USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 7 THR OG1 : rot 52:sc= 1.17 USER MOD Set 1.2: A 64 ASN : amide:sc= 1.08 X(o=2.2,f=2.1) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -157:sc= 1.3 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 13 SER OG : rot -74:sc= 1.24 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -160:sc= 0.0197 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 176:sc= -0.263 (180deg=-0.272) USER MOD Single : A 33 CYS SG : rot 89:sc= 0.598 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot -51:sc= 0.83 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 149:sc= 0.119 USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -100:sc= 0.362 USER MOD Single : A 65 THR OG1 : rot -36:sc= 1.25 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 67 THR OG1 : rot -102:sc= 0.969 USER MOD Single : A 69 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= 2.52 (180deg=2.15) USER MOD Single : A 91 TYR OH : rot 164:sc= 1.25 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.0073) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.724 1.116 14.743 1.00 0.00 N ATOM 2 CA SER A 1 0.067 1.125 13.414 1.00 0.00 C ATOM 3 C SER A 1 0.129 -0.250 12.751 1.00 0.00 C ATOM 4 O SER A 1 1.197 -0.858 12.682 1.00 0.00 O ATOM 5 CB SER A 1 0.691 2.169 12.475 1.00 0.00 C ATOM 6 OG SER A 1 0.594 3.463 13.042 1.00 0.00 O ATOM 0 H1 SER A 1 0.664 2.064 15.166 1.00 0.00 H new ATOM 0 H2 SER A 1 0.246 0.430 15.362 1.00 0.00 H new ATOM 0 H3 SER A 1 1.723 0.847 14.635 1.00 0.00 H new ATOM 0 HA SER A 1 -0.976 1.391 13.588 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.737 1.923 12.291 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.184 2.149 11.510 1.00 0.00 H new ATOM 0 HG SER A 1 0.649 4.136 12.332 1.00 0.00 H new ATOM 14 N ASP A 2 -1.006 -0.757 12.251 1.00 0.00 N ATOM 15 CA ASP A 2 -1.065 -1.996 11.451 1.00 0.00 C ATOM 16 C ASP A 2 -0.382 -1.836 10.075 1.00 0.00 C ATOM 17 O ASP A 2 0.231 -2.775 9.566 1.00 0.00 O ATOM 18 CB ASP A 2 -2.526 -2.427 11.286 1.00 0.00 C ATOM 19 CG ASP A 2 -3.134 -2.870 12.628 1.00 0.00 C ATOM 20 OD1 ASP A 2 -3.006 -4.065 12.989 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.724 -2.015 13.341 1.00 0.00 O ATOM 0 H ASP A 2 -1.917 -0.319 12.389 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.514 -2.770 11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.107 -1.601 10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.587 -3.246 10.569 1.00 0.00 H new ATOM 26 N VAL A 3 -0.455 -0.628 9.496 1.00 0.00 N ATOM 27 CA VAL A 3 0.300 -0.213 8.299 1.00 0.00 C ATOM 28 C VAL A 3 1.721 0.193 8.707 1.00 0.00 C ATOM 29 O VAL A 3 1.908 0.901 9.698 1.00 0.00 O ATOM 30 CB VAL A 3 -0.400 0.980 7.615 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.357 1.478 6.377 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.817 0.617 7.161 1.00 0.00 C ATOM 0 H VAL A 3 -1.059 0.111 9.857 1.00 0.00 H new ATOM 0 HA VAL A 3 0.343 -1.048 7.599 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.425 1.765 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.180 2.318 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.357 1.799 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.432 0.672 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.279 1.481 6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.771 -0.208 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.411 0.319 8.025 1.00 0.00 H new ATOM 42 N LEU A 4 2.729 -0.214 7.927 1.00 0.00 N ATOM 43 CA LEU A 4 4.114 0.235 8.081 1.00 0.00 C ATOM 44 C LEU A 4 4.275 1.652 7.487 1.00 0.00 C ATOM 45 O LEU A 4 4.105 1.859 6.285 1.00 0.00 O ATOM 46 CB LEU A 4 5.061 -0.767 7.386 1.00 0.00 C ATOM 47 CG LEU A 4 5.333 -2.130 8.056 1.00 0.00 C ATOM 48 CD1 LEU A 4 6.000 -1.958 9.424 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.094 -3.011 8.223 1.00 0.00 C ATOM 0 H LEU A 4 2.602 -0.874 7.160 1.00 0.00 H new ATOM 0 HA LEU A 4 4.371 0.278 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.659 -0.964 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.022 -0.271 7.249 1.00 0.00 H new ATOM 0 HG LEU A 4 6.003 -2.641 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.177 -2.938 9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.950 -1.437 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.348 -1.377 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.376 -3.949 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.361 -2.494 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.661 -3.219 7.245 1.00 0.00 H new ATOM 61 N GLU A 5 4.604 2.651 8.312 1.00 0.00 N ATOM 62 CA GLU A 5 4.643 4.070 7.915 1.00 0.00 C ATOM 63 C GLU A 5 6.095 4.544 7.706 1.00 0.00 C ATOM 64 O GLU A 5 6.624 5.358 8.471 1.00 0.00 O ATOM 65 CB GLU A 5 3.864 4.927 8.932 1.00 0.00 C ATOM 66 CG GLU A 5 2.352 4.635 8.933 1.00 0.00 C ATOM 67 CD GLU A 5 1.632 5.512 9.973 1.00 0.00 C ATOM 68 OE1 GLU A 5 1.227 6.653 9.638 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.454 5.062 11.133 1.00 0.00 O ATOM 0 H GLU A 5 4.855 2.499 9.289 1.00 0.00 H new ATOM 0 HA GLU A 5 4.146 4.190 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.263 4.749 9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.024 5.982 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.939 4.823 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.180 3.582 9.155 1.00 0.00 H new ATOM 76 N LEU A 6 6.772 3.957 6.710 1.00 0.00 N ATOM 77 CA LEU A 6 8.196 4.183 6.428 1.00 0.00 C ATOM 78 C LEU A 6 8.506 5.593 5.878 1.00 0.00 C ATOM 79 O LEU A 6 7.636 6.359 5.451 1.00 0.00 O ATOM 80 CB LEU A 6 8.738 3.118 5.442 1.00 0.00 C ATOM 81 CG LEU A 6 8.667 1.621 5.808 1.00 0.00 C ATOM 82 CD1 LEU A 6 8.691 1.361 7.316 1.00 0.00 C ATOM 83 CD2 LEU A 6 7.447 0.944 5.193 1.00 0.00 C ATOM 0 H LEU A 6 6.336 3.298 6.065 1.00 0.00 H new ATOM 0 HA LEU A 6 8.700 4.097 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.205 3.247 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.784 3.356 5.251 1.00 0.00 H new ATOM 0 HG LEU A 6 9.572 1.184 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.638 0.288 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.614 1.757 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.838 1.852 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.434 -0.109 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.540 1.428 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.493 1.028 4.107 1.00 0.00 H new ATOM 95 N THR A 7 9.804 5.890 5.828 1.00 0.00 N ATOM 96 CA THR A 7 10.412 7.047 5.163 1.00 0.00 C ATOM 97 C THR A 7 11.773 6.622 4.594 1.00 0.00 C ATOM 98 O THR A 7 12.338 5.616 5.023 1.00 0.00 O ATOM 99 CB THR A 7 10.520 8.246 6.128 1.00 0.00 C ATOM 100 OG1 THR A 7 11.193 9.342 5.550 1.00 0.00 O ATOM 101 CG2 THR A 7 11.254 7.931 7.434 1.00 0.00 C ATOM 0 H THR A 7 10.502 5.296 6.276 1.00 0.00 H new ATOM 0 HA THR A 7 9.782 7.383 4.339 1.00 0.00 H new ATOM 0 HB THR A 7 9.479 8.487 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.782 9.561 4.688 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.288 8.825 8.057 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.728 7.138 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.270 7.606 7.211 1.00 0.00 H new ATOM 109 N ASP A 8 12.295 7.355 3.611 1.00 0.00 N ATOM 110 CA ASP A 8 13.507 7.015 2.841 1.00 0.00 C ATOM 111 C ASP A 8 14.766 6.708 3.678 1.00 0.00 C ATOM 112 O ASP A 8 15.650 5.978 3.231 1.00 0.00 O ATOM 113 CB ASP A 8 13.771 8.162 1.866 1.00 0.00 C ATOM 114 CG ASP A 8 14.805 7.780 0.792 1.00 0.00 C ATOM 115 OD1 ASP A 8 14.466 6.963 -0.099 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.938 8.324 0.811 1.00 0.00 O ATOM 0 H ASP A 8 11.875 8.236 3.313 1.00 0.00 H new ATOM 0 HA ASP A 8 13.306 6.075 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.837 8.450 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.126 9.032 2.418 1.00 0.00 H new ATOM 121 N ASP A 9 14.826 7.201 4.922 1.00 0.00 N ATOM 122 CA ASP A 9 15.839 6.845 5.921 1.00 0.00 C ATOM 123 C ASP A 9 15.963 5.324 6.189 1.00 0.00 C ATOM 124 O ASP A 9 17.048 4.850 6.540 1.00 0.00 O ATOM 125 CB ASP A 9 15.501 7.579 7.225 1.00 0.00 C ATOM 126 CG ASP A 9 16.599 7.428 8.292 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.686 8.034 8.134 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.361 6.736 9.313 1.00 0.00 O ATOM 0 H ASP A 9 14.149 7.880 5.271 1.00 0.00 H new ATOM 0 HA ASP A 9 16.807 7.148 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.349 8.637 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.561 7.195 7.620 1.00 0.00 H new ATOM 133 N ASN A 10 14.880 4.553 6.001 1.00 0.00 N ATOM 134 CA ASN A 10 14.859 3.094 6.191 1.00 0.00 C ATOM 135 C ASN A 10 14.025 2.301 5.162 1.00 0.00 C ATOM 136 O ASN A 10 14.242 1.098 5.018 1.00 0.00 O ATOM 137 CB ASN A 10 14.417 2.764 7.627 1.00 0.00 C ATOM 138 CG ASN A 10 12.914 2.815 7.849 1.00 0.00 C ATOM 139 OD1 ASN A 10 12.232 1.805 7.757 1.00 0.00 O ATOM 140 ND2 ASN A 10 12.344 3.967 8.137 1.00 0.00 N ATOM 0 H ASN A 10 13.980 4.932 5.708 1.00 0.00 H new ATOM 0 HA ASN A 10 15.883 2.763 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.776 1.768 7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.897 3.463 8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.336 4.015 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.911 4.811 8.214 1.00 0.00 H new ATOM 147 N PHE A 11 13.107 2.940 4.431 1.00 0.00 N ATOM 148 CA PHE A 11 12.186 2.311 3.467 1.00 0.00 C ATOM 149 C PHE A 11 12.864 1.286 2.536 1.00 0.00 C ATOM 150 O PHE A 11 12.391 0.160 2.402 1.00 0.00 O ATOM 151 CB PHE A 11 11.526 3.444 2.659 1.00 0.00 C ATOM 152 CG PHE A 11 10.719 3.024 1.445 1.00 0.00 C ATOM 153 CD1 PHE A 11 9.505 2.324 1.600 1.00 0.00 C ATOM 154 CD2 PHE A 11 11.169 3.368 0.155 1.00 0.00 C ATOM 155 CE1 PHE A 11 8.747 1.984 0.464 1.00 0.00 C ATOM 156 CE2 PHE A 11 10.409 3.022 -0.976 1.00 0.00 C ATOM 157 CZ PHE A 11 9.199 2.328 -0.822 1.00 0.00 C ATOM 0 H PHE A 11 12.976 3.950 4.494 1.00 0.00 H new ATOM 0 HA PHE A 11 11.446 1.732 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.872 4.004 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.307 4.129 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.158 2.050 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.101 3.900 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.812 1.456 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.756 3.290 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.616 2.059 -1.690 1.00 0.00 H new ATOM 167 N GLU A 12 14.039 1.630 2.001 1.00 0.00 N ATOM 168 CA GLU A 12 14.845 0.809 1.074 1.00 0.00 C ATOM 169 C GLU A 12 15.230 -0.596 1.579 1.00 0.00 C ATOM 170 O GLU A 12 15.561 -1.490 0.798 1.00 0.00 O ATOM 171 CB GLU A 12 16.129 1.578 0.727 1.00 0.00 C ATOM 172 CG GLU A 12 16.999 1.962 1.937 1.00 0.00 C ATOM 173 CD GLU A 12 18.349 2.538 1.471 1.00 0.00 C ATOM 174 OE1 GLU A 12 19.244 1.746 1.081 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.546 3.779 1.505 1.00 0.00 O ATOM 0 H GLU A 12 14.479 2.527 2.207 1.00 0.00 H new ATOM 0 HA GLU A 12 14.204 0.637 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.726 0.971 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.857 2.487 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.476 2.696 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.168 1.086 2.563 1.00 0.00 H new ATOM 182 N SER A 13 15.192 -0.771 2.898 1.00 0.00 N ATOM 183 CA SER A 13 15.522 -2.021 3.614 1.00 0.00 C ATOM 184 C SER A 13 14.318 -2.909 3.946 1.00 0.00 C ATOM 185 O SER A 13 14.485 -4.086 4.283 1.00 0.00 O ATOM 186 CB SER A 13 16.243 -1.674 4.919 1.00 0.00 C ATOM 187 OG SER A 13 15.339 -1.122 5.869 1.00 0.00 O ATOM 0 H SER A 13 14.920 -0.020 3.532 1.00 0.00 H new ATOM 0 HA SER A 13 16.149 -2.596 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.708 -2.570 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.044 -0.963 4.718 1.00 0.00 H new ATOM 0 HG SER A 13 15.114 -0.204 5.611 1.00 0.00 H new ATOM 193 N ARG A 14 13.099 -2.355 3.895 1.00 0.00 N ATOM 194 CA ARG A 14 11.877 -3.017 4.388 1.00 0.00 C ATOM 195 C ARG A 14 11.105 -3.737 3.291 1.00 0.00 C ATOM 196 O ARG A 14 10.532 -4.796 3.533 1.00 0.00 O ATOM 197 CB ARG A 14 10.961 -1.975 5.047 1.00 0.00 C ATOM 198 CG ARG A 14 11.596 -1.209 6.228 1.00 0.00 C ATOM 199 CD ARG A 14 12.224 -2.093 7.316 1.00 0.00 C ATOM 200 NE ARG A 14 11.269 -3.094 7.845 1.00 0.00 N ATOM 201 CZ ARG A 14 11.436 -4.401 7.944 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.555 -4.997 7.650 1.00 0.00 N ATOM 203 NH2 ARG A 14 10.465 -5.173 8.332 1.00 0.00 N ATOM 0 H ARG A 14 12.929 -1.427 3.508 1.00 0.00 H new ATOM 0 HA ARG A 14 12.194 -3.771 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.650 -1.255 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.059 -2.476 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.363 -0.541 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.832 -0.582 6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.095 -2.605 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.578 -1.464 8.133 1.00 0.00 H new ATOM 0 HE ARG A 14 10.374 -2.730 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.354 -4.451 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.633 -6.010 7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.557 -4.772 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.611 -6.180 8.403 1.00 0.00 H new ATOM 217 N ILE A 15 11.139 -3.188 2.075 1.00 0.00 N ATOM 218 CA ILE A 15 10.375 -3.702 0.927 1.00 0.00 C ATOM 219 C ILE A 15 10.907 -5.059 0.434 1.00 0.00 C ATOM 220 O ILE A 15 10.172 -5.856 -0.146 1.00 0.00 O ATOM 221 CB ILE A 15 10.239 -2.647 -0.196 1.00 0.00 C ATOM 222 CG1 ILE A 15 11.409 -2.580 -1.204 1.00 0.00 C ATOM 223 CG2 ILE A 15 9.951 -1.260 0.412 1.00 0.00 C ATOM 224 CD1 ILE A 15 12.763 -2.185 -0.611 1.00 0.00 C ATOM 0 H ILE A 15 11.702 -2.367 1.853 1.00 0.00 H new ATOM 0 HA ILE A 15 9.361 -3.897 1.275 1.00 0.00 H new ATOM 0 HB ILE A 15 9.394 -2.982 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.511 -3.554 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.152 -1.866 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.857 -0.525 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.022 -1.298 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.770 -0.975 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.515 -2.168 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.688 -1.196 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.052 -2.910 0.150 1.00 0.00 H new ATOM 236 N SER A 16 12.179 -5.337 0.734 1.00 0.00 N ATOM 237 CA SER A 16 12.929 -6.539 0.340 1.00 0.00 C ATOM 238 C SER A 16 13.050 -7.588 1.463 1.00 0.00 C ATOM 239 O SER A 16 13.602 -8.671 1.245 1.00 0.00 O ATOM 240 CB SER A 16 14.317 -6.113 -0.151 1.00 0.00 C ATOM 241 OG SER A 16 14.997 -5.371 0.857 1.00 0.00 O ATOM 0 H SER A 16 12.747 -4.696 1.289 1.00 0.00 H new ATOM 0 HA SER A 16 12.370 -7.028 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.901 -6.994 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.220 -5.509 -1.053 1.00 0.00 H new ATOM 0 HG SER A 16 15.882 -5.108 0.529 1.00 0.00 H new ATOM 247 N ASP A 17 12.504 -7.303 2.649 1.00 0.00 N ATOM 248 CA ASP A 17 12.427 -8.221 3.797 1.00 0.00 C ATOM 249 C ASP A 17 11.189 -9.152 3.740 1.00 0.00 C ATOM 250 O ASP A 17 10.836 -9.817 4.718 1.00 0.00 O ATOM 251 CB ASP A 17 12.455 -7.381 5.086 1.00 0.00 C ATOM 252 CG ASP A 17 12.773 -8.177 6.363 1.00 0.00 C ATOM 253 OD1 ASP A 17 13.582 -9.135 6.320 1.00 0.00 O ATOM 254 OD2 ASP A 17 12.270 -7.781 7.446 1.00 0.00 O ATOM 0 H ASP A 17 12.087 -6.393 2.847 1.00 0.00 H new ATOM 0 HA ASP A 17 13.286 -8.892 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.197 -6.590 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.487 -6.895 5.208 1.00 0.00 H new ATOM 259 N THR A 18 10.499 -9.194 2.592 1.00 0.00 N ATOM 260 CA THR A 18 9.352 -10.054 2.273 1.00 0.00 C ATOM 261 C THR A 18 9.688 -11.551 2.293 1.00 0.00 C ATOM 262 O THR A 18 10.825 -11.969 2.057 1.00 0.00 O ATOM 263 CB THR A 18 8.757 -9.681 0.894 1.00 0.00 C ATOM 264 OG1 THR A 18 9.757 -9.429 -0.077 1.00 0.00 O ATOM 265 CG2 THR A 18 7.915 -8.410 0.955 1.00 0.00 C ATOM 0 H THR A 18 10.744 -8.587 1.810 1.00 0.00 H new ATOM 0 HA THR A 18 8.619 -9.877 3.060 1.00 0.00 H new ATOM 0 HB THR A 18 8.152 -10.545 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.375 -8.905 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.519 -8.188 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.090 -8.554 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.534 -7.579 1.292 1.00 0.00 H new ATOM 273 N GLY A 19 8.663 -12.364 2.546 1.00 0.00 N ATOM 274 CA GLY A 19 8.730 -13.834 2.509 1.00 0.00 C ATOM 275 C GLY A 19 7.489 -14.542 3.064 1.00 0.00 C ATOM 276 O GLY A 19 7.055 -15.545 2.496 1.00 0.00 O ATOM 0 H GLY A 19 7.736 -12.014 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.883 -14.152 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.602 -14.160 3.076 1.00 0.00 H new ATOM 280 N SER A 20 6.877 -13.994 4.121 1.00 0.00 N ATOM 281 CA SER A 20 5.687 -14.556 4.787 1.00 0.00 C ATOM 282 C SER A 20 4.404 -14.546 3.938 1.00 0.00 C ATOM 283 O SER A 20 3.495 -15.346 4.178 1.00 0.00 O ATOM 284 CB SER A 20 5.415 -13.807 6.094 1.00 0.00 C ATOM 285 OG SER A 20 6.555 -13.831 6.943 1.00 0.00 O ATOM 0 H SER A 20 7.200 -13.127 4.550 1.00 0.00 H new ATOM 0 HA SER A 20 5.932 -15.603 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.142 -12.775 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.566 -14.260 6.607 1.00 0.00 H new ATOM 0 HG SER A 20 6.357 -13.345 7.770 1.00 0.00 H new ATOM 291 N ALA A 21 4.329 -13.663 2.932 1.00 0.00 N ATOM 292 CA ALA A 21 3.189 -13.499 2.011 1.00 0.00 C ATOM 293 C ALA A 21 3.583 -13.499 0.515 1.00 0.00 C ATOM 294 O ALA A 21 2.717 -13.394 -0.358 1.00 0.00 O ATOM 295 CB ALA A 21 2.494 -12.189 2.392 1.00 0.00 C ATOM 0 H ALA A 21 5.091 -13.016 2.727 1.00 0.00 H new ATOM 0 HA ALA A 21 2.527 -14.358 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.640 -12.025 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.150 -12.246 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.196 -11.361 2.289 1.00 0.00 H new ATOM 301 N GLY A 22 4.884 -13.595 0.212 1.00 0.00 N ATOM 302 CA GLY A 22 5.445 -13.606 -1.152 1.00 0.00 C ATOM 303 C GLY A 22 5.564 -12.233 -1.832 1.00 0.00 C ATOM 304 O GLY A 22 6.199 -12.124 -2.883 1.00 0.00 O ATOM 0 H GLY A 22 5.603 -13.670 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.435 -14.060 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.823 -14.248 -1.776 1.00 0.00 H new ATOM 308 N LEU A 23 4.977 -11.181 -1.245 1.00 0.00 N ATOM 309 CA LEU A 23 4.945 -9.823 -1.793 1.00 0.00 C ATOM 310 C LEU A 23 4.759 -8.746 -0.710 1.00 0.00 C ATOM 311 O LEU A 23 4.408 -9.059 0.430 1.00 0.00 O ATOM 312 CB LEU A 23 3.857 -9.747 -2.894 1.00 0.00 C ATOM 313 CG LEU A 23 2.380 -9.886 -2.452 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.778 -8.570 -1.943 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.541 -10.332 -3.653 1.00 0.00 C ATOM 0 H LEU A 23 4.497 -11.257 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 23 5.916 -9.607 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.965 -8.792 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.064 -10.528 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 23 2.365 -10.610 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.741 -8.734 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.348 -8.218 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.816 -7.822 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.498 -10.433 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.619 -9.589 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.908 -11.292 -4.017 1.00 0.00 H new ATOM 327 N MET A 24 4.931 -7.482 -1.110 1.00 0.00 N ATOM 328 CA MET A 24 4.597 -6.283 -0.328 1.00 0.00 C ATOM 329 C MET A 24 3.524 -5.473 -1.077 1.00 0.00 C ATOM 330 O MET A 24 3.523 -5.424 -2.308 1.00 0.00 O ATOM 331 CB MET A 24 5.862 -5.424 -0.117 1.00 0.00 C ATOM 332 CG MET A 24 5.708 -4.388 1.004 1.00 0.00 C ATOM 333 SD MET A 24 5.589 -5.129 2.652 1.00 0.00 S ATOM 334 CE MET A 24 5.127 -3.667 3.613 1.00 0.00 C ATOM 0 H MET A 24 5.322 -7.255 -2.024 1.00 0.00 H new ATOM 0 HA MET A 24 4.210 -6.578 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.703 -6.078 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.104 -4.910 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.559 -3.707 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.816 -3.790 0.817 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.941 -3.955 4.648 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.937 -2.938 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.224 -3.225 3.192 1.00 0.00 H new ATOM 344 N LEU A 25 2.644 -4.794 -0.336 1.00 0.00 N ATOM 345 CA LEU A 25 1.690 -3.813 -0.860 1.00 0.00 C ATOM 346 C LEU A 25 2.030 -2.450 -0.233 1.00 0.00 C ATOM 347 O LEU A 25 2.248 -2.377 0.977 1.00 0.00 O ATOM 348 CB LEU A 25 0.256 -4.277 -0.517 1.00 0.00 C ATOM 349 CG LEU A 25 -0.816 -3.941 -1.570 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.170 -4.499 -1.130 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.000 -2.448 -1.844 1.00 0.00 C ATOM 0 H LEU A 25 2.574 -4.915 0.674 1.00 0.00 H new ATOM 0 HA LEU A 25 1.751 -3.721 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.268 -5.357 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.037 -3.826 0.431 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.456 -4.398 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.924 -4.258 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.100 -5.581 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.453 -4.056 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.775 -2.309 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.294 -1.943 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.062 -2.026 -2.205 1.00 0.00 H new ATOM 363 N VAL A 26 2.090 -1.381 -1.023 1.00 0.00 N ATOM 364 CA VAL A 26 2.445 -0.043 -0.521 1.00 0.00 C ATOM 365 C VAL A 26 1.587 1.032 -1.196 1.00 0.00 C ATOM 366 O VAL A 26 1.299 0.950 -2.390 1.00 0.00 O ATOM 367 CB VAL A 26 3.951 0.262 -0.720 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.426 1.528 0.008 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.900 -0.899 -0.391 1.00 0.00 C ATOM 0 H VAL A 26 1.896 -1.410 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 26 2.244 -0.031 0.550 1.00 0.00 H new ATOM 0 HB VAL A 26 4.010 0.431 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.490 1.677 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.869 2.390 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.257 1.417 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.930 -0.587 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.776 -1.185 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.668 -1.751 -1.031 1.00 0.00 H new ATOM 379 N GLU A 27 1.188 2.047 -0.435 1.00 0.00 N ATOM 380 CA GLU A 27 0.441 3.223 -0.881 1.00 0.00 C ATOM 381 C GLU A 27 1.319 4.480 -0.806 1.00 0.00 C ATOM 382 O GLU A 27 1.819 4.856 0.253 1.00 0.00 O ATOM 383 CB GLU A 27 -0.817 3.378 -0.007 1.00 0.00 C ATOM 384 CG GLU A 27 -1.667 4.596 -0.388 1.00 0.00 C ATOM 385 CD GLU A 27 -2.888 4.727 0.539 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.758 5.328 1.634 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.985 4.246 0.160 1.00 0.00 O ATOM 0 H GLU A 27 1.387 2.074 0.565 1.00 0.00 H new ATOM 0 HA GLU A 27 0.141 3.093 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.425 2.477 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.518 3.463 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.061 5.500 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.999 4.503 -1.422 1.00 0.00 H new ATOM 394 N PHE A 28 1.458 5.177 -1.928 1.00 0.00 N ATOM 395 CA PHE A 28 2.185 6.444 -2.025 1.00 0.00 C ATOM 396 C PHE A 28 1.188 7.604 -2.108 1.00 0.00 C ATOM 397 O PHE A 28 0.269 7.585 -2.937 1.00 0.00 O ATOM 398 CB PHE A 28 3.128 6.383 -3.228 1.00 0.00 C ATOM 399 CG PHE A 28 4.122 5.232 -3.174 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.351 5.386 -2.501 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.813 3.998 -3.782 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.249 4.311 -2.417 1.00 0.00 C ATOM 403 CE2 PHE A 28 4.707 2.911 -3.683 1.00 0.00 C ATOM 404 CZ PHE A 28 5.925 3.072 -3.002 1.00 0.00 C ATOM 0 H PHE A 28 1.061 4.873 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 28 2.794 6.614 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.535 6.296 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.677 7.322 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.602 6.334 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.887 3.884 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.191 4.434 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.456 1.960 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.614 2.244 -2.927 1.00 0.00 H new ATOM 414 N PHE A 29 1.334 8.592 -1.217 1.00 0.00 N ATOM 415 CA PHE A 29 0.344 9.657 -0.995 1.00 0.00 C ATOM 416 C PHE A 29 0.978 10.968 -0.484 1.00 0.00 C ATOM 417 O PHE A 29 2.198 11.062 -0.388 1.00 0.00 O ATOM 418 CB PHE A 29 -0.717 9.089 -0.028 1.00 0.00 C ATOM 419 CG PHE A 29 -2.000 9.891 0.138 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.717 10.354 -0.983 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.503 10.133 1.428 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.923 11.049 -0.811 