USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 798 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 30 LYS NZ :NH3+ 155:sc= 1.44 (180deg=0.901) USER MOD Set 1.2: A 107 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 93 TYR OH : rot 24:sc= -11.6! USER MOD Set 2.2: A 94 HIS : no HE2:sc= -42.9! C(o=-54!,f=-58!) USER MOD Set 3.1: A 92 GLN :FLIP amide:sc= -1.76 F(o=-5.6!,f=-3.2) USER MOD Set 3.2: A 95 GLN :FLIP amide:sc= -1.49 F(o=-4.1!,f=-3.2) USER MOD Set 4.1: A 81 LYS NZ :NH3+ -168:sc= -2.52! (180deg=-3.22!) USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 51 THR OG1 : rot -108:sc= -11.5! USER MOD Set 5.2: A 103 THR OG1 : rot -64:sc= -7.41! USER MOD Set 6.1: A 48 SER OG : rot -34:sc= -5.39! USER MOD Set 6.2: A 63 HIS : no HE2:sc= -25.5! C(o=-31!,f=-34!) USER MOD Set 7.1: A 39 SER OG : rot -147:sc= -3.98! USER MOD Set 7.2: A 44 THR OG1 : rot -63:sc= -9.07! USER MOD Set 7.3: A 46 THR OG1 : rot -69:sc= -2.89! USER MOD Set 7.4: A 65 HIS : no HD1:sc= -22.5! C(o=-38!,f=-39!) USER MOD Set 8.1: A 13 ASN :FLIP amide:sc= -14.8! C(o=-52!,f=-45!) USER MOD Set 8.2: A 35 MET CE :methyl -155:sc= -29.9! (180deg=-29.5!) USER MOD Set 9.1: A 17 SER OG : rot -143:sc= -0.105 USER MOD Set 9.2: A 20 LYS NZ :NH3+ -105:sc= -4.91! (180deg=-6.03!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 165:sc= -3.77! USER MOD Single : A 12 TYR OH : rot 119:sc= -2.25! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 41 THR OG1 : rot -173:sc= -7.74! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= -4.22! (180deg=-7.8!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0.378 USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= 0.636 (180deg=0.0725) USER MOD Single : A 64 TYR OH : rot -110:sc= -5.27! USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= -4.98! (180deg=-8.9!) USER MOD Single : A 69 THR OG1 : rot -59:sc= 0.747 USER MOD Single : A 70 ASN : amide:sc= -0.0021 K(o=-0.0021,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -61:sc= 0.2 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 86 SER OG : rot -44:sc= -2.15! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 CYS SG : rot 50:sc= -0.218 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.722 9.030 4.362 1.00 0.00 N ATOM 36 CA LEU A 6 -5.482 8.693 5.037 1.00 0.00 C ATOM 37 C LEU A 6 -4.440 9.771 4.822 1.00 0.00 C ATOM 38 O LEU A 6 -4.352 10.375 3.753 1.00 0.00 O ATOM 39 CB LEU A 6 -4.929 7.360 4.553 1.00 0.00 C ATOM 40 CG LEU A 6 -5.580 6.804 3.301 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.620 5.854 2.613 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.878 6.106 3.660 1.00 0.00 C ATOM 0 HA LEU A 6 -5.708 8.615 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.861 7.474 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.036 6.629 5.354 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.814 7.617 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.087 5.454 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.710 6.389 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.372 5.035 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.340 5.709 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.672 5.289 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.556 6.818 4.131 1.00 0.00 H new ATOM 54 N GLU A 7 -3.658 9.995 5.853 1.00 0.00 N ATOM 55 CA GLU A 7 -2.605 10.993 5.817 1.00 0.00 C ATOM 56 C GLU A 7 -1.724 10.915 7.058 1.00 0.00 C ATOM 57 O GLU A 7 -1.086 11.896 7.440 1.00 0.00 O ATOM 58 CB GLU A 7 -3.215 12.385 5.699 1.00 0.00 C ATOM 59 CG GLU A 7 -3.952 12.826 6.951 1.00 0.00 C ATOM 60 CD GLU A 7 -5.141 13.716 6.646 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.931 14.918 6.385 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.283 13.210 6.671 1.00 0.00 O ATOM 0 H GLU A 7 -3.730 9.494 6.739 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.979 10.794 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.425 13.103 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.905 12.402 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.292 11.946 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.262 13.359 7.605 1.00 0.00 H new ATOM 69 N THR A 8 -1.703 9.749 7.690 1.00 0.00 N ATOM 70 CA THR A 8 -0.915 9.551 8.887 1.00 0.00 C ATOM 71 C THR A 8 -0.346 8.136 8.952 1.00 0.00 C ATOM 72 O THR A 8 0.733 7.916 9.502 1.00 0.00 O ATOM 73 CB THR A 8 -1.784 9.821 10.105 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.979 9.062 10.046 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.169 11.277 10.245 1.00 0.00 C ATOM 0 H THR A 8 -2.226 8.927 7.388 1.00 0.00 H new ATOM 0 HA THR A 8 -0.074 10.244 8.869 1.00 0.00 H new ATOM 0 HB THR A 8 -1.180 9.535 10.966 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.524 9.248 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.789 11.406 11.132 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.269 11.884 10.340 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.728 11.592 9.364 1.00 0.00 H new ATOM 83 N TYR A 9 -1.080 7.178 8.395 1.00 0.00 N ATOM 84 CA TYR A 9 -0.648 5.787 8.398 1.00 0.00 C ATOM 85 C TYR A 9 0.838 5.671 8.125 1.00 0.00 C ATOM 86 O TYR A 9 1.335 6.157 7.109 1.00 0.00 O ATOM 87 CB TYR A 9 -1.433 4.988 7.363 1.00 0.00 C ATOM 88 CG TYR A 9 -2.911 5.002 7.651 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.460 4.087 8.535 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.750 5.948 7.069 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.804 4.104 8.833 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.099 5.972 7.367 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.621 5.049 8.249 1.00 0.00 C ATOM 94 OH TYR A 9 -6.964 5.071 8.548 1.00 0.00 O ATOM 0 H TYR A 9 -1.976 7.341 7.936 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.843 5.379 9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.252 5.401 6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.075 3.959 7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.823 3.348 8.998 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.342 6.671 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.216 3.381 9.521 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.742 6.710 6.911 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.350 5.923 8.255 1.00 0.00 H new ATOM 104 N GLU A 10 1.543 5.009 9.030 1.00 0.00 N ATOM 105 CA GLU A 10 2.972 4.817 8.874 1.00 0.00 C ATOM 106 C GLU A 10 3.287 4.472 7.427 1.00 0.00 C ATOM 107 O GLU A 10 4.417 4.634 6.967 1.00 0.00 O ATOM 108 CB GLU A 10 3.452 3.691 9.790 1.00 0.00 C ATOM 109 CG GLU A 10 4.533 2.821 9.171 1.00 0.00 C ATOM 110 CD GLU A 10 5.657 2.511 10.140 1.00 0.00 C ATOM 111 OE1 GLU A 10 6.381 3.450 10.530 1.00 0.00 O ATOM 112 OE2 GLU A 10 5.814 1.328 10.507 1.00 0.00 O ATOM 0 H GLU A 10 1.148 4.598 9.876 1.00 0.00 H new ATOM 0 HA GLU A 10 3.487 5.739 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.832 4.124 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.601 3.064 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.089 1.888 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.942 3.324 8.295 1.00 0.00 H new ATOM 119 N TRP A 11 2.279 3.969 6.721 1.00 0.00 N ATOM 120 CA TRP A 11 2.437 3.568 5.336 1.00 0.00 C ATOM 121 C TRP A 11 1.940 4.626 4.350 1.00 0.00 C ATOM 122 O TRP A 11 2.457 4.738 3.239 1.00 0.00 O ATOM 123 CB TRP A 11 1.662 2.283 5.119 1.00 0.00 C ATOM 124 CG TRP A 11 0.306 2.299 5.768 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.052 1.783 6.986 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.884 2.844 5.204 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.403 1.968 7.195 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.932 2.619 6.113 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.157 3.500 4.011 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.238 3.028 5.856 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.450 3.906 3.752 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.477 3.667 4.671 1.00 0.00 C ATOM 0 H TRP A 11 1.339 3.831 7.093 1.00 0.00 H new ATOM 0 HA TRP A 11 3.502 3.432 5.148 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.545 2.112 4.049 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.238 1.446 5.514 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.623 1.303 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.923 1.669 8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.369 3.690 3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.032 2.847 6.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.672 4.416 2.826 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.480 3.994 4.440 1.00 0.00 H new ATOM 143 N TYR A 12 0.917 5.375 4.732 1.00 0.00 N ATOM 144 CA TYR A 12 0.353 6.382 3.839 1.00 0.00 C ATOM 145 C TYR A 12 1.342 7.488 3.498 1.00 0.00 C ATOM 146 O TYR A 12 2.114 7.942 4.343 1.00 0.00 O ATOM 147 CB TYR A 12 -0.910 6.999 4.426 1.00 0.00 C ATOM 148 CG TYR A 12 -1.653 7.855 3.427 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.400 7.276 2.411 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.603 9.240 3.496 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.076 8.052 1.492 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.277 10.025 2.584 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.013 9.427 1.582 1.00 0.00 C ATOM 154 OH TYR A 12 -3.687 10.206 0.669 1.00 0.00 O ATOM 0 H TYR A 12 0.463 5.308 5.643 1.00 0.00 H new ATOM 0 HA TYR A 12 0.106 5.856 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.568 6.205 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.646 7.604 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.453 6.200 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.026 9.712 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.651 7.585 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.229 11.102 2.654 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.346 10.761 1.136 1.00 0.00 H new ATOM 164 N ASN A 13 1.286 7.920 2.243 1.00 0.00 N ATOM 165 CA ASN A 13 2.141 8.983 1.740 1.00 0.00 C ATOM 166 C ASN A 13 1.371 9.841 0.746 1.00 0.00 C ATOM 167 O ASN A 13 1.267 9.495 -0.430 1.00 0.00 O ATOM 168 CB ASN A 13 3.373 8.397 1.062 1.00 0.00 C ATOM 169 CG ASN A 13 4.656 8.795 1.757 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.222 7.865 2.507 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.129 9.923 1.621 1.00 0.00 N flip ATOM 0 H ASN A 13 0.645 7.541 1.547 1.00 0.00 H new ATOM 0 HA ASN A 13 2.460 9.600 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.293 7.310 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.406 8.729 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.655 10.607 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.995 10.174 2.098 1.00 0.00 H new ATOM 178 N LYS A 14 0.825 10.956 1.215 1.00 0.00 N ATOM 179 CA LYS A 14 0.066 11.839 0.344 1.00 0.00 C ATOM 180 C LYS A 14 0.975 12.473 -0.703 1.00 0.00 C ATOM 181 O LYS A 14 2.193 12.526 -0.533 1.00 0.00 O ATOM 182 CB LYS A 14 -0.638 12.928 1.147 1.00 0.00 C ATOM 183 CG LYS A 14 -2.134 12.706 1.289 1.00 0.00 C ATOM 184 CD LYS A 14 -2.924 13.640 0.387 1.00 0.00 C ATOM 185 CE LYS A 14 -4.215 14.093 1.050 1.00 0.00 C ATOM 186 NZ LYS A 14 -5.414 13.686 0.267 1.00 0.00 N ATOM 0 H LYS A 14 0.893 11.267 2.184 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.690 11.237 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.191 12.982 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.466 13.891 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.374 11.672 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.429 12.864 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.316 14.510 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.153 13.134 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.276 13.670 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.205 15.177 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.273 14.014 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.369 14.110 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.438 12.650 0.182 1.00 0.00 H new ATOM 200 N SER A 15 0.374 12.954 -1.782 1.00 0.00 N ATOM 201 CA SER A 15 1.122 13.590 -2.865 1.00 0.00 C ATOM 202 C SER A 15 2.260 12.701 -3.374 1.00 0.00 C ATOM 203 O SER A 15 2.886 13.007 -4.389 1.00 0.00 O ATOM 204 CB SER A 15 1.687 14.933 -2.396 1.00 0.00 C ATOM 205 OG SER A 15 1.104 16.009 -3.110 1.00 0.00 O ATOM 0 H SER A 15 -0.634 12.917 -1.934 1.00 0.00 H new ATOM 0 HA SER A 15 0.428 13.750 -3.691 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.500 15.057 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.768 