USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1033 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 114 MET CE :methyl 177:sc= -0.123 (180deg=-0.00217) USER MOD Set 1.2: A 115 GLN : amide:sc= -1.72 K(o=-1.8,f=-2.6!) USER MOD Set 2.1: A 110 THR OG1 : rot -127:sc= -2.38! USER MOD Set 2.2: A 113 GLN : amide:sc= -9.68! C(o=-12!,f=-15!) USER MOD Set 3.1: A 89 ASN : amide:sc= -3.58! C(o=-2.7!,f=-3.2!) USER MOD Set 3.2: A 94 ASN : amide:sc= 0.894 K(o=-2.7,f=-3.2) USER MOD Set 4.1: A 85 THR OG1 : rot -99:sc= 1.13 USER MOD Set 4.2: A 123 GLN : amide:sc= -0.479 X(o=0.65,f=0.31) USER MOD Set 5.1: A 81 ASN : amide:sc= -2.3 K(o=-2.9,f=-8.2!) USER MOD Set 5.2: A 82 CYS SG : rot 93:sc= -0.569 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 1.17 K(o=1.2,f=-0.59) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.129 F(o=-0.66,f=-0.13) USER MOD Single : A 15 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.016) USER MOD Single : A 16 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.579 K(o=-0.58,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0344 (180deg=-0.256) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.569) USER MOD Single : A 29 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 32 SER OG : rot 96:sc= 1.2 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 94:sc= 2.07 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 164:sc= 0.95 USER MOD Single : A 47 SER OG : rot -84:sc= 1.25 USER MOD Single : A 51 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 54 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 59 ASN : amide:sc= -0.0099 K(o=-0.0099,f=-0.98) USER MOD Single : A 60 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 1.43 (180deg=0.92) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.118 X(o=0.12,f=-0.28) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 63:sc= 0.703 USER MOD Single : A 104 SER OG : rot 156:sc= 0.488 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 132:sc= 0.879 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -2.25! C(o=-2.2!,f=-2.3!) USER MOD Single : A 129 THR OG1 : rot -89:sc= 1.26 USER MOD Single : A 130 LYS NZ :NH3+ -119:sc= 0.373 (180deg=-0.00931) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0.537 (180deg=0.537) USER MOD Single : A 138 LYS NZ :NH3+ -164:sc= 0.64 (180deg=0.479) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.319 9.958 3.052 1.00 0.00 N ATOM 2 CA PRO A 1 3.965 9.139 2.023 1.00 0.00 C ATOM 3 C PRO A 1 5.491 9.282 2.094 1.00 0.00 C ATOM 4 O PRO A 1 6.006 9.870 3.020 1.00 0.00 O ATOM 5 CB PRO A 1 3.437 9.574 0.672 1.00 0.00 C ATOM 6 CG PRO A 1 2.941 10.958 0.946 1.00 0.00 C ATOM 7 CD PRO A 1 2.467 10.957 2.388 1.00 0.00 C ATOM 0 H2 PRO A 1 4.021 10.419 3.630 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.760 9.372 3.672 1.00 0.00 H new ATOM 0 HA PRO A 1 3.735 8.086 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.217 9.566 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.640 8.920 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.732 11.692 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.129 11.222 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.579 11.941 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.412 10.691 2.460 1.00 0.00 H new ATOM 17 N VAL A 2 6.204 8.717 1.142 1.00 0.00 N ATOM 18 CA VAL A 2 7.632 8.822 1.122 1.00 0.00 C ATOM 19 C VAL A 2 8.061 9.564 -0.129 1.00 0.00 C ATOM 20 O VAL A 2 7.486 9.360 -1.189 1.00 0.00 O ATOM 21 CB VAL A 2 8.299 7.416 1.143 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.800 7.524 1.004 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.975 6.675 2.426 1.00 0.00 C ATOM 0 H VAL A 2 5.807 8.179 0.372 1.00 0.00 H new ATOM 0 HA VAL A 2 7.951 9.366 2.011 1.00 0.00 H new ATOM 0 HB VAL A 2 7.898 6.860 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.240 6.527 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.044 8.011 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.201 8.112 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.455 5.696 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.342 7.246 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.896 6.549 2.511 1.00 0.00 H new ATOM 33 N THR A 3 9.005 10.442 0.006 1.00 0.00 N ATOM 34 CA THR A 3 9.576 11.130 -1.116 1.00 0.00 C ATOM 35 C THR A 3 11.078 10.823 -1.134 1.00 0.00 C ATOM 36 O THR A 3 11.671 10.537 -0.077 1.00 0.00 O ATOM 37 CB THR A 3 9.316 12.669 -1.031 1.00 0.00 C ATOM 38 OG1 THR A 3 9.830 13.341 -2.184 1.00 0.00 O ATOM 39 CG2 THR A 3 9.944 13.273 0.215 1.00 0.00 C ATOM 0 H THR A 3 9.407 10.706 0.906 1.00 0.00 H new ATOM 0 HA THR A 3 9.110 10.788 -2.040 1.00 0.00 H new ATOM 0 HB THR A 3 8.235 12.804 -0.984 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.654 14.302 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.743 14.344 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.519 12.802 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.021 13.106 0.197 1.00 0.00 H new ATOM 47 N GLU A 4 11.681 10.816 -2.290 1.00 0.00 N ATOM 48 CA GLU A 4 13.084 10.552 -2.376 1.00 0.00 C ATOM 49 C GLU A 4 13.823 11.840 -2.671 1.00 0.00 C ATOM 50 O GLU A 4 13.301 12.732 -3.334 1.00 0.00 O ATOM 51 CB GLU A 4 13.422 9.473 -3.421 1.00 0.00 C ATOM 52 CG GLU A 4 13.315 9.895 -4.870 1.00 0.00 C ATOM 53 CD GLU A 4 11.892 10.192 -5.348 1.00 0.00 C ATOM 54 OE1 GLU A 4 11.317 11.237 -4.979 1.00 0.00 O ATOM 55 OE2 GLU A 4 11.334 9.398 -6.135 1.00 0.00 O ATOM 0 H GLU A 4 11.221 10.990 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 4 13.407 10.156 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.439 9.125 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.761 8.621 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.927 10.784 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.736 9.108 -5.495 1.00 0.00 H new ATOM 62 N THR A 5 14.967 11.961 -2.130 1.00 0.00 N ATOM 63 CA THR A 5 15.754 13.126 -2.303 1.00 0.00 C ATOM 64 C THR A 5 17.196 12.684 -2.587 1.00 0.00 C ATOM 65 O THR A 5 17.717 11.854 -1.903 1.00 0.00 O ATOM 66 CB THR A 5 15.581 14.041 -1.038 1.00 0.00 C ATOM 67 OG1 THR A 5 16.413 15.205 -1.089 1.00 0.00 O ATOM 68 CG2 THR A 5 15.794 13.265 0.282 1.00 0.00 C ATOM 0 H THR A 5 15.397 11.246 -1.543 1.00 0.00 H new ATOM 0 HA THR A 5 15.440 13.731 -3.154 1.00 0.00 H new ATOM 0 HB THR A 5 14.545 14.380 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.271 15.744 -0.283 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.664 13.941 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.067 12.456 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.802 12.850 0.302 1.00 0.00 H new ATOM 76 N VAL A 6 17.818 13.193 -3.608 1.00 0.00 N ATOM 77 CA VAL A 6 19.143 12.740 -3.995 1.00 0.00 C ATOM 78 C VAL A 6 20.178 13.813 -3.776 1.00 0.00 C ATOM 79 O VAL A 6 19.860 14.996 -3.670 1.00 0.00 O ATOM 80 CB VAL A 6 19.189 12.252 -5.488 1.00 0.00 C ATOM 81 CG1 VAL A 6 18.287 11.034 -5.706 1.00 0.00 C ATOM 82 CG2 VAL A 6 18.777 13.370 -6.434 1.00 0.00 C ATOM 0 H VAL A 6 17.434 13.930 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 6 19.376 11.890 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 6 20.218 11.963 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.342 10.722 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 6 18.618 10.217 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.258 11.295 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.816 13.010 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.761 13.689 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.458 14.213 -6.319 1.00 0.00 H new ATOM 92 N ASP A 7 21.407 13.383 -3.658 1.00 0.00 N ATOM 93 CA ASP A 7 22.544 14.276 -3.534 1.00 0.00 C ATOM 94 C ASP A 7 23.507 13.914 -4.664 1.00 0.00 C ATOM 95 O ASP A 7 23.510 12.738 -5.074 1.00 0.00 O ATOM 96 CB ASP A 7 23.203 14.113 -2.158 1.00 0.00 C ATOM 97 CG ASP A 7 24.357 15.067 -1.954 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.121 16.284 -1.818 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.511 14.630 -1.929 1.00 0.00 O ATOM 0 H ASP A 7 21.656 12.394 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 7 22.243 15.321 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.458 14.277 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.559 13.089 -2.048 1.00 0.00 H new ATOM 104 N GLY A 8 24.299 14.890 -5.169 1.00 0.00 N ATOM 105 CA GLY A 8 25.170 14.715 -6.360 1.00 0.00 C ATOM 106 C GLY A 8 26.326 13.719 -6.208 1.00 0.00 C ATOM 107 O GLY A 8 27.516 14.089 -6.251 1.00 0.00 O ATOM 0 H GLY A 8 24.353 15.824 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 8 24.548 14.394 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.586 15.686 -6.627 1.00 0.00 H new ATOM 111 N GLN A 9 25.970 12.490 -6.037 1.00 0.00 N ATOM 112 CA GLN A 9 26.884 11.363 -5.941 1.00 0.00 C ATOM 113 C GLN A 9 26.117 10.070 -6.109 1.00 0.00 C ATOM 114 O GLN A 9 26.637 8.977 -5.840 1.00 0.00 O ATOM 115 CB GLN A 9 27.663 11.387 -4.607 1.00 0.00 C ATOM 116 CG GLN A 9 26.815 11.721 -3.400 1.00 0.00 C ATOM 117 CD GLN A 9 27.617 11.773 -2.119 1.00 0.00 C ATOM 118 OE1 GLN A 9 28.585 11.044 -1.952 1.00 0.00 O ATOM 119 NE2 GLN A 9 27.270 12.681 -1.241 1.00 0.00 N ATOM 0 H GLN A 9 24.992 12.214 -5.955 1.00 0.00 H new ATOM 0 HA GLN A 9 27.620 11.438 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 9 28.127 10.413 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 9 28.470 12.116 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 9 26.328 12.683 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 9 26.025 10.977 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.457 13.272 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 9 27.813 12.797 -0.386 1.00 0.00 H new ATOM 128 N GLY A 10 24.884 10.199 -6.585 1.00 0.00 N ATOM 129 CA GLY A 10 24.037 9.060 -6.765 1.00 0.00 C ATOM 130 C GLY A 10 23.507 8.615 -5.445 1.00 0.00 C ATOM 131 O GLY A 10 23.307 7.433 -5.194 1.00 0.00 O ATOM 0 H GLY A 10 24.462 11.089 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.213 9.310 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.595 8.250 -7.235 1.00 0.00 H new ATOM 135 N GLN A 11 23.316 9.569 -4.578 1.00 0.00 N ATOM 136 CA GLN A 11 22.877 9.325 -3.262 1.00 0.00 C ATOM 137 C GLN A 11 21.403 9.424 -3.220 1.00 0.00 C ATOM 138 O GLN A 11 20.874 10.519 -3.198 1.00 0.00 O ATOM 139 CB GLN A 11 23.425 10.377 -2.334 1.00 0.00 C ATOM 140 CG GLN A 11 24.286 9.851 -1.242 1.00 0.00 C ATOM 141 CD GLN A 11 23.630 8.785 -0.388 1.00 0.00 C ATOM 142 OE1 GLN A 11 22.351 8.895 -0.163 1.00 0.00 O flip ATOM 143 NE2 GLN A 11 24.301 7.905 0.118 1.00 0.00 N flip ATOM 0 H GLN A 11 23.469 10.556 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 11 23.216 8.335 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 11 24.000 11.095 -2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 11 22.591 10.922 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 11 25.196 9.440 -1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 11 24.586 10.680 -0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 11 25.300 7.848 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.864 7.224 0.740 1.00 0.00 H new ATOM 152 N ALA A 12 20.741 8.337 -3.234 1.00 0.00 N ATOM 153 CA ALA A 12 19.327 8.377 -3.134 1.00 0.00 C ATOM 154 C ALA A 12 18.905 8.255 -1.685 1.00 0.00 C ATOM 155 O ALA A 12 19.051 7.197 -1.068 1.00 0.00 O ATOM 156 CB ALA A 12 18.675 7.338 -4.034 1.00 0.00 C ATOM 0 H ALA A 12 21.148 7.405 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 12 18.973 9.343 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.591 7.397 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.953 7.529 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 19.013 6.343 -3.745 1.00 0.00 H new ATOM 162 N TRP A 13 18.407 9.343 -1.157 1.00 0.00 N ATOM 163 CA TRP A 13 17.959 9.432 0.218 1.00 0.00 C ATOM 164 C TRP A 13 16.443 9.354 0.188 1.00 0.00 C ATOM 165 O TRP A 13 15.828 9.559 -0.867 1.00 0.00 O ATOM 166 CB TRP A 13 18.332 10.779 0.878 1.00 0.00 C ATOM 167 CG TRP A 13 19.762 11.195 0.816 1.00 0.00 C ATOM 168 CD1 TRP A 13 20.375 11.806 -0.230 1.00 0.00 C ATOM 169 CD2 TRP A 13 20.738 11.111 1.861 1.00 0.00 C ATOM 170 NE1 TRP A 13 21.686 12.052 0.066 1.00 0.00 N ATOM 171 CE2 TRP A 13 21.936 11.648 1.351 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.725 10.619 3.169 1.00 0.00 C ATOM 173 CZ2 TRP A 13 23.107 11.710 2.101 1.00 0.00 C ATOM 174 CZ3 TRP A 13 21.887 10.689 3.916 1.00 0.00 C ATOM 175 CH2 TRP A 13 23.064 11.229 3.376 1.00 0.00 C ATOM 0 H TRP A 13 18.297 10.213 -1.678 1.00 0.00 H new ATOM 0 HA TRP A 13 18.431 8.632 0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 13 17.732 11.561 0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 13 18.038 10.734 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.895 12.061 -1.163 1.00 0.00 H new ATOM 0 HE1 TRP A 13 22.368 12.469 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.826 10.193 3.