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.710 10.832 1.601 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.424 11.280 0.479 1.00 0.00 C ATOM 0 H PHE A 29 2.156 8.677 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.120 9.941 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.984 8.089 -0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.256 8.979 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.337 10.173 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.959 9.780 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.467 11.407 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.087 11.024 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.360 11.803 0.609 1.00 0.00 H new ATOM 434 N ALA A 30 0.173 11.985 -0.173 1.00 0.00 N ATOM 435 CA ALA A 30 0.621 13.214 0.497 1.00 0.00 C ATOM 436 C ALA A 30 -0.517 13.783 1.373 1.00 0.00 C ATOM 437 O ALA A 30 -1.679 13.737 0.959 1.00 0.00 O ATOM 438 CB ALA A 30 1.046 14.233 -0.571 1.00 0.00 C ATOM 0 H ALA A 30 -0.825 11.981 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 30 1.470 12.997 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.381 15.150 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.860 13.819 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.199 14.454 -1.220 1.00 0.00 H new ATOM 444 N PRO A 31 -0.217 14.380 2.547 1.00 0.00 N ATOM 445 CA PRO A 31 -1.227 14.859 3.502 1.00 0.00 C ATOM 446 C PRO A 31 -2.016 16.104 3.049 1.00 0.00 C ATOM 447 O PRO A 31 -3.022 16.456 3.668 1.00 0.00 O ATOM 448 CB PRO A 31 -0.449 15.134 4.798 1.00 0.00 C ATOM 449 CG PRO A 31 0.945 15.502 4.294 1.00 0.00 C ATOM 450 CD PRO A 31 1.120 14.588 3.078 1.00 0.00 C ATOM 0 HA PRO A 31 -2.005 14.105 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.897 15.945 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.425 14.259 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.011 16.555 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.709 15.320 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.770 15.047 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.580 13.642 3.362 1.00 0.00 H new ATOM 458 N TRP A 32 -1.594 16.767 1.970 1.00 0.00 N ATOM 459 CA TRP A 32 -2.195 18.006 1.447 1.00 0.00 C ATOM 460 C TRP A 32 -3.359 17.781 0.460 1.00 0.00 C ATOM 461 O TRP A 32 -3.964 18.746 -0.015 1.00 0.00 O ATOM 462 CB TRP A 32 -1.094 18.854 0.787 1.00 0.00 C ATOM 463 CG TRP A 32 0.199 18.961 1.544 1.00 0.00 C ATOM 464 CD1 TRP A 32 1.420 18.776 0.998 1.00 0.00 C ATOM 465 CD2 TRP A 32 0.438 19.216 2.968 1.00 0.00 C ATOM 466 NE1 TRP A 32 2.392 18.909 1.970 1.00 0.00 N ATOM 467 CE2 TRP A 32 1.845 19.165 3.209 1.00 0.00 C ATOM 468 CE3 TRP A 32 -0.383 19.464 4.092 1.00 0.00 C ATOM 469 CZ2 TRP A 32 2.405 19.330 4.485 1.00 0.00 C ATOM 470 CZ3 TRP A 32 0.167 19.638 5.380 1.00 0.00 C ATOM 471 CH2 TRP A 32 1.556 19.566 5.580 1.00 0.00 C ATOM 0 H TRP A 32 -0.799 16.450 1.415 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.635 18.526 2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.882 18.436 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.484 19.860 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.608 18.557 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.393 18.828 1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.454 19.522 3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.475 19.276 4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.485 19.828 6.219 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.969 19.691 6.570 1.00 0.00 H new ATOM 482 N CYS A 33 -3.691 16.523 0.133 1.00 0.00 N ATOM 483 CA CYS A 33 -4.699 16.178 -0.889 1.00 0.00 C ATOM 484 C CYS A 33 -6.154 16.540 -0.515 1.00 0.00 C ATOM 485 O CYS A 33 -7.034 16.504 -1.378 1.00 0.00 O ATOM 486 CB CYS A 33 -4.598 14.679 -1.221 1.00 0.00 C ATOM 487 SG CYS A 33 -2.966 14.278 -1.910 1.00 0.00 S ATOM 0 H CYS A 33 -3.265 15.707 0.573 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.465 16.791 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.772 14.090 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.376 14.407 -1.935 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.145 13.992 -0.943 1.00 0.00 H new ATOM 493 N GLY A 34 -6.446 16.845 0.757 1.00 0.00 N ATOM 494 CA GLY A 34 -7.775 17.211 1.279 1.00 0.00 C ATOM 495 C GLY A 34 -8.731 16.027 1.487 1.00 0.00 C ATOM 496 O GLY A 34 -9.418 15.947 2.506 1.00 0.00 O ATOM 0 H GLY A 34 -5.732 16.844 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.647 17.728 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.238 17.918 0.591 1.00 0.00 H new ATOM 500 N HIS A 35 -8.716 15.057 0.572 1.00 0.00 N ATOM 501 CA HIS A 35 -9.416 13.766 0.672 1.00 0.00 C ATOM 502 C HIS A 35 -8.778 12.782 1.673 1.00 0.00 C ATOM 503 O HIS A 35 -9.283 11.672 1.851 1.00 0.00 O ATOM 504 CB HIS A 35 -9.490 13.155 -0.736 1.00 0.00 C ATOM 505 CG HIS A 35 -10.188 14.044 -1.741 1.00 0.00 C ATOM 506 ND1 HIS A 35 -9.646 14.520 -2.911 1.00 0.00 N ATOM 507 CD2 HIS A 35 -11.461 14.543 -1.657 1.00 0.00 C ATOM 508 CE1 HIS A 35 -10.561 15.292 -3.522 1.00 0.00 C ATOM 509 NE2 HIS A 35 -11.694 15.334 -2.792 1.00 0.00 N ATOM 0 H HIS A 35 -8.194 15.149 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.413 13.954 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.479 12.946 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.012 12.200 -0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.163 14.360 -0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.411 15.804 -4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.550 15.840 -3.020 1.00 0.00 H new ATOM 517 N CYS A 36 -7.693 13.174 2.349 1.00 0.00 N ATOM 518 CA CYS A 36 -6.924 12.354 3.301 1.00 0.00 C ATOM 519 C CYS A 36 -7.799 11.756 4.413 1.00 0.00 C ATOM 520 O CYS A 36 -7.676 10.580 4.750 1.00 0.00 O ATOM 521 CB CYS A 36 -5.814 13.237 3.901 1.00 0.00 C ATOM 522 SG CYS A 36 -4.902 14.109 2.593 1.00 0.00 S ATOM 0 H CYS A 36 -7.307 14.112 2.245 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.499 11.505 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.251 13.960 4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.127 12.621 4.480 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.514 13.256 1.692 1.00 0.00 H new ATOM 528 N LYS A 37 -8.754 12.551 4.902 1.00 0.00 N ATOM 529 CA LYS A 37 -9.800 12.180 5.874 1.00 0.00 C ATOM 530 C LYS A 37 -10.638 10.948 5.489 1.00 0.00 C ATOM 531 O LYS A 37 -11.076 10.196 6.358 1.00 0.00 O ATOM 532 CB LYS A 37 -10.687 13.416 6.096 1.00 0.00 C ATOM 533 CG LYS A 37 -11.481 13.880 4.858 1.00 0.00 C ATOM 534 CD LYS A 37 -12.023 15.302 5.033 1.00 0.00 C ATOM 535 CE LYS A 37 -12.810 15.727 3.793 1.00 0.00 C ATOM 536 NZ LYS A 37 -13.346 17.109 3.932 1.00 0.00 N ATOM 0 H LYS A 37 -8.827 13.528 4.618 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.303 11.873 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.391 13.200 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.058 14.239 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.839 13.841 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.309 13.194 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.665 15.348 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.198 15.994 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.165 15.673 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.633 15.032 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.874 17.365 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.980 17.154 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.558 17.775 4.065 1.00 0.00 H new ATOM 550 N ARG A 38 -10.845 10.739 4.181 1.00 0.00 N ATOM 551 CA ARG A 38 -11.629 9.627 3.603 1.00 0.00 C ATOM 552 C ARG A 38 -10.805 8.361 3.356 1.00 0.00 C ATOM 553 O ARG A 38 -11.383 7.278 3.271 1.00 0.00 O ATOM 554 CB ARG A 38 -12.271 10.055 2.270 1.00 0.00 C ATOM 555 CG ARG A 38 -13.058 11.374 2.334 1.00 0.00 C ATOM 556 CD ARG A 38 -13.967 11.588 1.116 1.00 0.00 C ATOM 557 NE ARG A 38 -13.229 11.540 -0.167 1.00 0.00 N ATOM 558 CZ ARG A 38 -13.753 11.701 -1.371 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.007 12.013 -1.552 1.00 0.00 N ATOM 560 NH2 ARG A 38 -13.013 11.557 -2.437 1.00 0.00 N ATOM 0 H ARG A 38 -10.460 11.358 3.468 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.391 9.390 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.487 10.151 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.941 9.263 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.664 11.386 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.357 12.206 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.745 10.825 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.467 12.552 1.206 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.225 11.367 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.622 12.142 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.373 12.128 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.025 11.319 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.422 11.682 -3.363 1.00 0.00 H new ATOM 574 N LEU A 39 -9.474 8.480 3.252 1.00 0.00 N ATOM 575 CA LEU A 39 -8.565 7.389 2.860 1.00 0.00 C ATOM 576 C LEU A 39 -7.710 6.867 4.025 1.00 0.00 C ATOM 577 O LEU A 39 -7.450 5.665 4.108 1.00 0.00 O ATOM 578 CB LEU A 39 -7.685 7.901 1.706 1.00 0.00 C ATOM 579 CG LEU A 39 -6.772 6.831 1.076 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.565 5.748 0.341 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.840 7.510 0.072 1.00 0.00 C ATOM 0 H LEU A 39 -8.987 9.356 3.442 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.161 6.534 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.329 8.314 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.065 8.719 2.074 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.217 6.354 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.876 5.018 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.235 5.249 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.150 6.204 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.188 6.764 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.432 7.994 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.234 8.257 0.585 1.00 0.00 H new ATOM 593 N ALA A 40 -7.317 7.739 4.959 1.00 0.00 N ATOM 594 CA ALA A 40 -6.542 7.371 6.144 1.00 0.00 C ATOM 595 C ALA A 40 -7.161 6.227 6.985 1.00 0.00 C ATOM 596 O ALA A 40 -6.416 5.291 7.307 1.00 0.00 O ATOM 597 CB ALA A 40 -6.285 8.633 6.980 1.00 0.00 C ATOM 0 H ALA A 40 -7.533 8.735 4.910 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.595 6.955 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.708 8.371 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.728 9.356 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.237 9.069 7.283 1.00 0.00 H new ATOM 603 N PRO A 41 -8.483 6.212 7.297 1.00 0.00 N ATOM 604 CA PRO A 41 -9.089 5.112 8.050 1.00 0.00 C ATOM 605 C PRO A 41 -9.323 3.850 7.201 1.00 0.00 C ATOM 606 O PRO A 41 -9.580 2.785 7.757 1.00 0.00 O ATOM 607 CB PRO A 41 -10.414 5.670 8.582 1.00 0.00 C ATOM 608 CG PRO A 41 -10.817 6.679 7.515 1.00 0.00 C ATOM 609 CD PRO A 41 -9.480 7.252 7.055 1.00 0.00 C ATOM 0 HA PRO A 41 -8.421 4.785 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.163 4.887 8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.290 6.142 9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.355 6.204 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.469 7.453 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.514 7.519 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.236 8.160 7.606 1.00 0.00 H new ATOM 617 N GLU A 42 -9.245 3.932 5.866 1.00 0.00 N ATOM 618 CA GLU A 42 -9.507 2.790 4.980 1.00 0.00 C ATOM 619 C GLU A 42 -8.292 1.868 4.840 1.00 0.00 C ATOM 620 O GLU A 42 -8.419 0.645 4.910 1.00 0.00 O ATOM 621 CB GLU A 42 -9.934 3.288 3.589 1.00 0.00 C ATOM 622 CG GLU A 42 -11.308 3.969 3.596 1.00 0.00 C ATOM 623 CD GLU A 42 -12.442 3.011 3.999 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.520 1.905 3.416 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.265 3.359 4.880 1.00 0.00 O ATOM 0 H GLU A 42 -8.999 4.789 5.371 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.311 2.212 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.188 3.989 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.955 2.446 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.288 4.812 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.514 4.373 2.605 1.00 0.00 H new ATOM 632 N TYR A 43 -7.094 2.429 4.663 1.00 0.00 N ATOM 633 CA TYR A 43 -5.895 1.618 4.450 1.00 0.00 C ATOM 634 C TYR A 43 -5.426 0.899 5.738 1.00 0.00 C ATOM 635 O TYR A 43 -4.950 -0.238 5.682 1.00 0.00 O ATOM 636 CB TYR A 43 -4.797 2.489 3.827 1.00 0.00 C ATOM 637 CG TYR A 