 0 HA HIS A 77 2.196 8.404 10.791 1.00 44.12 H new ATOM 0 HB2 HIS A 77 2.437 9.929 8.955 1.00 45.13 H new ATOM 0 HB3 HIS A 77 3.876 10.653 9.645 1.00 45.13 H new ATOM 0 HD1 HIS A 77 2.731 7.948 7.415 1.00 24.14 H new ATOM 0 HD2 HIS A 77 6.214 8.905 9.540 1.00 1.43 H new ATOM 0 HE1 HIS A 77 4.589 6.514 6.436 1.00 41.10 H new ATOM 1192 N GLU A 78 5.139 9.458 11.898 1.00 14.23 N ATOM 1193 CA GLU A 78 6.357 9.024 12.572 1.00 73.50 C ATOM 1194 C GLU A 78 6.125 8.877 14.073 1.00 23.32 C ATOM 1195 O GLU A 78 5.624 9.791 14.727 1.00 73.31 O ATOM 1196 CB GLU A 78 7.491 10.018 12.314 1.00 31.34 C ATOM 1197 CG GLU A 78 7.148 11.446 12.704 1.00 65.03 C ATOM 1198 CD GLU A 78 7.567 12.454 11.651 1.00 75.13 C ATOM 1199 OE1 GLU A 78 8.475 12.138 10.854 1.00 11.53 O ATOM 1200 OE2 GLU A 78 6.984 13.558 11.623 1.00 3.55 O ATOM 0 H GLU A 78 5.115 10.452 11.669 1.00 14.23 H new ATOM 0 HA GLU A 78 6.638 8.051 12.169 1.00 73.50 H new ATOM 0 HB2 GLU A 78 8.374 9.701 12.868 1.00 31.34 H new ATOM 0 HB3 GLU A 78 7.752 9.992 11.256 1.00 31.34 H new ATOM 0 HG2 GLU A 78 6.074 11.525 12.871 1.00 65.03 H new ATOM 0 HG3 GLU A 78 7.636 11.688 13.648 1.00 65.03 H new ATOM 1207 N ALA A 79 6.494 7.719 14.612 1.00 4.53 N ATOM 1208 CA ALA A 79 6.329 7.453 16.036 1.00 71.43 C ATOM 1209 C ALA A 79 7.336 6.416 16.521 1.00 65.23 C ATOM 1210 O ALA A 79 7.082 5.213 16.457 1.00 13.54 O ATOM 1211 CB ALA A 79 4.909 6.987 16.324 1.00 63.12 C ATOM 0 H ALA A 79 6.909 6.951 14.084 1.00 4.53 H new ATOM 0 HA ALA A 79 6.513 8.381 16.578 1.00 71.43 H new ATOM 0 HB1 ALA A 79 4.799 6.792 17.391 1.00 63.12 H new ATOM 0 HB2 ALA A 79 4.204 7.761 16.022 1.00 63.12 H new ATOM 0 HB3 ALA A 79 4.706 6.073 15.765 1.00 63.12 H new ATOM 1217 N GLN A 80 8.480 6.890 17.004 1.00 65.25 N ATOM 1218 CA GLN A 80 9.527 6.002 17.498 1.00 54.35 C ATOM 1219 C GLN A 80 9.869 6.320 18.949 1.00 31.45 C ATOM 1220 O GLN A 80 9.787 7.470 19.380 1.00 25.02 O ATOM 1221 CB GLN A 80 10.779 6.122 16.628 1.00 43.31 C ATOM 1222 CG GLN A 80 12.011 5.478 17.243 1.00 70.20 C ATOM 1223 CD GLN A 80 13.243 5.626 16.373 1.00 64.13 C ATOM 1224 OE1 GLN A 80 13.143 5.902 15.177 1.00 65.12 O ATOM 1225 NE2 GLN A 80 14.415 5.443 16.970 1.00 44.05 N ATOM 0 H GLN A 80 8.706 7.883 17.064 1.00 65.25 H new ATOM 0 HA GLN A 80 9.155 4.979 17.447 1.00 54.35 H new ATOM 0 HB2 GLN A 80 10.584 5.662 15.659 1.00 43.31 H new ATOM 0 HB3 GLN A 80 10.984 7.177 16.444 1.00 43.31 H new ATOM 0 HG2 GLN A 80 12.203 5.927 18.217 1.00 70.20 H new ATOM 0 HG3 GLN A 80 11.816 4.419 17.413 1.00 70.20 H new ATOM 0 HE21 GLN A 80 14.451 5.216 17.964 1.00 44.05 H new ATOM 0 HE22 GLN A 80 15.279 5.530 16.435 1.00 44.05 H new ATOM 1234 N VAL A 81 10.252 5.292 19.700 1.00 32.43 N ATOM 1235 CA VAL A 81 10.607 5.461 21.104 1.00 21.22 C ATOM 1236 C VAL A 81 11.882 4.697 21.444 1.00 1.43 C ATOM 1237 O VAL A 81 12.084 3.572 20.989 1.00 42.23 O ATOM 1238 CB VAL A 81 9.473 4.984 22.031 1.00 25.05 C ATOM 1239 CG1 VAL A 81 9.764 5.371 23.473 1.00 25.15 C ATOM 1240 CG2 VAL A 81 8.138 5.554 21.577 1.00 44.22 C ATOM 0 H VAL A 81 10.324 4.333 19.359 1.00 32.43 H new ATOM 0 HA VAL A 81 10.772 6.527 21.263 1.00 21.22 H new ATOM 0 HB VAL A 81 9.415 3.897 21.976 1.00 25.05 H new ATOM 0 HG11 VAL A 81 8.952 5.026 24.113 1.00 25.15 H new ATOM 0 HG12 VAL A 81 10.699 4.910 23.792 1.00 25.15 H new ATOM 0 HG13 VAL A 81 9.850 6.455 23.549 1.00 25.15 H new ATOM 0 HG21 VAL A 81 7.349 5.207 22.243 1.00 44.22 H new ATOM 0 HG22 VAL A 81 8.180 6.643 21.601 1.00 44.22 H new ATOM 0 HG23 VAL A 81 7.927 5.222 20.561 1.00 44.22 H new ATOM 1250 N ALA A 82 12.740 5.317 22.249 1.00 54.14 N ATOM 1251 CA ALA A 82 13.994 4.695 22.652 1.00 5.03 C ATOM 1252 C ALA A 82 13.893 4.117 24.060 1.00 72.13 C ATOM 1253 O ALA A 82 13.374 4.762 24.971 1.00 55.13 O ATOM 1254 CB ALA A 82 15.132 5.702 22.574 1.00 0.54 C ATOM 0 H ALA A 82 12.588 6.249 22.634 1.00 54.14 H new ATOM 0 HA ALA A 82 14.201 3.875 21.964 1.00 5.03 H new ATOM 0 HB1 ALA A 82 16.063 5.223 22.878 1.00 0.54 H new ATOM 0 HB2 ALA A 82 15.228 6.064 21.550 1.00 0.54 H new ATOM 0 HB3 ALA A 82 14.922 6.541 23.238 1.00 0.54 H new ATOM 1260 N PHE A 83 14.391 2.897 24.231 1.00 61.24 N ATOM 1261 CA PHE A 83 14.355 2.231 25.527 1.00 33.14 C ATOM 1262 C PHE A 83 15.766 1.962 26.040 1.00 23.14 C ATOM 1263 O PHE A 83 16.304 0.863 25.905 1.00 65.11 O ATOM 1264 CB PHE A 83 13.577 0.917 25.428 1.00 30.11 C ATOM 1265 CG PHE A 83 12.250 1.057 24.739 1.00 72.52 C ATOM 1266 CD1 PHE A 83 11.410 2.119 25.032 1.00 2.02 C ATOM 1267 CD2 PHE A 83 11.842 0.126 23.797 1.00 21.40 C ATOM 1268 CE1 PHE A 83 10.188 2.249 24.400 1.00 42.21 C ATOM 1269 CE2 PHE A 83 10.621 0.251 23.161 1.00 22.11 C ATOM 1270 CZ PHE A 83 9.794 1.315 23.462 1.00 32.23 C ATOM 0 H PHE A 83 14.824 2.349 23.488 1.00 61.24 H new ATOM 0 HA PHE A 83 13.851 2.891 26.232 1.00 33.14 H new ATOM 0 HB2 PHE A 83 14.181 0.186 24.891 1.00 30.11 H new ATOM 0 HB3 PHE A 83 13.417 0.522 26.431 1.00 30.11 H new ATOM 0 HD1 PHE A 83 11.714 2.854 25.763 1.00 2.02 H new ATOM 0 HD2 PHE A 83 12.486 -0.707 23.557 1.00 21.40 H new ATOM 0 HE1 PHE A 83 9.542 3.080 24.639 1.00 42.21 H new ATOM 0 HE2 PHE A 83 10.314 -0.482 22.430 1.00 22.11 H new ATOM 0 HZ PHE A 83 8.841 1.417 22.965 1.00 32.23 H new ATOM 1280 N PRO A 84 16.382 2.990 26.644 1.00 72.41 N ATOM 1281 CA PRO A 84 17.739 2.890 27.190 1.00 73.34 C ATOM 1282 C PRO A 84 17.802 1.998 28.425 1.00 4.53 C ATOM 1283 O PRO A 84 16.976 2.115 29.330 1.00 13.52 O