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 24.015 12.124 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 21.888 10.322 4.932 1.00 0.00 H new ATOM 0 HH2 TRP A 13 23.956 11.264 3.984 1.00 0.00 H new ATOM 186 N ARG A 14 15.842 9.115 1.298 1.00 0.00 N ATOM 187 CA ARG A 14 14.407 8.961 1.370 1.00 0.00 C ATOM 188 C ARG A 14 13.895 9.660 2.596 1.00 0.00 C ATOM 189 O ARG A 14 14.478 9.548 3.666 1.00 0.00 O ATOM 190 CB ARG A 14 14.091 7.490 1.454 1.00 0.00 C ATOM 191 CG ARG A 14 13.220 6.908 0.340 1.00 0.00 C ATOM 192 CD ARG A 14 13.839 7.038 -1.051 1.00 0.00 C ATOM 193 NE ARG A 14 15.221 6.546 -1.126 1.00 0.00 N ATOM 194 CZ ARG A 14 15.710 5.662 -2.026 1.00 0.00 C ATOM 195 NH1 ARG A 14 14.904 5.075 -2.909 1.00 0.00 N ATOM 196 NH2 ARG A 14 17.016 5.372 -2.023 1.00 0.00 N ATOM 0 H ARG A 14 16.320 9.018 2.194 1.00 0.00 H new ATOM 0 HA ARG A 14 13.933 9.394 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 14 15.032 6.941 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.595 7.303 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.034 5.855 0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.253 7.410 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.227 6.488 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.818 8.085 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 14 15.876 6.906 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.907 5.290 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.284 4.410 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.636 5.816 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.392 4.707 -2.698 1.00 0.00 H new ATOM 210 N HIS A 15 12.841 10.395 2.443 1.00 0.00 N ATOM 211 CA HIS A 15 12.275 11.130 3.528 1.00 0.00 C ATOM 212 C HIS A 15 10.817 10.829 3.677 1.00 0.00 C ATOM 213 O HIS A 15 10.108 10.622 2.678 1.00 0.00 O ATOM 214 CB HIS A 15 12.486 12.630 3.358 1.00 0.00 C ATOM 215 CG HIS A 15 13.808 13.130 3.858 1.00 0.00 C ATOM 216 ND1 HIS A 15 13.919 14.168 4.747 1.00 0.00 N ATOM 217 CD2 HIS A 15 15.073 12.735 3.595 1.00 0.00 C ATOM 218 CE1 HIS A 15 15.183 14.390 5.005 1.00 0.00 C ATOM 219 NE2 HIS A 15 15.905 13.535 4.325 1.00 0.00 N ATOM 0 H HIS A 15 12.346 10.503 1.558 1.00 0.00 H new ATOM 0 HA HIS A 15 12.791 10.815 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.393 12.880 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.690 13.158 3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 15 15.371 11.936 2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.566 15.151 5.668 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.923 13.476 4.338 1.00 0.00 H new ATOM 228 N HIS A 16 10.379 10.807 4.899 1.00 0.00 N ATOM 229 CA HIS A 16 9.010 10.526 5.239 1.00 0.00 C ATOM 230 C HIS A 16 8.218 11.783 5.211 1.00 0.00 C ATOM 231 O HIS A 16 8.664 12.821 5.702 1.00 0.00 O ATOM 232 CB HIS A 16 8.890 9.953 6.641 1.00 0.00 C ATOM 233 CG HIS A 16 9.311 8.540 6.818 1.00 0.00 C ATOM 234 ND1 HIS A 16 8.567 7.650 7.536 1.00 0.00 N ATOM 235 CD2 HIS A 16 10.427 7.882 6.448 1.00 0.00 C ATOM 236 CE1 HIS A 16 9.192 6.510 7.607 1.00 0.00 C ATOM 237 NE2 HIS A 16 10.326 6.616 6.952 1.00 0.00 N ATOM 0 H HIS A 16 10.973 10.987 5.708 1.00 0.00 H new ATOM 0 HA HIS A 16 8.640 9.803 4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.482 10.572 7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 16 7.851 10.042 6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 16 11.245 8.279 5.865 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.838 5.627 8.118 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.018 5.875 6.838 1.00 0.00 H new ATOM 246 N ASN A 17 7.080 11.702 4.632 1.00 0.00 N ATOM 247 CA ASN A 17 6.133 12.772 4.633 1.00 0.00 C ATOM 248 C ASN A 17 4.931 12.345 5.405 1.00 0.00 C ATOM 249 O ASN A 17 4.557 11.158 5.354 1.00 0.00 O ATOM 250 CB ASN A 17 5.704 13.096 3.205 1.00 0.00 C ATOM 251 CG ASN A 17 6.844 13.531 2.305 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.822 13.266 1.102 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.824 14.211 2.852 1.00 0.00 N ATOM 0 H ASN A 17 6.765 10.873 4.129 1.00 0.00 H new ATOM 0 HA ASN A 17 6.588 13.655 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.227 12.217 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.953 13.886 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.600 14.538 2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.809 14.412 3.852 1.00 0.00 H new ATOM 260 N GLY A 18 4.341 13.276 6.114 1.00 0.00 N ATOM 261 CA GLY A 18 3.144 12.999 6.865 1.00 0.00 C ATOM 262 C GLY A 18 2.017 12.586 5.951 1.00 0.00 C ATOM 263 O GLY A 18 2.031 12.910 4.760 1.00 0.00 O ATOM 0 H GLY A 18 4.674 14.237 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.339 12.207 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.853 13.884 7.431 1.00 0.00 H new ATOM 267 N PHE A 19 1.067 11.863 6.485 1.00 0.00 N ATOM 268 CA PHE A 19 -0.054 11.354 5.701 1.00 0.00 C ATOM 269 C PHE A 19 -0.847 12.541 5.209 1.00 0.00 C ATOM 270 O PHE A 19 -1.293 13.352 6.025 1.00 0.00 O ATOM 271 CB PHE A 19 -0.977 10.479 6.579 1.00 0.00 C ATOM 272 CG PHE A 19 -0.267 9.517 7.506 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.390 8.409 7.015 1.00 0.00 C ATOM 274 CD2 PHE A 19 -0.265 9.730 8.877 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.035 7.531 7.866 1.00 0.00 C ATOM 276 CE2 PHE A 19 0.384 8.855 9.729 1.00 0.00 C ATOM 277 CZ PHE A 19 1.034 7.754 9.217 1.00 0.00 C ATOM 0 H PHE A 19 1.038 11.605 7.471 1.00 0.00 H new ATOM 0 HA PHE A 19 0.322 10.751 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.609 11.134 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.637 9.908 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.401 8.224 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.777 10.590 9.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.542 6.666 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.381 9.035 10.794 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.542 7.068 9.879 1.00 0.00 H new ATOM 287 N ASP A 20 -1.008 12.687 3.909 1.00 0.00 N ATOM 288 CA ASP A 20 -1.780 13.789 3.383 1.00 0.00 C ATOM 289 C ASP A 20 -3.218 13.488 3.621 1.00 0.00 C ATOM 290 O ASP A 20 -3.810 12.632 2.934 1.00 0.00 O ATOM 291 CB ASP A 20 -1.533 13.995 1.882 1.00 0.00 C ATOM 292 CG ASP A 20 -0.136 14.428 1.560 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.152 15.633 1.667 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.699 13.582 1.165 1.00 0.00 O ATOM 0 H ASP A 20 -0.617 12.061 3.205 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.480 14.709 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.747 13.065 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.232 14.742 1.506 1.00 0.00 H new ATOM 299 N PHE A 21 -3.785 14.149 4.603 1.00 0.00 N ATOM 300 CA PHE A 21 -5.124 13.853 5.034 1.00 0.00 C ATOM 301 C PHE A 21 -6.137 14.100 3.935 1.00 0.00 C ATOM 302 O PHE A 21 -7.071 13.376 3.833 1.00 0.00 O ATOM 303 CB PHE A 21 -5.496 14.600 6.315 1.00 0.00 C ATOM 304 CG PHE A 21 -6.739 14.052 6.963 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.664 12.957 7.803 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.980 14.614 6.714 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.800 12.427 8.377 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.122 14.091 7.292 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.033 12.995 8.124 1.00 0.00 C ATOM 0 H PHE A 21 -3.331 14.902 5.121 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.148 12.788 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.667 14.541 7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.645 15.655 6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.703 12.511 8.012 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.057 15.471 6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.725 11.566 9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.083 14.541 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.923 12.583 8.576 1.00 0.00 H new ATOM 319 N ALA A 22 -5.922 15.122 3.113 1.00 0.00 N ATOM 320 CA ALA A 22 -6.789 15.442 1.978 1.00 0.00 C ATOM 321 C ALA A 22 -7.001 14.242 1.059 1.00 0.00 C ATOM 322 O ALA A 22 -8.116 13.977 0.641 1.00 0.00 O ATOM 323 CB ALA A 22 -6.234 16.598 1.182 1.00 0.00 C ATOM 0 H ALA A 22 -5.133 15.760 3.215 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.756 15.723 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.897 16.815 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.158 17.477 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.245 16.338 0.804 1.00 0.00 H new ATOM 329 N VAL A 23 -5.931 13.502 0.785 1.00 0.00 N ATOM 330 CA VAL A 23 -5.998 12.309 -0.065 1.00 0.00 C ATOM 331 C VAL A 23 -6.850 11.235 0.620 1.00 0.00 C ATOM 332 O VAL A 23 -7.792 10.700 0.023 1.00 0.00 O ATOM 333 CB VAL A 23 -4.573 11.745 -0.360 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.645 10.529 -1.268 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.690 12.818 -0.982 1.00 0.00 C ATOM 0 H VAL A 23 -4.997 13.707 1.141 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.454 12.591 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.132 11.437 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.638 10.156 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.236 9.750 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.112 10.807 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.701 12.405 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.135 13.159 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.601 13.659 -0.295 1.00 0.00 H new ATOM 345 N ILE A 24 -6.523 10.967 1.894 1.00 0.00 N ATOM 346 CA ILE A 24 -7.267 10.014 2.746 1.00 0.00 C ATOM 347 C ILE A 24 -8.753 10.396 2.766 1.00 0.00 C ATOM 348 O ILE A 24 -9.623 9.572 2.579 1.00 0.00 O ATOM 349 CB