43 -3.691 1.705 3.146 1.00 0.00 C ATOM 638 CD1 TYR A 43 -3.942 1.054 1.921 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.413 1.649 3.724 1.00 0.00 C ATOM 640 CE1 TYR A 43 -2.908 0.352 1.268 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.382 0.940 3.082 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.621 0.301 1.847 1.00 0.00 C ATOM 643 OH TYR A 43 -0.605 -0.350 1.220 1.00 0.00 O ATOM 0 H TYR A 43 -6.929 3.436 4.663 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.138 0.816 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.252 3.161 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.358 3.113 4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.928 1.093 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.222 2.150 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.100 -0.145 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.404 0.884 3.536 1.00 0.00 H new ATOM 0 HH TYR A 43 0.245 0.087 1.435 1.00 0.00 H new ATOM 653 N GLU A 44 -5.635 1.499 6.919 1.00 0.00 N ATOM 654 CA GLU A 44 -5.428 0.815 8.208 1.00 0.00 C ATOM 655 C GLU A 44 -6.443 -0.304 8.470 1.00 0.00 C ATOM 656 O GLU A 44 -6.111 -1.343 9.047 1.00 0.00 O ATOM 657 CB GLU A 44 -5.386 1.828 9.363 1.00 0.00 C ATOM 658 CG GLU A 44 -6.719 2.494 9.706 1.00 0.00 C ATOM 659 CD GLU A 44 -6.584 3.402 10.940 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.084 4.544 10.809 1.00 0.00 O ATOM 661 OE2 GLU A 44 -6.968 2.976 12.054 1.00 0.00 O ATOM 0 H GLU A 44 -5.950 2.465 7.010 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.458 0.322 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.014 1.322 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.665 2.606 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.065 3.081 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.473 1.730 9.894 1.00 0.00 H new ATOM 668 N ALA A 45 -7.678 -0.134 7.989 1.00 0.00 N ATOM 669 CA ALA A 45 -8.690 -1.192 8.005 1.00 0.00 C ATOM 670 C ALA A 45 -8.291 -2.346 7.064 1.00 0.00 C ATOM 671 O ALA A 45 -8.342 -3.501 7.489 1.00 0.00 O ATOM 672 CB ALA A 45 -10.064 -0.600 7.680 1.00 0.00 C ATOM 0 H ALA A 45 -8.003 0.741 7.578 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.753 -1.624 9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.813 -1.391 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.320 0.155 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.038 -0.141 6.692 1.00 0.00 H new ATOM 678 N ALA A 46 -7.775 -2.071 5.861 1.00 0.00 N ATOM 679 CA ALA A 46 -7.220 -3.105 4.979 1.00 0.00 C ATOM 680 C ALA A 46 -6.082 -3.899 5.646 1.00 0.00 C ATOM 681 O ALA A 46 -6.062 -5.127 5.587 1.00 0.00 O ATOM 682 CB ALA A 46 -6.716 -2.458 3.684 1.00 0.00 C ATOM 0 H ALA A 46 -7.730 -1.129 5.472 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.019 -3.813 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.304 -3.226 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.544 -1.958 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.941 -1.728 3.919 1.00 0.00 H new ATOM 688 N ALA A 47 -5.164 -3.208 6.328 1.00 0.00 N ATOM 689 CA ALA A 47 -4.044 -3.832 7.042 1.00 0.00 C ATOM 690 C ALA A 47 -4.503 -4.669 8.253 1.00 0.00 C ATOM 691 O ALA A 47 -3.880 -5.675 8.586 1.00 0.00 O ATOM 692 CB ALA A 47 -3.065 -2.734 7.470 1.00 0.00 C ATOM 0 H ALA A 47 -5.177 -2.191 6.401 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.551 -4.532 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.226 -3.182 8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.697 -2.211 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.575 -2.027 8.125 1.00 0.00 H new ATOM 698 N THR A 48 -5.624 -4.293 8.875 1.00 0.00 N ATOM 699 CA THR A 48 -6.291 -5.057 9.945 1.00 0.00 C ATOM 700 C THR A 48 -6.994 -6.301 9.379 1.00 0.00 C ATOM 701 O THR A 48 -6.867 -7.388 9.944 1.00 0.00 O ATOM 702 CB THR A 48 -7.303 -4.174 10.691 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.679 -3.001 11.179 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.932 -4.868 11.906 1.00 0.00 C ATOM 0 H THR A 48 -6.110 -3.426 8.645 1.00 0.00 H new ATOM 0 HA THR A 48 -5.525 -5.384 10.648 1.00 0.00 H new ATOM 0 HB THR A 48 -8.079 -3.951 9.958 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.485 -2.398 10.431 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.637 -4.190 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.457 -5.766 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.150 -5.141 12.614 1.00 0.00 H new ATOM 712 N ARG A 49 -7.712 -6.178 8.246 1.00 0.00 N ATOM 713 CA ARG A 49 -8.439 -7.291 7.595 1.00 0.00 C ATOM 714 C ARG A 49 -7.524 -8.307 6.899 1.00 0.00 C ATOM 715 O ARG A 49 -7.892 -9.476 6.784 1.00 0.00 O ATOM 716 CB ARG A 49 -9.465 -6.734 6.592 1.00 0.00 C ATOM 717 CG ARG A 49 -10.630 -5.956 7.230 1.00 0.00 C ATOM 718 CD ARG A 49 -11.403 -6.767 8.274 1.00 0.00 C ATOM 719 NE ARG A 49 -12.623 -6.056 8.717 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.446 -6.436 9.678 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.271 -7.542 10.354 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.474 -5.704 9.991 1.00 0.00 N ATOM 0 H ARG A 49 -7.806 -5.292 7.749 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.944 -7.833 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.949 -6.078 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.873 -7.562 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.240 -5.052 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.317 -5.638 6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.677 -7.735 7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.761 -6.962 9.133 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.851 -5.188 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.476 -8.146 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.930 -7.800 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.649 -4.831 9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.106 -6.003 10.734 1.00 0.00 H new ATOM 736 N LEU A 50 -6.333 -7.875 6.475 1.00 0.00 N ATOM 737 CA LEU A 50 -5.305 -8.702 5.821 1.00 0.00 C ATOM 738 C LEU A 50 -4.098 -8.988 6.738 1.00 0.00 C ATOM 739 O LEU A 50 -3.045 -9.413 6.261 1.00 0.00 O ATOM 740 CB LEU A 50 -4.886 -8.031 4.491 1.00 0.00 C ATOM 741 CG LEU A 50 -6.028 -7.804 3.480 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.484 -7.145 2.212 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.725 -9.115 3.087 1.00 0.00 C ATOM 0 H LEU A 50 -6.044 -6.903 6.580 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.734 -9.680 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.426 -7.069 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.121 -8.646 4.018 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.757 -7.157 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.299 -6.989 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.035 -6.185 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.730 -7.791 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.522 -8.904 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.000 -9.790 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.149 -9.583 3.976 1.00 0.00 H new ATOM 755 N LYS A 51 -4.235 -8.782 8.056 1.00 0.00 N ATOM 756 CA LYS A 51 -3.218 -9.101 9.075 1.00 0.00 C ATOM 757 C LYS A 51 -2.829 -10.585 9.018 1.00 0.00 C ATOM 758 O LYS A 51 -3.679 -11.459 9.204 1.00 0.00 O ATOM 759 CB LYS A 51 -3.770 -8.701 10.450 1.00 0.00 C ATOM 760 CG LYS A 51 -2.725 -8.843 11.571 1.00 0.00 C ATOM 761 CD LYS A 51 -3.235 -8.338 12.927 1.00 0.00 C ATOM 762 CE LYS A 51 -4.426 -9.154 13.446 1.00 0.00 C ATOM 763 NZ LYS A 51 -4.849 -8.706 14.799 1.00 0.00 N ATOM 0 H LYS A 51 -5.081 -8.377 8.457 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.304 -8.539 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.118 -7.669 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.635 -9.321 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.438 -9.890 11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.827 -8.289 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.425 -8.380 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.527 -7.292 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.262 -9.059 12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.157 -10.210 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.656 -9.279 15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.059 -8.820 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.129 -7.705 14.762 1.00 0.00 H new ATOM 777 N GLY A 52 -1.560 -10.869 8.714 1.00 0.00 N ATOM 778 CA GLY A 52 -1.046 -12.229 8.484 1.00 0.00 C ATOM 779 C GLY A 52 -1.391 -12.825 7.106 1.00 0.00 C ATOM 780 O GLY A 52 -1.164 -14.019 6.890 1.00 0.00 O ATOM 0 H GLY A 52 -0.844 -10.149 8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.038 -12.217 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.440 -12.887 9.258 1.00 0.00 H new ATOM 784 N ILE A 53 -1.934 -12.014 6.183 1.00 0.00 N ATOM 785 CA ILE A 53 -2.352 -12.419 4.823 1.00 0.00 C ATOM 786 C ILE A 53 -1.596 -11.591 3.760 1.00 0.00 C ATOM 787 O ILE A 53 -1.028 -12.173 2.834 1.00 0.00 O ATOM 788 CB ILE A 53 -3.890 -12.292 4.651 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.670 -12.957 5.811 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.333 -12.882 3.296 1.00 0.00 C ATOM 791 CD1 ILE A 53 -6.197 -12.882 5.696 1.00 0.00 C ATOM 0 H ILE A 53 -2.101 -11.024 6.365 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.095 -13.469 4.681 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.127 -11.228 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.377 -14.005 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.368 -12.487 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.414 -12.784 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.841 -12.343 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.058 -13.936 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.651 -13.375 6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.509 -11.838 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.518 -13.379 4.781 1.00 0.00 H new ATOM 803 N VAL A 54 -1.514 -10.261 3.928 1.00 0.00 N ATOM 804 CA VAL A 54 -0.735 -9.341 3.074 1.00 0.00 C ATOM 805 C VAL A 54 -0.177 -8.182 3.929 1.00 0.00 C ATOM 806 O VAL A 54 -0.967 -7.489 4.579 1.00 0.00 O ATOM 807 CB VAL A 54 -1.587 -8.733 1.931 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.687 -8.017 0.918 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.416 -9.764 1.153 1.00 0.00 C ATOM 0 H VAL A 54 -2.001 -9.779 4.683 1.00 0.00 H new ATOM 0 HA VAL A 54 0.071 -9.926 2.630 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.274 -8.046 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.300 -7.595 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.141 -7.217 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.021 -8.729 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.984 -9.259 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.751 -10.500 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.103 -10.266 1.834 1.00 0.00 H new ATOM 819 N PRO A 55 1.148 -7.935 3.949 1.00 0.00 N ATOM 820 CA PRO A 55 1.733 -6.765 4.605 1.00 0.00 C ATOM 821 C PRO A 55 1.539 -5.483 3.768 1.00 0.00 C ATOM 822 O PRO A 55 1.707 -5.498 2.544 1.00 0.00 O ATOM 823 CB PRO A 55 3.217 -7.113 4.777 1.00 0.00 C ATOM 824 CG PRO A 55 3.511 -8.017 3.578 1.00 0.00 C ATOM 825 CD PRO A 55 2.194 -8.758 3.359 1.00 0.00 C ATOM 0 HA PRO A 55 1.253 -6.552 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.842 -6.220 4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.403 -7.625 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.797 -7.438 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.330 -8.706 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.010 -8.914 2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.222 -9.743 3.826 1.00 0.00 H new ATOM 833 N LEU A 56 1.211 -4.371 4.439 1.00 0.00 N ATOM 834 CA LEU A 56 0.820 -3.082 3.839 1.00 0.00 C ATOM 835 C LEU A 56 1.691 -1.937 4.384 1.00 0.00 C ATOM 836 O LEU A 56 1.957 -1.883 5.590 1.00 0.00 O ATOM 837 CB LEU A 56 -0.668 -2.797 4.144 1.00 0.00 C ATOM 838 CG LEU A 56 -1.660 -3.179 3.033 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.771 -4.678 2.786 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.048 -2.666 3.401 1.00 0.00 C ATOM 0 H LEU A 56 1.210 -4.341 5.459 1.00 0.00 H new ATOM 0 HA LEU A 56 0.968 -3.143 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.943 -3.333 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.780 -1.734 4.356 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.275 -2.724 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.490 -4.863 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.797 -5.072 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.105 -5.173 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.755 -2.934 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.364 -3.115 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.019 -1.582 3.508 1.00 0.00 H new ATOM 852 N ALA A 57 2.087 -0.985 3.531 1.00 0.00 N ATOM 853 CA ALA A 57 2.911 0.165 3.919 1.00 0.00 C ATOM 854 C ALA A 57 2.484 1.482 3.260 1.00 0.00 C ATOM 855 O ALA A 57 1.726 1.489 2.290 1.00 0.00 O ATOM 856 CB ALA A 57 4.359 -0.133 3.528 1.00 0.00 C ATOM 0 H ALA A 57 1.841 -0.992 2.541 1.00 0.00 H new ATOM 0 HA ALA A 57 2.790 0.301 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.992 0.709 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.699 -1.030 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.420 -0.292 2.451 1.00 0.00 H new ATOM 862 N LYS A 58 3.025 2.608 3.736 1.00 0.00 N ATOM 863 CA LYS A 58 2.903 3.907 3.059 1.00 0.00 C ATOM 864 C LYS A 58 4.115 4.825 3.239 1.00 0.00 C ATOM 865 O LYS A 58 4.855 4.718 4.215 1.00 0.00 O ATOM 866 CB LYS A 58 1.585 4.614 3.429 1.00 0.00 C ATOM 867 CG LYS A 58 1.434 4.986 4.913 1.00 0.00 C ATOM 868 CD LYS A 58 0.190 5.855 5.164 1.00 0.00 C ATOM 869 CE LYS A 58 -1.113 5.187 4.693 1.00 0.00 C ATOM 870 NZ LYS A 58 -2.276 6.101 4.830 1.00 0.00 N ATOM 0 H LYS A 58 3.561 2.646 4.603 1.00 0.00 H new ATOM 0 HA LYS A 58 2.878 3.679 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.499 5.523 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.754 3.968 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.368 4.076 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.324 5.521 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.115 6.074 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.310 6.809 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.010 4.881 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.290 4.282 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.137 5.618 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.388 6.373 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.118 6.953 4.255 1.00 0.00 H new ATOM 884 N VAL A 59 4.261 5.753 2.284 1.00 0.00 N ATOM 885 CA VAL A 59 5.310 6.792 2.217 1.00 0.00 C ATOM 886 C VAL A 59 4.687 8.089 1.692 1.00 0.00 C ATOM 887 O VAL A 59 3.946 8.076 0.704 1.00 0.00 O ATOM 888 CB VAL A 59 6.472 6.350 1.293 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.573 7.422 1.222 1.00 0.00 C ATOM 890 CG2 VAL A 59 7.127 5.042 1.764 1.00 0.00 C ATOM 0 H VAL A 59 3.619 5.806 1.493 1.00 0.00 H new ATOM 0 HA VAL A 59 5.719 6.950 3.215 1.00 0.00 H new ATOM 0 HB VAL A 59 6.023 6.200 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.373 7.079 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.154 8.349 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.974 7.599 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.935 4.774 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.528 5.177 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.383 4.246 1.774 1.00 0.00 H new ATOM 900 N ASP A 60 4.980 9.214 2.348 1.00 0.00 N ATOM 901 CA ASP A 60 4.463 10.536 1.961 1.00 0.00 C ATOM 902 C ASP A 60 5.393 11.236 0.954 1.00 0.00 C ATOM 903 O ASP A 60 6.516 11.624 1.280 1.00 0.00 O ATOM 904 CB ASP A 60 4.252 11.410 3.207 1.00 0.00 C ATOM 905 CG ASP A 60 3.118 10.865 4.084 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.936 10.957 3.673 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.404 10.368 5.201 1.00 0.00 O ATOM 0 H ASP A 60 5.586 9.237 3.168 1.00 0.00 H new ATOM 0 HA ASP A 60 3.502 10.389 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.175 11.451 3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.021 12.431 2.903 1.00 0.00 H new ATOM 912 N CYS A 61 4.934 11.440 -0.284 1.00 0.00 N ATOM 913 CA CYS A 61 5.713 12.065 -1.352 1.00 0.00 C ATOM 914 C CYS A 61 6.087 13.541 -1.112 1.00 0.00 C ATOM 915 O CYS A 61 7.065 14.014 -1.691 1.00 0.00 O ATOM 916 CB CYS A 61 4.947 11.897 -2.666 1.00 0.00 C ATOM 917 SG CYS A 61 4.622 10.176 -3.113 1.00 0.00 S ATOM 0 H CYS A 61 3.994 11.170 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 61 6.675 11.554 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.998 12.428 -2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.514 12.369 -3.468 1.00 0.00 H new ATOM 922 N THR A 62 5.370 14.272 -0.247 1.00 0.00 N ATOM 923 CA THR A 62 5.805 15.617 0.189 1.00 0.00 C ATOM 924 C THR A 62 7.032 15.551 1.114 1.00 0.00 C ATOM 925 O THR A 62 7.887 16.439 1.095 1.00 0.00 O ATOM 926 CB THR A 62 4.648 16.386 0.858 1.00 0.00 C ATOM 927 OG1 THR A 62 4.947 17.762 0.966 1.00 0.00 O ATOM 928 CG2 THR A 62 4.305 15.898 2.270 1.00 0.00 C ATOM 0 H THR A 62 4.490 13.962 0.166 1.00 0.00 H new ATOM 0 HA THR A 62 6.103 16.164 -0.705 1.00 0.00 H new ATOM 0 HB THR A 62 3.794 16.204 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.248 17.961 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.482 16.490 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.012 14.849 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.177 16.007 2.915 1.00 0.00 H new ATOM 936 N ALA A 63 7.146 14.473 1.900 1.00 0.00 N ATOM 937 CA ALA A 63 8.279 14.221 2.794 1.00 0.00 C ATOM 938 C ALA A 63 9.477 13.585 2.059 1.00 0.00 C ATOM 939 O ALA A 63 10.625 13.934 2.347 1.00 0.00 O ATOM 940 CB ALA A 63 7.801 13.334 3.950 1.00 0.00 C ATOM 0 H ALA A 63 6.439 13.739 1.932 1.00 0.00 H new ATOM 0 HA ALA A 63 8.638 15.174 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.633 13.137 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.005 13.843 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.424 12.391 3.553 1.00 0.00 H new ATOM 946 N ASN A 64 9.220 12.698 1.085 1.00 0.00 N ATOM 947 CA ASN A 64 10.233 12.015 0.272 1.00 0.00 C ATOM 948 C ASN A 64 9.865 11.997 -1.223 1.00 0.00 C ATOM 949 O ASN A 64 9.350 11.023 -1.781 1.00 0.00 O ATOM 950 CB ASN A 64 10.499 10.599 0.799 1.00 0.00 C ATOM 951 CG ASN A 64 10.917 10.524 2.260 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.225 9.962 3.100 1.00 0.00 O ATOM 953 ND2 ASN A 64 12.069 11.049 2.620 1.00 0.00 N ATOM 0 H ASN A 64 8.268 12.429 0.835 1.00 0.00 H new ATOM 0 HA ASN A 64 11.156 12.588 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.597 10.002 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.279 10.141 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.377 10.986 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.653 11.519 1.929 1.00 0.00 H new ATOM 960 N THR A 65 10.138 13.126 -1.870 1.00 0.00 N ATOM 961 CA THR A 65 9.721 13.409 -3.256 1.00 0.00 C ATOM 962 C THR A 65 10.593 12.688 -4.279 1.00 0.00 C ATOM 963 O THR A 65 10.073 12.120 -5.240 1.00 0.00 O ATOM 964 CB THR A 65 9.722 14.925 -3.525 1.00 0.00 C ATOM 965 OG1 THR A 65 9.097 15.626 -2.473 1.00 0.00 O ATOM 966 CG2 THR A 65 8.983 15.300 -4.806 1.00 0.00 C ATOM 0 H THR A 65 10.665 13.889 -1.445 1.00 0.00 H new ATOM 0 HA THR A 65 8.706 13.029 -3.368 1.00 0.00 H new ATOM 0 HB THR A 65 10.773 15.199 -3.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.342 15.102 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.017 16.381 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.458 14.811 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.945 14.976 -4.735 1.00 0.00 H new ATOM 974 N ASN A 66 11.906 12.633 -4.054 1.00 0.00 N ATOM 975 CA ASN A 66 12.846 11.934 -4.944 1.00 0.00 C ATOM 976 C ASN A 66 12.579 10.422 -4.945 1.00 0.00 C ATOM 977 O ASN A 66 12.562 9.801 -6.004 1.00 0.00 O ATOM 978 CB ASN A 66 14.289 12.254 -4.514 1.00 0.00 C ATOM 979 CG ASN A 66 14.687 13.699 -4.778 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.368 14.281 -5.804 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.377 14.332 -3.857 1.00 0.00 N ATOM 0 H ASN A 66 12.353 13.071 -3.249 1.00 0.00 H new ATOM 0 HA ASN A 66 12.702 12.283 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.400 12.042 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.974 11.593 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.645 15.306 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.645 13.850 -2.999 1.00 0.00 H new ATOM 988 N THR A 67 12.269 9.855 -3.772 1.00 0.00 N ATOM 989 CA THR A 67 11.847 8.455 -3.600 1.00 0.00 C ATOM 990 C THR A 67 10.555 8.169 -4.374 1.00 0.00 C ATOM 991 O THR A 67 10.484 7.185 -5.107 1.00 0.00 O ATOM 992 CB THR A 67 11.634 8.125 -2.109 1.00 0.00 C ATOM 993 OG1 THR A 67 12.712 8.614 -1.348 1.00 0.00 O ATOM 994 CG2 THR A 67 11.513 6.631 -1.824 1.00 0.00 C ATOM 0 H THR A 67 12.305 10.369 -2.892 1.00 0.00 H new ATOM 0 HA THR A 67 12.643 7.824 -3.996 1.00 0.00 H new ATOM 0 HB THR A 67 10.693 8.602 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.311 7.874 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.365 6.475 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.663 6.224 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.425 6.125 -2.141 1.00 0.00 H new ATOM 1002 N CYS A 68 9.560 9.059 -4.295 1.00 0.00 N ATOM 1003 CA CYS A 68 8.311 8.914 -5.052 1.00 0.00 C ATOM 1004 C CYS A 68 8.488 9.103 -6.570 1.00 0.00 C ATOM 1005 O CYS A 68 7.863 8.387 -7.347 1.00 0.00 O ATOM 1006 CB CYS A 68 7.267 9.886 -4.497 1.00 0.00 C ATOM 1007 SG CYS A 68 6.443 9.270 -3.010 1.00 0.00 S ATOM 0 H CYS A 68 9.596 9.894 -3.710 1.00 0.00 H new ATOM 0 HA CYS A 68 7.971 7.887 -4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.749 10.837 -4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.519 10.083 -5.265 1.00 0.00 H new ATOM 1012 N ASN A 69 9.362 10.012 -7.008 1.00 0.00 N ATOM 1013 CA ASN A 69 9.637 10.216 -8.442 1.00 0.00 C ATOM 1014 C ASN A 69 10.429 9.042 -9.050 1.00 0.00 C ATOM 1015 O ASN A 69 10.160 8.649 -10.189 1.00 0.00 O ATOM 1016 CB ASN A 69 10.341 11.566 -8.657 1.00 0.00 C ATOM 1017 CG ASN A 69 9.344 12.707 -8.685 1.00 0.00 C ATOM 1018 OD1 ASN A 69 9.148 13.378 -9.691 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.645 12.935 -7.599 1.00 0.00 N ATOM 0 H ASN A 69 9.896 10.624 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 69 8.686 10.243 -8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.065 11.732 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.898 11.543 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.939 13.671 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.808 12.377 -6.761 1.00 0.00 H new ATOM 1026 N LYS A 70 11.335 8.424 -8.278 1.00 0.00 N ATOM 1027 CA LYS A 70 12.007 7.162 -8.630 1.00 0.00 C ATOM 1028 C LYS A 70 11.027 5.986 -8.754 1.00 0.00 C ATOM 1029 O LYS A 70 11.284 5.057 -9.525 1.00 0.00 O ATOM 1030 CB LYS A 70 13.108 6.892 -7.587 1.00 0.00 C ATOM 1031 CG LYS A 70 14.027 5.723 -7.974 1.00 0.00 C ATOM 1032 CD LYS A 70 15.191 5.594 -6.984 1.00 0.00 C ATOM 1033 CE LYS A 70 16.109 4.438 -7.416 1.00 0.00 C ATOM 1034 NZ LYS A 70 17.286 4.313 -6.519 1.00 0.00 N ATOM 0 H LYS A 70 11.628 8.794 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 70 12.456 7.261 -9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.709 7.793 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.644 6.679 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.455 4.795 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.415 5.878 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.755 6.526 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.809 5.413 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.546 3.504 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.446 4.603 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.884 3.524 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.836 5.196 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.964 4.131 -5.547 1.00 0.00 H new ATOM 1048 N TYR A 71 9.890 6.047 -8.048 1.00 0.00 N ATOM 1049 CA TYR A 71 8.841 5.004 -8.059 1.00 0.00 C ATOM 1050 C TYR A 71 7.710 5.282 -9.060 1.00 0.00 C ATOM 1051 O TYR A 71 6.905 4.396 -9.351 1.00 0.00 O ATOM 1052 CB TYR A 71 8.286 4.792 -6.641 1.00 0.00 C ATOM 1053 CG TYR A 71 9.105 3.800 -5.837 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.481 4.020 -5.646 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.508 2.624 -5.346 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.266 3.073 -4.962 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.283 1.677 -4.654 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.667 1.893 -4.462 1.00 0.00 C ATOM 1059 OH TYR A 71 11.416 0.961 -3.816 1.00 0.00 O ATOM 0 H TYR A 71 9.664 6.835 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 71 9.318 4.085 -8.400 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.263 5.748 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.257 4.439 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.938 4.921 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.454 