ATOM 1284 CB PRO A 84 18.081 4.336 27.555 1.00 3.12 C ATOM 1285 CG PRO A 84 16.763 4.991 27.786 1.00 23.23 C ATOM 1286 CD PRO A 84 15.800 4.328 26.841 1.00 42.05 C ATOM 0 HA PRO A 84 18.433 2.440 26.480 1.00 73.34 H new ATOM 0 HB2 PRO A 84 18.707 4.382 28.446 1.00 3.12 H new ATOM 0 HB3 PRO A 84 18.632 4.827 26.753 1.00 3.12 H new ATOM 0 HG2 PRO A 84 16.442 4.868 28.820 1.00 23.23 H new ATOM 0 HG3 PRO A 84 16.821 6.063 27.596 1.00 23.23 H new ATOM 0 HD2 PRO A 84 14.797 4.272 27.264 1.00 42.05 H new ATOM 0 HD3 PRO A 84 15.720 4.874 25.901 1.00 42.05 H new ATOM 1294 N TYR A 85 18.788 1.109 28.457 1.00 23.10 N ATOM 1295 CA TYR A 85 18.958 0.196 29.581 1.00 4.34 C ATOM 1296 C TYR A 85 19.489 0.934 30.807 1.00 51.43 C ATOM 1297 O TYR A 85 20.397 1.758 30.704 1.00 65.11 O ATOM 1298 CB TYR A 85 19.911 -0.939 29.204 1.00 22.30 C ATOM 1299 CG TYR A 85 19.421 -1.782 28.048 1.00 44.30 C ATOM 1300 CD1 TYR A 85 18.076 -2.100 27.916 1.00 75.13 C ATOM 1301 CD2 TYR A 85 20.305 -2.259 27.087 1.00 12.52 C ATOM 1302 CE1 TYR A 85 17.624 -2.870 26.862 1.00 71.25 C ATOM 1303 CE2 TYR A 85 19.862 -3.028 26.029 1.00 71.02 C ATOM 1304 CZ TYR A 85 18.521 -3.332 25.921 1.00 52.44 C ATOM 1305 OH TYR A 85 18.075 -4.098 24.868 1.00 13.32 O ATOM 0 H TYR A 85 19.482 1.001 27.717 1.00 23.10 H new ATOM 0 HA TYR A 85 17.982 -0.224 29.826 1.00 4.34 H new ATOM 0 HB2 TYR A 85 20.883 -0.517 28.948 1.00 22.30 H new ATOM 0 HB3 TYR A 85 20.061 -1.580 30.073 1.00 22.30 H new ATOM 0 HD1 TYR A 85 17.371 -1.739 28.650 1.00 75.13 H new ATOM 0 HD2 TYR A 85 21.356 -2.024 27.169 1.00 12.52 H new ATOM 0 HE1 TYR A 85 16.574 -3.109 26.775 1.00 71.25 H new ATOM 0 HE2 TYR A 85 20.562 -3.389 25.290 1.00 71.02 H new ATOM 0 HH TYR A 85 17.790 -4.975 25.199 1.00 13.32 H new ATOM 1315 N ALA A 86 18.914 0.632 31.966 1.00 24.23 N ATOM 1316 CA ALA A 86 19.330 1.263 33.212 1.00 11.45 C ATOM 1317 C ALA A 86 20.287 0.366 33.990 1.00 41.50 C ATOM 1318 O ALA A 86 20.782 0.743 35.053 1.00 63.43 O ATOM 1319 CB ALA A 86 18.115 1.604 34.062 1.00 33.24 C ATOM 0 H ALA A 86 18.159 -0.046 32.068 1.00 24.23 H new ATOM 0 HA ALA A 86 19.858 2.184 32.965 1.00 11.45 H new ATOM 0 HB1 ALA A 86 18.440 2.075 34.990 1.00 33.24 H new ATOM 0 HB2 ALA A 86 17.469 2.290 33.514 1.00 33.24 H new ATOM 0 HB3 ALA A 86 17.564 0.692 34.292 1.00 33.24 H new ATOM 1325 N LYS A 87 20.544 -0.822 33.454 1.00 33.13 N ATOM 1326 CA LYS A 87 21.442 -1.774 34.097 1.00 2.30 C ATOM 1327 C LYS A 87 22.050 -2.726 33.072 1.00 74.10 C ATOM 1328 O LYS A 87 21.410 -3.077 32.081 1.00 13.21 O ATOM 1329 CB LYS A 87 20.693 -2.570 35.168 1.00 64.20 C ATOM 1330 CG LYS A 87 21.495 -3.729 35.736 1.00 52.22 C ATOM 1331 CD LYS A 87 22.722 -3.242 36.488 1.00 21.21 C ATOM 1332 CE LYS A 87 22.412 -2.989 37.956 1.00 64.44 C ATOM 1333 NZ LYS A 87 23.514 -3.456 38.843 1.00 15.42 N ATOM 0 H LYS A 87 20.143 -1.149 32.575 1.00 33.13 H new ATOM 0 HA LYS A 87 22.249 -1.213 34.569 1.00 2.30 H new ATOM 0 HB2 LYS A 87 20.415 -1.898 35.980 1.00 64.20 H new ATOM 0 HB3 LYS A 87 19.766 -2.955 34.742 1.00 64.20 H new ATOM 0 HG2 LYS A 87 20.865 -4.315 36.406 1.00 52.22 H new ATOM 0 HG3 LYS A 87 21.802 -4.391 34.927 1.00 52.22 H new ATOM 0 HD2 LYS A 87 23.518 -3.982 36.405 1.00 21.21 H new ATOM 0 HD3 LYS A 87 23.091 -2.324 36.029 1.00 21.21 H new ATOM 0 HE2 LYS A 87 22.245 -1.923 38.114 1.00 64.44 H new ATOM 0 HE3 LYS A 87 21.487 -3.500 38.225 1.00 64.44 H new ATOM 0 HZ1 LYS A 87 23.265 -3.266 39.835 1.00 15.42 H new ATOM 0 HZ2 LYS A 87 23.656 -4.478 38.711 1.00 15.42 H new ATOM 0 HZ3 LYS A 87 24.391 -2.950 38.603 1.00 15.42 H new ATOM 1347 N ALA A 88 23.288 -3.142 33.318 1.00 13.12 N ATOM 1348 CA ALA A 88 23.979 -4.056 32.418 1.00 25.44 C ATOM 1349 C ALA A 88 23.496 -5.489 32.614 1.00 24.52 C ATOM 1350 O ALA A 88 23.395 -5.973 33.742 1.00 1.40 O ATOM 1351 CB ALA A 88 25.483 -3.970 32.632 1.00 24.54 C ATOM 0 H ALA A 88 23.833 -2.860 34.133 1.00 13.12 H new ATOM 0 HA ALA A 88 23.751 -3.760 31.394 1.00 25.44 H new ATOM 0 HB1 ALA A 88 25.987 -4.658 31.953 1.00 24.54 H new ATOM 0 HB2 ALA A 88 25.821 -2.953 32.435 1.00 24.54 H new ATOM 0 HB3 ALA A 88 25.720 -4.238 33.662 1.00 24.54 H new ATOM 1357 N VAL A 89 23.199 -6.165 31.509 1.00 55.02 N ATOM 1358 CA VAL A 89 22.726 -7.543 31.559 1.00 23.51 C ATOM 1359 C VAL A 89 22.487 -8.094 30.158 1.00 41.14 C ATOM 1360 O VAL A 89 21.856 -7.446 29.324 1.00 42.41 O ATOM 1361 CB VAL A 89 21.425 -7.661 32.374 1.00 33.51 C ATOM 1362 CG1 VAL A 89 20.383 -6.678 31.863 1.00 42.13 C ATOM 1363 CG2 VAL A 89 20.894 -9.086 32.326 1.00 74.22 C ATOM 0 H VAL A 89 23.278 -5.780 30.568 1.00 55.02 H new ATOM 0 HA VAL A 89 23.506 -8.127 32.047 1.00 23.51 H new ATOM 0 HB VAL A 89 21.644 -7.414 33.413 1.00 33.51 H new ATOM 0 HG11 VAL A 89 19.471 -6.776 32.451 1.00 42.13 H new ATOM 0 HG12 VAL A 89 20.766 -5.662 31.954 1.00 42.13 H new ATOM 0 HG13 VAL A 89 20.165 -6.891 30.816 1.00 42.13 H new ATOM 0 HG21 VAL A 89 19.974 -9.151 32.907 1.00 74.22 H new ATOM 0 HG22 VAL A 89 20.690 -9.364 31.292 1.00 74.22 H new ATOM 0 HG23 VAL A 89 21.637 -9.765 32.745 1.00 74.22 H new ATOM 1373 N GLY A 90 22.996 -9.296 29.905 1.00 72.20 N ATOM 1374 CA GLY A 90 22.827 -9.915 28.603 1.00 12.40 C ATOM 1375 C GLY A 90 21.762 -10.994 28.608 1.00 43.35 C ATOM 1376 O GLY A 90 21.879 -11.992 27.897 1.00 12.41 O ATOM 0 H GLY A 90 23.522 -9.852 30.579 1.00 72.20 H new ATOM 0 HA2 GLY A 90 22.562 -9.151 27.872 1.00 12.40 H new ATOM 0 HA3 GLY A 90 23.776 -10.346 28.283 