ILE A 24 -6.737 10.080 4.220 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.206 9.898 4.291 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.451 9.080 5.131 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.696 8.585 3.750 1.00 0.00 C ATOM 0 H ILE A 24 -5.733 11.405 2.368 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.130 9.011 2.342 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.967 11.080 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.732 10.710 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.891 9.993 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.052 9.160 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.519 9.297 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.291 8.069 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.611 8.550 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.135 7.763 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.974 8.492 2.700 1.00 0.00 H new ATOM 364 N LYS A 25 -8.984 11.668 2.970 1.00 0.00 N ATOM 365 CA LYS A 25 -10.280 12.288 3.068 1.00 0.00 C ATOM 366 C LYS A 25 -11.075 12.094 1.782 1.00 0.00 C ATOM 367 O LYS A 25 -12.238 11.686 1.814 1.00 0.00 O ATOM 368 CB LYS A 25 -10.047 13.775 3.363 1.00 0.00 C ATOM 369 CG LYS A 25 -11.261 14.629 3.637 1.00 0.00 C ATOM 370 CD LYS A 25 -10.828 16.066 3.871 1.00 0.00 C ATOM 371 CE LYS A 25 -10.408 16.758 2.571 1.00 0.00 C ATOM 372 NZ LYS A 25 -11.527 16.893 1.609 1.00 0.00 N ATOM 0 H LYS A 25 -8.224 12.340 3.079 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.867 11.832 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.383 13.847 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.516 14.207 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.952 14.579 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.794 14.252 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.647 16.621 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.997 16.084 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.011 17.747 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.601 16.191 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.275 17.590 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.712 15.973 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.380 17.211 2.111 1.00 0.00 H new ATOM 386 N GLU A 26 -10.444 12.346 0.653 1.00 0.00 N ATOM 387 CA GLU A 26 -11.122 12.172 -0.623 1.00 0.00 C ATOM 388 C GLU A 26 -11.349 10.706 -0.977 1.00 0.00 C ATOM 389 O GLU A 26 -12.410 10.362 -1.513 1.00 0.00 O ATOM 390 CB GLU A 26 -10.458 12.949 -1.747 1.00 0.00 C ATOM 391 CG GLU A 26 -10.578 14.450 -1.557 1.00 0.00 C ATOM 392 CD GLU A 26 -9.897 15.234 -2.648 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.476 15.364 -3.748 1.00 0.00 O ATOM 394 OE2 GLU A 26 -8.775 15.749 -2.424 1.00 0.00 O ATOM 0 H GLU A 26 -9.478 12.667 0.588 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.114 12.606 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.404 12.675 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.911 12.668 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.632 14.724 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.146 14.725 -0.595 1.00 0.00 H new ATOM 401 N LEU A 27 -10.375 9.831 -0.679 1.00 0.00 N ATOM 402 CA LEU A 27 -10.589 8.394 -0.892 1.00 0.00 C ATOM 403 C LEU A 27 -11.706 7.916 0.024 1.00 0.00 C ATOM 404 O LEU A 27 -12.517 7.106 -0.371 1.00 0.00 O ATOM 405 CB LEU A 27 -9.300 7.546 -0.686 1.00 0.00 C ATOM 406 CG LEU A 27 -9.434 6.036 -0.996 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.060 5.812 -2.347 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.082 5.359 -0.935 1.00 0.00 C ATOM 0 H LEU A 27 -9.461 10.083 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.873 8.252 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.511 7.959 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.975 7.658 0.348 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.085 5.598 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.141 4.742 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.053 6.261 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.439 6.271 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.196 4.298 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.415 5.812 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.660 5.479 0.063 1.00 0.00 H new ATOM 420 N LYS A 28 -11.767 8.476 1.236 1.00 0.00 N ATOM 421 CA LYS A 28 -12.808 8.151 2.182 1.00 0.00 C ATOM 422 C LYS A 28 -14.169 8.585 1.652 1.00 0.00 C ATOM 423 O LYS A 28 -15.180 7.891 1.840 1.00 0.00 O ATOM 424 CB LYS A 28 -12.531 8.758 3.576 1.00 0.00 C ATOM 425 CG LYS A 28 -13.538 8.294 4.615 1.00 0.00 C ATOM 426 CD LYS A 28 -13.172 8.706 6.024 1.00 0.00 C ATOM 427 CE LYS A 28 -14.170 8.143 7.018 1.00 0.00 C ATOM 428 NZ LYS A 28 -14.294 6.669 6.897 1.00 0.00 N ATOM 0 H LYS A 28 -11.094 9.163 1.576 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.816 7.068 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.527 8.482 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.556 9.846 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.519 8.700 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.622 7.208 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.170 8.350 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.151 9.793 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.859 8.400 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.144 8.605 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.537 6.264 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.042 6.439 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.391 6.270 6.571 1.00 0.00 H new ATOM 442 N THR A 29 -14.186 9.686 0.914 1.00 0.00 N ATOM 443 CA THR A 29 -15.396 10.181 0.333 1.00 0.00 C ATOM 444 C THR A 29 -15.872 9.191 -0.734 1.00 0.00 C ATOM 445 O THR A 29 -17.021 8.715 -0.689 1.00 0.00 O ATOM 446 CB THR A 29 -15.176 11.582 -0.271 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.595 12.442 0.728 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.488 12.183 -0.736 1.00 0.00 C ATOM 0 H THR A 29 -13.360 10.248 0.710 1.00 0.00 H new ATOM 0 HA THR A 29 -16.161 10.275 1.104 1.00 0.00 H new ATOM 0 HB THR A 29 -14.510 11.489 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.682 12.145 0.924 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.306 13.171 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.934 11.540 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.169 12.270 0.111 1.00 0.00 H new ATOM 456 N ALA A 30 -14.967 8.828 -1.669 1.00 0.00 N ATOM 457 CA ALA A 30 -15.205 7.853 -2.697 1.00 0.00 C ATOM 458 C ALA A 30 -15.668 6.557 -2.092 1.00 0.00 C ATOM 459 O ALA A 30 -16.638 6.020 -2.475 1.00 0.00 O ATOM 460 CB ALA A 30 -13.921 7.629 -3.452 1.00 0.00 C ATOM 0 H ALA A 30 -14.031 9.231 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.981 8.216 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.085 6.891 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.593 8.568 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.155 7.267 -2.767 1.00 0.00 H new ATOM 466 N ALA A 31 -14.989 6.120 -1.119 1.00 0.00 N ATOM 467 CA ALA A 31 -15.281 4.919 -0.429 1.00 0.00 C ATOM 468 C ALA A 31 -16.677 4.923 0.232 1.00 0.00 C ATOM 469 O ALA A 31 -17.287 3.870 0.352 1.00 0.00 O ATOM 470 CB ALA A 31 -14.207 4.708 0.600 1.00 0.00 C ATOM 0 H ALA A 31 -14.170 6.607 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.301 4.101 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.405 3.788 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.239 4.634 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.197 5.549 1.293 1.00 0.00 H new ATOM 476 N SER A 32 -17.190 6.090 0.664 1.00 0.00 N ATOM 477 CA SER A 32 -18.462 6.128 1.375 1.00 0.00 C ATOM 478 C SER A 32 -19.613 6.218 0.393 1.00 0.00 C ATOM 479 O SER A 32 -20.651 5.573 0.522 1.00 0.00 O ATOM 480 CB SER A 32 -18.474 7.312 2.349 1.00 0.00 C ATOM 481 OG SER A 32 -17.359 7.254 3.233 1.00 0.00 O ATOM 0 H SER A 32 -16.746 6.999 0.532 1.00 0.00 H new ATOM 0 HA SER A 32 -18.582 5.208 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.452 8.248 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.400 7.306 2.924 1.00 0.00 H new ATOM 0 HG SER A 32 -16.634 7.812 2.882 1.00 0.00 H new ATOM 487 N GLN A 33 -19.367 6.967 -0.602 1.00 0.00 N ATOM 488 CA GLN A 33 -20.313 7.363 -1.584 1.00 0.00 C ATOM 489 C GLN A 33 -20.336 6.395 -2.788 1.00 0.00 C ATOM 490 O GLN A 33 -21.380 5.853 -3.148 1.00 0.00 O ATOM 491 CB GLN A 33 -19.870 8.771 -1.946 1.00 0.00 C ATOM 492 CG GLN A 33 -20.200 9.249 -3.292 1.00 0.00 C ATOM 493 CD GLN A 33 -21.670 9.533 -3.526 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.430 8.663 -3.927 1.00 0.00 O ATOM 495 NE2 GLN A 33 -22.063 10.753 -3.327 1.00 0.00 N ATOM 0 H GLN A 33 -18.438 7.352 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.343 7.340 -1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.310 9.460 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.789 8.828 -1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.633 10.159 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.869 8.506 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.402 11.454 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.033 11.012 -3.506 1.00 0.00 H new ATOM 504 N TYR A 34 -19.180 6.161 -3.325 1.00 0.00 N ATOM 505 CA TYR A 34 -18.936 5.370 -4.517 1.00 0.00 C ATOM 506 C TYR A 34 -18.630 3.941 -4.158 1.00 0.00 C ATOM 507 O TYR A 34 -18.994 3.025 -4.877 1.00 0.00 O ATOM 508 CB TYR A 34 -17.766 6.015 -5.296 1.00 0.00 C ATOM 509 CG TYR A 34 -18.187 7.180 -6.146 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.808 6.979 -7.372 1.00 0.00 C ATOM 511 CD2 TYR A 34 -18.004 8.470 -5.717 1.00 0.00 C ATOM 512 CE1 TYR A 34 -19.218 8.041 -8.148 1.00 0.00 C ATOM 513 CE2 TYR A 34 -18.415 9.533 -6.476 1.00 0.00 C ATOM 514 CZ TYR A 34 -19.025 9.318 -7.689 1.00 0.00 C ATOM 515 OH TYR A 34 -19.463 10.389 -8.432 1.00 0.00 O ATOM 0 H TYR A 34 -18.319 6.536 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.828 5.356 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.007 6.347 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.302 5.260 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -18.973 5.971 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.528 8.650 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.686 7.869 -9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.260 10.541 -6.121 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.248 11.222 -7.963 1.00 0.00 H new ATOM 525 N GLY A 35 -17.966 3.759 -3.042 1.00 0.00 N ATOM 526 CA GLY A 35 -17.635 2.447 -2.574 1.00 0.00 C ATOM 527 C GLY A 35 -16.586 1.810 -3.439 1.00 0.00 C ATOM 528 O GLY A 35 -15.961 2.478 -4.279 1.00 0.00 O ATOM 0 H GLY A 35 -17.644 4.516 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.277 2.504 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.530 1.825 -2.565 1.00 0.00 H new ATOM 532 N ALA A 36 -16.378 0.552 -3.251 1.00 0.00 N ATOM 533 CA ALA A 36 -15.430 -0.162 -4.046 1.00 0.00 C ATOM 534 C ALA A 36 -16.051 -0.546 -5.375 1.00 0.00 C ATOM 535 O ALA A 36 -17.272 -0.561 -5.509 1.00 0.00 O ATOM 536 CB ALA A 36 -14.916 -1.376 -3.343 1.00 0.00 C ATOM 0 H ALA A 36 -16.855 -0.011 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.580 0.498 