14.944 -2.534 1.00 0.00 H new ATOM 0 HG SER A 15 1.480 16.856 -2.791 1.00 0.00 H new ATOM 211 N ILE A 16 2.532 11.609 -2.664 1.00 0.00 N ATOM 212 CA ILE A 16 3.598 10.692 -3.039 1.00 0.00 C ATOM 213 C ILE A 16 3.368 10.059 -4.404 1.00 0.00 C ATOM 214 O ILE A 16 2.248 10.026 -4.913 1.00 0.00 O ATOM 215 CB ILE A 16 3.737 9.567 -2.005 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.068 9.669 -1.287 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.614 8.206 -2.669 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.668 8.314 -0.995 1.00 0.00 C ATOM 0 H ILE A 16 2.024 11.339 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 16 4.509 11.288 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 16 2.932 9.676 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.763 10.248 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.933 10.213 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.716 7.424 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.639 8.123 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.399 8.094 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.620 8.441 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.987 7.743 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.830 7.779 -1.931 1.00 0.00 H new ATOM 230 N SER A 17 4.449 9.540 -4.976 1.00 0.00 N ATOM 231 CA SER A 17 4.400 8.879 -6.271 1.00 0.00 C ATOM 232 C SER A 17 4.992 7.477 -6.170 1.00 0.00 C ATOM 233 O SER A 17 5.338 7.019 -5.080 1.00 0.00 O ATOM 234 CB SER A 17 5.163 9.698 -7.307 1.00 0.00 C ATOM 235 OG SER A 17 4.420 9.822 -8.508 1.00 0.00 O ATOM 0 H SER A 17 5.378 9.566 -4.556 1.00 0.00 H new ATOM 0 HA SER A 17 3.359 8.798 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.379 10.688 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.122 9.223 -7.516 1.00 0.00 H new ATOM 0 HG SER A 17 5.029 9.787 -9.275 1.00 0.00 H new ATOM 241 N ARG A 18 5.113 6.802 -7.304 1.00 0.00 N ATOM 242 CA ARG A 18 5.671 5.456 -7.332 1.00 0.00 C ATOM 243 C ARG A 18 7.185 5.494 -7.135 1.00 0.00 C ATOM 244 O ARG A 18 7.767 4.590 -6.534 1.00 0.00 O ATOM 245 CB ARG A 18 5.334 4.768 -8.655 1.00 0.00 C ATOM 246 CG ARG A 18 6.502 4.712 -9.628 1.00 0.00 C ATOM 247 CD ARG A 18 7.131 3.329 -9.663 1.00 0.00 C ATOM 248 NE ARG A 18 7.871 3.097 -10.900 1.00 0.00 N ATOM 249 CZ ARG A 18 8.584 2.000 -11.136 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.651 1.041 -10.223 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.229 1.861 -12.285 1.00 0.00 N ATOM 0 H ARG A 18 4.833 7.163 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 18 5.228 4.887 -6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.994 3.753 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.504 5.294 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.158 4.982 -10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.253 5.447 -9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.802 3.214 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.352 2.574 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 18 7.839 3.816 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.155 1.144 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.199 0.200 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.179 2.596 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.776 1.019 -12.464 1.00 0.00 H new ATOM 265 N ASP A 19 7.815 6.542 -7.652 1.00 0.00 N ATOM 266 CA ASP A 19 9.262 6.697 -7.544 1.00 0.00 C ATOM 267 C ASP A 19 9.684 7.078 -6.127 1.00 0.00 C ATOM 268 O ASP A 19 10.679 6.568 -5.611 1.00 0.00 O ATOM 269 CB ASP A 19 9.750 7.760 -8.530 1.00 0.00 C ATOM 270 CG ASP A 19 11.105 7.421 -9.119 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.144 6.740 -10.166 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.129 7.836 -8.535 1.00 0.00 O ATOM 0 H ASP A 19 7.347 7.298 -8.151 1.00 0.00 H new ATOM 0 HA ASP A 19 9.716 5.736 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.023 7.866 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.808 8.723 -8.023 1.00 0.00 H new ATOM 277 N LYS A 20 8.937 7.985 -5.506 1.00 0.00 N ATOM 278 CA LYS A 20 9.252 8.439 -4.157 1.00 0.00 C ATOM 279 C LYS A 20 9.135 7.308 -3.142 1.00 0.00 C ATOM 280 O LYS A 20 10.051 7.076 -2.348 1.00 0.00 O ATOM 281 CB LYS A 20 8.332 9.591 -3.754 1.00 0.00 C ATOM 282 CG LYS A 20 8.282 10.714 -4.776 1.00 0.00 C ATOM 283 CD LYS A 20 7.205 10.467 -5.818 1.00 0.00 C ATOM 284 CE LYS A 20 7.748 10.629 -7.229 1.00 0.00 C ATOM 285 NZ LYS A 20 6.901 11.539 -8.049 1.00 0.00 N ATOM 0 H LYS A 20 8.110 8.420 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 20 10.286 8.785 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.324 9.204 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.666 9.995 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.091 11.660 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.251 10.805 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.802 9.462 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.380 11.162 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.764 11.021 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.804 9.653 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.340 10.979 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.262 12.073 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.509 12.202 -8.572 1.00 0.00 H new ATOM 299 N ALA A 21 8.005 6.609 -3.154 1.00 0.00 N ATOM 300 CA ALA A 21 7.797 5.521 -2.212 1.00 0.00 C ATOM 301 C ALA A 21 8.896 4.463 -2.337 1.00 0.00 C ATOM 302 O ALA A 21 9.453 4.007 -1.336 1.00 0.00 O ATOM 303 CB ALA A 21 6.416 4.907 -2.374 1.00 0.00 C ATOM 0 H ALA A 21 7.230 6.775 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 21 7.854 5.938 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.292 4.097 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.656 5.668 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.308 4.515 -3.385 1.00 0.00 H new ATOM 309 N GLU A 22 9.238 4.088 -3.561 1.00 0.00 N ATOM 310 CA GLU A 22 10.297 3.112 -3.760 1.00 0.00 C ATOM 311 C GLU A 22 11.573 3.620 -3.098 1.00 0.00 C ATOM 312 O GLU A 22 12.256 2.891 -2.375 1.00 0.00 O ATOM 313 CB GLU A 22 10.534 2.869 -5.253 1.00 0.00 C ATOM 314 CG GLU A 22 9.326 2.295 -5.974 1.00 0.00 C ATOM 315 CD GLU A 22 9.623 0.970 -6.647 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.815 0.617 -6.762 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.663 0.285 -7.060 1.00 0.00 O ATOM 0 H GLU A 22 8.806 4.438 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 22 10.002 2.165 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.816 3.810 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.376 2.187 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.512 2.162 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.981 3.009 -6.722 1.00 0.00 H new ATOM 324 N LYS A 23 11.868 4.896 -3.341 1.00 0.00 N ATOM 325 CA LYS A 23 13.042 5.538 -2.768 1.00 0.00 C ATOM 326 C LYS A 23 12.923 5.624 -1.252 1.00 0.00 C ATOM 327 O LYS A 23 13.843 5.248 -0.527 1.00 0.00 O ATOM 328 CB LYS A 23 13.216 6.940 -3.351 1.00 0.00 C ATOM 329 CG LYS A 23 12.690 8.042 -2.444 1.00 0.00 C ATOM 330 CD LYS A 23 12.457 9.333 -3.214 1.00 0.00 C ATOM 331 CE LYS A 23 11.253 10.090 -2.677 1.00 0.00 C ATOM 332 NZ LYS A 23 11.654 11.312 -1.927 1.00 0.00 N ATOM 0 H LYS A 23 11.305 5.505 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 23 13.915 4.935 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.274 7.115 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.701 6.993 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.757 7.720 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.401 8.221 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.344 9.963 -3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.305 9.107 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.601 10.370 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.675 9.436 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.804 11.799 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.255 11.044 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.183 11.948 -2.557 1.00 0.00 H new ATOM 346 N LEU A 24 11.781 6.118 -0.774 1.00 0.00 N ATOM 347 CA LEU A 24 11.560 6.242 0.660 1.00 0.00 C ATOM 348 C LEU A 24 11.517 4.861 1.307 1.00 0.00 C ATOM 349 O LEU A 24 11.969 4.682 2.437 1.00 0.00 O ATOM 350 CB LEU A 24 10.269 7.016 0.948 1.00 0.00 C ATOM 351 CG LEU A 24 9.077 6.162 1.376 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.730 5.172 0.282 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.381 5.440 2.680 1.00 0.00 C ATOM 0 H LEU A 24 11.004 6.435 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 24 12.390 6.802 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.470 7.747 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.992 7.574 0.054 1.00 0.00 H new ATOM 0 HG LEU A 24 8.218 6.812 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.879 4.567 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.475 5.712 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.586 4.524 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.521 4.836 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.249 4.794 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.591 6.171 3.460 1.00 0.00 H new ATOM 365 N LEU A 25 10.987 3.883 0.575 1.00 0.00 N ATOM 366 CA LEU A 25 10.910 2.517 1.080 1.00 0.00 C ATOM 367 C LEU A 25 12.281 1.855 1.027 1.00 0.00 C ATOM 368 O LEU A 25 12.745 1.282 2.011 1.00 0.00 O ATOM 369 CB LEU A 25 9.920 1.688 0.260 1.00 0.00 C ATOM 370 CG LEU A 25 8.440 1.961 0.537 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.698 2.213 -0.765 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.813 0.798 1.292 1.00 0.00 C ATOM 0 H LEU A 25 10.607 4.011 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 25 10.566 2.562 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.112 1.867 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.117 0.632 0.445 1.00 0.00 H new ATOM 0 HG LEU A 25 8.363 2.853 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.646 2.406 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.131 3.077 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.784 1.337 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.761 1.011 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.899 -0.111 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.330 0.660 2.242 1.00 0.00 H new ATOM 384 N LEU A 26 12.921 1.937 -0.137 1.00 0.00 N ATOM 385 CA LEU A 26 14.238 1.343 -0.326 1.00 0.00 C ATOM 386 C LEU A 26 15.268 1.969 0.610 1.00 0.00 C ATOM 387 O LEU A 26 16.277 1.349 0.943 1.00 0.00 O ATOM 388 CB LEU A 26 14.686 1.512 -1.778 1.00 0.00 C ATOM 389 CG LEU A 26 15.651 0.442 -2.284 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.946 -0.499 -3.249 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.858 1.088 -2.948 1.00 0.00 C ATOM 0 H LEU A 26 12.548 2.409 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 26 14.165 0.281 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.803 1.515 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.160 2.488 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 26 15.999 -0.142 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.649 -1.255 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.114 -0.986 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.569 0.068 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.536 0.312 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.528 1.695 -3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.376 1.720 -2.226 1.00 0.00 H new ATOM 403 N ASP A 27 15.008 3.204 1.025 1.00 0.00 N ATOM 404 CA ASP A 27 15.917 3.919 1.916 1.00 0.00 C ATOM 405 C ASP A 27 15.768 3.448 3.361 1.00 0.00 C ATOM 406 O ASP A 27 16.691 3.588 4.164 1.00 0.00 O ATOM 407 CB ASP A 27 15.663 5.425 1.832 1.00 0.00 C ATOM 408 CG ASP A 27 16.683 6.228 2.615 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.611 6.223 3.862 1.00 0.00 O ATOM 410 OD2 ASP A 27 17.553 6.860 1.982 1.00 0.00 O ATOM 0 H ASP A 27 14.176 3.731 0.759 1.00 0.00 H new ATOM 0 HA ASP A 27 16.936 3.705 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.684 5.736 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.664 5.644 2.210 1.00 0.00 H new ATOM 415 N THR A 28 14.603 2.898 3.691 1.00 0.00 N ATOM 416 CA THR A 28 14.346 2.420 5.046 1.00 0.00 C ATOM 417 C THR A 28 14.874 1.000 5.243 1.00 0.00 C ATOM 418 O THR A 28 15.586 0.724 6.207 1.00 0.00 O ATOM 419 CB THR A 28 12.846 2.477 5.355 1.00 0.00 C ATOM 420 OG1 THR A 28 12.627 2.837 6.706 1.00 0.00 O ATOM 