1.00 12.40 H new ATOM 1380 N GLU A 91 20.723 -10.794 29.412 1.00 73.13 N ATOM 1381 CA GLU A 91 19.635 -11.760 29.507 1.00 31.50 C ATOM 1382 C GLU A 91 18.415 -11.285 28.724 1.00 74.12 C ATOM 1383 O GLU A 91 18.277 -10.107 28.395 1.00 13.55 O ATOM 1384 CB GLU A 91 19.256 -11.993 30.971 1.00 1.32 C ATOM 1385 CG GLU A 91 20.020 -13.133 31.624 1.00 12.41 C ATOM 1386 CD GLU A 91 19.374 -13.605 32.913 1.00 44.45 C ATOM 1387 OE1 GLU A 91 19.134 -12.760 33.800 1.00 20.24 O ATOM 1388 OE2 GLU A 91 19.110 -14.819 33.032 1.00 34.23 O ATOM 0 H GLU A 91 20.612 -9.973 30.006 1.00 73.13 H new ATOM 0 HA GLU A 91 19.979 -12.699 29.074 1.00 31.50 H new ATOM 0 HB2 GLU A 91 19.435 -11.077 31.534 1.00 1.32 H new ATOM 0 HB3 GLU A 91 18.188 -12.201 31.032 1.00 1.32 H new ATOM 0 HG2 GLU A 91 20.084 -13.969 30.927 1.00 12.41 H new ATOM 0 HG3 GLU A 91 21.041 -12.810 31.830 1.00 12.41 H new ATOM 1395 N PRO A 92 17.507 -12.224 28.416 1.00 1.41 N ATOM 1396 CA PRO A 92 16.282 -11.925 27.668 1.00 22.40 C ATOM 1397 C PRO A 92 15.294 -11.097 28.481 1.00 13.41 C ATOM 1398 O PRO A 92 15.276 -11.164 29.710 1.00 2.54 O ATOM 1399 CB PRO A 92 15.702 -13.310 27.371 1.00 32.32 C ATOM 1400 CG PRO A 92 16.241 -14.186 28.449 1.00 13.02 C ATOM 1401 CD PRO A 92 17.607 -13.648 28.775 1.00 34.24 C ATOM 0 HA PRO A 92 16.483 -11.331 26.776 1.00 22.40 H new ATOM 0 HB2 PRO A 92 14.612 -13.293 27.382 1.00 32.32 H new ATOM 0 HB3 PRO A 92 16.005 -13.663 26.385 1.00 32.32 H new ATOM 0 HG2 PRO A 92 15.595 -14.168 29.327 1.00 13.02 H new ATOM 0 HG3 PRO A 92 16.299 -15.223 28.117 1.00 13.02 H new ATOM 0 HD2 PRO A 92 17.850 -13.781 29.829 1.00 34.24 H new ATOM 0 HD3 PRO A 92 18.385 -14.153 28.203 1.00 34.24 H new ATOM 1409 N TYR A 93 14.472 -10.316 27.788 1.00 61.53 N ATOM 1410 CA TYR A 93 13.482 -9.473 28.446 1.00 34.00 C ATOM 1411 C TYR A 93 12.171 -9.461 27.665 1.00 32.34 C ATOM 1412 O TYR A 93 12.110 -9.915 26.523 1.00 64.25 O ATOM 1413 CB TYR A 93 14.013 -8.046 28.594 1.00 61.35 C ATOM 1414 CG TYR A 93 15.057 -7.679 27.563 1.00 20.41 C ATOM 1415 CD1 TYR A 93 16.397 -7.989 27.762 1.00 73.35 C ATOM 1416 CD2 TYR A 93 14.703 -7.024 26.390 1.00 1.43 C ATOM 1417 CE1 TYR A 93 17.354 -7.655 26.823 1.00 33.31 C ATOM 1418 CE2 TYR A 93 15.653 -6.687 25.446 1.00 42.05 C ATOM 1419 CZ TYR A 93 16.977 -7.004 25.667 1.00 61.53 C ATOM 1420 OH TYR A 93 17.927 -6.671 24.729 1.00 63.32 O ATOM 0 H TYR A 93 14.472 -10.250 26.770 1.00 61.53 H new ATOM 0 HA TYR A 93 13.291 -9.887 29.436 1.00 34.00 H new ATOM 0 HB2 TYR A 93 13.180 -7.347 28.520 1.00 61.35 H new ATOM 0 HB3 TYR A 93 14.440 -7.928 29.590 1.00 61.35 H new ATOM 0 HD1 TYR A 93 16.695 -8.500 28.666 1.00 73.35 H new ATOM 0 HD2 TYR A 93 13.667 -6.774 26.213 1.00 1.43 H new ATOM 0 HE1 TYR A 93 18.391 -7.902 26.993 1.00 33.31 H new ATOM 0 HE2 TYR A 93 15.361 -6.178 24.539 1.00 42.05 H new ATOM 0 HH TYR A 93 17.486 -6.442 23.884 1.00 63.32 H new ATOM 1430 N LYS A 94 11.122 -8.938 28.291 1.00 0.21 N ATOM 1431 CA LYS A 94 9.811 -8.863 27.657 1.00 21.42 C ATOM 1432 C LYS A 94 9.492 -7.433 27.234 1.00 70.35 C ATOM 1433 O LYS A 94 9.901 -6.475 27.890 1.00 45.54 O ATOM 1434 CB LYS A 94 8.731 -9.377 28.611 1.00 35.14 C ATOM 1435 CG LYS A 94 7.359 -9.496 27.970 1.00 51.42 C ATOM 1436 CD LYS A 94 6.434 -8.378 28.421 1.00 12.20 C ATOM 1437 CE LYS A 94 5.623 -8.784 29.642 1.00 31.10 C ATOM 1438 NZ LYS A 94 4.501 -9.696 29.285 1.00 52.55 N ATOM 0 H LYS A 94 11.154 -8.560 29.238 1.00 0.21 H new ATOM 0 HA LYS A 94 9.829 -9.491 26.766 1.00 21.42 H new ATOM 0 HB2 LYS A 94 9.030 -10.353 28.993 1.00 35.14 H new ATOM 0 HB3 LYS A 94 8.666 -8.706 29.468 1.00 35.14 H new ATOM 0 HG2 LYS A 94 7.460 -9.471 26.885 1.00 51.42 H new ATOM 0 HG3 LYS A 94 6.919 -10.460 28.227 1.00 51.42 H new ATOM 0 HD2 LYS A 94 7.021 -7.489 28.652 1.00 12.20 H new ATOM 0 HD3 LYS A 94 5.760 -8.112 27.607 1.00 12.20 H new ATOM 0 HE2 LYS A 94 6.275 -9.276 30.364 1.00 31.10 H new ATOM 0 HE3 LYS A 94 5.226 -7.892 30.127 1.00 31.10 H new ATOM 0 HZ1 LYS A 94 3.903 -9.855 30.121 1.00 52.55 H new ATOM 0 HZ2 LYS A 94 3.931 -9.266 28.529 1.00 52.55 H new ATOM 0 HZ3 LYS A 94 4.884 -10.605 28.956 1.00 52.55 H new ATOM 1452 N LEU A 95 8.758 -7.297 26.135 1.00 40.52 N ATOM 1453 CA LEU A 95 8.382 -5.983 25.624 1.00 2.43 C ATOM 1454 C LEU A 95 6.872 -5.885 25.432 1.00 43.40 C ATOM 1455 O LEU A 95 6.218 -6.861 25.065 1.00 12.25 O ATOM 1456 CB LEU A 95 9.096 -5.705 24.300 1.00 74.00 C ATOM 1457 CG LEU A 95 8.949 -4.289 23.743 1.00 42.33 C ATOM 1458 CD1 LEU A 95 10.080 -3.976 22.775 1.00 70.20 C ATOM 1459 CD2 LEU A 95 7.599 -4.121 23.060 1.00 3.15 C ATOM 0 H LEU A 95 8.411 -8.080 25.581 1.00 40.52 H new ATOM 0 HA LEU A 95 8.685 -5.235 26.357 1.00 2.43 H new ATOM 0 HB2 LEU A 95 10.158 -5.914 24.432 1.00 74.00 H new ATOM 0 HB3 LEU A 95 8.723 -6.408 23.555 1.00 74.00 H new ATOM 0 HG LEU A 95 9.003 -3.586 24.574 1.00 42.33 H new ATOM 0 HD11 LEU A 95 9.959 -2.964 22.389 1.00 70.20 H new ATOM 0 HD12 LEU A 95 11.035 -4.054 23.294 1.00 70.20 H new ATOM 0 HD13 LEU A 95 10.058 -4.685 21.948 1.00 70.20 H new ATOM 0 HD21 LEU A 95 7.512 -3.107 22.670 1.00 3.15 H new ATOM 0 HD22 LEU A 95 7.515 -4.834 22.240 1.00 3.15 H new ATOM 0 HD23 LEU A 95 6.802 -4.302 23.781 1.00 3.15 H new ATOM 1471 N VAL A 96 6.325 -4.699 25.680 1.00 50.22 N ATOM 1472 CA VAL A 96 4.892 -4.472 25.531 1.00 45.23 C ATOM 1473 C VAL A 96 4.615 -3.131 24.860 1.00 64.11 C ATOM 1474 O VAL A 96 4.981 -2.076 25.381 1.00 64.45 O ATOM 1475 