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.198 -1.890 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.428 -1.080 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.746 -2.046 -3.119 1.00 0.00 H new ATOM 542 N THR A 37 -15.201 -0.777 -6.346 1.00 0.00 N ATOM 543 CA THR A 37 -15.586 -1.132 -7.707 1.00 0.00 C ATOM 544 C THR A 37 -16.015 0.101 -8.530 1.00 0.00 C ATOM 545 O THR A 37 -15.911 0.104 -9.762 1.00 0.00 O ATOM 546 CB THR A 37 -16.585 -2.325 -7.734 1.00 0.00 C ATOM 547 OG1 THR A 37 -15.932 -3.464 -7.134 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.022 -2.703 -9.139 1.00 0.00 C ATOM 0 H THR A 37 -14.191 -0.724 -6.216 1.00 0.00 H new ATOM 0 HA THR A 37 -14.701 -1.504 -8.223 1.00 0.00 H new ATOM 0 HB THR A 37 -17.479 -2.024 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.153 -3.503 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.718 -3.541 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.512 -1.851 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.150 -2.989 -9.727 1.00 0.00 H new ATOM 556 N ALA A 38 -16.431 1.172 -7.853 1.00 0.00 N ATOM 557 CA ALA A 38 -16.678 2.413 -8.546 1.00 0.00 C ATOM 558 C ALA A 38 -15.330 2.948 -9.037 1.00 0.00 C ATOM 559 O ALA A 38 -14.383 3.050 -8.244 1.00 0.00 O ATOM 560 CB ALA A 38 -17.338 3.409 -7.631 1.00 0.00 C ATOM 0 H ALA A 38 -16.598 1.196 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.350 2.247 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.516 4.338 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.288 3.006 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.689 3.605 -6.778 1.00 0.00 H new ATOM 566 N PRO A 39 -15.218 3.313 -10.339 1.00 0.00 N ATOM 567 CA PRO A 39 -13.939 3.693 -10.976 1.00 0.00 C ATOM 568 C PRO A 39 -13.243 4.902 -10.352 1.00 0.00 C ATOM 569 O PRO A 39 -12.104 5.201 -10.686 1.00 0.00 O ATOM 570 CB PRO A 39 -14.317 3.979 -12.443 1.00 0.00 C ATOM 571 CG PRO A 39 -15.784 4.227 -12.425 1.00 0.00 C ATOM 572 CD PRO A 39 -16.331 3.373 -11.307 1.00 0.00 C ATOM 0 HA PRO A 39 -13.210 2.892 -10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.776 4.843 -12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.068 3.135 -13.086 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.000 5.281 -12.254 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.238 3.960 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.224 3.815 -10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.609 2.380 -11.660 1.00 0.00 H new ATOM 580 N TYR A 40 -13.912 5.577 -9.444 1.00 0.00 N ATOM 581 CA TYR A 40 -13.332 6.714 -8.780 1.00 0.00 C ATOM 582 C TYR A 40 -12.392 6.195 -7.685 1.00 0.00 C ATOM 583 O TYR A 40 -11.162 6.303 -7.786 1.00 0.00 O ATOM 584 CB TYR A 40 -14.460 7.601 -8.173 1.00 0.00 C ATOM 585 CG TYR A 40 -14.018 8.997 -7.716 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.880 10.047 -8.616 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.764 9.253 -6.392 1.00 0.00 C ATOM 588 CE1 TYR A 40 -13.476 11.304 -8.189 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.363 10.503 -5.956 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.230 11.524 -6.854 1.00 0.00 C ATOM 591 OH TYR A 40 -12.809 12.776 -6.416 1.00 0.00 O ATOM 0 H TYR A 40 -14.863 5.354 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.769 7.327 -9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.251 7.712 -8.914 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.893 7.077 -7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.090 9.882 -9.662 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.880 8.457 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.355 12.106 -8.902 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.156 10.671 -4.909 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.683 12.757 -5.444 1.00 0.00 H new ATOM 601 N THR A 41 -12.996 5.580 -6.678 1.00 0.00 N ATOM 602 CA THR A 41 -12.373 5.033 -5.502 1.00 0.00 C ATOM 603 C THR A 41 -11.086 4.226 -5.796 1.00 0.00 C ATOM 604 O THR A 41 -10.016 4.564 -5.302 1.00 0.00 O ATOM 605 CB THR A 41 -13.412 4.137 -4.848 1.00 0.00 C ATOM 606 OG1 THR A 41 -14.709 4.750 -5.004 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.136 3.941 -3.380 1.00 0.00 C ATOM 0 H THR A 41 -14.007 5.446 -6.670 1.00 0.00 H new ATOM 0 HA THR A 41 -12.054 5.851 -4.856 1.00 0.00 H new ATOM 0 HB THR A 41 -13.377 3.160 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.408 4.088 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.901 3.295 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.157 3.479 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.150 4.907 -2.875 1.00 0.00 H new ATOM 615 N LEU A 42 -11.169 3.203 -6.627 1.00 0.00 N ATOM 616 CA LEU A 42 -9.976 2.396 -6.887 1.00 0.00 C ATOM 617 C LEU A 42 -8.923 3.076 -7.728 1.00 0.00 C ATOM 618 O LEU A 42 -7.763 2.720 -7.649 1.00 0.00 O ATOM 619 CB LEU A 42 -10.191 0.894 -7.249 1.00 0.00 C ATOM 620 CG LEU A 42 -11.272 0.492 -8.271 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.633 0.566 -7.643 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.202 1.326 -9.546 1.00 0.00 C ATOM 0 H LEU A 42 -12.013 2.913 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.557 2.332 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.239 0.510 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.410 0.366 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.080 -0.539 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.388 0.280 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.678 -0.113 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.823 1.585 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.984 1.005 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.345 2.378 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.228 1.192 -10.016 1.00 0.00 H new ATOM 634 N ALA A 43 -9.312 4.086 -8.510 1.00 0.00 N ATOM 635 CA ALA A 43 -8.335 4.846 -9.280 1.00 0.00 C ATOM 636 C ALA A 43 -7.431 5.574 -8.315 1.00 0.00 C ATOM 637 O ALA A 43 -6.228 5.762 -8.548 1.00 0.00 O ATOM 638 CB ALA A 43 -9.019 5.828 -10.201 1.00 0.00 C ATOM 0 H ALA A 43 -10.279 4.390 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.752 4.166 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.268 6.382 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.666 5.288 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.617 6.523 -9.612 1.00 0.00 H new ATOM 644 N ILE A 44 -8.020 5.931 -7.203 1.00 0.00 N ATOM 645 CA ILE A 44 -7.322 6.580 -6.146 1.00 0.00 C ATOM 646 C ILE A 44 -6.413 5.551 -5.434 1.00 0.00 C ATOM 647 O ILE A 44 -5.267 5.837 -5.146 1.00 0.00 O ATOM 648 CB ILE A 44 -8.319 7.210 -5.156 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.307 8.120 -5.899 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.574 8.014 -4.091 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.511 8.513 -5.085 1.00 0.00 C ATOM 0 H ILE A 44 -9.010 5.773 -7.013 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.703 7.381 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.874 6.408 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.785 9.023 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.643 7.612 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.292 8.453 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.899 7.356 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.999 8.807 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.159 9.155 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.059 7.618 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.188 9.051 -4.194 1.00 0.00 H new ATOM 663 N VAL A 45 -6.920 4.334 -5.229 1.00 0.00 N ATOM 664 CA VAL A 45 -6.140 3.257 -4.560 1.00 0.00 C ATOM 665 C VAL A 45 -4.856 2.944 -5.382 1.00 0.00 C ATOM 666 O VAL A 45 -3.746 2.798 -4.835 1.00 0.00 O ATOM 667 CB VAL A 45 -6.978 1.940 -4.365 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.175 0.882 -3.609 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.299 2.199 -3.649 1.00 0.00 C ATOM 0 H VAL A 45 -7.861 4.057 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.871 3.622 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.206 1.566 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.780 -0.017 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.273 0.640 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.899 1.267 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.842 1.261 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.102 2.624 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.898 2.898 -4.232 1.00 0.00 H new ATOM 679 N GLU A 46 -5.016 2.892 -6.685 1.00 0.00 N ATOM 680 CA GLU A 46 -3.908 2.652 -7.610 1.00 0.00 C ATOM 681 C GLU A 46 -2.848 3.763 -7.540 1.00 0.00 C ATOM 682 O GLU A 46 -1.643 3.489 -7.487 1.00 0.00 O ATOM 683 CB GLU A 46 -4.447 2.561 -9.022 1.00 0.00 C ATOM 684 CG GLU A 46 -5.419 1.427 -9.226 1.00 0.00 C ATOM 685 CD GLU A 46 -4.774 0.068 -9.195 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.897 -0.222 -10.040 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.162 -0.753 -8.381 1.00 0.00 O ATOM 0 H GLU A 46 -5.918 3.014 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.429 1.717 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.939 3.500 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.613 2.442 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.186 1.474 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.923 1.559 -10.184 1.00 0.00 H new ATOM 694 N SER A 47 -3.307 5.005 -7.515 1.00 0.00 N ATOM 695 CA SER A 47 -2.417 6.148 -7.523 1.00 0.00 C ATOM 696 C SER A 47 -1.768 6.417 -6.168 1.00 0.00 C ATOM 697 O SER A 47 -0.635 6.922 -6.103 1.00 0.00 O ATOM 698 CB SER A 47 -3.125 7.382 -8.091 1.00 0.00 C ATOM 699 OG SER A 47 -4.436 7.514 -7.556 1.00 0.00 O ATOM 0 H SER A 47 -4.298 5.244 -7.489 1.00 0.00 H new ATOM 0 HA SER A 47 -1.589 5.903 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.544 8.275 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.178 7.306 -9.177 1.00 0.00 H new ATOM 0 HG SER A 47 -5.058 6.961 -8.074 1.00 0.00 H new ATOM 705 N VAL A 48 -2.446 6.055 -5.084 1.00 0.00 N ATOM 706 CA VAL A 48 -1.859 6.213 -3.767 1.00 0.00 C ATOM 707 C VAL A 48 -0.724 5.221 -3.565 1.00 0.00 C ATOM 708 O VAL A 48 0.311 5.554 -2.987 1.00 0.00 O ATOM 709 CB VAL A 48 -2.900 6.166 -2.592 1.00 0.00 C ATOM 710 CG1 VAL A 48 -3.925 7.273 -2.727 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.602 4.818 -2.467 1.00 0.00 C ATOM 0 H VAL A 48 -3.385 5.658 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.449 7.222 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.326 6.315 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.633 7.216 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.421 8.239 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.459 7.161 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.308 4.851 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.138 4.600 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.863 4.038 -2.284 1.00 0.00 H new ATOM 721 N ALA A 49 -0.872 4.044 -4.130 1.00 0.00 N ATOM 722 CA ALA A 49 0.155 3.028 -4.026 1.00 0.00 C ATOM 723 C ALA A 49 1.201 3.188 -5.113 1.00 0.00 C ATOM 724 O ALA A 49 2.079 2.362 -5.241 1.00 0.00 O ATOM 725 CB ALA A 49 -0.450 1.626 -4.035 1.00 0.00 C ATOM 0 H ALA A 49 -1.693 3.765 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 49 0.657 