421 CG2 THR A 28 12.125 1.168 5.109 1.00 0.00 C ATOM 0 H THR A 28 13.826 2.773 3.043 1.00 0.00 H new ATOM 0 HA THR A 28 14.876 3.074 5.738 1.00 0.00 H new ATOM 0 HB THR A 28 12.444 3.225 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.664 2.870 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.068 1.284 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.230 0.886 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.557 0.391 5.739 1.00 0.00 H new ATOM 429 N GLY A 29 14.518 0.104 4.329 1.00 0.00 N ATOM 430 CA GLY A 29 14.967 -1.276 4.428 1.00 0.00 C ATOM 431 C GLY A 29 13.851 -2.211 4.850 1.00 0.00 C ATOM 432 O GLY A 29 13.653 -3.268 4.251 1.00 0.00 O ATOM 0 H GLY A 29 13.928 0.306 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.364 -1.597 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.784 -1.340 5.147 1.00 0.00 H new ATOM 436 N LYS A 30 13.119 -1.810 5.883 1.00 0.00 N ATOM 437 CA LYS A 30 12.004 -2.596 6.401 1.00 0.00 C ATOM 438 C LYS A 30 11.679 -3.799 5.527 1.00 0.00 C ATOM 439 O LYS A 30 11.560 -3.681 4.307 1.00 0.00 O ATOM 440 CB LYS A 30 10.757 -1.726 6.508 1.00 0.00 C ATOM 441 CG LYS A 30 10.723 -0.858 7.747 1.00 0.00 C ATOM 442 CD LYS A 30 12.046 -0.151 7.978 1.00 0.00 C ATOM 443 CE LYS A 30 12.011 0.683 9.248 1.00 0.00 C ATOM 444 NZ LYS A 30 11.657 -0.136 10.440 1.00 0.00 N ATOM 0 H LYS A 30 13.280 -0.936 6.383 1.00 0.00 H new ATOM 0 HA LYS A 30 12.309 -2.960 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.694 -1.088 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.876 -2.368 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.928 -0.119 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.483 -1.473 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.847 -0.887 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.272 0.490 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.984 1.149 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.286 1.489 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.039 0.314 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.622 -0.207 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.062 -1.088 10.340 1.00 0.00 H new ATOM 458 N GLU A 31 11.483 -4.948 6.165 1.00 0.00 N ATOM 459 CA GLU A 31 11.112 -6.158 5.450 1.00 0.00 C ATOM 460 C GLU A 31 9.606 -6.143 5.227 1.00 0.00 C ATOM 461 O GLU A 31 8.830 -6.280 6.174 1.00 0.00 O ATOM 462 CB GLU A 31 11.522 -7.402 6.242 1.00 0.00 C ATOM 463 CG GLU A 31 11.605 -8.661 5.394 1.00 0.00 C ATOM 464 CD GLU A 31 12.346 -9.786 6.092 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.083 -10.014 7.292 1.00 0.00 O ATOM 466 OE2 GLU A 31 13.188 -10.437 5.439 1.00 0.00 O ATOM 0 H GLU A 31 11.575 -5.064 7.174 1.00 0.00 H new ATOM 0 HA GLU A 31 11.630 -6.191 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.491 -7.223 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.805 -7.563 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.597 -8.994 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.106 -8.429 4.454 1.00 0.00 H new ATOM 473 N GLY A 32 9.195 -5.936 3.985 1.00 0.00 N ATOM 474 CA GLY A 32 7.782 -5.862 3.683 1.00 0.00 C ATOM 475 C GLY A 32 7.227 -4.494 4.025 1.00 0.00 C ATOM 476 O GLY A 32 6.074 -4.366 4.439 1.00 0.00 O ATOM 0 H GLY A 32 9.814 -5.818 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.621 -6.070 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.246 -6.627 4.244 1.00 0.00 H new ATOM 480 N ALA A 33 8.060 -3.467 3.853 1.00 0.00 N ATOM 481 CA ALA A 33 7.664 -2.102 4.144 1.00 0.00 C ATOM 482 C ALA A 33 6.429 -1.737 3.350 1.00 0.00 C ATOM 483 O ALA A 33 6.317 -2.065 2.166 1.00 0.00 O ATOM 484 CB ALA A 33 8.800 -1.140 3.854 1.00 0.00 C ATOM 0 H ALA A 33 9.016 -3.563 3.512 1.00 0.00 H new ATOM 0 HA ALA A 33 7.426 -2.026 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.481 -0.122 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.660 -1.396 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.076 -1.209 2.802 1.00 0.00 H new ATOM 490 N PHE A 34 5.490 -1.086 4.014 1.00 0.00 N ATOM 491 CA PHE A 34 4.242 -0.713 3.377 1.00 0.00 C ATOM 492 C PHE A 34 3.993 0.786 3.382 1.00 0.00 C ATOM 493 O PHE A 34 4.126 1.452 4.403 1.00 0.00 O ATOM 494 CB PHE A 34 3.088 -1.397 4.075 1.00 0.00 C ATOM 495 CG PHE A 34 1.795 -0.684 3.830 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.383 -0.428 2.539 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.001 -0.259 4.871 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.203 0.240 2.290 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.168 0.403 4.629 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.573 0.659 3.341 1.00 0.00 C ATOM 0 H PHE A 34 5.569 -0.806 4.992 1.00 0.00 H new ATOM 0 HA PHE A 34 4.318 -1.031 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.009 -2.426 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.284 -1.439 5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.994 -0.756 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.306 -0.451 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.109 0.432 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.780 0.728 5.457 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.497 1.187 3.157 1.00 0.00 H new ATOM 510 N MET A 35 3.591 1.301 2.233 1.00 0.00 N ATOM 511 CA MET A 35 3.280 2.712 2.102 1.00 0.00 C ATOM 512 C MET A 35 2.048 2.895 1.235 1.00 0.00 C ATOM 513 O MET A 35 1.620 1.965 0.554 1.00 0.00 O ATOM 514 CB MET A 35 4.459 3.472 1.504 1.00 0.00 C ATOM 515 CG MET A 35 4.206 4.956 1.333 1.00 0.00 C ATOM 516 SD MET A 35 5.688 5.845 0.848 1.00 0.00 S ATOM 517 CE MET A 35 6.559 5.816 2.408 1.00 0.00 C ATOM 0 H MET A 35 3.472 0.761 1.376 1.00 0.00 H new ATOM 0 HA MET A 35 3.080 3.114 3.095 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.331 3.333 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.703 3.040 0.533 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.432 5.106 0.581 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.827 5.368 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.254 6.655 2.452 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.843 5.894 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.112 4.881 2.498 1.00 0.00 H new ATOM 527 N VAL A 36 1.484 4.090 1.252 1.00 0.00 N ATOM 528 CA VAL A 36 0.301 4.371 0.446 1.00 0.00 C ATOM 529 C VAL A 36 0.320 5.783 -0.109 1.00 0.00 C ATOM 530 O VAL A 36 0.895 6.690 0.486 1.00 0.00 O ATOM 531 CB VAL A 36 -1.006 4.148 1.224 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.204 4.567 0.387 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.121 2.692 1.633 1.00 0.00 C ATOM 0 H VAL A 36 1.819 4.877 1.808 1.00 0.00 H new ATOM 0 HA VAL A 36 0.333 3.663 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.990 4.764 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.120 4.402 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.119 5.624 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.233 3.976 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.049 2.541 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.121 2.063 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.275 2.424 2.267 1.00 0.00 H new ATOM 543 N ARG A 37 -0.301 5.954 -1.269 1.00 0.00 N ATOM 544 CA ARG A 37 -0.342 7.250 -1.918 1.00 0.00 C ATOM 545 C ARG A 37 -1.617 7.425 -2.740 1.00 0.00 C ATOM 546 O ARG A 37 -2.000 6.543 -3.508 1.00 0.00 O ATOM 547 CB ARG A 37 0.894 7.404 -2.797 1.00 0.00 C ATOM 548 CG ARG A 37 0.613 7.299 -4.283 1.00 0.00 C ATOM 549 CD ARG A 37 1.717 6.528 -4.985 1.00 0.00 C ATOM 550 NE ARG A 37 1.537 6.505 -6.436 1.00 0.00 N ATOM 551 CZ ARG A 37 1.384 7.594 -7.184 1.00 0.00 C ATOM 552 NH1 ARG A 37 1.425 8.798 -6.631 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.202 7.479 -8.492 1.00 0.00 N ATOM 0 H ARG A 37 -0.781 5.210 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.347 8.027 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.354 8.371 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.621 6.640 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.343 6.801 -4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.529 8.297 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.681 6.979 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.741 5.506 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 37 1.528 5.598 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.575 8.893 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.307 9.629 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.179 6.556 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.085 8.314 -9.066 1.00 0.00 H new ATOM 567 N ASP A 38 -2.271 8.571 -2.568 1.00 0.00 N ATOM 568 CA ASP A 38 -3.506 8.867 -3.288 1.00 0.00 C ATOM 569 C ASP A 38 -3.259 8.971 -4.790 1.00 0.00 C ATOM 570 O ASP A 38 -2.186 9.387 -5.226 1.00 0.00 O ATOM 571 CB ASP A 38 -4.121 10.168 -2.770 1.00 0.00 C ATOM 572 CG ASP A 38 -5.463 10.467 -3.408 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.483 11.125 -4.469 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.496 10.043 -2.847 1.00 0.00 O ATOM 0 H ASP A 38 -1.966 9.311 -1.935 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.201 8.046 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.242 10.104 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.437 10.993 -2.966 1.00 0.00 H new ATOM 579 N SER A 39 -4.262 8.589 -5.575 1.00 0.00 N ATOM 580 CA SER A 39 -4.159 8.637 -7.028 1.00 0.00 C ATOM 581 C SER A 39 -5.259 9.511 -7.628 1.00 0.00 C ATOM 582 O SER A 39 -6.186 9.925 -6.931 1.00 0.00 O ATOM 583 CB SER A 39 -4.243 7.225 -7.610 1.00 0.00 C ATOM 584 OG SER A 39 -2.971 6.600 -7.617 1.00 0.00 O ATOM 0 H SER A 39 -5.156 8.242 -5.228 1.00 0.00 H new ATOM 0 HA SER A 39 -3.194 9.075 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.942 6.628 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.635 7.270 -8.626 1.00 0.00 H new ATOM 0 HG SER A 39 -2.904 6.004 -8.392 1.00 0.00 H new ATOM 590 N ARG A 40 -5.150 9.784 -8.925 1.00 0.00 N ATOM 591 CA ARG A 40 -6.135 10.607 -9.622 1.00 0.00 C ATOM 592 C ARG A 40 -7.056 9.740 -10.477 1.00 0.00 C ATOM 593 O ARG A 40 -7.114 9.891 -11.697 1.00 0.00 O ATOM 594 CB ARG A 40 -5.435 11.647 -10.499 1.00 0.00 C ATOM 595 CG ARG A 40 -4.963 12.871 -9.732 1.00 0.00 C ATOM 596 CD ARG A 40 -5.986 13.306 -8.695 1.00 0.00 C ATOM 597 NE ARG A 40 -5.556 14.498 -7.969 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.969 15.727 -8.261 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.819 15.923 -9.259 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.533 16.760 -7.554 1.00 0.00 N ATOM 0 H ARG A 40 -4.389 9.447 -9.515 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.738 11.122 -8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.578 11.182 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.118 11.964 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.016 12.651 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.778 13.689 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.938 13.505 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.155 12.493 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.902 14.381 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.157 15.130 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.135 16.867 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.880 16.612 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.851 17.703 -7.779 1.00 0.00 H new ATOM 614 N THR A 41 -7.767 8.828 -9.824 1.00 0.00 N ATOM 615 CA THR A 41 -8.682 7.924 -10.511 1.00 0.00 C ATOM 616 C THR A 41 -9.980 7.772 -9.710 1.00 0.00 C ATOM 617 O THR A 41 -10.301 8.632 -8.890 1.00 0.00 O ATOM 618 CB THR A 41 -7.988 6.578 -10.720 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.482 5.922 -11.874 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.131 5.638 -9.544 1.00 0.00 C ATOM 0 H THR A 41 -7.727 8.695 -8.814 1.00 0.00 H new ATOM 0 HA THR A 41 -8.949 8.333 -11.485 1.00 0.00 H new ATOM 0 HB THR A 41 -6.931 6.819 -10.837 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.104 5.019 -11.924 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.615 4.703 -9.761 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.694 6.096 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.187 5.436 -9.366 1.00 0.00 H new ATOM 628 N PRO A 42 -10.755 6.689 -9.928 1.00 0.00 N ATOM 629 CA PRO A 42 -12.016 6.465 -9.214 1.00 0.00 C ATOM 630 C PRO A 42 -11.960 6.880 -7.742 1.00 0.00 C ATOM 631 O PRO A 42 -12.987 6.928 -7.066 1.00 0.00 O ATOM 632 CB PRO A 42 -12.209 4.961 -9.351 1.00 0.00 C ATOM 633 CG PRO A 42 -11.640 4.650 -10.693 1.00 0.00 C ATOM 634 CD PRO A 42 -10.484 5.600 -10.890 1.00 0.00 C ATOM 0 HA PRO A 42 -12.831 7.062 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.691 4.418 -8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.262 4.686 -9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.305 3.614 -10.743 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.389 4.781 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.529 5.115 -10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.442 5.972 -11.914 1.00 0.00 H new ATOM 642 N GLY A 43 -10.763 7.188 -7.254 1.00 0.00 N ATOM 643 CA GLY A 43 -10.610 7.604 -5.871 1.00 0.00 C ATOM 644 C GLY A 43 -9.842 6.604 -5.037 1.00 0.00 C ATOM 645 O GLY A 43 -9.872 6.653 -3.808 1.00 0.00 O ATOM 0 H GLY A 43 -9.896 7.157 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.097 8.565 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.596 7.755 -5.431 1.00 0.00 H new ATOM 649 N THR A 44 -9.149 5.703 -5.710 1.00 0.00 N ATOM 650 CA THR A 44 -8.356 4.684 -5.038 1.00 0.00 C ATOM 651 C THR A 44 -7.091 5.281 -4.442 1.00 0.00 C ATOM 652 O THR A 44 -6.711 6.408 -4.756 1.00 0.00 O ATOM 653 CB THR A 44 -7.953 3.600 -6.031 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.636 3.146 -5.769 1.00 0.00 O ATOM 655 CG2 THR A 44 -7.994 4.070 -7.466 1.00 0.00 C ATOM 0 H THR A 44 -9.118 5.655 -6.728 1.00 0.00 H new ATOM 0 HA THR A 44 -8.966 4.262 -4.240 1.00 0.00 H new ATOM 0 HB THR A 44 -8.681 2.799 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.004 3.884 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.697 3.254 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.006 4.388 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.308 4.908 -7.594 1.00 0.00 H new ATOM 663 N TYR A 45 -6.426 4.497 -3.606 1.00 0.00 N ATOM 664 CA TYR A 45 -5.180 4.921 -2.992 1.00 0.00 C ATOM 665 C TYR A 45 -4.050 4.007 -3.438 1.00 0.00 C ATOM 666 O TYR A 45 -4.286 2.878 -3.873 1.00 0.00 O ATOM 667 CB TYR A 45 -5.285 4.909 -1.471 1.00 0.00 C ATOM 668 CG TYR A 45 -6.397 5.772 -0.935 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.720 5.432 -1.159 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.124 6.920 -0.206 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.749 6.212 -0.673 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.146 7.709 0.287 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.458 7.351 0.051 1.00 0.00 C ATOM 674 OH TYR A 45 -9.480 8.133 0.539 1.00 0.00 O ATOM 0 H TYR A 45 -6.731 3.561 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.972 5.942 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.438 3.884 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.339 5.246 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.951 4.541 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.098 7.201 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.776 5.933 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.919 8.600 0.853 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.104 8.896 1.026 1.00 0.00 H new ATOM 684 N THR A 46 -2.825 4.490 -3.327 1.00 0.00 N ATOM 685 CA THR A 46 -1.669 3.700 -3.717 1.00 0.00 C ATOM 686 C THR A 46 -0.994 3.112 -2.487 1.00 0.00 C ATOM 687 O THR A 46 -0.975 3.738 -1.432 1.00 0.00 O ATOM 688 CB THR A 46 -0.672 4.550 -4.503 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.342 5.358 -5.454 1.00 0.00 O ATOM 690 CG2 THR A 46 0.356 3.722 -5.242 1.00 0.00 C ATOM 0 H THR A 46 -2.605 5.421 -2.972 1.00 0.00 H new ATOM 0 HA THR A 46 -2.012 2.887 -4.358 1.00 0.00 H new ATOM 0 HB THR A 46 -0.159 5.163 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.709 4.791 -6.164 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.036 4.382 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.922 3.123 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.148 3.063 -5.950 1.00 0.00 H new ATOM 698 N VAL A 47 -0.444 1.910 -2.622 1.00 0.00 N ATOM 699 CA VAL A 47 0.227 1.257 -1.506 1.00 0.00 C ATOM 700 C VAL A 47 1.631 0.808 -1.882 1.00 0.00 C ATOM 701 O VAL A 47 1.802 -0.143 -2.641 1.00 0.00 O ATOM 702 CB VAL A 47 -0.542 0.024 -1.007 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.370 -0.833 -0.140 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.793 0.431 -0.248 1.00 0.00 C ATOM 0 H VAL A 47 -0.450 1.371 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 47 0.271 2.004 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.861 -0.563 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.178 -1.707 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.230 -1.157 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.712 -0.250 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.318 -0.461 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.515 1.040 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.446 1.007 -0.904 1.00 0.00 H new ATOM 714 N SER A 48 2.636 1.470 -1.328 1.00 0.00 N ATOM 715 CA SER A 48 4.016 1.092 -1.603 1.00 0.00 C ATOM 716 C SER A 48 4.441 -0.027 -0.661 1.00 0.00 C ATOM 717 O SER A 48 4.616 0.191 0.539 1.00 0.00 O ATOM 718 CB SER A 48 4.978 2.277 -1.447 1.00 0.00 C ATOM 719 OG SER A 48 5.807 2.410 -2.589 1.00 0.00 O ATOM 0 H SER A 48 2.526 2.261 -0.694 1.00 0.00 H new ATOM 0 HA SER A 48 4.063 0.754 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.409 3.195 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.595 2.135 -0.560 1.00 0.00 H new ATOM 0 HG SER A 48 6.006 1.522 -2.954 1.00 0.00 H new ATOM 725 N VAL A 49 4.611 -1.220 -1.212 1.00 0.00 N ATOM 726 CA VAL A 49 5.027 -2.373 -0.426 1.00 0.00 C ATOM 727 C VAL A 49 6.411 -2.821 -0.872 1.00 0.00 C ATOM 728 O VAL A 49 6.589 -3.265 -2.006 1.00 0.00 O ATOM 729 CB VAL A 49 4.036 -3.542 -0.571 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.727 -3.226 0.138 1.00 0.00 C ATOM 731 CG2 VAL A 49 3.791 -3.851 -2.039 1.00 0.00 C ATOM 0 H VAL A 49 4.467 -1.415 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 49 5.049 -2.077 0.623 1.00 0.00 H new ATOM 0 HB VAL A 49 4.472 -4.424 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.040 -4.064 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.919 -3.056 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.283 -2.331 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.088 -4.680 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.376 -2.972 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.733 -4.124 -2.516 1.00 0.00 H new ATOM 741 N PHE A 50 7.396 -2.673 0.006 1.00 0.00 N ATOM 742 CA PHE A 50 8.762 -3.038 -0.343 1.00 0.00 C ATOM 743 C PHE A 50 9.408 -3.948 0.701 1.00 0.00 C ATOM 744 O PHE A 50 9.165 -3.822 1.907 1.00 0.00 O ATOM 745 CB PHE A 50 9.593 -1.771 -0.552 1.00 0.00 C ATOM 746 CG PHE A 50 10.731 -1.611 0.408 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.524 -1.043 1.652 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.009 -2.015 0.062 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.571 -0.878 2.534 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.060 -1.854 0.941 1.00 0.00 C ATOM 751 CZ PHE A 50 12.840 -1.284 2.177 1.00 0.00 C ATOM 0 H PHE A 50 7.277 -2.308 0.951 1.00 0.00 H new ATOM 0 HA PHE A 50 8.729 -3.609 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.988 -1.774 -1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.938 -0.904 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.532 -0.725 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.185 -2.461 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.398 -0.432 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.053 -2.174 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.662 -1.155 2.866 1.00 0.00 H new ATOM 761 N THR A 51 10.228 -4.875 0.206 1.00 0.00 N ATOM 762 CA THR A 51 10.924 -5.838 1.051 1.00 0.00 C ATOM 763 C THR A 51 12.304 -6.150 0.502 1.00 0.00 C ATOM 764 O THR A 51 12.436 -6.923 -0.447 1.00 0.00 O ATOM 765 CB THR A 51 10.134 -7.140 1.111 1.00 0.00 C ATOM 766 OG1 THR A 51 9.140 -7.093 2.118 1.00 0.00 O ATOM 767 CG2 THR A 51 11.004 -8.349 1.369 1.00 0.00 C ATOM 0 H THR A 51 10.426 -4.977 -0.789 1.00 0.00 H new ATOM 0 HA THR A 51 11.019 -5.398 2.044 1.00 0.00 H new ATOM 0 HB THR A 51 9.676 -7.242 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.403 -7.671 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.383 -9.244 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.739 -8.445 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.518 -8.230 2.323 1.00 0.00 H new ATOM 775 N LYS A 52 13.335 -5.571 1.096 1.00 0.00 N ATOM 776 CA LYS A 52 14.682 -5.834 0.640 1.00 0.00 C ATOM 777 C LYS A 52 14.761 -7.230 0.029 1.00 0.00 C ATOM 778 O LYS A 52 14.737 -8.239 0.734 1.00 0.00 O ATOM 779 CB LYS A 52 15.675 -5.708 1.797 1.00 0.00 C ATOM 780 CG LYS A 52 15.568 -4.393 2.550 1.00 0.00 C ATOM 781 CD LYS A 52 16.100 -4.517 3.969 1.00 0.00 C ATOM 782 CE LYS A 52 17.229 -3.532 4.228 1.00 0.00 C ATOM 783 NZ LYS A 52 17.093 -2.867 5.553 1.00 0.00 N ATOM 0 H LYS A 52 13.264 -4.926 1.883 1.00 0.00 H new ATOM 0 HA LYS A 52 14.943 -5.097 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.514 -6.530 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.688 -5.813 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.125 -3.622 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.527 -4.072 2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.292 -4.341 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.456 -5.533 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.184 -4.054 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.239 -2.777 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.268 -1.847 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.132 -3.018 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.785 -3.271 6.217 1.00 0.00 H new ATOM 797 N ALA A 53 14.860 -7.263 -1.295 1.00 0.00 N ATOM 798 CA ALA A 53 14.950 -8.514 -2.030 1.00 0.00 C ATOM 799 C ALA A 53 15.202 -8.269 -3.514 1.00 0.00 C ATOM 800 O ALA A 53 14.846 -7.220 -4.050 1.00 0.00 O ATOM 801 CB ALA A 53 13.678 -9.325 -1.834 1.00 0.00 C ATOM 0 H ALA A 53 14.880 -6.430 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 53 15.797 -9.078 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.754 -10.261 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.544 -9.541 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.823 -8.755 -2.199 1.00 0.00 H new ATOM 899 N CYS A 60 13.189 -4.425 -2.656 1.00 0.00 N ATOM 900 CA CYS A 60 12.000 -4.504 -3.501 1.00 0.00 C ATOM 901 C CYS A 60 10.926 -3.533 -3.053 1.00 0.00 C ATOM 902 O CYS A 60 10.571 -3.490 -1.876 1.00 0.00 O ATOM 903 CB CYS A 60 11.412 -5.913 -3.475 1.00 0.00 C ATOM 904 SG CYS A 60 9.806 -6.029 -2.652 1.00 0.00 S ATOM 0 HA CYS A 60 12.317 -4.246 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.310 -6.271 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.114 -6.579 -2.973 1.00 0.00 H new ATOM 0 HG CYS A 60 9.391 -7.260 -2.683 1.00 0.00 H new ATOM 910 N ILE A 61 10.379 -2.788 -4.003 1.00 0.00 N ATOM 911 CA ILE A 61 9.309 -1.858 -3.697 1.00 0.00 C ATOM 912 C ILE A 61 8.196 -1.957 -4.726 1.00 0.00 C ATOM 913 O ILE A 61 8.354 -1.533 -5.870 1.00 0.00 O ATOM 914 CB ILE A 61 9.776 -0.390 -3.628 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.198 -0.292 -3.077 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.810 0.428 -2.777 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.261 0.244 -1.665 1.00 0.00 C ATOM 0 H ILE A 61 10.658 -2.811 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 61 8.949 -2.146 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 61 9.783 0.017 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.658 -1.280 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.788 0.352 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.149 1.463 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.814 0.390 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.775 0.016 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.300 0.287 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.830 1.245 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.698 -0.412 -1.001 1.00 0.00 H new ATOM 929 N LYS A 62 7.065 -2.505 -4.309 1.00 0.00 N ATOM 930 CA LYS A 62 5.921 -2.640 -5.196 1.00 0.00 C ATOM 931 C LYS A 62 4.869 -1.611 -4.851 1.00 0.00 C ATOM 932 O LYS A 62 4.636 -1.319 -3.678 1.00 0.00 O ATOM 933 CB LYS A 62 5.297 -4.026 -5.092 1.00 0.00 C ATOM 934 CG LYS A 62 4.737 -4.527 -6.412 1.00 0.00 C ATOM 935 CD LYS A 62 4.536 -6.032 -6.399 1.00 0.00 C ATOM 936 CE LYS A 62 3.523 -6.459 -7.446 1.00 0.00 C ATOM 937 NZ LYS A 62 2.176 -6.687 -6.855 1.00 0.00 N ATOM 0 H LYS A 62 6.915 -2.862 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 62 6.279 -2.487 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.047 -4.730 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.499 -4.004 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.786 -4.034 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.415 -4.257 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.487 -6.530 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.198 -6.348 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.455 -5.694 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.866 -7.373 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.446 -6.348 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.041 -7.703 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.099 -6.169 -5.957 1.00 0.00 H new ATOM 951 N HIS A 63 4.215 -1.079 -5.867 1.00 0.00 N ATOM 952 CA HIS A 63 3.175 -0.108 -5.634 1.00 0.00 C ATOM 953 C HIS A 63 1.817 -0.780 -5.736 1.00 0.00 C ATOM 954 O HIS A 63 1.353 -1.130 -6.821 1.00 0.00 O ATOM 955 CB HIS A 63 3.282 1.033 -6.639 1.00 0.00 C ATOM 956 CG HIS A 63 4.562 1.802 -6.533 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.917 2.554 -5.435 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.586 1.919 -7.415 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.118 3.093 -5.679 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.568 2.738 -6.867 1.00 0.00 N ATOM 0 H HIS A 63 4.386 -1.302 -6.847 1.00 0.00 H new ATOM 0 HA HIS A 63 3.291 0.306 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.192 0.629 -7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.444 1.715 -6.494 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.364 2.678 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.632 1.451 -8.387 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.649 3.735 -4.992 1.00 0.00 H new ATOM 968 N TYR A 64 1.191 -0.946 -4.587 1.00 0.00 N ATOM 969 CA TYR A 64 -0.116 -1.565 -4.492 1.00 0.00 C ATOM 970 C TYR A 64 -1.199 -0.498 -4.478 1.00 0.00 C ATOM 971 O TYR A 64 -1.431 0.142 -3.454 1.00 0.00 O ATOM 972 CB TYR A 64 -0.193 -2.395 -3.212 1.00 0.00 C ATOM 973 CG TYR A 64 0.730 -3.582 -3.199 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.741 -3.720 -4.137 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.582 -4.568 -2.242 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.579 -4.811 -4.121 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.420 -5.665 -2.214 1.00 0.00 C ATOM 978 CZ TYR A 64 2.417 -5.783 -3.157 1.00 0.00 C ATOM 979 OH TYR A 64 3.254 -6.875 -3.137 1.00 0.00 O ATOM 0 H TYR A 64 1.577 -0.654 -3.689 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.270 -2.212 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.042 -1.755 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.217 -2.742 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.873 -2.959 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.202 -4.479 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.360 -4.906 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.295 -6.426 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 64 2.754 -7.675 -3.402 1.00 0.00 H new ATOM 989 N HIS A 65 -1.867 -0.299 -5.607 1.00 0.00 N ATOM 990 CA HIS A 65 -2.924 0.694 -5.658 1.00 0.00 C ATOM 991 C HIS A 65 -4.238 0.070 -5.266 1.00 0.00 C ATOM 992 O HIS A 65 -4.702 -0.874 -5.904 1.00 0.00 O ATOM 993 CB HIS A 65 -3.069 1.334 -7.034 1.00 0.00 C ATOM 994 CG HIS A 65 -3.691 2.686 -6.959 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.138 3.748 -6.286 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.869 3.129 -7.455 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.984 4.779 -6.387 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.050 4.456 -7.091 1.00 0.00 N ATOM 0 H HIS A 65 -1.699 -0.801 -6.479 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.647 1.480 -4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.088 1.412 -7.503 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.676 0.691 -7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.560 2.542 -8.042 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.815 5.751 -5.948 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.842 5.056 -7.320 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.846 0.600 -4.222 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.112 0.068 -3.784 1.00 0.00 C ATOM 1008 C ILE A 66 -7.187 0.427 -4.791 1.00 0.00 C ATOM 1009 O ILE A 66 -7.656 1.563 -4.839 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.511 0.607 -2.400 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.382 1.443 -1.803 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.860 -0.544 -1.475 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.055 0.721 -1.757 1.00 0.00 C ATOM 0 H ILE A 66 -4.489 1.383 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.010 -1.014 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.387 1.246 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.269 2.356 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.658 1.743 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.141 -0.153 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.694 -1.107 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.996 -1.200 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.300 1.375 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.151 -0.178 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.756 0.445 -2.768 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.586 -0.555 -5.580 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.615 -0.354 -6.573 1.00 0.00 C ATOM 1027 C LYS A 67 -9.944 -0.163 -5.868 1.00 0.00 C ATOM 1028 O LYS A 67 -10.095 -0.584 -4.719 1.00 0.00 O ATOM 1029 CB LYS A 67 -8.686 -1.549 -7.525 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.794 -1.437 -8.561 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.324 -0.694 -9.801 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.313 0.387 -9.454 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.975 1.648 -9.016 1.00 0.00 N ATOM 0 H LYS A 67 -7.208 -1.502 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.381 0.532 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.730 -1.652 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.835 -2.458 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.135 -2.434 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.649 -0.918 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.878 -1.400 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.181 -0.245 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.656 0.028 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.685 0.589 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.665 2.432 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.007 1.541 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.716 1.852 -8.030 1.00 0.00 H new ATOM 1047 N GLU A 68 -10.896 0.461 -6.552 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.217 0.709 -5.983 1.00 0.00 C ATOM 1049 C GLU A 68 -13.274 -0.074 -6.747 1.00 0.00 C ATOM 1050 O GLU A 68 -13.260 -0.119 -7.977 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.535 2.207 -6.042 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.766 3.035 -5.025 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.601 4.154 -4.435 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.758 4.328 -4.873 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.097 4.859 -3.535 1.00 0.00 O ATOM 0 H GLU A 68 -10.778 0.806 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.220 0.382 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.312 2.578 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.603 2.349 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.416 2.385 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.881 3.458 -5.501 1.00 0.00 H new ATOM 1062 N THR A 69 -14.187 -0.695 -6.011 1.00 0.00 N ATOM 1063 CA THR A 69 -15.246 -1.481 -6.623 1.00 0.00 C ATOM 1064 C THR A 69 -16.545 -1.315 -5.848 1.00 0.00 C ATOM 1065 O THR A 69 -16.810 -2.059 -4.907 1.00 0.00 O ATOM 1066 CB THR A 69 -14.852 -2.959 -6.670 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.000 -3.785 -6.596 1.00 0.00 O ATOM 1068 CG2 THR A 69 -13.919 -3.365 -5.549 1.00 0.00 C ATOM 0 H THR A 69 -14.214 -0.669 -4.992 1.00 0.00 H new ATOM 0 HA THR A 69 -15.396 -1.123 -7.642 1.00 0.00 H new ATOM 0 HB THR A 69 -14.332 -3.091 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.481 -3.603 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.679 -4.424 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.002 -2.779 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.403 -3.185 -4.589 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.345 -0.332 -6.244 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.615 -0.065 -5.579 1.00 0.00 C ATOM 1078 C ASN A 70 -19.226 -1.350 -5.028 1.00 0.00 C ATOM 1079 O ASN A 70 -20.211 -1.857 -5.567 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.591 0.603 -6.548 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.650 1.418 -5.832 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -20.862 1.262 -4.630 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.323 2.293 -6.571 1.00 0.00 N ATOM 0 H ASN A 70 -17.137 0.294 -7.022 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.423 0.609 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -19.037 1.250 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.074 -0.161 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -22.049 2.869 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.114 2.389 -7.565 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.615 -2.585 0.521 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.294 -2.768 -0.073 1.00 0.00 C ATOM 1129 C LYS A 74 -16.129 -1.955 -1.350 1.00 0.00 C ATOM 1130 O LYS A 74 -17.087 -1.719 -2.087 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.038 -4.248 -0.358 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.655 -5.182 0.671 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.881 -5.889 0.118 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.504 -6.902 -0.952 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.100 -8.240 -0.685 1.00 0.00 N ATOM 0 HA LYS A 74 -15.560 -2.408 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.435 -4.494 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.963 -4.421 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.917 -5.921 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.931 -4.614 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.408 -6.393 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.568 -5.154 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.839 -6.543 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.419 -6.991 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.819 -8.901 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.761 -8.594 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.137 -8.160 -0.664 1.00 0.00 H new ATOM 1149 N ARG A 75 -14.901 -1.518 -1.595 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.592 -0.722 -2.768 1.00 0.00 C ATOM 1151 C ARG A 75 -13.129 -0.839 -3.160 1.00 0.00 C ATOM 1152 O ARG A 75 -12.803 -1.105 -4.315 1.00 0.00 O ATOM 1153 CB ARG A 75 -14.911 0.740 -2.493 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.392 1.009 -2.420 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.691 2.333 -1.737 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.028 2.443 -0.440 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.336 3.362 0.468 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.295 4.244 0.222 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -15.688 3.399 1.624 1.00 0.00 N ATOM 0 H ARG A 75 -14.100 -1.705 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.200 -1.099 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.445 1.039 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.472 1.357 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.810 1.016 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.882 0.201 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.369 3.153 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.768 2.437 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.287 1.777 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.797 4.217 -0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.531 4.949 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.951 2.721 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.926 4.106 