CB VAL A 96 4.173 -4.511 26.892 1.00 4.52 C ATOM 1476 CG1 VAL A 96 4.990 -3.781 27.948 1.00 32.54 C ATOM 1477 CG2 VAL A 96 2.780 -3.911 26.776 1.00 42.14 C ATOM 0 H VAL A 96 6.852 -3.881 25.985 1.00 50.22 H new ATOM 0 HA VAL A 96 4.508 -5.276 24.903 1.00 45.23 H new ATOM 0 HB VAL A 96 4.071 -5.552 27.200 1.00 4.52 H new ATOM 0 HG11 VAL A 96 4.467 -3.819 28.903 1.00 32.54 H new ATOM 0 HG12 VAL A 96 5.964 -4.259 28.049 1.00 32.54 H new ATOM 0 HG13 VAL A 96 5.125 -2.742 27.649 1.00 32.54 H new ATOM 0 HG21 VAL A 96 2.286 -3.947 27.747 1.00 42.14 H new ATOM 0 HG22 VAL A 96 2.856 -2.875 26.446 1.00 42.14 H new ATOM 0 HG23 VAL A 96 2.198 -4.481 26.052 1.00 42.14 H new ATOM 1487 N LEU A 97 3.966 -3.178 23.702 1.00 64.32 N ATOM 1488 CA LEU A 97 3.639 -1.967 22.958 1.00 12.44 C ATOM 1489 C LEU A 97 2.128 -1.794 22.837 1.00 2.44 C ATOM 1490 O LEU A 97 1.402 -2.750 22.563 1.00 43.12 O ATOM 1491 CB LEU A 97 4.272 -2.012 21.566 1.00 15.04 C ATOM 1492 CG LEU A 97 5.391 -1.004 21.305 1.00 25.20 C ATOM 1493 CD1 LEU A 97 4.849 0.416 21.332 1.00 14.12 C ATOM 1494 CD2 LEU A 97 6.507 -1.170 22.326 1.00 23.23 C ATOM 0 H LEU A 97 3.656 -4.042 23.258 1.00 64.32 H new ATOM 0 HA LEU A 97 4.041 -1.115 23.505 1.00 12.44 H new ATOM 0 HB2 LEU A 97 4.667 -3.014 21.401 1.00 15.04 H new ATOM 0 HB3 LEU A 97 3.487 -1.853 20.827 1.00 15.04 H new ATOM 0 HG LEU A 97 5.801 -1.195 20.313 1.00 25.20 H new ATOM 0 HD11 LEU A 97 5.661 1.119 21.144 1.00 14.12 H new ATOM 0 HD12 LEU A 97 4.086 0.529 20.562 1.00 14.12 H new ATOM 0 HD13 LEU A 97 4.411 0.620 22.309 1.00 14.12 H new ATOM 0 HD21 LEU A 97 7.295 -0.444 22.125 1.00 23.23 H new ATOM 0 HD22 LEU A 97 6.111 -1.007 23.328 1.00 23.23 H new ATOM 0 HD23 LEU A 97 6.916 -2.178 22.257 1.00 23.23 H new ATOM 1506 N THR A 98 1.660 -0.566 23.042 1.00 32.32 N ATOM 1507 CA THR A 98 0.236 -0.267 22.955 1.00 21.22 C ATOM 1508 C THR A 98 -0.014 0.973 22.105 1.00 72.01 C ATOM 1509 O THR A 98 0.522 2.046 22.382 1.00 41.11 O ATOM 1510 CB THR A 98 -0.379 -0.052 24.351 1.00 41.51 C ATOM 1511 OG1 THR A 98 -0.083 -1.170 25.195 1.00 75.14 O ATOM 1512 CG2 THR A 98 -1.886 0.134 24.255 1.00 3.25 C ATOM 0 H THR A 98 2.247 0.237 23.269 1.00 32.32 H new ATOM 0 HA THR A 98 -0.240 -1.128 22.485 1.00 21.22 H new ATOM 0 HB THR A 98 0.056 0.851 24.780 1.00 41.51 H new ATOM 0 HG1 THR A 98 -0.476 -1.024 26.081 1.00 75.14 H new ATOM 0 HG21 THR A 98 -2.298 0.284 25.253 1.00 3.25 H new ATOM 0 HG22 THR A 98 -2.107 1.004 23.637 1.00 3.25 H new ATOM 0 HG23 THR A 98 -2.334 -0.753 23.807 1.00 3.25 H new ATOM 1520 N TYR A 99 -0.832 0.819 21.070 1.00 51.34 N ATOM 1521 CA TYR A 99 -1.152 1.927 20.177 1.00 12.24 C ATOM 1522 C TYR A 99 -2.632 2.287 20.265 1.00 12.21 C ATOM 1523 O TYR A 99 -3.497 1.412 20.242 1.00 62.34 O ATOM 1524 CB TYR A 99 -0.787 1.570 18.736 1.00 52.35 C ATOM 1525 CG TYR A 99 0.443 0.699 18.620 1.00 21.13 C ATOM 1526 CD1 TYR A 99 1.716 1.241 18.743 1.00 4.55 C ATOM 1527 CD2 TYR A 99 0.333 -0.666 18.387 1.00 34.24 C ATOM 1528 CE1 TYR A 99 2.844 0.450 18.638 1.00 35.42 C ATOM 1529 CE2 TYR A 99 1.454 -1.466 18.282 1.00 10.02 C ATOM 1530 CZ TYR A 99 2.707 -0.904 18.408 1.00 1.51 C ATOM 1531 OH TYR A 99 3.827 -1.697 18.303 1.00 53.44 O ATOM 0 H TYR A 99 -1.286 -0.062 20.828 1.00 51.34 H new ATOM 0 HA TYR A 99 -0.567 2.792 20.489 1.00 12.24 H new ATOM 0 HB2 TYR A 99 -1.630 1.057 18.273 1.00 52.35 H new ATOM 0 HB3 TYR A 99 -0.625 2.489 18.173 1.00 52.35 H new ATOM 0 HD1 TYR A 99 1.826 2.300 18.924 1.00 4.55 H new ATOM 0 HD2 TYR A 99 -0.647 -1.110 18.286 1.00 34.24 H new ATOM 0 HE1 TYR A 99 3.826 0.888 18.735 1.00 35.42 H new ATOM 0 HE2 TYR A 99 1.350 -2.526 18.102 1.00 10.02 H new ATOM 0 HH TYR A 99 3.557 -2.625 18.142 1.00 53.44 H new ATOM 1541 N GLN A 100 -2.915 3.582 20.366 1.00 45.04 N ATOM 1542 CA GLN A 100 -4.289 4.059 20.457 1.00 75.31 C ATOM 1543 C GLN A 100 -4.404 5.491 19.947 1.00 40.45 C ATOM 1544 O GLN A 100 -3.707 6.387 20.421 1.00 50.44 O ATOM 1545 CB GLN A 100 -4.784 3.979 21.902 1.00 34.51 C ATOM 1546 CG GLN A 100 -6.123 4.664 22.126 1.00 44.32 C ATOM 1547 CD GLN A 100 -6.952 3.989 23.201 1.00 44.43 C ATOM 1548 OE1 GLN A 100 -7.884 3.241 22.904 1.00 44.40 O ATOM 1549 NE2 GLN A 100 -6.616 4.251 24.459 1.00 71.53 N ATOM 0 H GLN A 100 -2.210 4.319 20.387 1.00 45.04 H new ATOM 0 HA GLN A 100 -4.911 3.419 19.831 1.00 75.31 H new ATOM 0 HB2 GLN A 100 -4.869 2.931 22.191 1.00 34.51 H new ATOM 0 HB3 GLN A 100 -4.040 4.431 22.558 1.00 34.51 H new ATOM 0 HG2 GLN A 100 -5.953 5.704 22.404 1.00 44.32 H new ATOM 0 HG3 GLN A 100 -6.684 4.671 21.191 1.00 44.32 H new ATOM 0 HE21 GLN A 100 -5.836 4.877 24.659 1.00 71.53 H new ATOM 0 HE22 GLN A 100 -7.138 3.826 25.225 1.00 71.53 H new ATOM 1558 N GLY A 101 -5.289 5.700 18.976 1.00 65.22 N ATOM 1559 CA GLY A 101 -5.478 7.026 18.417 1.00 64.43 C ATOM 1560 C GLY A 101 -6.777 7.150 17.646 1.00 63.24 C ATOM 1561 O GLY A 101 -7.753 6.463 17.946 1.00 21.22 O ATOM 0 H GLY A 101 -5.878 4.975 18.567 1.00 65.22 H new ATOM 0 HA2 GLY A 101 -5.465 7.761 19.221 1.00 64.43 H new ATOM 0 HA3 GLY A 101 -4.643 7.261 17.757 1.00 64.43 H new ATOM 1565 N SER A 102 -6.790 8.030 16.649 1.00 31.35 N ATOM 1566 CA SER A 102 -7.981 8.246 15.836 1.00 31.15 C ATOM 1567 C SER A 102 -7.603 8.656 14.416 1.00 25.25 C ATOM 1568 O SER A 102 -6.442 8.952 14.133 1.00 54.41 O ATOM 1569 CB SER A 102 -8.869 9.319 16.470 1.00 43.23 C ATOM 1570 OG SER A 102 -10.027 8.746 17.050 1.00 74.42 O ATOM 0 H SER A 102 -5.989 8.604 