3.162 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.346 0.886 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.131 1.518 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.997 1.472 -4.965 1.00 0.00 H new ATOM 731 N ASP A 50 1.120 4.266 -5.891 1.00 0.00 N ATOM 732 CA ASP A 50 2.127 4.496 -6.928 1.00 0.00 C ATOM 733 C ASP A 50 3.303 5.249 -6.340 1.00 0.00 C ATOM 734 O ASP A 50 4.336 5.468 -6.988 1.00 0.00 O ATOM 735 CB ASP A 50 1.543 5.231 -8.136 1.00 0.00 C ATOM 736 CG ASP A 50 2.368 5.011 -9.380 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.310 3.892 -9.943 1.00 0.00 O ATOM 738 OD2 ASP A 50 3.068 5.930 -9.832 1.00 0.00 O ATOM 0 H ASP A 50 0.390 4.976 -5.828 1.00 0.00 H new ATOM 0 HA ASP A 50 2.473 3.528 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.523 4.889 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.488 6.298 -7.920 1.00 0.00 H new ATOM 743 N ASN A 51 3.143 5.623 -5.083 1.00 0.00 N ATOM 744 CA ASN A 51 4.189 6.275 -4.321 1.00 0.00 C ATOM 745 C ASN A 51 4.918 5.174 -3.584 1.00 0.00 C ATOM 746 O ASN A 51 4.471 4.044 -3.595 1.00 0.00 O ATOM 747 CB ASN A 51 3.609 7.245 -3.262 1.00 0.00 C ATOM 748 CG ASN A 51 2.661 8.300 -3.796 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.079 9.372 -4.227 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.386 8.037 -3.707 1.00 0.00 N ATOM 0 H ASN A 51 2.278 5.481 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 51 4.828 6.849 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.085 6.660 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.437 7.746 -2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.700 8.733 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.075 7.136 -3.344 1.00 0.00 H new ATOM 757 N TRP A 52 5.990 5.491 -2.912 1.00 0.00 N ATOM 758 CA TRP A 52 6.729 4.480 -2.158 1.00 0.00 C ATOM 759 C TRP A 52 6.402 4.605 -0.680 1.00 0.00 C ATOM 760 O TRP A 52 7.199 4.232 0.182 1.00 0.00 O ATOM 761 CB TRP A 52 8.237 4.651 -2.371 1.00 0.00 C ATOM 762 CG TRP A 52 8.689 4.649 -3.807 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.072 4.085 -4.882 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.882 5.237 -4.298 1.00 0.00 C ATOM 765 NE1 TRP A 52 8.815 4.300 -6.019 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.936 5.000 -5.689 1.00 0.00 C ATOM 767 CE3 TRP A 52 10.905 5.942 -3.697 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.989 5.450 -6.485 1.00 0.00 C ATOM 769 CZ3 TRP A 52 11.954 6.386 -4.482 1.00 0.00 C ATOM 770 CH2 TRP A 52 11.992 6.138 -5.862 1.00 0.00 C ATOM 0 H TRP A 52 6.381 6.432 -2.862 1.00 0.00 H new ATOM 0 HA TRP A 52 6.435 3.492 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.548 5.589 -1.911 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.755 3.850 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.136 3.547 -4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.567 3.986 -6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.887 6.143 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.011 5.263 -7.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.762 6.936 -4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.829 6.497 -6.443 1.00 0.00 H new ATOM 781 N LEU A 53 5.281 5.254 -0.410 1.00 0.00 N ATOM 782 CA LEU A 53 4.688 5.484 0.915 1.00 0.00 C ATOM 783 C LEU A 53 4.850 4.292 1.882 1.00 0.00 C ATOM 784 O LEU A 53 4.883 3.140 1.465 1.00 0.00 O ATOM 785 CB LEU A 53 3.194 5.864 0.782 1.00 0.00 C ATOM 786 CG LEU A 53 2.172 4.762 0.375 1.00 0.00 C ATOM 787 CD1 LEU A 53 0.784 5.357 0.304 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.513 4.094 -0.958 1.00 0.00 C ATOM 0 H LEU A 53 4.717 5.665 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 53 5.243 6.313 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.872 6.275 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.122 6.668 0.049 1.00 0.00 H new ATOM 0 HG LEU A 53 2.217 3.988 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.071 4.584 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.511 5.761 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.768 6.156 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.764 3.336 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.523 4.844 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.495 3.626 -0.890 1.00 0.00 H new ATOM 800 N THR A 54 4.889 4.604 3.166 1.00 0.00 N ATOM 801 CA THR A 54 5.192 3.639 4.207 1.00 0.00 C ATOM 802 C THR A 54 4.050 2.638 4.400 1.00 0.00 C ATOM 803 O THR A 54 2.909 2.898 3.972 1.00 0.00 O ATOM 804 CB THR A 54 5.465 4.369 5.564 1.00 0.00 C ATOM 805 OG1 THR A 54 4.301 5.089 5.993 1.00 0.00 O ATOM 806 CG2 THR A 54 6.596 5.348 5.434 1.00 0.00 C ATOM 0 H THR A 54 4.709 5.544 3.518 1.00 0.00 H new ATOM 0 HA THR A 54 6.082 3.094 3.892 1.00 0.00 H new ATOM 0 HB THR A 54 5.725 3.602 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.224 5.921 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.763 5.840 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.501 4.820 5.134 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.346 6.095 4.681 1.00 0.00 H new ATOM 814 N PRO A 55 4.309 1.485 5.096 1.00 0.00 N ATOM 815 CA PRO A 55 3.256 0.541 5.424 1.00 0.00 C ATOM 816 C PRO A 55 2.361 1.183 6.468 1.00 0.00 C ATOM 817 O PRO A 55 1.192 0.835 6.624 1.00 0.00 O ATOM 818 CB PRO A 55 4.002 -0.680 6.009 1.00 0.00 C ATOM 819 CG PRO A 55 5.438 -0.468 5.638 1.00 0.00 C ATOM 820 CD PRO A 55 5.617 1.023 5.594 1.00 0.00 C ATOM 0 HA PRO A 55 2.633 0.255 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.878 -0.738 7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.620 -1.613 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.105 -0.923 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.667 -0.921 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.845 1.434 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.431 1.315 4.930 1.00 0.00 H new ATOM 828 N THR A 56 2.942 2.158 7.147 1.00 0.00 N ATOM 829 CA THR A 56 2.287 2.970 8.108 1.00 0.00 C ATOM 830 C THR A 56 1.235 3.828 7.367 1.00 0.00 C ATOM 831 O THR A 56 0.073 3.877 7.777 1.00 0.00 O ATOM 832 CB THR A 56 3.336 3.871 8.761 1.00 0.00 C ATOM 833 OG1 THR A 56 4.526 3.084 9.016 1.00 0.00 O ATOM 834 CG2 THR A 56 2.824 4.448 10.070 1.00 0.00 C ATOM 0 H THR A 56 3.925 2.400 7.024 1.00 0.00 H new ATOM 0 HA THR A 56 1.796 2.370 8.874 1.00 0.00 H new ATOM 0 HB THR A 56 3.558 4.700 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.209 3.649 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.591 5.084 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.927 5.038 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.586 3.636 10.757 1.00 0.00 H new ATOM 842 N ASP A 57 1.651 4.440 6.225 1.00 0.00 N ATOM 843 CA ASP A 57 0.750 5.220 5.353 1.00 0.00 C ATOM 844 C ASP A 57 -0.353 4.322 4.899 1.00 0.00 C ATOM 845 O ASP A 57 -1.519 4.628 5.085 1.00 0.00 O ATOM 846 CB ASP A 57 1.449 5.778 4.074 1.00 0.00 C ATOM 847 CG ASP A 57 2.384 6.972 4.252 1.00 0.00 C ATOM 848 OD1 ASP A 57 1.911 8.113 4.319 1.00 0.00 O ATOM 849 OD2 ASP A 57 3.624 6.794 4.215 1.00 0.00 O ATOM 0 H ASP A 57 2.614 4.403 5.891 1.00 0.00 H new ATOM 0 HA ASP A 57 0.399 6.069 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.019 4.967 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.674 6.060 3.362 1.00 0.00 H new ATOM 854 N TRP A 58 0.047 3.177 4.335 1.00 0.00 N ATOM 855 CA TRP A 58 -0.869 2.154 3.849 1.00 0.00 C ATOM 856 C TRP A 58 -1.925 1.767 4.877 1.00 0.00 C ATOM 857 O TRP A 58 -3.117 1.963 4.662 1.00 0.00 O ATOM 858 CB TRP A 58 -0.107 0.882 3.448 1.00 0.00 C ATOM 859 CG TRP A 58 0.379 0.818 2.036 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.276 1.773 1.081 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.027 -0.306 1.407 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.813 1.312 -0.103 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.286 0.052 0.076 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.415 -1.574 1.850 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.914 -0.809 -0.827 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.039 -2.434 0.951 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.282 -2.045 -0.371 1.00 0.00 C ATOM 0 H TRP A 58 1.030 2.937 4.204 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.368 2.593 2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.752 0.775 4.111 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.756 0.024 3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.161 2.750 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.849 1.836 -0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.234 -1.880 2.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.102 -0.510 -1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.341 -3.418 1.279 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.770 -2.734 -1.045 1.00 0.00 H new ATOM 878 N ASN A 59 -1.486 1.229 5.983 1.00 0.00 N ATOM 879 CA ASN A 59 -2.393 0.683 6.980 1.00 0.00 C ATOM 880 C ASN A 59 -3.349 1.747 7.515 1.00 0.00 C ATOM 881 O ASN A 59 -4.547 1.492 7.675 1.00 0.00 O ATOM 882 CB ASN A 59 -1.630 0.022 8.115 1.00 0.00 C ATOM 883 CG ASN A 59 -2.540 -0.771 9.019 1.00 0.00 C ATOM 884 OD1 ASN A 59 -3.556 -1.315 8.579 1.00 0.00 O ATOM 885 ND2 ASN A 59 -2.194 -0.855 10.262 1.00 0.00 N ATOM 0 H ASN A 59 -0.498 1.153 6.226 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.993 -0.081 6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.865 -0.636 7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.114 0.785 8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.769 -1.385 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.346 -0.391 10.588 1.00 0.00 H new ATOM 892 N THR A 60 -2.825 2.956 7.662 1.00 0.00 N ATOM 893 CA THR A 60 -3.641 4.061 8.152 1.00 0.00 C ATOM 894 C THR A 60 -4.674 4.440 7.080 1.00 0.00 C ATOM 895 O THR A 60 -5.848 4.709 7.382 1.00 0.00 O ATOM 896 CB THR A 60 -2.761 5.291 8.498 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.719 4.883 9.390 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.578 6.396 9.175 1.00 0.00 C ATOM 0 H THR A 60 -1.856 3.196 7.454 1.00 0.00 H new ATOM 0 HA THR A 60 -4.151 3.745 9.062 1.00 0.00 H new ATOM 0 HB THR A 60 -2.350 5.685 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.925 4.633 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.928 7.241 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.375 6.721 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.012 6.013 10.099 1.00 0.00 H new ATOM 906 N LEU A 61 -4.240 4.360 5.834 1.00 0.00 N ATOM 907 CA LEU A 61 -5.033 4.732 4.700 1.00 0.00 C ATOM 908 C LEU A 61 -6.280 3.847 4.643 1.00 0.00 C ATOM 909 O LEU A 61 -7.381 4.351 4.815 1.00 0.00 O ATOM 910 CB LEU A 61 -4.152 4.640 3.426 1.00 0.00 C ATOM 911 CG LEU A 61 -4.643 5.244 2.105 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.467 5.361 1.155 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.714 4.385 1.461 1.00 0.00 C ATOM 0 H LEU A 61 -3.307 4.027 5.589 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.384 5.761 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.196 5.108 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.954 3.583 3.245 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.075 6.223 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.803 5.790 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.706 