2.320 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.251 -0.590 -2.198 1.00 0.00 N ATOM 1174 CA TYR A 76 -10.822 -0.610 -2.458 1.00 0.00 C ATOM 1175 C TYR A 76 -10.212 -1.991 -2.312 1.00 0.00 C ATOM 1176 O TYR A 76 -10.607 -2.782 -1.460 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.126 0.385 -1.545 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.925 1.647 -1.391 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.015 1.882 -2.214 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.607 2.593 -0.433 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.768 3.023 -2.093 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.355 3.747 -0.301 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.437 3.959 -1.134 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.188 5.104 -1.005 1.00 0.00 O ATOM 0 H TYR A 76 -12.504 -0.373 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.675 -0.323 -3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.968 -0.068 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.142 0.624 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.277 1.152 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.763 2.427 0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.614 3.187 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.096 4.479 0.449 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.151 5.615 -1.840 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.238 -2.251 -3.168 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.525 -3.530 -3.189 1.00 0.00 C ATOM 1196 C TYR A 77 -7.314 -3.444 -4.115 1.00 0.00 C ATOM 1197 O TYR A 77 -7.121 -2.444 -4.790 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.455 -4.645 -3.658 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.652 -4.660 -5.153 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.438 -3.697 -5.775 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.046 -5.629 -5.943 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -10.617 -3.695 -7.143 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.222 -5.635 -7.315 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.007 -4.668 -7.911 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.182 -4.671 -9.275 1.00 0.00 O ATOM 0 H TYR A 77 -8.915 -1.586 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.184 -3.754 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.049 -5.606 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.423 -4.531 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.917 -2.936 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.430 -6.386 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.230 -2.938 -7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.747 -6.394 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.685 -5.419 -9.667 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.499 -4.489 -4.154 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.322 -4.482 -5.018 1.00 0.00 C ATOM 1217 C VAL A 78 -5.293 -5.695 -5.932 1.00 0.00 C ATOM 1218 O VAL A 78 -5.365 -5.572 -7.155 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.014 -4.452 -4.205 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.096 -5.597 -4.614 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.320 -3.109 -4.368 1.00 0.00 C ATOM 0 H VAL A 78 -6.626 -5.341 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.394 -3.575 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.259 -4.583 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.179 -5.555 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.598 -6.548 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.853 -5.508 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.397 -3.103 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.088 -2.945 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.977 -2.315 -4.013 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.164 -6.862 -5.326 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.096 -8.107 -6.068 1.00 0.00 C ATOM 1233 C ALA A 79 -6.477 -8.705 -6.301 1.00 0.00 C ATOM 1234 O ALA A 79 -6.680 -9.897 -6.075 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.234 -9.098 -5.306 1.00 0.00 C ATOM 0 H ALA A 79 -5.104 -6.973 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.658 -7.895 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.180 -10.035 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.231 -8.690 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.672 -9.281 -4.325 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.439 -7.892 -6.730 1.00 0.00 N ATOM 1242 CA GLU A 80 -8.781 -8.412 -6.940 1.00 0.00 C ATOM 1243 C GLU A 80 -9.052 -9.440 -5.856 1.00 0.00 C ATOM 1244 O GLU A 80 -9.843 -10.369 -6.023 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.911 -9.047 -8.326 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.175 -8.284 -9.416 1.00 0.00 C ATOM 1247 CD GLU A 80 -7.073 -9.103 -10.057 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.387 -10.145 -10.670 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -5.895 -8.703 -9.947 1.00 0.00 O ATOM 0 H GLU A 80 -7.318 -6.900 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.508 -7.602 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.529 -10.067 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.967 -9.112 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.886 -7.976 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.748 -7.375 -8.993 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.345 -9.255 -4.748 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.428 -10.136 -3.596 1.00 0.00 C ATOM 1258 C LYS A 81 -9.516 -9.693 -2.632 1.00 0.00 C ATOM 1259 O LYS A 81 -10.630 -10.215 -2.634 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.101 -10.106 -2.848 1.00 0.00 C ATOM 1261 CG LYS A 81 -5.939 -10.763 -3.568 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.645 -10.572 -2.790 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.287 -11.816 -1.993 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.475 -12.681 -1.751 1.00 0.00 N ATOM 0 H LYS A 81 -7.692 -8.481 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.660 -11.138 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.841 -9.067 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.234 -10.597 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.139 -11.827 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.835 -10.337 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.835 -10.335 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.747 -9.722 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.527 -12.384 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.851 -11.522 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.239 -13.404 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.263 -12.099 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.753 -13.145 -2.639 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.154 -8.729 -1.794 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.054 -8.194 -0.789 1.00 0.00 C ATOM 1280 C TYR A 82 -10.275 -6.705 -0.994 1.00 0.00 C ATOM 1281 O TYR A 82 -9.330 -5.917 -0.947 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.476 -8.417 0.611 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.604 -9.646 0.746 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.500 -9.847 -0.077 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.878 -10.602 1.717 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.700 -10.964 0.064 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.083 -11.721 1.862 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.996 -11.898 1.034 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.200 -13.012 1.178 1.00 0.00 O ATOM 0 H TYR A 82 -8.229 -8.299 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.007 -8.715 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.892 -7.541 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.299 -8.492 1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.265 -9.118 -0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.728 -10.467 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.847 -11.105 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.312 -12.454 2.621 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.545 -13.569 1.907 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.523 -6.316 -1.197 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.846 -4.912 -1.377 1.00 0.00 C ATOM 1301 C VAL A 83 -12.424 -4.340 -0.093 1.00 0.00 C ATOM 1302 O VAL A 83 -13.318 -4.931 0.512 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.842 -4.687 -2.524 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.303 -5.273 -3.817 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.196 -5.278 -2.173 1.00 0.00 C ATOM 0 H VAL A 83 -12.323 -6.948 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.918 -4.401 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.972 -3.615 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.021 -5.105 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.358 -4.791 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.142 -6.344 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.891 -5.110 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.091 -6.349 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.579 -4.800 -1.272 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.902 -3.200 0.328 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.364 -2.567 1.550 1.00 0.00 C ATOM 1317 C PHE A 84 -12.863 -1.155 1.278 1.00 0.00 C ATOM 1318 O PHE A 84 -12.648 -0.605 0.197 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.239 -2.547 2.585 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.571 -3.882 2.766 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.590 -4.310 1.884 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.929 -4.713 3.816 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -8.978 -5.540 2.046 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.322 -5.945 3.983 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.344 -6.359 3.097 1.00 0.00 C ATOM 0 H PHE A 84 -11.160 -2.696 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.198 -3.147 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.492 -1.813 2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.642 -2.218 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.300 -3.675 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.691 -4.395 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.215 -5.860 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.612 -6.583 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.868 -7.320 3.226 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.531 -0.575 2.266 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.065 0.773 2.138 1.00 0.00 C ATOM 1337 C ASP A 85 -13.036 1.805 2.576 1.00 0.00 C ATOM 1338 O ASP A 85 -13.353 2.985 2.728 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.339 0.920 2.970 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.590 0.606 2.172 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.712 -0.536 1.682 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.448 1.504 2.036 1.00 0.00 O ATOM 0 H ASP A 85 -13.716 -1.018 3.166 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.304 0.946 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.285 0.256 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.403 1.938 3.355 1.00 0.00 H new ATOM 1347 N SER A 86 -11.800 1.358 2.779 1.00 0.00 N ATOM 1348 CA SER A 86 -10.733 2.255 3.201 1.00 0.00 C ATOM 1349 C SER A 86 -9.368 1.573 3.160 1.00 0.00 C ATOM 1350 O SER A 86 -9.214 0.404 3.546 1.00 0.00 O ATOM 1351 CB SER A 86 -11.008 2.779 4.611 1.00 0.00 C ATOM 1352 OG SER A 86 -12.394 3.004 4.811 1.00 0.00 O ATOM 0 H SER A 86 -11.515 0.386 2.659 1.00 0.00 H new ATOM 0 HA SER A 86 -10.712 3.089 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.643 2.062 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.459 3.707 4.771 1.00 0.00 H new ATOM 0 HG SER A 86 -12.769 3.454 4.025 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.373 2.321 2.701 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.018 1.809 2.621 1.00 0.00 C ATOM 1360 C ILE A 87 -6.583 1.266 3.974 1.00 0.00 C ATOM 1361 O ILE A 87 -6.033 0.174 4.065 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.018 2.900 2.197 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.131 3.218 0.705 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.602 2.465 2.534 