16.385 1.00 31.35 H new ATOM 0 HA SER A 102 -8.534 7.308 15.789 1.00 31.15 H new ATOM 0 HB2 SER A 102 -8.306 9.858 17.232 1.00 43.23 H new ATOM 0 HB3 SER A 102 -9.160 10.048 15.714 1.00 43.23 H new ATOM 0 HG SER A 102 -10.736 8.689 16.376 1.00 74.42 H new ATOM 1576 N ALA A 103 -8.591 8.670 13.528 1.00 22.40 N ATOM 1577 CA ALA A 103 -8.363 9.044 12.138 1.00 52.50 C ATOM 1578 C ALA A 103 -8.550 10.544 11.936 1.00 2.43 C ATOM 1579 O ALA A 103 -9.463 11.146 12.500 1.00 52.21 O ATOM 1580 CB ALA A 103 -9.296 8.267 11.222 1.00 74.31 C ATOM 0 H ALA A 103 -9.557 8.427 13.746 1.00 22.40 H new ATOM 0 HA ALA A 103 -7.333 8.795 11.885 1.00 52.50 H new ATOM 0 HB1 ALA A 103 -9.114 8.557 10.187 1.00 74.31 H new ATOM 0 HB2 ALA A 103 -9.113 7.199 11.337 1.00 74.31 H new ATOM 0 HB3 ALA A 103 -10.331 8.488 11.484 1.00 74.31 H new ATOM 1586 N GLU A 104 -7.678 11.142 11.130 1.00 61.53 N ATOM 1587 CA GLU A 104 -7.747 12.572 10.856 1.00 11.11 C ATOM 1588 C GLU A 104 -9.111 12.952 10.287 1.00 31.11 C ATOM 1589 O GLU A 104 -9.528 14.107 10.365 1.00 32.02 O ATOM 1590 CB GLU A 104 -6.643 12.981 9.879 1.00 42.00 C ATOM 1591 CG GLU A 104 -5.583 13.876 10.499 1.00 64.15 C ATOM 1592 CD GLU A 104 -4.851 14.713 9.468 1.00 42.14 C ATOM 1593 OE1 GLU A 104 -4.062 14.139 8.688 1.00 51.41 O ATOM 1594 OE2 GLU A 104 -5.068 15.943 9.441 1.00 64.22 O ATOM 0 H GLU A 104 -6.916 10.658 10.656 1.00 61.53 H new ATOM 0 HA GLU A 104 -7.604 13.103 11.797 1.00 11.11 H new ATOM 0 HB2 GLU A 104 -6.165 12.083 9.488 1.00 42.00 H new ATOM 0 HB3 GLU A 104 -7.093 13.498 9.031 1.00 42.00 H new ATOM 0 HG2 GLU A 104 -6.051 14.535 11.230 1.00 64.15 H new ATOM 0 HG3 GLU A 104 -4.864 13.261 11.039 1.00 64.15 H new ATOM 1601 N ALA A 105 -9.801 11.971 9.714 1.00 24.21 N ATOM 1602 CA ALA A 105 -11.117 12.201 9.133 1.00 35.21 C ATOM 1603 C ALA A 105 -12.177 12.354 10.219 1.00 73.22 C ATOM 1604 O ALA A 105 -13.178 13.044 10.030 1.00 0.32 O ATOM 1605 CB ALA A 105 -11.485 11.064 8.191 1.00 24.20 C ATOM 0 H ALA A 105 -9.470 11.009 9.640 1.00 24.21 H new ATOM 0 HA ALA A 105 -11.078 13.131 8.565 1.00 35.21 H new ATOM 0 HB1 ALA A 105 -12.471 11.250 7.764 1.00 24.20 H new ATOM 0 HB2 ALA A 105 -10.749 11.003 7.390 1.00 24.20 H new ATOM 0 HB3 ALA A 105 -11.500 10.124 8.743 1.00 24.20 H new ATOM 1611 N GLY A 106 -11.951 11.704 11.357 1.00 41.04 N ATOM 1612 CA GLY A 106 -12.896 11.780 12.455 1.00 1.42 C ATOM 1613 C GLY A 106 -13.421 10.419 12.864 1.00 31.40 C ATOM 1614 O GLY A 106 -14.622 10.245 13.071 1.00 72.44 O ATOM 0 H GLY A 106 -11.130 11.126 11.538 1.00 41.04 H new ATOM 0 HA2 GLY A 106 -12.416 12.253 13.312 1.00 1.42 H new ATOM 0 HA3 GLY A 106 -13.732 12.417 12.167 1.00 1.42 H new ATOM 1618 N VAL A 107 -12.520 9.449 12.980 1.00 64.43 N ATOM 1619 CA VAL A 107 -12.899 8.095 13.366 1.00 65.32 C ATOM 1620 C VAL A 107 -12.119 7.634 14.592 1.00 4.42 C ATOM 1621 O VAL A 107 -10.944 7.966 14.754 1.00 44.41 O ATOM 1622 CB VAL A 107 -12.663 7.097 12.217 1.00 62.53 C ATOM 1623 CG1 VAL A 107 -12.899 5.671 12.691 1.00 73.32 C ATOM 1624 CG2 VAL A 107 -13.557 7.428 11.032 1.00 41.34 C ATOM 0 H VAL A 107 -11.522 9.576 12.812 1.00 64.43 H new ATOM 0 HA VAL A 107 -13.963 8.120 13.604 1.00 65.32 H new ATOM 0 HB VAL A 107 -11.625 7.180 11.894 1.00 62.53 H new ATOM 0 HG11 VAL A 107 -12.728 4.980 11.866 1.00 73.32 H new ATOM 0 HG12 VAL A 107 -12.213 5.440 13.506 1.00 73.32 H new ATOM 0 HG13 VAL A 107 -13.926 5.569 13.042 1.00 73.32 H new ATOM 0 HG21 VAL A 107 -13.377 6.713 10.229 1.00 41.34 H new ATOM 0 HG22 VAL A 107 -14.602 7.374 11.338 1.00 41.34 H new ATOM 0 HG23 VAL A 107 -13.334 8.434 10.678 1.00 41.34 H new ATOM 1634 N CYS A 108 -12.779 6.868 15.453 1.00 11.21 N ATOM 1635 CA CYS A 108 -12.148 6.362 16.666 1.00 23.45 C ATOM 1636 C CYS A 108 -12.133 4.836 16.676 1.00 52.52 C ATOM 1637 O CYS A 108 -13.176 4.195 16.546 1.00 61.23 O ATOM 1638 CB CYS A 108 -12.880 6.884 17.903 1.00 4.35 C ATOM 1639 SG CYS A 108 -14.666 6.606 17.877 1.00 61.20 S ATOM 0 H CYS A 108 -13.751 6.584 15.333 1.00 11.21 H new ATOM 0 HA CYS A 108 -11.118 6.718 16.685 1.00 23.45 H new ATOM 0 HB2 CYS A 108 -12.462 6.405 18.788 1.00 4.35 H new ATOM 0 HB3 CYS A 108 -12.691 7.953 17.999 1.00 4.35 H new ATOM 0 HG CYS A 108 -14.921 5.475 17.288 1.00 61.20 H new ATOM 1645 N TYR A 109 -10.945 4.263 16.829 1.00 71.54 N ATOM 1646 CA TYR A 109 -10.794 2.812 16.850 1.00 0.55 C ATOM 1647 C TYR A 109 -10.286 2.338 18.209 1.00 42.15 C ATOM 1648 O TYR A 109 -9.740 3.108 18.999 1.00 23.33 O ATOM 1649 CB TYR A 109 -9.834 2.362 15.748 1.00 4.14 C ATOM 1650 CG TYR A 109 -8.767 3.382 15.421 1.00 5.01 C ATOM 1651 CD1 TYR A 109 -9.009 4.401 14.507 1.00 24.44 C ATOM 1652 CD2 TYR A 109 -7.516 3.327 16.024 1.00 32.23 C ATOM 1653 CE1 TYR A 109 -8.037 5.334 14.205 1.00 45.44 C ATOM 1654 CE2 TYR A 109 -6.539 4.257 15.729 1.00 42.13 C ATOM 1655 CZ TYR A 109 -6.804 5.259 14.818 1.00 25.32 C ATOM 1656 OH TYR A 109 -5.832 6.187 14.520 1.00 70.51 O ATOM 0 H TYR A 109 -10.073 4.780 16.940 1.00 71.54 H new ATOM 0 HA TYR A 109 -11.773 2.367 16.673 1.00 0.55 H new ATOM 0 HB2 TYR A 109 -9.354 1.432 16.053 1.00 4.14 H new ATOM 0 HB3 TYR A 109 -10.406 2.145 14.846 1.00 4.14 H new ATOM 0 HD1 TYR A 109 -9.973 4.464 14.025 1.00 24.44 H new ATOM 0 HD2 TYR A 109 -7.304 2.543 16.736 1.00 32.23 H new ATOM 0 HE1 TYR A 109 -8.241 6.119 13.492 1.00 45.44 H new ATOM 0 HE2 TYR A 109 -5.573 4.201 16.209 1.00 42.13 H new ATOM 0 HH TYR A 109 -5.908 6.449 13.579 1.00 70.51 H new