2.449 -5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.322 3.247 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.820 0.781 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 71 10.843 0.216 -3.539 1.00 0.00 H new ATOM 1069 N GLY A 72 7.667 6.493 -9.610 1.00 0.00 N ATOM 1070 CA GLY A 72 6.743 6.903 -10.675 1.00 0.00 C ATOM 1071 C GLY A 72 5.400 7.418 -10.162 1.00 0.00 C ATOM 1072 O GLY A 72 4.401 7.348 -10.877 1.00 0.00 O ATOM 0 H GLY A 72 8.293 7.244 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.216 7.682 -11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.567 6.055 -11.337 1.00 0.00 H new ATOM 1076 N VAL A 73 5.357 7.929 -8.925 1.00 0.00 N ATOM 1077 CA VAL A 73 4.159 8.478 -8.253 1.00 0.00 C ATOM 1078 C VAL A 73 3.859 9.909 -8.751 1.00 0.00 C ATOM 1079 O VAL A 73 3.774 10.873 -7.991 1.00 0.00 O ATOM 1080 CB VAL A 73 4.291 8.407 -6.714 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.925 8.605 -6.037 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.871 7.075 -6.209 1.00 0.00 C ATOM 0 H VAL A 73 6.188 7.976 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 73 3.304 7.857 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 73 4.982 9.208 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.044 8.551 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.522 9.580 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.239 7.824 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.935 7.095 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.223 6.255 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.866 6.929 -6.629 1.00 0.00 H new ATOM 1092 N SER A 74 3.745 10.056 -10.072 1.00 0.00 N ATOM 1093 CA SER A 74 3.429 11.312 -10.776 1.00 0.00 C ATOM 1094 C SER A 74 2.023 11.890 -10.504 1.00 0.00 C ATOM 1095 O SER A 74 1.726 13.008 -10.934 1.00 0.00 O ATOM 1096 CB SER A 74 3.624 11.107 -12.285 1.00 0.00 C ATOM 1097 OG SER A 74 2.786 10.070 -12.771 1.00 0.00 O ATOM 0 H SER A 74 3.875 9.273 -10.713 1.00 0.00 H new ATOM 0 HA SER A 74 4.120 12.054 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.403 12.035 -12.813 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.666 10.863 -12.491 1.00 0.00 H new ATOM 0 HG SER A 74 2.927 9.960 -13.734 1.00 0.00 H new ATOM 1103 N GLY A 75 1.155 11.165 -9.789 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.244 11.550 -9.544 1.00 0.00 C ATOM 1105 C GLY A 75 -0.911 10.747 -8.420 1.00 0.00 C ATOM 1106 O GLY A 75 -1.839 9.982 -8.682 1.00 0.00 O ATOM 0 H GLY A 75 1.408 10.277 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.282 12.610 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.815 11.418 -10.463 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.411 10.881 -7.185 1.00 0.00 N ATOM 1111 CA TYR A 76 -0.964 10.205 -5.998 1.00 0.00 C ATOM 1112 C TYR A 76 -2.464 10.518 -5.722 1.00 0.00 C ATOM 1113 O TYR A 76 -2.955 11.582 -6.126 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.096 10.498 -4.766 1.00 0.00 C ATOM 1115 CG TYR A 76 0.490 11.888 -4.642 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.304 12.963 -4.198 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.846 12.107 -4.953 1.00 0.00 C ATOM 1118 CE1 TYR A 76 0.250 14.254 -4.083 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.403 13.394 -4.842 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.610 14.473 -4.403 1.00 0.00 C ATOM 1121 OH TYR A 76 2.155 15.716 -4.302 1.00 0.00 O ATOM 0 H TYR A 76 0.397 11.467 -6.977 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.935 9.138 -6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.697 10.305 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.727 9.783 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.341 12.798 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.462 11.282 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.365 15.077 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.441 13.555 -5.094 1.00 0.00 H new ATOM 0 HH TYR A 76 3.100 15.681 -4.560 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.199 9.637 -4.995 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.747 8.358 -4.424 1.00 0.00 C ATOM 1133 C PRO A 77 -2.421 7.302 -5.490 1.00 0.00 C ATOM 1134 O PRO A 77 -3.072 7.213 -6.535 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.887 7.863 -3.530 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.124 8.514 -4.139 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.607 9.848 -4.676 1.00 0.00 C ATOM 0 HA PRO A 77 -1.819 8.515 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.960 6.776 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.744 8.165 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.549 7.901 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.907 8.659 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.165 10.155 -5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.725 10.638 -3.935 1.00 0.00 H new ATOM 1145 N THR A 78 -1.414 6.473 -5.194 1.00 0.00 N ATOM 1146 CA THR A 78 -0.945 5.377 -6.065 1.00 0.00 C ATOM 1147 C THR A 78 -0.610 4.156 -5.209 1.00 0.00 C ATOM 1148 O THR A 78 0.266 4.233 -4.345 1.00 0.00 O ATOM 1149 CB THR A 78 0.291 5.796 -6.883 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.072 7.016 -7.565 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.671 4.761 -7.945 1.00 0.00 C ATOM 0 H THR A 78 -0.887 6.543 -4.323 1.00 0.00 H new ATOM 0 HA THR A 78 -1.743 5.133 -6.766 1.00 0.00 H new ATOM 0 HB THR A 78 1.094 5.893 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.875 7.255 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.548 5.106 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.896 3.810 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.160 4.629 -8.638 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.297 3.030 -5.422 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.013 1.766 -4.742 1.00 0.00 C ATOM 1161 C LEU A 79 -0.210 0.849 -5.672 1.00 0.00 C ATOM 1162 O LEU A 79 -0.504 0.758 -6.866 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.323 1.081 -4.302 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.044 1.742 -3.110 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.910 2.940 -3.509 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.970 0.717 -2.459 1.00 0.00 C ATOM 0 H LEU A 79 -2.075 2.971 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.422 1.969 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.006 1.059 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.103 0.045 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.263 2.094 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.387 3.356 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.285 3.702 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.675 2.617 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.484 1.176 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.704 0.375 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.384 -0.132 -2.109 1.00 0.00 H new ATOM 1178 N LYS A 80 0.786 0.137 -5.130 1.00 0.00 N ATOM 1179 CA LYS A 80 1.647 -0.788 -5.891 1.00 0.00 C ATOM 1180 C LYS A 80 1.935 -2.082 -5.125 1.00 0.00 C ATOM 1181 O LYS A 80 2.068 -2.081 -3.899 1.00 0.00 O ATOM 1182 CB LYS A 80 2.966 -0.091 -6.292 1.00 0.00 C ATOM 1183 CG LYS A 80 2.752 1.052 -7.300 1.00 0.00 C ATOM 1184 CD LYS A 80 4.054 1.447 -8.001 1.00 0.00 C ATOM 1185 CE LYS A 80 3.735 2.366 -9.192 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.921 2.559 -10.069 1.00 0.00 N ATOM 0 H LYS A 80 1.023 0.185 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 80 1.101 -1.066 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.449 0.304 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.645 -0.827 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.017 0.746 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.340 1.919 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.716 1.957 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.579 0.556 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.918 1.939 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.393 3.333 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.609 2.866 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.543 3.284 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.442 1.662 -10.151 1.00 0.00 H new ATOM 1200 N ILE A 81 2.049 -3.175 -5.882 1.00 0.00 N ATOM 1201 CA ILE A 81 2.366 -4.535 -5.426 1.00 0.00 C ATOM 1202 C ILE A 81 3.803 -4.868 -5.861 1.00 0.00 C ATOM 1203 O ILE A 81 4.214 -4.586 -6.991 1.00 0.00 O ATOM 1204 CB ILE A 81 1.332 -5.536 -6.008 1.00 0.00 C ATOM 1205 CG1 ILE A 81 -0.024 -5.536 -5.264 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.847 -6.989 -5.979 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.846 -4.245 -5.364 1.00 0.00 C ATOM 0 H ILE A 81 1.915 -3.134 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 81 2.307 -4.607 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 81 1.188 -5.188 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.627 -6.358 -5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.162 -5.744 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.089 -7.652 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.760 -7.063 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.057 -7.280 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.775 -4.361 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.273 -3.416 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.075 -4.040 -6.410 1.00 0.00 H new ATOM 1219 N PHE A 82 4.554 -5.517 -4.967 1.00 0.00 N ATOM 1220 CA PHE A 82 5.979 -5.822 -5.123 1.00 0.00 C ATOM 1221 C PHE A 82 6.275 -7.283 -4.746 1.00 0.00 C ATOM 1222 O PHE A 82 6.544 -7.598 -3.587 1.00 0.00 O ATOM 1223 CB PHE A 82 6.817 -4.853 -4.286 1.00 0.00 C ATOM 1224 CG PHE A 82 6.611 -3.386 -4.592 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.630 -2.649 -3.905 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.412 -2.757 -5.560 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.460 -1.281 -4.180 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.226 -1.391 -5.851 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.252 -0.656 -5.155 1.00 0.00 C ATOM 0 H PHE A 82 4.173 -5.856 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 82 6.250 -5.695 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.593 -5.022 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.871 -5.092 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.008 -3.133 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.171 -3.321 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.719 -0.710 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.830 -0.911 -6.606 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.112 0.393 -5.371 1.00 0.00 H new ATOM 1239 N ARG A 83 6.187 -8.190 -5.725 1.00 0.00 N ATOM 1240 CA ARG A 83 6.500 -9.619 -5.542 1.00 0.00 C ATOM 1241 C ARG A 83 7.982 -9.791 -5.201 1.00 0.00 C ATOM 1242 O ARG A 83 8.853 -9.297 -5.918 1.00 0.00 O ATOM 1243 CB ARG A 83 6.111 -10.441 -6.777 1.00 0.00 C ATOM 1244 CG ARG A 83 4.581 -10.582 -6.903 1.00 0.00 C ATOM 1245 CD ARG A 83 4.178 -11.370 -8.162 1.00 0.00 C ATOM 1246 NE ARG A 83 4.598 -12.786 -8.091 1.00 0.00 N ATOM 1247 CZ ARG A 83 4.476 -13.693 -9.046 1.00 0.00 C ATOM 1248 NH1 ARG A 83 3.941 -13.408 -10.201 1.00 0.00 N ATOM 1249 NH2 ARG A 83 4.886 -14.913 -8.853 1.00 0.00 N ATOM 0 H ARG A 83 5.895 -7.956 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 83 5.908 -9.997 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.508 -9.964 -7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.565 -11.430 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.189 -11.085 -6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.127 -9.592 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.097 -11.319 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.625 -10.903 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 83 5.025 -13.094 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.603 -12.464 -10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.861 -14.129 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.305 -15.175 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.789 -15.607 -9.594 1.00 0.00 H new ATOM 1263 N ASP A 84 8.258 -10.452 -4.076 1.00 0.00 N ATOM 1264 CA ASP A 84 9.588 -10.572 -3.449 1.00 0.00 C ATOM 1265 C ASP A 84 10.356 -9.223 -3.306 1.00 0.00 C ATOM 1266 O ASP A 84 11.591 -9.192 -3.280 1.00 0.00 O ATOM 1267 CB ASP A 84 10.400 -11.668 -4.160 1.00 0.00 C ATOM 1268 CG ASP A 84 9.728 -13.048 -4.083 1.00 0.00 C ATOM 1269 OD1 ASP A 84 9.703 -13.647 -2.981 1.00 0.00 O ATOM 1270 OD2 ASP A 84 9.241 -13.555 -5.123 1.00 0.00 O ATOM 0 H ASP A 84 7.534 -10.941 