6.005 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.045 4.372 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.037 4.845 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.311 3.393 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.565 4.298 2.136 1.00 0.00 H new ATOM 925 N VAL A 62 -6.090 2.522 4.510 1.00 0.00 N ATOM 926 CA VAL A 62 -7.226 1.580 4.390 1.00 0.00 C ATOM 927 C VAL A 62 -8.202 1.690 5.554 1.00 0.00 C ATOM 928 O VAL A 62 -9.412 1.854 5.351 1.00 0.00 O ATOM 929 CB VAL A 62 -6.776 0.079 4.207 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.832 -0.380 5.306 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.980 -0.836 4.174 1.00 0.00 C ATOM 0 H VAL A 62 -5.172 2.079 4.483 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.741 1.884 3.478 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.242 0.027 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.552 -1.419 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.937 0.243 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.329 -0.293 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.650 -1.867 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.532 -0.744 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.626 -0.557 3.342 1.00 0.00 H new ATOM 941 N ARG A 63 -7.652 1.666 6.756 1.00 0.00 N ATOM 942 CA ARG A 63 -8.466 1.643 7.980 1.00 0.00 C ATOM 943 C ARG A 63 -9.297 2.920 8.161 1.00 0.00 C ATOM 944 O ARG A 63 -10.255 2.932 8.931 1.00 0.00 O ATOM 945 CB ARG A 63 -7.624 1.334 9.230 1.00 0.00 C ATOM 946 CG ARG A 63 -6.707 2.435 9.664 1.00 0.00 C ATOM 947 CD ARG A 63 -5.839 1.979 10.810 1.00 0.00 C ATOM 948 NE ARG A 63 -5.035 3.087 11.349 1.00 0.00 N ATOM 949 CZ ARG A 63 -3.801 2.982 11.877 1.00 0.00 C ATOM 950 NH1 ARG A 63 -3.244 1.787 12.055 1.00 0.00 N ATOM 951 NH2 ARG A 63 -3.159 4.082 12.272 1.00 0.00 N ATOM 0 H ARG A 63 -6.645 1.662 6.921 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.174 0.824 7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.297 1.097 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.029 0.441 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.081 2.746 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.291 3.305 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.465 1.564 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.179 1.179 10.473 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.450 4.018 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.752 0.943 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.309 1.715 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.603 4.995 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.224 4.010 12.673 1.00 0.00 H new ATOM 965 N ALA A 64 -8.908 3.993 7.503 1.00 0.00 N ATOM 966 CA ALA A 64 -9.683 5.214 7.568 1.00 0.00 C ATOM 967 C ALA A 64 -10.592 5.370 6.351 1.00 0.00 C ATOM 968 O ALA A 64 -11.799 5.597 6.490 1.00 0.00 O ATOM 969 CB ALA A 64 -8.759 6.421 7.692 1.00 0.00 C ATOM 0 H ALA A 64 -8.070 4.045 6.924 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.318 5.156 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.355 7.332 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.162 6.330 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.099 6.464 6.826 1.00 0.00 H new ATOM 975 N VAL A 65 -9.990 5.291 5.207 1.00 0.00 N ATOM 976 CA VAL A 65 -10.698 5.545 3.940 1.00 0.00 C ATOM 977 C VAL A 65 -12.016 4.777 3.748 1.00 0.00 C ATOM 978 O VAL A 65 -13.045 5.389 3.487 1.00 0.00 O ATOM 979 CB VAL A 65 -9.817 5.458 2.669 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.684 6.456 2.748 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.291 4.054 2.432 1.00 0.00 C ATOM 0 H VAL A 65 -9.004 5.053 5.098 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.974 6.592 4.063 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.446 5.707 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.073 6.384 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.092 7.464 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.070 6.241 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.679 4.042 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.687 3.743 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.129 3.367 2.311 1.00 0.00 H new ATOM 991 N LEU A 66 -12.022 3.498 3.925 1.00 0.00 N ATOM 992 CA LEU A 66 -13.225 2.772 3.641 1.00 0.00 C ATOM 993 C LEU A 66 -13.630 2.054 4.910 1.00 0.00 C ATOM 994 O LEU A 66 -12.824 1.953 5.835 1.00 0.00 O ATOM 995 CB LEU A 66 -12.997 1.869 2.367 1.00 0.00 C ATOM 996 CG LEU A 66 -14.234 1.347 1.558 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.816 0.985 0.151 1.00 0.00 C ATOM 998 CD2 LEU A 66 -14.859 0.129 2.204 1.00 0.00 C ATOM 0 H LEU A 66 -11.234 2.941 4.256 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.068 3.408 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.369 2.432 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.422 0.998 2.683 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.971 2.150 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.682 0.623 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.409 1.866 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.056 0.205 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.713 -0.200 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.123 -0.673 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.192 0.382 3.211 1.00 0.00 H new ATOM 1010 N SER A 67 -14.845 1.654 4.993 1.00 0.00 N ATOM 1011 CA SER A 67 -15.322 1.028 6.211 1.00 0.00 C ATOM 1012 C SER A 67 -16.250 -0.147 5.889 1.00 0.00 C ATOM 1013 O SER A 67 -16.872 -0.199 4.809 1.00 0.00 O ATOM 1014 CB SER A 67 -16.027 2.086 7.102 1.00 0.00 C ATOM 1015 OG SER A 67 -16.346 1.595 8.399 1.00 0.00 O ATOM 0 H SER A 67 -15.538 1.739 4.249 1.00 0.00 H new ATOM 0 HA SER A 67 -14.473 0.626 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.383 2.960 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.941 2.417 6.610 1.00 0.00 H new ATOM 0 HG SER A 67 -16.786 2.301 8.917 1.00 0.00 H new ATOM 1021 N GLY A 68 -16.286 -1.105 6.783 1.00 0.00 N ATOM 1022 CA GLY A 68 -17.147 -2.233 6.642 1.00 0.00 C ATOM 1023 C GLY A 68 -16.511 -3.359 5.857 1.00 0.00 C ATOM 1024 O GLY A 68 -16.011 -4.335 6.433 1.00 0.00 O ATOM 0 H GLY A 68 -15.714 -1.116 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.426 -2.597 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.066 -1.923 6.145 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.486 -3.200 4.563 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.017 -4.253 3.703 1.00 0.00 C ATOM 1030 C GLY A 69 -14.529 -4.207 3.472 1.00 0.00 C ATOM 1031 O GLY A 69 -13.914 -5.237 3.154 1.00 0.00 O ATOM 0 H GLY A 69 -16.784 -2.353 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.281 -5.216 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.530 -4.186 2.744 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.952 -3.026 3.673 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.524 -2.734 3.396 1.00 0.00 C ATOM 1037 C ASP A 70 -11.614 -3.830 3.884 1.00 0.00 C ATOM 1038 O ASP A 70 -10.892 -4.447 3.088 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.111 -1.385 4.034 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.277 -1.337 5.546 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.411 -1.523 6.030 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.276 -1.209 6.272 1.00 0.00 O ATOM 0 H ASP A 70 -14.461 -2.222 4.039 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.417 -2.671 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.069 -1.182 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.705 -0.587 3.588 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.746 -4.130 5.147 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.937 -5.086 5.823 1.00 0.00 C ATOM 1049 C HIS A 71 -11.045 -6.453 5.145 1.00 0.00 C ATOM 1050 O HIS A 71 -10.038 -7.048 4.793 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.360 -5.145 7.293 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.442 -5.912 8.182 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.831 -7.013 8.886 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -9.160 -5.686 8.529 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -9.836 -7.435 9.627 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.812 -6.651 9.429 1.00 0.00 N ATOM 0 H HIS A 71 -12.447 -3.696 5.748 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.890 -4.788 5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.443 -4.127 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.354 -5.589 7.352 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.527 -4.891 8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.860 -8.288 10.290 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.899 -6.744 9.875 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.260 -6.895 4.871 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.439 -8.208 4.307 1.00 0.00 C ATOM 1067 C LEU A 72 -11.806 -8.444 2.915 1.00 0.00 C ATOM 1068 O LEU A 72 -10.996 -9.333 2.776 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.854 -8.826 4.536 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.103 -8.001 4.161 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.323 -7.919 2.661 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.342 -8.538 4.857 1.00 0.00 C ATOM 0 H LEU A 72 -13.120 -6.369 5.029 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.797 -8.833 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.898 -9.761 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.934 -9.081 5.593 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.919 -6.985 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.215 -7.327 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.459 -7.448 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.453 -8.923 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.207 -7.938 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.506 -9.574 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.203 -8.488 5.937 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.099 -7.655 1.905 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.419 -7.955 0.620 1.00 0.00 C ATOM 1086 C LEU A 73 -10.101 -7.278 0.454 1.00 0.00 C ATOM 1087 O LEU A 73 -9.114 -7.960 0.151 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.262 -7.869 -0.648 1.00 0.00 C ATOM 1089 CG LEU A 73 -12.947 -9.167 -1.133 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -11.936 -10.264 -1.447 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -13.967 -9.665 -0.141 1.00 0.00 C ATOM 0 H LEU A 73 -12.742 -6.863 1.915 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.229 -9.022 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.036 -7.118 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.624 -7.503 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.466 -8.913 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.462 -11.157 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.261 -9.923 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.362 -10.497 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.426 -10.579 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.478 -9.871 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.736 -8.906 0.003 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.056 -5.943 0.647 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.805 -5.223 0.556 1.00 0.00 C ATOM 1105 C TRP A 74 -7.761 -5.881 1.482 1.00 0.00 C ATOM 1106 O TRP A 74 -6.646 -6.147 1.122 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.948 -3.739 1.004 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.666 -2.672 0.116 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.616 -2.792 -0.885 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.389 -1.276 0.197 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.989 -1.519 -1.345 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.256 -0.578 -0.668 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.504 -0.579 0.952 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.250 0.824 -0.777 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.466 0.821 0.862 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.355 1.515 0.012 1.00 0.00 C ATOM 0 H TRP A 74 -10.868 -5.365 0.863 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.497 -5.255 -0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.465 -3.749 1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.940 -3.368 1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.011 -3.726 -1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.688 -1.326 -2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.832 -1.099 1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.919 1.338 -1.