ATOM 1666 N PRO A 110 -10.469 1.039 18.487 1.00 63.35 N ATOM 1667 CA PRO A 110 -10.035 0.430 19.748 1.00 53.41 C ATOM 1668 C PRO A 110 -8.517 0.341 19.857 1.00 61.35 C ATOM 1669 O PRO A 110 -7.795 0.401 18.861 1.00 24.23 O ATOM 1670 CB PRO A 110 -10.651 -0.970 19.697 1.00 54.15 C ATOM 1671 CG PRO A 110 -10.816 -1.258 18.244 1.00 31.22 C ATOM 1672 CD PRO A 110 -11.112 0.063 17.591 1.00 53.23 C ATOM 0 HA PRO A 110 -10.347 1.016 20.612 1.00 53.41 H new ATOM 0 HB2 PRO A 110 -10.004 -1.705 20.175 1.00 54.15 H new ATOM 0 HB3 PRO A 110 -11.608 -1.001 20.218 1.00 54.15 H new ATOM 0 HG2 PRO A 110 -9.912 -1.704 17.830 1.00 31.22 H new ATOM 0 HG3 PRO A 110 -11.627 -1.967 18.076 1.00 31.22 H new ATOM 0 HD2 PRO A 110 -10.702 0.113 16.582 1.00 53.23 H new ATOM 0 HD3 PRO A 110 -12.185 0.239 17.509 1.00 53.23 H new ATOM 1680 N PRO A 111 -8.019 0.193 21.093 1.00 30.12 N ATOM 1681 CA PRO A 111 -6.581 0.091 21.361 1.00 74.43 C ATOM 1682 C PRO A 111 -5.991 -1.223 20.860 1.00 45.10 C ATOM 1683 O PRO A 111 -6.683 -2.238 20.786 1.00 64.31 O ATOM 1684 CB PRO A 111 -6.498 0.167 22.887 1.00 34.23 C ATOM 1685 CG PRO A 111 -7.823 -0.320 23.363 1.00 34.04 C ATOM 1686 CD PRO A 111 -8.821 0.114 22.325 1.00 33.45 C ATOM 0 HA PRO A 111 -6.015 0.870 20.851 1.00 74.43 H new ATOM 0 HB2 PRO A 111 -5.687 -0.452 23.271 1.00 34.23 H new ATOM 0 HB3 PRO A 111 -6.307 1.186 23.223 1.00 34.23 H new ATOM 0 HG2 PRO A 111 -7.823 -1.404 23.475 1.00 34.04 H new ATOM 0 HG3 PRO A 111 -8.066 0.101 24.338 1.00 34.04 H new ATOM 0 HD2 PRO A 111 -9.637 -0.602 22.228 1.00 33.45 H new ATOM 0 HD3 PRO A 111 -9.269 1.076 22.575 1.00 33.45 H new ATOM 1694 N VAL A 112 -4.706 -1.196 20.517 1.00 34.44 N ATOM 1695 CA VAL A 112 -4.022 -2.386 20.025 1.00 42.20 C ATOM 1696 C VAL A 112 -2.796 -2.705 20.873 1.00 2.11 C ATOM 1697 O VAL A 112 -1.810 -1.968 20.859 1.00 65.22 O ATOM 1698 CB VAL A 112 -3.587 -2.216 18.557 1.00 10.12 C ATOM 1699 CG1 VAL A 112 -3.104 -3.541 17.987 1.00 42.55 C ATOM 1700 CG2 VAL A 112 -4.729 -1.653 17.725 1.00 14.44 C ATOM 0 H VAL A 112 -4.119 -0.364 20.571 1.00 34.44 H new ATOM 0 HA VAL A 112 -4.732 -3.210 20.093 1.00 42.20 H new ATOM 0 HB VAL A 112 -2.759 -1.508 18.521 1.00 10.12 H new ATOM 0 HG11 VAL A 112 -2.801 -3.402 16.949 1.00 42.55 H new ATOM 0 HG12 VAL A 112 -2.254 -3.899 18.568 1.00 42.55 H new ATOM 0 HG13 VAL A 112 -3.910 -4.273 18.034 1.00 42.55 H new ATOM 0 HG21 VAL A 112 -4.404 -1.539 16.691 1.00 14.44 H new ATOM 0 HG22 VAL A 112 -5.579 -2.334 17.766 1.00 14.44 H new ATOM 0 HG23 VAL A 112 -5.023 -0.681 18.122 1.00 14.44 H new ATOM 1710 N ASP A 113 -2.864 -3.808 21.611 1.00 54.44 N ATOM 1711 CA ASP A 113 -1.759 -4.226 22.465 1.00 60.23 C ATOM 1712 C ASP A 113 -0.952 -5.339 21.803 1.00 50.22 C ATOM 1713 O ASP A 113 -1.515 -6.282 21.245 1.00 5.12 O ATOM 1714 CB ASP A 113 -2.285 -4.698 23.821 1.00 21.41 C ATOM 1715 CG ASP A 113 -2.984 -6.041 23.735 1.00 15.45 C ATOM 1716 OD1 ASP A 113 -4.157 -6.072 23.309 1.00 55.43 O ATOM 1717 OD2 ASP A 113 -2.359 -7.060 24.096 1.00 33.01 O ATOM 0 H ASP A 113 -3.673 -4.429 21.635 1.00 54.44 H new ATOM 0 HA ASP A 113 -1.104 -3.368 22.617 1.00 60.23 H new ATOM 0 HB2 ASP A 113 -1.456 -4.768 24.525 1.00 21.41 H new ATOM 0 HB3 ASP A 113 -2.978 -3.956 24.217 1.00 21.41 H new ATOM 1722 N THR A 114 0.371 -5.222 21.867 1.00 72.21 N ATOM 1723 CA THR A 114 1.255 -6.216 21.272 1.00 24.11 C ATOM 1724 C THR A 114 2.570 -6.310 22.038 1.00 63.14 C ATOM 1725 O THR A 114 3.291 -5.322 22.175 1.00 53.05 O ATOM 1726 CB THR A 114 1.555 -5.890 19.797 1.00 45.11 C ATOM 1727 OG1 THR A 114 0.945 -4.646 19.436 1.00 33.02 O ATOM 1728 CG2 THR A 114 1.046 -6.995 18.884 1.00 54.31 C ATOM 0 H THR A 114 0.853 -4.449 22.325 1.00 72.21 H new ATOM 0 HA THR A 114 0.737 -7.173 21.326 1.00 24.11 H new ATOM 0 HB THR A 114 2.636 -5.812 19.678 1.00 45.11 H new ATOM 0 HG1 THR A 114 1.004 -4.522 18.466 1.00 33.02 H new ATOM 0 HG21 THR A 114 1.269 -6.742 17.847 1.00 54.31 H new ATOM 0 HG22 THR A 114 1.535 -7.934 19.142 1.00 54.31 H new ATOM 0 HG23 THR A 114 -0.032 -7.101 19.007 1.00 54.31 H new ATOM 1736 N GLU A 115 2.877 -7.505 22.534 1.00 52.31 N ATOM 1737 CA GLU A 115 4.106 -7.726 23.286 1.00 63.10 C ATOM 1738 C GLU A 115 5.145 -8.447 22.431 1.00 34.12 C ATOM 1739 O GLU A 115 4.806 -9.301 21.612 1.00 73.22 O ATOM 1740 CB GLU A 115 3.818 -8.538 24.550 1.00 33.13 C ATOM 1741 CG GLU A 115 3.077 -7.755 25.621 1.00 4.42 C ATOM 1742 CD GLU A 115 1.622 -7.518 25.269 1.00 15.13 C ATOM 1743 OE1 GLU A 115 0.793 -8.411 25.544 1.00 72.25 O ATOM 1744 OE2 GLU A 115 1.311 -6.441 24.720 1.00 51.42 O ATOM 0 H GLU A 115 2.292 -8.334 22.428 1.00 52.31 H new ATOM 0 HA GLU A 115 4.507 -6.753 23.571 1.00 63.10 H new ATOM 0 HB2 GLU A 115 3.230 -9.416 24.282 1.00 33.13 H new ATOM 0 HB3 GLU A 115 4.760 -8.899 24.962 1.00 33.13 H new ATOM 0 HG2 GLU A 115 3.135 -8.295 26.566 1.00 4.42 H new ATOM 0 HG3 GLU A 115 3.571 -6.795 25.772 1.00 4.42 H new ATOM 1751 N PHE A 116 6.411 -8.096 22.628 1.00 62.20 N ATOM 1752 CA PHE A 116 7.500 -8.708 21.875 1.00 52.22 C ATOM 1753 C PHE A 116 8.526 -9.335 22.814 1.00 74.40 C ATOM 1754 O PHE A 116 9.044 -8.675 23.715 1.00 71.42 O ATOM 1755 CB PHE A 116 8.179 -7.667 20.982 1.00 14.33 C ATOM 1756 CG PHE A 116 7.220 -6.908 20.110 1.00 15.13 C ATOM 1757 CD1 PHE A 116 6.287 -7.579 19.336 1.00 35.14 C ATOM 1758 CD2 PHE A 116 7.251 -5.523 20.065 1.00 75.41 C ATOM 1759 CE1 PHE A 116 5.403 -6.883 18.533 1.00 65.24 C ATOM 1760 CE2 PHE A 116 6.370 -4.822 19.263 1.00 34.12 C ATOM 1761 CZ PHE A 116 5.444 -5.503 18.497 1.00 62.01 C ATOM 0 H PHE A 116 6.709 -7.391 23.303 1.00 62.20 H new ATOM 0 HA PHE A 116 7.078 -9.494 21.249 1.00 52.22 H new ATOM 0 HB2 PHE A 116 8.723 -6.961 21.610 1.00 14.33 H new ATOM 0 HB3 PHE A 116 8.915 -8.166 20.351 1.00 14.33 H new ATOM 0 HD1 PHE A 116 6.250 -8.658 19.360 1.00 35.14 H new ATOM 0 HD2 PHE A 116 7.972 -4.985 20.663 1.00 75.41 H new ATOM 0 HE1 PHE A 116 4.681 -7.418 17.934 1.00 65.24 H new ATOM 0 HE2 PHE A 116 6.406 -3.743 19.235 1.00 34.12 H new ATOM 0 HZ PHE A 116 4.753 -4.957 17.871 1.00 62.01 H new ATOM 1771 N ASP A 117 8.813 -10.614 22.597 1.00 71.01 N ATOM 1772 CA ASP A 117 9.777 -11.332 23.423 1.00 72.03 C ATOM 1773 C ASP A 117 11.190 -11.177 22.868 1.00 15.24 C ATOM 1774 O ASP A 117 11.508 -11.699 21.800 1.00 41.24 O ATOM 1775 CB ASP A 117 9.407 -12.814 23.504 1.00 43.03 C ATOM 1776 CG ASP A 117 8.014 -13.034 24.060 1.00 43.20 C ATOM 1777 OD1 ASP A 117 7.722 -12.505 25.153 1.00 61.23 O ATOM 1778 OD2 ASP A 117 7.216 -13.735 23.403 1.00 65.21 O ATOM 0 H ASP A 117 8.392 -11.175 21.856 1.00 71.01 H new ATOM 0 HA ASP A 117 9.751 -10.904 24.425 1.00 72.03 H new ATOM 0 HB2 ASP A 117 9.472 -13.256 22.510 1.00 43.03 H new ATOM 0 HB3 ASP A 117 10.132 -13.332 24.132 1.00 43.03 H new ATOM 1783 N ILE A 118 12.031 -10.456 23.601 1.00 2.42 N ATOM 1784 CA ILE A 118 13.409 -10.232 23.182 1.00 3.14 C ATOM 1785 C ILE A 118 14.336 -11.303 23.747 1.00 61.20 C ATOM 1786 O ILE A 118 14.304 -11.600 24.941 1.00 21.53 O ATOM 1787 CB ILE A 118 13.915 -8.846 23.626 1.00 74.31 C ATOM 1788 CG1 ILE A 118 12.832 -7.789 23.401 1.00 43.55 C ATOM 1789 CG2 ILE A 118 15.185 -8.480 22.874 1.00 63.33 C ATOM 1790 CD1 ILE A 118 12.413 -7.651 21.954 1.00 63.55 C ATOM 0 H ILE A 118 11.783 -10.017 24.488 1.00 2.42 H new ATOM 0 HA ILE A 118 13.419 -10.282 22.093 1.00 3.14 H new ATOM 0 HB ILE A 118 14.145 -8.883 24.691 1.00 74.31 H new ATOM 0 HG12 ILE A 118 11.958 -8.043 24.001 1.00 43.55 H new ATOM 0 HG13 ILE A 118 13.196 -6.826 23.759 1.00 43.55 H new ATOM 0 HG21 ILE A 118 15.530 -7.498 23.199 1.00 63.33 H new ATOM 0 HG22 ILE A 118 15.956 -9.222 23.080 1.00 63.33 H new ATOM 0 HG23 ILE A 118 14.980 -8.457 21.804 1.00 63.33 H new ATOM 0 HD11 ILE A 118 11.643 -6.884 21.870 1.00 63.55 H new ATOM 0 HD12 ILE A 118 13.275 -7.367 21.351 1.00 63.55 H new ATOM 0 HD13 ILE A 118 12.018 -8.602 21.597 1.00 63.55 H new ATOM 1802 N PHE A 119 15.163 -11.879 22.880 1.00 11.04 N ATOM 1803 CA PHE A 119 16.101 -12.917 23.292 1.00 35.14 C ATOM 1804 C PHE A 119 17.220 -13.077 22.268 1.00 52.23 C ATOM 1805 O PHE A 119 17.780 -14.160 22.107 1.00 33.55 O ATOM 1806 CB PHE A 119 15.370 -14.249 23.479 1.00 43.24 C ATOM 1807 CG PHE A 119 14.252 -14.461 22.499 1.00 72.21 C ATOM 1808 CD1 PHE A 119 14.452 -14.257 21.143 1.00 3.23 C ATOM 1809 CD2 PHE A 119 13.000 -14.865 22.934 1.00 54.32 C ATOM 1810 CE1 PHE A 119 13.425 -14.452 20.239 1.00 42.30 C ATOM 1811 CE2 PHE A 119 11.969 -15.062 22.034 1.00 0.43 C ATOM 1812 CZ PHE A 119 12.182 -14.854 20.685 1.00 13.34 C ATOM 0 H PHE A 119 15.202 -11.644 21.888 1.00 11.04 H new ATOM 0 HA PHE A 119 16.543 -12.616 24.242 1.00 35.14 H new ATOM 0 HB2 PHE A 119 16.087 -15.064 23.382 1.00 43.24 H new ATOM 0 HB3 PHE A 119 14.969 -14.295 24.491 1.00 43.24 H new ATOM 0 HD1 PHE A 119 15.422 -13.942 20.788 1.00 3.23 H new ATOM 0 HD2 PHE A 119 12.828 -15.028 23.988 1.00 54.32 H new ATOM 0 HE1 PHE A 119 13.595 -14.290 19.185 1.00 42.30 H new ATOM 0 HE2 PHE A 119 10.998 -15.378 22.385 1.00 0.43 H new ATOM 0 HZ PHE A 119 11.377 -15.006 19.981 1.00 13.34 H new ATOM 1822 N GLY A 120 17.540 -11.988 21.575 1.00 1.22 N ATOM 1823 CA GLY A 120 18.590 -12.027 20.574 1.00 30.41 C ATOM 1824 C GLY A 120 18.047 -12.217 19.172 1.00 51.34 C ATOM 1825 O GLY A 120 17.665 -13.322 18.791 1.00 71.41 O ATOM 0 H GLY A 120 17.091 -11.079 21.689 1.00 1.22 H new ATOM 0 HA2 GLY A 120 19.163 -11.100 20.616 1.00 30.41 H new ATOM 0 HA3 GLY A 120 19.279 -12.839 20.806 1.00 30.41 H new ATOM 1829 N ASN A 121 18.011 -11.134 18.402 1.00 71.05 N ATOM 1830 CA ASN A 121 17.508 -11.186 17.033 1.00 1.55 C ATOM 1831 C ASN A 121 17.633 -9.824 16.356 1.00 22.13 C ATOM 1832 O ASN A 121 18.069 -9.727 15.210 1.00 71.01 O ATOM 1833 CB ASN A 121 16.048 -11.641 17.022 1.00 75.24 C ATOM 1834 CG ASN A 121 15.777 -12.689 15.959 1.00 24.01 C ATOM 1835 OD1 ASN A 121 15.239 -12.385 14.895 1.00 72.14 O ATOM 1836 ND2 ASN A 121 16.151 -13.931 16.245 1.00 42.14 N ATOM 0 H ASN A 121 18.324 -10.211 18.702 1.00 71.05 H new ATOM 0 HA ASN A 121 18.110 -11.905 16.477 1.00 1.55 H new ATOM 0 HB2 ASN A 121 15.789 -12.045 18.001 1.00 75.24 H new ATOM 0 HB3 ASN A 121 15.403 -10.779 16.851 1.00 75.24 H new ATOM 0 HD21 ASN A 121 15.995 -14.679 15.569 1.00 42.14 H new ATOM 0 HD22 ASN A 121 16.594 -14.137 17.140 1.00 42.14 H new ATOM 1843 N GLY A 122 17.248 -8.774 17.075 1.00 1.11 N ATOM 1844 CA GLY A 122 17.325 -7.432 16.528 1.00 3.00 C ATOM 1845 C GLY A 122 15.985 -6.932 16.026 1.00 20.51 C ATOM 1846 O GLY A 122 15.371 -6.058 16.638 1.00 54.33 O ATOM 0 H GLY A 122 16.884 -8.829 18.026 1.00 1.11 H new ATOM 0 HA2 GLY A 122 17.699 -6.752 17.293 1.00 3.00 H new ATOM 0 HA3 GLY A 122 18.044 -7.418 15.709 1.00 3.00 H new ATOM 1850 N THR A 123 15.529 -7.488 14.907 1.00 3.34 N ATOM 1851 CA THR A 123 14.255 -7.092 14.322 1.00 51.44 C ATOM 1852 C THR A 123 13.118 -7.968 14.834 1.00 21.24 C ATOM 1853 O THR A 123 13.234 -9.194 14.870 