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 84 9.433 -10.877 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.536 -11.393 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.393 -11.726 -3.714 1.00 0.00 H new ATOM 1275 N GLY A 85 9.632 -8.097 -3.228 1.00 0.00 N ATOM 1276 CA GLY A 85 10.215 -6.752 -3.114 1.00 0.00 C ATOM 1277 C GLY A 85 10.618 -6.093 -4.442 1.00 0.00 C ATOM 1278 O GLY A 85 11.434 -5.172 -4.441 1.00 0.00 O ATOM 0 H GLY A 85 8.612 -8.095 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.497 -6.105 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.096 -6.809 -2.475 1.00 0.00 H new ATOM 1282 N GLU A 86 10.051 -6.526 -5.569 1.00 0.00 N ATOM 1283 CA GLU A 86 10.267 -5.961 -6.909 1.00 0.00 C ATOM 1284 C GLU A 86 8.924 -5.726 -7.622 1.00 0.00 C ATOM 1285 O GLU A 86 8.010 -6.547 -7.515 1.00 0.00 O ATOM 1286 CB GLU A 86 11.135 -6.909 -7.753 1.00 0.00 C ATOM 1287 CG GLU A 86 12.560 -7.084 -7.208 1.00 0.00 C ATOM 1288 CD GLU A 86 13.410 -7.951 -8.153 1.00 0.00 C ATOM 1289 OE1 GLU A 86 14.033 -7.398 -9.094 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.477 -9.189 -7.957 1.00 0.00 O ATOM 0 H GLU A 86 9.401 -7.312 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 86 10.780 -5.006 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.651 -7.884 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.189 -6.528 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.028 -6.108 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.522 -7.546 -6.221 1.00 0.00 H new ATOM 1297 N GLU A 87 8.790 -4.583 -8.305 1.00 0.00 N ATOM 1298 CA GLU A 87 7.521 -4.105 -8.888 1.00 0.00 C ATOM 1299 C GLU A 87 6.837 -5.158 -9.773 1.00 0.00 C ATOM 1300 O GLU A 87 7.418 -5.634 -10.760 1.00 0.00 O ATOM 1301 CB GLU A 87 7.775 -2.807 -9.671 1.00 0.00 C ATOM 1302 CG GLU A 87 6.481 -2.170 -10.203 1.00 0.00 C ATOM 1303 CD GLU A 87 6.771 -0.885 -11.003 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.454 -0.948 -12.056 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.299 0.205 -10.598 1.00 0.00 O ATOM 0 H GLU A 87 9.572 -3.950 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 87 6.832 -3.909 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.288 -2.093 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.442 -3.017 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.957 -2.884 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.818 -1.939 -9.369 1.00 0.00 H new ATOM 1312 N ALA A 88 5.586 -5.491 -9.438 1.00 0.00 N ATOM 1313 CA ALA A 88 4.820 -6.564 -10.086 1.00 0.00 C ATOM 1314 C ALA A 88 3.358 -6.202 -10.440 1.00 0.00 C ATOM 1315 O ALA A 88 2.721 -6.933 -11.205 1.00 0.00 O ATOM 1316 CB ALA A 88 4.883 -7.787 -9.171 1.00 0.00 C ATOM 0 H ALA A 88 5.068 -5.016 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 88 5.277 -6.761 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.323 -8.607 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.922 -8.088 -9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.449 -7.540 -8.202 1.00 0.00 H new ATOM 1322 N GLY A 89 2.826 -5.079 -9.947 1.00 0.00 N ATOM 1323 CA GLY A 89 1.480 -4.621 -10.309 1.00 0.00 C ATOM 1324 C GLY A 89 1.066 -3.297 -9.671 1.00 0.00 C ATOM 1325 O GLY A 89 0.780 -3.230 -8.476 1.00 0.00 O ATOM 0 H GLY A 89 3.311 -4.466 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.424 -4.520 -11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.760 -5.388 -10.023 1.00 0.00 H new ATOM 1329 N ALA A 90 1.045 -2.221 -10.456 1.00 0.00 N ATOM 1330 CA ALA A 90 0.428 -0.959 -10.034 1.00 0.00 C ATOM 1331 C ALA A 90 -1.112 -1.106 -10.039 1.00 0.00 C ATOM 1332 O ALA A 90 -1.694 -1.533 -11.044 1.00 0.00 O ATOM 1333 CB ALA A 90 0.908 0.162 -10.961 1.00 0.00 C ATOM 0 H ALA A 90 1.449 -2.196 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 90 0.725 -0.705 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.455 1.105 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.993 0.244 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.618 -0.065 -11.987 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.760 -0.776 -8.921 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.196 -0.977 -8.692 1.00 0.00 C ATOM 1341 C TYR A 91 -3.978 0.349 -8.713 1.00 0.00 C ATOM 1342 O TYR A 91 -3.477 1.417 -8.350 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.374 -1.755 -7.381 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.789 -2.235 -7.066 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.535 -2.933 -8.036 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.339 -2.022 -5.785 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.835 -3.381 -7.738 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.623 -2.513 -5.468 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.381 -3.187 -6.452 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.630 -3.646 -6.172 1.00 0.00 O ATOM 0 H TYR A 91 -1.288 -0.348 -8.124 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.619 -1.563 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.716 -2.623 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.036 -1.123 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.108 -3.124 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.774 -1.479 -5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.419 -3.877 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.026 -2.374 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.762 -3.665 -5.201 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.238 0.277 -9.156 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.128 1.418 -9.443 1.00 0.00 C ATOM 1362 C ASP A 92 -7.587 1.093 -9.052 1.00 0.00 C ATOM 1363 O ASP A 92 -8.543 1.424 -9.755 1.00 0.00 O ATOM 1364 CB ASP A 92 -5.955 1.803 -10.926 1.00 0.00 C ATOM 1365 CG ASP A 92 -6.669 3.115 -11.309 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -6.575 4.114 -10.555 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.296 3.165 -12.397 1.00 0.00 O ATOM 0 H ASP A 92 -5.691 -0.619 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.858 2.283 -8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.892 1.900 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.338 0.995 -11.550 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.747 0.355 -7.949 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.033 -0.143 -7.439 1.00 0.00 C ATOM 1374 C GLY A 93 -9.906 0.917 -6.734 1.00 0.00 C ATOM 1375 O GLY A 93 -9.667 2.125 -6.860 1.00 0.00 O ATOM 0 H GLY A 93 -6.958 0.077 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.599 -0.564 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.840 -0.957 -6.740 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.933 0.469 -5.976 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.902 1.315 -5.265 1.00 0.00 C ATOM 1381 C PRO A 94 -11.362 2.385 -4.290 1.00 0.00 C ATOM 1382 O PRO A 94 -12.151 3.230 -3.856 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.808 0.332 -4.518 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.792 -0.917 -5.388 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.355 -0.929 -5.908 1.00 0.00 C ATOM 0 HA PRO A 94 -12.394 1.935 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.432 0.125 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.818 0.727 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.026 -1.815 -4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.518 -0.858 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.706 -1.500 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.300 -1.400 -6.889 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.067 2.363 -3.915 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.448 3.271 -2.912 1.00 0.00 C ATOM 1395 C ARG A 95 -10.173 3.242 -1.548 1.00 0.00 C ATOM 1396 O ARG A 95 -10.363 4.262 -0.884 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.260 4.684 -3.514 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.186 4.738 -4.619 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.352 5.954 -5.538 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.364 7.237 -4.805 1.00 0.00 N ATOM 1401 CZ ARG A 95 -8.503 8.440 -5.338 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -8.614 8.620 -6.625 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -8.528 9.499 -4.582 1.00 0.00 N ATOM 0 H ARG A 95 -9.401 1.698 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.451 2.900 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.210 5.026 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.988 5.377 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.198 4.765 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.236 3.827 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.540 5.966 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.281 5.854 -6.099 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.255 7.191 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.595 7.818 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.720 9.562 -7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.440 9.405 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.635 10.423 -5.001 1.00 0.00 H new ATOM 1417 N THR A 96 -10.568 2.038 -1.139 1.00 0.00 N ATOM 1418 CA THR A 96 -11.217 1.698 0.143 1.00 0.00 C ATOM 1419 C THR A 96 -10.722 0.335 0.637 1.00 0.00 C ATOM 1420 O THR A 96 -10.207 -0.452 -0.160 1.00 0.00 O ATOM 1421 CB THR A 96 -12.754 1.631 0.019 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.138 0.718 -0.988 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.390 2.986 -0.294 1.00 0.00 C ATOM 0 H THR A 96 -10.439 1.214 -1.727 1.00 0.00 H new ATOM 0 HA THR A 96 -10.955 2.488 0.847 1.00 0.00 H new ATOM 0 HB THR A 96 -13.113 1.301 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.116 0.690 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.471 2.872 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.154 3.692 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.999 3.362 -1.239 1.00 0.00 H new ATOM 1431 N ALA A 97 -10.883 0.026 1.929 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.492 -1.250 2.527 1.00 0.00 C ATOM 1433 C ALA A 97 -11.018 -2.477 1.756 1.00 0.00 C ATOM 1434 O ALA A 97 -10.268 -3.412 1.471 1.00 0.00 O ATOM 1435 CB ALA A 97 -10.988 -1.285 3.978 1.00 0.00 C ATOM 0 H ALA A 97 -11.298 0.672 2.600 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.405 -1.313 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.703 -2.232 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.540 -0.462 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.073 -1.186 3.994 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.295 -2.442 1.362 1.00 0.00 N ATOM 1442 CA ASP A 98 -12.956 -3.497 0.590 1.00 0.00 C ATOM 1443 C ASP A 98 -12.298 -3.716 -0.780 1.00 0.00 C ATOM 1444 O ASP A 98 -12.190 -4.852 -1.238 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.439 -3.156 0.406 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.221 -3.213 1.720 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.543 -4.330 2.189 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.542 -2.137 2.280 1.00 0.00 O ATOM 0 H ASP A 98 -12.912 -1.659 1.577 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.854 -4.425 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.528 -2.158 -0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.882 -3.851 -0.307 1.00 0.00 H new ATOM 1453 N GLY A 99 -11.792 -2.647 -1.410 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.024 -2.707 -2.654 1.00 0.00 C ATOM 1455 C GLY A 99 -9.674 -3.419 -2.528 1.00 0.00 C ATOM 1456 O GLY A 99 -9.198 -3.995 -3.508 1.00 0.00 O ATOM 0 H GLY A 99 -11.910 -1.697 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.620 -3.216 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.854 -1.691 -3.012 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.068 -3.423 -1.334 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.803 -4.130 -1.052 1.00 0.00 C ATOM 1462 C ILE A 100 -8.062 -5.596 -0.674 1.00 0.00 C ATOM 1463 O ILE A 100 -7.414 -6.499 -1.206 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.014 -3.438 0.080 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.030 -1.896 0.062 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.565 -3.950 0.058 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.602 -1.231 -1.251 1.00 0.00 C ATOM 0 H ILE A 100 -9.444 -2.930 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.208 -4.098 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.527 -3.704 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.039 -1.561 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.376 -1.537 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.997 -3.468 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.558 -5.029 