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.351 2.629 0.033 1.00 0.00 C ATOM 0 H ILE A 87 -8.482 3.283 2.380 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.020 1.019 1.871 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.259 3.809 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.147 4.300 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.239 2.850 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.901 3.242 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.518 2.299 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.370 1.541 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.353 2.903 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.329 1.543 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.252 3.016 0.510 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.833 2.026 5.050 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.462 1.612 6.402 1.00 0.00 C ATOM 1379 C PRO A 88 -6.993 0.224 6.724 1.00 0.00 C ATOM 1380 O PRO A 88 -6.264 -0.620 7.246 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.094 2.672 7.301 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.270 3.866 6.421 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.500 3.337 5.032 1.00 0.00 C ATOM 0 HA PRO A 88 -5.382 1.543 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.049 2.332 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.454 2.900 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.114 4.471 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.388 4.505 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.563 3.244 4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.072 3.995 4.276 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.249 -0.034 6.367 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.818 -1.356 6.585 1.00 0.00 C ATOM 1393 C LEU A 89 -8.183 -2.292 5.578 1.00 0.00 C ATOM 1394 O LEU A 89 -7.611 -3.334 5.933 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.347 -1.386 6.430 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.058 -0.036 6.326 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.650 0.137 4.936 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.147 0.069 7.384 1.00 0.00 C ATOM 0 H LEU A 89 -8.879 0.641 5.934 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.611 -1.659 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.586 -1.965 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.764 -1.924 7.281 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.332 0.758 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.154 1.101 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.853 0.094 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.368 -0.661 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.645 1.035 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.875 -0.729 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.702 -0.024 8.375 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.246 -1.887 4.311 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.638 -2.667 3.252 1.00 0.00 C ATOM 1412 C LEU A 90 -6.178 -2.907 3.601 1.00 0.00 C ATOM 1413 O LEU A 90 -5.612 -3.955 3.293 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.766 -1.944 1.914 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.344 -2.768 0.699 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.281 -2.516 -0.469 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.906 -2.450 0.316 1.00 0.00 C ATOM 0 H LEU A 90 -8.708 -1.032 4.002 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.150 -3.625 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.802 -1.633 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.163 -1.037 1.948 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.404 -3.825 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.964 -3.112 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.296 -2.796 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.256 -1.459 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.620 -3.045 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.820 -1.391 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.246 -2.686 1.151 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.588 -1.931 4.288 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.210 -2.031 4.734 1.00 0.00 C ATOM 1431 C ILE A 91 -4.164 -2.897 5.975 1.00 0.00 C ATOM 1432 O ILE A 91 -3.321 -3.784 6.105 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.596 -0.654 5.058 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.641 0.254 3.831 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.160 -0.814 5.542 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.895 -0.304 2.646 1.00 0.00 C ATOM 0 H ILE A 91 -6.050 -1.059 4.546 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.626 -2.468 3.924 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.184 -0.194 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.681 0.422 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.220 1.225 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.740 0.167 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.146 -1.430 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.565 -1.294 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.968 0.391 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.847 -0.446 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.330 -1.262 2.360 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.107 -2.644 6.877 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.208 -3.411 8.103 1.00 0.00 C ATOM 1450 C GLN A 92 -5.373 -4.882 7.765 1.00 0.00 C ATOM 1451 O GLN A 92 -4.912 -5.754 8.502 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.391 -2.926 8.945 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.074 -1.707 9.795 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.583 -1.484 9.960 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.917 -1.111 8.873 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.037 -1.643 11.051 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.810 -1.912 6.777 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.297 -3.273 8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.225 -2.690 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.720 -3.737 9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.522 -0.824 9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.531 -1.825 10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.588 -1.930 11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.033 -1.487 11.147 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.024 -5.157 6.633 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.226 -6.529 6.202 1.00 0.00 C ATOM 1467 C TYR A 93 -4.917 -7.124 5.691 1.00 0.00 C ATOM 1468 O TYR A 93 -4.614 -8.288 5.957 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.300 -6.601 5.118 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.814 -7.229 3.835 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.563 -8.593 3.757 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.602 -6.456 2.705 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.113 -9.166 2.585 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.154 -7.022 1.530 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.909 -8.378 1.474 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.460 -8.947 0.305 1.00 0.00 O ATOM 0 H TYR A 93 -6.414 -4.451 6.008 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.563 -7.111 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.149 -7.172 5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.661 -5.594 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.722 -9.214 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.791 -5.393 2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.922 -10.228 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.996 -6.406 0.657 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.697 -9.898 0.292 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.129 -6.324 4.968 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.854 -6.800 4.451 1.00 0.00 C ATOM 1488 C HIS A 94 -1.759 -6.608 5.490 1.00 0.00 C ATOM 1489 O HIS A 94 -0.742 -7.302 5.473 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.491 -6.072 3.161 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.775 -6.865 1.926 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.806 -6.564 1.067 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.163 -7.957 1.412 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.822 -7.438 0.079 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -2.834 -8.294 0.263 1.00 0.00 N ATOM 0 H HIS A 94 -4.352 -5.357 4.732 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.948 -7.864 4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.044 -5.134 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.431 -5.817 3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.457 -5.786 1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.307 -8.468 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.524 -7.451 -0.741 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.977 -5.665 6.401 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.014 -5.386 7.456 1.00 0.00 C ATOM 1506 C GLN A 95 -1.040 -6.496 8.500 1.00 0.00 C ATOM 1507 O GLN A 95 -0.008 -6.867 9.060 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.321 -4.043 8.118 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.181 -3.042 8.029 1.00 0.00 C ATOM 1510 CD GLN A 95 0.003 -2.252 9.309 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.489 -1.019 9.320 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.581 -2.744 10.279 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.813 -5.082 6.428 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.020 -5.339 7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.207 -3.613 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.563 -4.212 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.744 -3.570 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.371 -2.353 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.944 -3.696 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.697 -2.200 11.134 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.236 -7.022 8.754 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.417 -8.091 9.726 1.00 0.00 C ATOM 1523 C TYR A 96 -2.585 -9.436 9.026 1.00 0.00 C ATOM 1524 O TYR A 96 -1.701 -10.291 9.081 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.638 -7.804 10.602 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.365 -6.817 11.713 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.044 -5.497 11.430 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.428 -7.206 13.045 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.794 -4.591 12.441 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.180 -6.305 14.064 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.864 -5.000 13.756 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.616 -4.099 14.767 1.00 0.00 O ATOM 0 H TYR A 96 -3.097 -6.722 8.296 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.528 -8.136 10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.443 -7.420 9.975 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.991 -8.739 11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.989 -5.173 10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.675 -8.229 13.289 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.545 -3.567 12.203 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.234 -6.622 15.095 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.707 -4.547 15.634 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.726 -9.616 8.368 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.012 -10.856 7.656 1.00 0.00 C ATOM 1544 C ASN A 97 -2.862 -11.223 6.724 1.00 0.00 C ATOM 1545 O ASN A 97 -1.733 -10.770 6.910 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.312 -10.724 6.862 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.452 -11.504 7.486 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.888 -12.524 6.952 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.941 -11.025 8.624 1.00 0.00 N ATOM 0 H ASN A 97 -4.468 -8.918 8.313 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.126 -11.653 8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.589 -9.672 6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.150 -11.076 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.709 -11.506 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.548 -10.176 9.030 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.153 -12.048 5.723 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.126 -12.459 4.783 1.00 0.00 C ATOM 1558 C GLY A 98 -2.551 -12.294 3.337 1.00 0.00 C ATOM 1559 O GLY A 98 -2.705 -13.279 2.615 1.00 0.00 O ATOM 0 H GLY A 98 -4.079 -12.438 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.223 -11.875 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.871 -13.503 4.965 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.730 -11.049 2.909 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.128 -10.789 1.537 1.00 0.00 C ATOM 1565 C GLY A 99 -1.980 -10.979 0.565 1.00 0.00 C ATOM 1566 O GLY A 99 -1.308 -10.017 0.195 1.00 0.00 O ATOM 0 H GLY A 99 -2.607 -10.217 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.947 -11.455 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.506 -9.770 1.456 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.752 -12.224 0.155 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.673 -12.515 -0.772 1.00 0.00 C ATOM 1572 C GLY A 100 0.368 -11.414 -0.811 1.00 0.00 C ATOM 1573 O GLY A 100 0.931 -11.047 0.220 1.00 0.00 O ATOM 0 H GLY A 100 -2.295 -13.036 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.196 -13.453 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.085 -12.658 -1.771 1.00 0.00 H new ATOM 1577 N LEU A 101 0.617 -10.880 -2.001 1.00 0.00 N ATOM 1578 CA LEU A 101 1.588 -9.809 -2.168 1.00 0.00 C ATOM 1579 C LEU A 101 2.983 -10.259 -1.739 1.00 0.00 C ATOM 1580 O LEU A 101 3.226 -11.450 -1.541 1.00 0.00 O ATOM 1581 CB LEU A 101 1.156 -8.595 -1.352 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.128 -7.908 -1.830 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.164 -8.938 -2.254 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.683 -7.008 -0.736 1.00 0.00 C ATOM 0 H LEU A 101 0.159 -11.172 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 101 1.630 -9.543 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.019 -8.904 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.965 -7.864 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 101 0.112 -7.293 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.067 -8.429 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.764 -9.542 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.404 -9.582 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.595 -6.526 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.907 -7.605 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.055 -6.247 -0.482 1.00 0.00 H new ATOM 1596 N VAL A 102 3.896 -9.300 -1.595 1.00 0.00 N ATOM 1597 CA VAL A 102 5.264 -9.606 -1.188 1.00 0.00 C ATOM 1598 C VAL A 102 5.346 -9.875 0.310 1.00 0.00 C ATOM 1599 O VAL A 102 6.111 -10.730 0.755 1.00 0.00 O ATOM 1600 CB VAL A 102 6.238 -8.462 -1.541 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.830 -7.789 -2.843 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.312 -7.448 -0.409 1.00 0.00 C ATOM 0 H VAL A 102 3.713 -8.309 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 102 5.556 -10.501 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 102 7.231 -8.891 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.530 -6.986 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.841 -8.521 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.826 -7.377 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.004 -6.651 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.323 -7.026 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.662 -7.940 0.498 1.00 0.00 H new ATOM 1612 N THR A 103 4.557 -9.138 1.085 1.00 0.00 N ATOM 1613 CA THR A 103 4.547 -9.300 2.534 1.00 0.00 C ATOM 1614 C THR A 103 3.311 -8.652 3.152 1.00 0.00 C ATOM 1615 O THR A 103 3.367 -8.127 4.263 1.00 0.00 O ATOM 1616 CB THR A 103 5.811 -8.688 3.141 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.747 -7.274 3.113 1.00 0.00 O ATOM 1618 CG2 THR A 103 7.081 -9.102 2.428 1.00 0.00 C ATOM 0 H THR A 103 3.918 -8.424 0.735 1.00 0.00 H new ATOM 0 HA THR A 103 4.521 -10.367 2.753 1.00 0.00 H new ATOM 0 HB THR A 103 5.849 -9.063 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.728 -6.966 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.938 -8.632 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.187 -10.186 2.474 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.033 -8.786 1.386 1.00 0.00 H new ATOM 1626 N ARG A 104 2.196 -8.693 2.429 1.00 0.00 N ATOM 1627 CA ARG A 104 0.951 -8.108 2.918 1.00 0.00 C ATOM 1628 C ARG A 104 1.234 -7.077 4.005 1.00 0.00 C ATOM 1629 O ARG A 104 1.523 -7.433 5.149 1.00 0.00 O ATOM 1630 CB ARG A 104 0.029 -9.201 3.460 1.00 0.00 C ATOM 1631 CG ARG A 104 0.749 -10.242 4.303 1.00 0.00 C ATOM 1632 CD ARG A 104 0.761 -9.860 5.773 1.00 0.00 C ATOM 1633 NE ARG A 104 2.104 -9.915 6.343 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.359 -10.278 7.596 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.364 -10.615 8.405 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.607 -10.303 8.040 1.00 0.00 N ATOM 0 H ARG A 104 2.128 -9.123 1.507 1.00 0.00 H new ATOM 0 HA ARG A 104 0.456 -7.609 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.755 -8.739 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.461 -9.699 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.262 -11.209 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.773 -10.354 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.359 -8.853 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.105 -10.531 6.327 1.00 0.00 H new ATOM 0 HE ARG A 104 2.891 -9.661 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.402 -10.596 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.560 -10.893 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.374 -10.043 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.801 -10.582 9.002 1.00 0.00 H new ATOM 1650 N LEU A 105 1.160 -5.800 3.643 1.00 0.00 N ATOM 1651 CA LEU A 105 1.421 -4.725 4.593 1.00 0.00 C ATOM 1652 C LEU A 105 2.241 -5.238 5.769 1.00 0.00 C ATOM 1653 O LEU A 105 1.903 -5.003 6.929 1.00 0.00 O ATOM 1654 CB LEU A 105 0.113 -4.105 5.088 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.515 -3.099 4.133 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.455 -2.770 3.024 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.806 -3.628 3.545 1.00 0.00 C ATOM 0 H LEU A 105 0.922 -5.485 2.702 1.00 0.00 H new ATOM 0 HA LEU A 105 1.993 -3.952 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.604 -4.904 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.298 -3.613 6.043 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.746 -2.196 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.000 -2.050 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.363 -2.343 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.703 -3.679 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.228 -2.886 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.606 -4.548 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.515 -3.832 4.348 1.00 0.00 H new ATOM 1669 N ARG A 106 3.323 -5.941 5.455 1.00 0.00 N ATOM 1670 CA ARG A 106 4.202 -6.495 6.476 1.00 0.00 C ATOM 1671 C ARG A 106 4.647 -5.418 7.458 1.00 0.00 C ATOM 1672 O ARG A 106 4.763 -5.671 8.657 1.00 0.00 O ATOM 1673 CB ARG A 106 5.429 -7.133 5.825 1.00 0.00 C ATOM 1674 CG ARG A 106 6.132 -8.148 6.710 1.00 0.00 C ATOM 1675 CD ARG A 106 6.179 -7.687 8.158 1.00 0.00 C ATOM 1676 NE ARG A 106 4.914 -7.924 8.849 1.00 0.00 N ATOM 1677 CZ ARG A 106 4.693 -7.585 10.115 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.648 -6.999 10.824 1.00 0.00 N ATOM 1679 NH2 ARG A 106 3.516 -7.833 10.674 1.00 0.00 N ATOM 0 H ARG A 106 3.613 -6.141 4.498 1.00 0.00 H new ATOM 0 HA ARG A 106 3.644 -7.255 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.125 -7.621 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.136 -6.348 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.615 -9.106 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.146 -8.309 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.980 -8.210 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.417 -6.624 8.192 1.00 0.00 H new ATOM 0 HE ARG A 106 4.159 -8.374 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.555 -6.807 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.476 -6.740 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.779 -8.284 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.348 -7.572 11.646 1.00 0.00 H new ATOM 1693 N TYR A 107 4.902 -4.219 6.945 1.00 0.00 N ATOM 1694 CA TYR A 107 5.343 -3.116 7.789 1.00 0.00 C ATOM 1695 C TYR A 107 5.243 -1.782 7.062 1.00 0.00 C ATOM 1696 O TYR A 107 6.139 -1.408 6.307 1.00 0.00 O ATOM 1697 CB TYR A 107 6.786 -3.339 8.239 1.00 0.00 C ATOM 1698 CG TYR A 107 7.302 -2.245 9.144 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.789 -2.081 10.421 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.296 -1.373 8.717 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.249 -1.079 11.251 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.764 -0.369 9.542 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.238 -0.226 10.809 1.00 0.00 C ATOM 1704 OH TYR A 107 8.700 0.774 11.634 1.00 0.00 O ATOM 0 H TYR A 107 4.812 -3.988 5.956 1.00 0.00 H new ATOM 0 HA TYR A 107 4.686 -3.086 8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.854 -4.294 8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.427 -3.408 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.016 -2.749 10.772 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.709 -1.482 7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.836 -0.964 12.242 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.538 0.301 9.197 1.00 0.00 H new ATOM 0 HH TYR A 107 8.623 0.489 12.568 1.00 0.00 H new ATOM 1714 N PRO A 108 4.157 -1.036 7.289 1.00 0.00 N ATOM 1715 CA PRO A 108 3.964 0.267 6.662 1.00 0.00 C ATOM 1716 C PRO A 108 5.176 1.174 6.869 1.00 0.00 C ATOM 1717 O PRO A 108 5.732 1.242 7.965 1.00 0.00 O ATOM 1718 CB PRO A 108 2.723 0.835 7.367 1.00 0.00 C ATOM 1719 CG PRO A 108 2.505 -0.038 8.558 1.00 0.00 C ATOM 1720 CD PRO A 108 3.042 -1.383 8.177 1.00 0.00 C ATOM 0 HA PRO A 108 3.840 0.193 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.881 1.872 7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.856 0.821 6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.022 0.357 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.447 -0.096 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.376 -1.949 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.293 -1.991 7.670 1.00 0.00 H new ATOM 1728 N VAL A 109 5.589 1.857 5.807 1.00 0.00 N ATOM 1729 CA VAL A 109 6.735 2.748 5.861 1.00 0.00 C ATOM 1730 C VAL A 109 6.315 4.189 5.593 1.00 0.00 C ATOM 1731 O VAL A 109 5.486 4.450 4.722 1.00 0.00 O ATOM 1732 CB VAL A 109 7.801 2.334 4.829 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.761 3.261 3.625 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.185 2.318 5.459 1.00 0.00 C ATOM 0 H VAL A 109 5.141 1.807 4.892 1.00 0.00 H new ATOM 0 HA VAL A 109 7.158 2.677 6.863 1.00 0.00 H new ATOM 0 HB VAL A 109 7.578 1.323 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.520 2.955 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.777 3.210 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.957 4.284 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.922 2.023 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.426 3.313 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.201 1.607 6.285 1.00 0.00 H new ATOM 1744 N CYS A 110 6.891 5.120 6.344 1.00 0.00 N ATOM 1745 CA CYS A 110 6.572 6.531 6.181 1.00 0.00 C ATOM 1746 C CYS A 110 7.840 7.362 6.034 1.00 0.00 C ATOM 1747 O CYS A 110 8.383 7.868 7.016 1.00 0.00 O ATOM 1748 CB CYS A 110 5.752 7.033 7.371 1.00 0.00 C ATOM 1749 SG CYS A 110 6.474 6.644 8.982 1.00 0.00 S ATOM 0 H CYS A 110 7.580 4.923 7.070 1.00 0.00 H new ATOM 0 HA CYS A 110 5.981 6.641 5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.636 8.114 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.753 6.600 7.319 1.00 0.00 H new ATOM 0 HG CYS A 110 7.725 6.997 8.994 1.00 0.00 H new ATOM 1755 N GLY A 111 8.306 7.498 4.799 1.00 0.00 N ATOM 1756 CA GLY A 111 9.508 8.267 4.538 1.00 0.00 C ATOM 1757 C GLY A 111 9.315 9.290 3.436 1.00 0.00 C ATOM 1758 O GLY A 111 10.194 9.481 2.596 1.00 0.00 O ATOM 0 H GLY A 111 7.872 7.089 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.816 8.776 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.316 7.589 4.263 1.00 0.00 H new