1.00 55.51 O ATOM 1854 CB THR A 123 14.295 -7.170 12.784 1.00 51.02 C ATOM 1855 OG1 THR A 123 15.653 -7.181 12.329 1.00 53.20 O ATOM 1856 CG2 THR A 123 13.556 -5.994 12.163 1.00 61.23 C ATOM 0 H THR A 123 16.024 -8.214 14.389 1.00 3.34 H new ATOM 0 HA THR A 123 14.077 -6.059 14.622 1.00 51.44 H new ATOM 0 HB THR A 123 13.802 -8.092 12.476 1.00 51.02 H new ATOM 0 HG1 THR A 123 15.670 -7.232 11.350 1.00 53.20 H new ATOM 0 HG21 THR A 123 13.598 -6.071 11.077 1.00 61.23 H new ATOM 0 HG22 THR A 123 12.516 -6.006 12.488 1.00 61.23 H new ATOM 0 HG23 THR A 123 14.024 -5.062 12.479 1.00 61.23 H new ATOM 1864 N TYR A 124 12.020 -7.334 15.230 1.00 3.51 N ATOM 1865 CA TYR A 124 10.862 -8.056 15.743 1.00 64.33 C ATOM 1866 C TYR A 124 9.565 -7.440 15.230 1.00 75.15 C ATOM 1867 O TYR A 124 9.486 -6.233 14.996 1.00 30.44 O ATOM 1868 CB TYR A 124 10.871 -8.055 17.272 1.00 34.43 C ATOM 1869 CG TYR A 124 12.139 -8.620 17.871 1.00 12.04 C ATOM 1870 CD1 TYR A 124 13.310 -7.873 17.900 1.00 51.05 C ATOM 1871 CD2 TYR A 124 12.166 -9.900 18.410 1.00 35.54 C ATOM 1872 CE1 TYR A 124 14.471 -8.385 18.445 1.00 30.32 C ATOM 1873 CE2 TYR A 124 13.322 -10.420 18.959 1.00 33.45 C ATOM 1874 CZ TYR A 124 14.472 -9.659 18.974 1.00 31.21 C ATOM 1875 OH TYR A 124 15.626 -10.173 19.520 1.00 41.52 O ATOM 0 H TYR A 124 11.908 -6.321 15.205 1.00 3.51 H new ATOM 0 HA TYR A 124 10.920 -9.085 15.387 1.00 64.33 H new ATOM 0 HB2 TYR A 124 10.735 -7.033 17.627 1.00 34.43 H new ATOM 0 HB3 TYR A 124 10.020 -8.633 17.632 1.00 34.43 H new ATOM 0 HD1 TYR A 124 13.312 -6.874 17.489 1.00 51.05 H new ATOM 0 HD2 TYR A 124 11.267 -10.499 18.400 1.00 35.54 H new ATOM 0 HE1 TYR A 124 15.373 -7.791 18.457 1.00 30.32 H new ATOM 0 HE2 TYR A 124 13.325 -11.417 19.374 1.00 33.45 H new ATOM 0 HH TYR A 124 15.526 -10.241 20.492 1.00 41.52 H new ATOM 1885 N HIS A 125 8.547 -8.278 15.056 1.00 23.02 N ATOM 1886 CA HIS A 125 7.251 -7.817 14.572 1.00 40.12 C ATOM 1887 C HIS A 125 6.118 -8.627 15.195 1.00 25.04 C ATOM 1888 O HIS A 125 6.291 -9.781 15.588 1.00 63.22 O ATOM 1889 CB HIS A 125 7.187 -7.918 13.048 1.00 70.44 C ATOM 1890 CG HIS A 125 7.907 -6.810 12.343 1.00 63.43 C ATOM 1891 ND1 HIS A 125 9.230 -6.597 12.148 1.00 15.12 N flip ATOM 1892 CD2 HIS A 125 7.258 -5.754 11.740 1.00 73.53 C flip ATOM 1893 CE1 HIS A 125 9.354 -5.429 11.437 1.00 70.05 C flip ATOM 1894 NE2 HIS A 125 8.149 -4.940 11.204 1.00 15.01 N flip ATOM 0 H HIS A 125 8.595 -9.280 15.243 1.00 23.02 H new ATOM 0 HA HIS A 125 7.132 -6.774 14.865 1.00 40.12 H new ATOM 0 HB2 HIS A 125 7.613 -8.872 12.737 1.00 70.44 H new ATOM 0 HB3 HIS A 125 6.143 -7.918 12.736 1.00 70.44 H new ATOM 0 HD2 HIS A 125 6.188 -5.614 11.711 1.00 73.53 H new ATOM 0 HE1 HIS A 125 10.285 -4.983 11.120 1.00 70.05 H new ATOM 0 HE2 HIS A 125 7.942 -4.080 10.696 1.00 15.01 H new ATOM 1902 N PRO A 126 4.931 -8.010 15.291 1.00 44.15 N ATOM 1903 CA PRO A 126 3.748 -8.655 15.866 1.00 74.21 C ATOM 1904 C PRO A 126 3.207 -9.771 14.978 1.00 33.14 C ATOM 1905 O PRO A 126 3.106 -9.614 13.762 1.00 34.20 O ATOM 1906 CB PRO A 126 2.734 -7.513 15.966 1.00 50.53 C ATOM 1907 CG PRO A 126 3.154 -6.541 14.918 1.00 44.42 C ATOM 1908 CD PRO A 126 4.653 -6.635 14.843 1.00 3.21 C ATOM 0 HA PRO A 126 3.968 -9.133 16.821 1.00 74.21 H new ATOM 0 HB2 PRO A 126 1.719 -7.869 15.792 1.00 50.53 H new ATOM 0 HB3 PRO A 126 2.747 -7.058 16.956 1.00 50.53 H new ATOM 0 HG2 PRO A 126 2.699 -6.782 13.957 1.00 44.42 H new ATOM 0 HG3 PRO A 126 2.839 -5.530 15.175 1.00 44.42 H new ATOM 0 HD2 PRO A 126 5.016 -6.461 13.830 1.00 3.21 H new ATOM 0 HD3 PRO A 126 5.135 -5.898 15.485 1.00 3.21 H new ATOM 1916 N GLN A 127 2.860 -10.896 15.595 1.00 25.33 N ATOM 1917 CA GLN A 127 2.330 -12.038 14.860 1.00 61.13 C ATOM 1918 C GLN A 127 0.816 -12.131 15.016 1.00 12.33 C ATOM 1919 O GLN A 127 0.266 -13.215 15.213 1.00 11.11 O ATOM 1920 CB GLN A 127 2.985 -13.333 15.344 1.00 10.34 C ATOM 1921 CG GLN A 127 2.828 -13.572 16.837 1.00 32.13 C ATOM 1922 CD GLN A 127 3.269 -14.961 17.255 1.00 35.13 C ATOM 1923 OE1 GLN A 127 3.683 -15.770 16.424 1.00 11.32 O ATOM 1924 NE2 GLN A 127 3.182 -15.246 18.549 1.00 14.34 N ATOM 0 H GLN A 127 2.936 -11.041 16.602 1.00 25.33 H new ATOM 0 HA GLN A 127 2.560 -11.896 13.804 1.00 61.13 H new ATOM 0 HB2 GLN A 127 2.552 -14.174 14.802 1.00 10.34 H new ATOM 0 HB3 GLN A 127 4.047 -13.308 15.098 1.00 10.34 H new ATOM 0 HG2 GLN A 127 3.411 -12.830 17.383 1.00 32.13 H new ATOM 0 HG3 GLN A 127 1.785 -13.427 17.117 1.00 32.13 H new ATOM 0 HE21 GLN A 127 2.833 -14.545 19.203 1.00 14.34 H new ATOM 0 HE22 GLN A 127 3.464 -16.165 18.889 1.00 14.34 H new ATOM 1933 N THR A 128 0.145 -10.986 14.928 1.00 5.00 N ATOM 1934 CA THR A 128 -1.305 -10.937 15.061 1.00 30.54 C ATOM 1935 C THR A 128 -1.986 -11.731 13.952 1.00 10.12 C ATOM 1936 O THR A 128 -1.757 -11.484 12.768 1.00 54.22 O ATOM 1937 CB THR A 128 -1.824 -9.487 15.032 1.00 24.34 C ATOM 1938 OG1 THR A 128 -0.968 -8.677 14.219 1.00 72.35 O ATOM 1939 CG2 THR A 128 -1.892 -8.909 16.438 1.00 42.23 C ATOM 0 H THR A 128 0.584 -10.080 14.765 1.00 5.00 H new ATOM 0 HA THR A 128 -1.549 -11.383 16.025 1.00 30.54 H new ATOM 0 HB THR A 128 -2.829 -9.492 14.609 1.00 24.34 H new ATOM 0 HG1 THR A 128 -1.305 -7.757 14.204 1.00 72.35 H new ATOM 0 HG21 THR A 128 -2.261 -7.884 16.393 1.00 42.23 H new ATOM 0 HG22 THR A 128 -2.567 -9.511 17.047 1.00 42.23 H new ATOM 0 HG23 THR A 128 -0.897 -8.917 16.883 1.00 42.23 H new TER 1947 THR A 128