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.111 -3.716 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.653 -0.148 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.580 -1.524 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.268 -1.548 -2.053 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.045 -5.851 0.199 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.494 -7.204 0.576 1.00 0.00 C ATOM 1481 C VAL A 101 -9.975 -7.983 -0.646 1.00 0.00 C ATOM 1482 O VAL A 101 -9.564 -9.122 -0.844 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.583 -7.133 1.665 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.139 -8.513 2.044 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.022 -6.515 2.953 1.00 0.00 C ATOM 0 H VAL A 101 -9.562 -5.111 0.674 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.642 -7.743 0.991 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.380 -6.524 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.901 -8.399 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.580 -8.982 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.331 -9.139 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.807 -6.474 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.196 -7.125 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.664 -5.506 2.747 1.00 0.00 H new ATOM 1495 N SER A 102 -10.789 -7.365 -1.503 1.00 0.00 N ATOM 1496 CA SER A 102 -11.254 -7.960 -2.767 1.00 0.00 C ATOM 1497 C SER A 102 -10.089 -8.360 -3.689 1.00 0.00 C ATOM 1498 O SER A 102 -10.052 -9.486 -4.184 1.00 0.00 O ATOM 1499 CB SER A 102 -12.191 -6.979 -3.485 1.00 0.00 C ATOM 1500 OG SER A 102 -12.699 -7.539 -4.685 1.00 0.00 O ATOM 0 H SER A 102 -11.151 -6.425 -1.341 1.00 0.00 H new ATOM 0 HA SER A 102 -11.794 -8.875 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.018 -6.714 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.654 -6.057 -3.710 1.00 0.00 H new ATOM 0 HG SER A 102 -13.294 -6.894 -5.121 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.084 -7.491 -3.852 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.867 -7.784 -4.616 1.00 0.00 C ATOM 1508 C HIS A 103 -7.107 -9.021 -4.105 1.00 0.00 C ATOM 1509 O HIS A 103 -6.540 -9.761 -4.913 1.00 0.00 O ATOM 1510 CB HIS A 103 -6.992 -6.517 -4.632 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.583 -6.714 -5.128 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.115 -6.483 -6.401 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.521 -7.148 -4.377 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -3.802 -6.772 -6.416 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.387 -7.188 -5.201 1.00 0.00 N ATOM 0 H HIS A 103 -9.094 -6.553 -3.452 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.148 -8.049 -5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.478 -5.768 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.950 -6.111 -3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.552 -7.413 -3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.165 -6.683 -7.284 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.444 -7.473 -4.937 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.116 -9.283 -2.790 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.602 -10.531 -2.214 1.00 0.00 C ATOM 1525 C LEU A 104 -7.549 -11.715 -2.458 1.00 0.00 C ATOM 1526 O LEU A 104 -7.126 -12.739 -3.001 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.292 -10.312 -0.715 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.675 -11.494 0.064 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.714 -12.532 0.504 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.541 -12.195 -0.691 1.00 0.00 C ATOM 0 H LEU A 104 -7.482 -8.632 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.674 -10.799 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.613 -9.463 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.219 -10.028 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.252 -11.031 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.217 -13.337 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.450 -12.058 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.214 -12.941 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.154 -13.015 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.920 -12.588 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.741 -11.482 -0.890 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.832 -11.611 -2.094 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.766 -12.752 -2.169 1.00 0.00 C ATOM 1544 C LYS A 105 -9.950 -13.293 -3.592 1.00 0.00 C ATOM 1545 O LYS A 105 -10.067 -14.503 -3.776 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.136 -12.367 -1.580 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.042 -12.136 -0.071 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.441 -11.981 0.545 1.00 0.00 C ATOM 1549 CE LYS A 105 -12.345 -11.927 2.073 1.00 0.00 C ATOM 1550 NZ LYS A 105 -13.687 -11.793 2.697 1.00 0.00 N ATOM 0 H LYS A 105 -9.252 -10.750 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.317 -13.551 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.504 -11.464 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.859 -13.157 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.524 -12.972 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.451 -11.242 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.912 -11.072 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.074 -12.816 0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.860 -12.831 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.718 -11.086 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.587 -11.759 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.139 -10.917 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.276 -12.608 2.433 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.891 -12.409 -4.593 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.975 -12.742 -6.033 1.00 0.00 C ATOM 1566 C LYS A 106 -8.821 -13.611 -6.573 1.00 0.00 C ATOM 1567 O LYS A 106 -8.973 -14.200 -7.647 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.105 -11.448 -6.854 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.518 -10.844 -6.734 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.647 -9.466 -7.408 1.00 0.00 C ATOM 1571 CE LYS A 106 -11.424 -9.538 -8.922 1.00 0.00 C ATOM 1572 NZ LYS A 106 -11.651 -8.219 -9.566 1.00 0.00 N ATOM 0 H LYS A 106 -9.780 -11.409 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.864 -13.363 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.367 -10.722 -6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.885 -11.656 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.238 -11.529 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.778 -10.752 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.637 -9.057 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.924 -8.779 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.407 -9.874 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.097 -10.277 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.492 -8.301 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.629 -7.911 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.991 -7.520 -9.168 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.711 -13.735 -5.832 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.575 -14.609 -6.162 1.00 0.00 C ATOM 1588 C GLN A 107 -6.357 -15.736 -5.143 1.00 0.00 C ATOM 1589 O GLN A 107 -6.000 -16.852 -5.522 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.309 -13.757 -6.337 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.909 -12.855 -5.159 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.690 -11.991 -5.465 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.582 -12.472 -5.678 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.848 -10.690 -5.495 1.00 0.00 N ATOM 0 H GLN A 107 -7.574 -13.217 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.810 -15.112 -7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.476 -14.427 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.443 -13.127 -7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.749 -12.211 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.700 -13.475 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.767 -10.284 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.052 -10.084 -5.695 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.626 -15.469 -3.863 1.00 0.00 N ATOM 1604 CA ALA A 108 -6.615 -16.477 -2.794 1.00 0.00 C ATOM 1605 C ALA A 108 -7.752 -17.524 -2.912 1.00 0.00 C ATOM 1606 O ALA A 108 -7.586 -18.661 -2.466 1.00 0.00 O ATOM 1607 CB ALA A 108 -6.690 -15.754 -1.447 1.00 0.00 C ATOM 0 H ALA A 108 -6.861 -14.533 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.688 -17.044 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.683 -16.487 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.832 -15.090 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.609 -15.170 -1.398 1.00 0.00 H new ATOM 1613 N GLY A 109 -8.885 -17.157 -3.523 1.00 0.00 N ATOM 1614 CA GLY A 109 -10.054 -18.021 -3.751 1.00 0.00 C ATOM 1615 C GLY A 109 -10.634 -18.721 -2.503 1.00 0.00 C ATOM 1616 O GLY A 109 -10.811 -19.942 -2.540 1.00 0.00 O ATOM 0 H GLY A 109 -9.020 -16.214 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.842 -17.420 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.779 -18.786 -4.477 1.00 0.00 H new ATOM 1620 N PRO A 110 -10.930 -18.004 -1.395 1.00 0.00 N ATOM 1621 CA PRO A 110 -11.344 -18.614 -0.126 1.00 0.00 C ATOM 1622 C PRO A 110 -12.767 -19.206 -0.134 1.00 0.00 C ATOM 1623 O PRO A 110 -13.072 -20.041 0.720 1.00 0.00 O ATOM 1624 CB PRO A 110 -11.218 -17.486 0.904 1.00 0.00 C ATOM 1625 CG PRO A 110 -11.510 -16.231 0.092 1.00 0.00 C ATOM 1626 CD PRO A 110 -10.869 -16.555 -1.257 1.00 0.00 C ATOM 0 HA PRO A 110 -10.716 -19.477 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -11.927 -17.609 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -10.222 -17.455 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.580 -16.047 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.072 -15.342 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.403 -16.063 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.838 -16.203 -1.293 1.00 0.00 H new ATOM 1634 N ALA A 111 -13.632 -18.789 -1.071 1.00 0.00 N ATOM 1635 CA ALA A 111 -15.055 -19.162 -1.138 1.00 0.00 C ATOM 1636 C ALA A 111 -15.589 -19.344 -2.579 1.00 0.00 C ATOM 1637 O ALA A 111 -16.806 -19.402 -2.789 1.00 0.00 O ATOM 1638 CB ALA A 111 -15.848 -18.099 -0.357 1.00 0.00 C ATOM 0 H ALA A 111 -13.353 -18.164 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 111 -15.181 -20.146 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -16.910 -18.344 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -15.508 -18.079 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -15.689 -17.121 -0.810 1.00 0.00 H new ATOM 1644 N SER A 112 -14.704 -19.419 -3.582 1.00 0.00 N ATOM 1645 CA SER A 112 -15.049 -19.437 -5.017 1.00 0.00 C ATOM 1646 C SER A 112 -14.876 -20.812 -5.697 1.00 0.00 C ATOM 1647 O SER A 112 -15.137 -20.943 -6.900 1.00 0.00 O ATOM 1648 CB SER A 112 -14.228 -18.373 -5.750 1.00 0.00 C ATOM 1649 OG SER A 112 -12.837 -18.604 -5.591 1.00 0.00 O ATOM 0 H SER A 112 -13.699 -19.470 -3.417 1.00 0.00 H new ATOM 0 HA SER A 112 -16.114 -19.215 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.482 -18.379 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.482 -17.385 -5.367 1.00 0.00 H new ATOM 0 HG SER A 112 -12.334 -17.912 -6.070 1.00 0.00 H new ATOM 1655 N VAL A 113 -14.464 -21.841 -4.936 1.00 0.00 N ATOM 1656 CA VAL A 113 -14.223 -23.232 -5.384 1.00 0.00 C ATOM 1657 C VAL A 113 -14.825 -24.228 -4.393 1.00 0.00 C ATOM 1658 O VAL A 113 -14.455 -24.196 -3.198 1.00 0.00 O ATOM 1659 CB VAL A 113 -12.713 -23.505 -5.593 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -12.488 -24.908 -6.168 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -12.080 -22.499 -6.563 1.00 0.00 C ATOM 1662 OXT VAL A 113 -15.702 -25.021 -4.810 1.00 0.00 O ATOM 0 H VAL A 113 -14.279 -21.723 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.717 -23.363 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.246 -23.411 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.420 -25.078 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.887 -25.652 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.996 -24.993 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.020 -22.726 -6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.576 -22.565 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.193 -21.490 -6.166 1.00 0.00 H new TER 1672 VAL A 113