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.748 1.374 1.450 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.334 2.594 -0.020 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.144 -6.107 2.661 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.201 -6.566 3.657 1.00 0.00 C ATOM 1129 C LYS A 75 -6.966 -8.037 3.792 1.00 0.00 C ATOM 1130 O LYS A 75 -5.798 -8.440 3.925 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.301 -5.815 4.931 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.231 -4.344 4.660 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.852 -3.907 4.149 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.893 -3.801 5.336 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.549 -3.359 4.965 1.00 0.00 N ATOM 0 H LYS A 75 -9.102 -5.991 2.993 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.244 -6.295 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.237 -6.057 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.494 -6.109 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.989 -4.077 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.467 -3.798 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.474 -4.626 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.926 -2.947 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.307 -3.105 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.825 -4.773 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.080 -2.940 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.996 -4.173 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.614 -2.649 4.208 1.00 0.00 H new ATOM 1149 N SER A 76 -8.009 -8.863 3.765 1.00 0.00 N ATOM 1150 CA SER A 76 -7.778 -10.271 3.911 1.00 0.00 C ATOM 1151 C SER A 76 -7.011 -10.765 2.726 1.00 0.00 C ATOM 1152 O SER A 76 -6.087 -11.568 2.876 1.00 0.00 O ATOM 1153 CB SER A 76 -9.058 -11.065 4.126 1.00 0.00 C ATOM 1154 OG SER A 76 -9.749 -10.594 5.274 1.00 0.00 O ATOM 0 H SER A 76 -8.983 -8.583 3.647 1.00 0.00 H new ATOM 0 HA SER A 76 -7.190 -10.427 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.698 -10.979 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.821 -12.122 4.245 1.00 0.00 H new ATOM 0 HG SER A 76 -10.571 -11.114 5.397 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.303 -10.214 1.535 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.534 -10.631 0.419 1.00 0.00 C ATOM 1162 C GLU A 77 -5.204 -9.972 0.448 1.00 0.00 C ATOM 1163 O GLU A 77 -4.288 -10.500 -0.135 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.167 -10.419 -0.941 1.00 0.00 C ATOM 1165 CG GLU A 77 -6.471 -11.257 -2.041 1.00 0.00 C ATOM 1166 CD GLU A 77 -6.998 -11.059 -3.443 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.018 -11.687 -3.814 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -6.390 -10.282 -4.234 1.00 0.00 O ATOM 0 H GLU A 77 -8.029 -9.520 1.354 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.455 -11.712 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.223 -10.686 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.117 -9.362 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.407 -11.020 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.564 -12.312 -1.783 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.068 -8.812 1.118 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.762 -8.200 1.167 1.00 0.00 C ATOM 1177 C PHE A 78 -2.744 -9.185 1.742 1.00 0.00 C ATOM 1178 O PHE A 78 -1.674 -9.414 1.183 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.771 -6.879 1.960 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.428 -6.224 2.124 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.717 -5.805 1.023 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.897 -6.013 3.389 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.495 -5.185 1.171 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.684 -5.403 3.544 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.023 -4.982 2.439 1.00 0.00 C ATOM 0 H PHE A 78 -5.814 -8.314 1.604 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.470 -7.949 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.441 -6.179 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.188 -7.070 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.120 -5.963 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.448 -6.334 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.056 -4.859 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.279 -5.251 4.534 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.979 -4.495 2.561 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.127 -9.814 2.804 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.280 -10.772 3.452 1.00 0.00 C ATOM 1197 C PHE A 79 -2.141 -12.055 2.648 1.00 0.00 C ATOM 1198 O PHE A 79 -1.049 -12.606 2.535 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.763 -11.032 4.874 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.515 -9.860 5.766 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -1.254 -9.618 6.269 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -3.529 -8.970 6.060 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.009 -8.510 7.044 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.293 -7.863 6.843 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.032 -7.631 7.329 1.00 0.00 C ATOM 0 H PHE A 79 -4.035 -9.682 3.250 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.278 -10.347 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.829 -11.259 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.255 -11.909 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.451 -10.306 6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.521 -9.145 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.017 -8.328 7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.097 -7.180 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.840 -6.759 7.936 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.229 -12.503 2.067 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.249 -13.737 1.297 1.00 0.00 C ATOM 1217 C GLU A 80 -2.412 -13.648 0.019 1.00 0.00 C ATOM 1218 O GLU A 80 -1.543 -14.504 -0.217 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.684 -14.148 0.989 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.467 -14.533 2.227 1.00 0.00 C ATOM 1221 CD GLU A 80 -4.845 -15.702 2.935 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -4.914 -16.824 2.414 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -4.266 -15.508 4.019 1.00 0.00 O ATOM 0 H GLU A 80 -4.129 -12.026 2.111 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.787 -14.509 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.192 -13.325 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.675 -14.989 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.517 -13.681 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.491 -14.779 1.948 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.624 -12.600 -0.774 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.913 -12.447 -2.041 1.00 0.00 C ATOM 1232 C ASN A 81 -0.424 -12.182 -1.831 1.00 0.00 C ATOM 1233 O ASN A 81 0.411 -12.629 -2.631 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.571 -11.405 -3.006 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.502 -9.930 -2.586 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.567 -9.478 -1.955 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.515 -9.176 -2.930 1.00 0.00 N ATOM 0 H ASN A 81 -3.279 -11.847 -0.563 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.002 -13.407 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.098 -11.502 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.620 -11.674 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.529 -8.190 -2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.290 -9.574 -3.460 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.083 -11.480 -0.758 1.00 0.00 N ATOM 1245 CA CYS A 82 1.300 -11.225 -0.460 1.00 0.00 C ATOM 1246 C CYS A 82 2.057 -12.487 -0.071 1.00 0.00 C ATOM 1247 O CYS A 82 3.155 -12.720 -0.543 1.00 0.00 O ATOM 1248 CB CYS A 82 1.442 -10.145 0.589 1.00 0.00 C ATOM 1249 SG CYS A 82 0.885 -8.518 0.024 1.00 0.00 S ATOM 0 H CYS A 82 -0.746 -11.085 -0.091 1.00 0.00 H new ATOM 0 HA CYS A 82 1.760 -10.863 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.871 -10.430 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.487 -10.078 0.892 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.365 -8.353 0.341 1.00 0.00 H new ATOM 1255 N ARG A 83 1.443 -13.333 0.734 1.00 0.00 N ATOM 1256 CA ARG A 83 2.105 -14.549 1.184 1.00 0.00 C ATOM 1257 C ARG A 83 2.143 -15.587 0.049 1.00 0.00 C ATOM 1258 O ARG A 83 3.004 -16.481 0.002 1.00 0.00 O ATOM 1259 CB ARG A 83 1.465 -15.090 2.470 1.00 0.00 C ATOM 1260 CG ARG A 83 1.454 -14.067 3.624 1.00 0.00 C ATOM 1261 CD ARG A 83 2.851 -13.648 4.077 1.00 0.00 C ATOM 1262 NE ARG A 83 2.795 -12.636 5.160 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.634 -12.921 6.474 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.363 -14.164 6.872 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.741 -11.957 7.378 1.00 0.00 N ATOM 0 H ARG A 83 0.495 -13.205 1.089 1.00 0.00 H new ATOM 0 HA ARG A 83 3.139 -14.315 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.441 -15.397 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.005 -15.981 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.901 -13.182 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.918 -14.493 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.399 -14.524 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.403 -13.243 3.229 1.00 0.00 H new ATOM 0 HE ARG A 83 2.884 -11.655 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.275 -14.912 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.244 -14.367 7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.944 -11.002 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.620 -12.171 8.368 1.00 0.00 H new ATOM 1279 N ASP A 84 1.218 -15.436 -0.867 1.00 0.00 N ATOM 1280 CA ASP A 84 1.144 -16.265 -2.057 1.00 0.00 C ATOM 1281 C ASP A 84 2.380 -15.998 -2.914 1.00 0.00 C ATOM 1282 O ASP A 84 3.178 -16.906 -3.238 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.073 -15.877 -2.879 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.374 -16.857 -3.971 1.00 0.00 C ATOM 1285 OD1 ASP A 84 0.236 -16.764 -5.053 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -1.234 -17.743 -3.758 1.00 0.00 O ATOM 0 H ASP A 84 0.485 -14.728 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 84 1.082 -17.312 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.939 -15.796 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.089 -14.892 -3.316 1.00 0.00 H new ATOM 1291 N THR A 85 2.586 -14.737 -3.230 1.00 0.00 N ATOM 1292 CA THR A 85 3.685 -14.396 -4.063 1.00 0.00 C ATOM 1293 C THR A 85 4.995 -14.534 -3.296 1.00 0.00 C ATOM 1294 O THR A 85 6.041 -14.753 -3.890 1.00 0.00 O ATOM 1295 CB THR A 85 3.536 -13.006 -4.749 1.00 0.00 C ATOM 1296 OG1 THR A 85 4.538 -12.865 -5.757 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.680 -11.850 -3.760 1.00 0.00 C ATOM 0 H THR A 85 2.010 -13.954 -2.922 1.00 0.00 H new ATOM 0 HA THR A 85 3.698 -15.109 -4.887 1.00 0.00 H new ATOM 0 HB THR A 85 2.535 -12.964 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.287 -12.342 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.568 -10.903 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.911 -11.930 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.664 -11.891 -3.293 1.00 0.00 H new ATOM 1305 N ALA A 86 4.901 -14.452 -1.967 1.00 0.00 N ATOM 1306 CA ALA A 86 6.016 -14.668 -1.076 1.00 0.00 C ATOM 1307 C ALA A 86 6.666 -15.972 -1.386 1.00 0.00 C ATOM 1308 O ALA A 86 7.841 -16.014 -1.743 1.00 0.00 O ATOM 1309 CB ALA A 86 5.546 -14.686 0.354 1.00 0.00 C ATOM 0 H ALA A 86 4.030 -14.230 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 86 6.730 -13.856 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.397 -14.850 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.078 -13.732 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.822 -15.490 0.489 1.00 0.00 H new ATOM 1315 N LYS A 87 5.881 -17.029 -1.335 1.00 0.00 N ATOM 1316 CA LYS A 87 6.401 -18.368 -1.557 1.00 0.00 C ATOM 1317 C LYS A 87 6.889 -18.532 -2.998 1.00 0.00 C ATOM 1318 O LYS A 87 7.876 -19.245 -3.248 1.00 0.00 O ATOM 1319 CB LYS A 87 5.386 -19.453 -1.142 1.00 0.00 C ATOM 1320 CG LYS A 87 4.083 -19.429 -1.918 1.00 0.00 C ATOM 1321 CD LYS A 87 3.087 -20.425 -1.386 1.00 0.00 C ATOM 1322 CE LYS A 87 1.804 -20.432 -2.208 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.792 -21.352 -1.649 1.00 0.00 N ATOM 0 H LYS A 87 4.880 -16.989 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 87 7.268 -18.506 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.849 -20.432 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.164 -19.337 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.653 -18.428 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.283 -19.643 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.529 -21.421 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.853 -20.187 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.394 -19.423 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.032 -20.724 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.064 -21.326 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.173 -22.320 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.554 -21.059 -0.680 1.00 0.00 H new ATOM 1337 N ARG A 88 6.251 -17.821 -3.942 1.00 0.00 N ATOM 1338 CA ARG A 88 6.719 -17.860 -5.336 1.00 0.00 C ATOM 1339 C ARG A 88 8.071 -17.172 -5.495 1.00 0.00 C ATOM 1340 O ARG A 88 8.922 -17.621 -6.243 1.00 0.00 O ATOM 1341 CB ARG A 88 5.696 -17.284 -6.355 1.00 0.00 C ATOM 1342 CG ARG A 88 4.645 -18.291 -6.810 1.00 0.00 C ATOM 1343 CD ARG A 88 3.692 -18.676 -5.707 1.00 0.00 C ATOM 1344 NE ARG A 88 3.048 -19.967 -5.966 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.740 -20.251 -5.905 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.837 -19.299 -5.684 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.340 -21.515 -6.058 1.00 0.00 N ATOM 0 H ARG A 88 5.436 -17.231 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 88 6.831 -18.919 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.194 -16.427 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.235 -16.916 -7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.080 -17.870 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.143 -19.186 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.232 -18.723 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.929 -17.905 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 88 3.666 -20.737 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.136 -18.332 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.154 -19.536 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.027 -22.251 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.347 -21.745 -6.014 1.00 0.00 H new ATOM 1361 N ASN A 89 8.282 -16.121 -4.757 1.00 0.00 N ATOM 1362 CA ASN A 89 9.506 -15.356 -4.877 1.00 0.00 C ATOM 1363 C ASN A 89 10.616 -15.973 -4.017 1.00 0.00 C ATOM 1364 O ASN A 89 11.802 -15.719 -4.237 1.00 0.00 O ATOM 1365 CB ASN A 89 9.255 -13.909 -4.491 1.00 0.00 C ATOM 1366 CG ASN A 89 10.144 -12.912 -5.232 1.00 0.00 C ATOM 1367 OD1 ASN A 89 11.282 -13.205 -5.584 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.600 -11.735 -5.501 1.00 0.00 N ATOM 0 H ASN A 89 7.625 -15.767 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 89 9.837 -15.382 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.211 -13.666 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.413 -13.796 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.131 -11.034 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.650 -11.529 -5.191 1.00 0.00 H new ATOM 1375 N GLN A 90 10.237 -16.803 -3.032 1.00 0.00 N ATOM 1376 CA GLN A 90 11.244 -17.513 -2.225 1.00 0.00 C ATOM 1377 C GLN A 90 11.868 -18.596 -3.057 1.00 0.00 C ATOM 1378 O GLN A 90 13.066 -18.790 -3.017 1.00 0.00 O ATOM 1379 CB GLN A 90 10.697 -18.142 -0.926 1.00 0.00 C ATOM 1380 CG GLN A 90 9.999 -17.203 0.043 1.00 0.00 C ATOM 1381 CD GLN A 90 10.745 -15.905 0.265 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.603 -15.780 1.149 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.381 -14.919 -0.508 1.00 0.00 N ATOM 0 H GLN A 90 9.268 -16.996 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 90 11.970 -16.759 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.997 -18.932 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.526 -18.617 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.001 -16.980 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.872 -17.709 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.670 -15.068 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.808 -13.999 -0.397 1.00 0.00 H new ATOM 1392 N GLN A 91 11.051 -19.305 -3.831 1.00 0.00 N ATOM 1393 CA GLN A 91 11.590 -20.329 -4.716 1.00 0.00 C ATOM 1394 C GLN A 91 12.312 -19.681 -5.896 1.00 0.00 C ATOM 1395 O GLN A 91 13.162 -20.292 -6.534 1.00 0.00 O ATOM 1396 CB GLN A 91 10.507 -21.308 -5.172 1.00 0.00 C ATOM 1397 CG GLN A 91 9.386 -20.668 -5.948 1.00 0.00 C ATOM 1398 CD GLN A 91 8.305 -21.644 -6.292 1.00 0.00 C ATOM 1399 OE1 GLN A 91 8.340 -22.276 -7.336 1.00 0.00 O ATOM 1400 NE2 GLN A 91 7.351 -21.783 -5.425 1.00 0.00 N ATOM 0 H GLN A 91 10.038 -19.193 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 91 12.320 -20.916 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.967 -22.080 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.090 -21.806 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.963 -19.851 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.784 -20.232 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.360 -21.235 -4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.592 -22.440 -5.603 1.00 0.00 H new ATOM 1409 N ALA A 92 11.957 -18.442 -6.179 1.00 0.00 N ATOM 1410 CA ALA A 92 12.657 -17.664 -7.173 1.00 0.00 C ATOM 1411 C ALA A 92 14.025 -17.255 -6.600 1.00 0.00 C ATOM 1412 O ALA A 92 15.017 -17.118 -7.323 1.00 0.00 O ATOM 1413 CB ALA A 92 11.833 -16.455 -7.544 1.00 0.00 C ATOM 0 H ALA A 92 11.183 -17.954 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 92 12.814 -18.250 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.364 -15.869 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.874 -16.779 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.666 -15.843 -6.658 1.00 0.00 H new ATOM 1419 N GLY A 93 14.035 -17.045 -5.286 1.00 0.00 N ATOM 1420 CA GLY A 93 15.239 -16.787 -4.529 1.00 0.00 C ATOM 1421 C GLY A 93 15.658 -15.336 -4.508 1.00 0.00 C ATOM 1422 O GLY A 93 16.794 -15.041 -4.182 1.00 0.00 O ATOM 0 H GLY A 93 13.189 -17.051 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.090 -17.125 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.051 -17.382 -4.946 1.00 0.00 H new ATOM 1426 N ASN A 94 14.742 -14.417 -4.816 1.00 0.00 N ATOM 1427 CA ASN A 94 15.112 -12.984 -4.855 1.00 0.00 C ATOM 1428 C ASN A 94 15.063 -12.345 -3.488 1.00 0.00 C ATOM 1429 O ASN A 94 15.490 -11.204 -3.312 1.00 0.00 O ATOM 1430 CB ASN A 94 14.236 -12.166 -5.812 1.00 0.00 C ATOM 1431 CG ASN A 94 14.258 -12.648 -7.239 1.00 0.00 C ATOM 1432 OD1 ASN A 94 15.167 -12.323 -8.008 1.00 0.00 O ATOM 1433 ND2 ASN A 94 13.209 -13.331 -7.641 1.00 0.00 N ATOM 0 H ASN A 94 13.767 -14.619 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 94 16.137 -12.970 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.208 -12.185 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.564 -11.127 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.126 -13.611 -8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.478 -13.581 -6.975 1.00 0.00 H new ATOM 1440 N GLY A 95 14.511 -13.063 -2.532 1.00 0.00 N ATOM 1441 CA GLY A 95 14.435 -12.566 -1.165 1.00 0.00 C ATOM 1442 C GLY A 95 13.413 -11.465 -0.998 1.00 0.00 C ATOM 1443 O GLY A 95 13.527 -10.630 -0.110 1.00 0.00 O ATOM 0 H GLY A 95 14.108 -13.990 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.187 -13.391 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.414 -12.195 -0.863 1.00 0.00 H new ATOM 1447 N TRP A 96 12.430 -11.454 -1.844 1.00 0.00 N ATOM 1448 CA TRP A 96 11.382 -10.486 -1.764 1.00 0.00 C ATOM 1449 C TRP A 96 10.124 -11.193 -1.520 1.00 0.00 C ATOM 1450 O TRP A 96 10.118 -12.419 -1.441 1.00 0.00 O ATOM 1451 CB TRP A 96 11.231 -9.683 -3.054 1.00 0.00 C ATOM 1452 CG TRP A 96 12.423 -8.897 -3.417 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.178 -8.144 -2.589 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.972 -8.741 -4.715 1.00 0.00 C ATOM 1455 NE1 TRP A 96 14.184 -7.569 -3.278 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.086 -7.914 -4.590 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.635 -9.241 -5.967 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.869 -7.565 -5.667 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.408 -8.890 -7.049 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.519 -8.062 -6.895 1.00 0.00 C ATOM 0 H TRP A 96 12.332 -12.118 -2.612 1.00 0.00 H new ATOM 0 HA TRP A 96 11.628 -9.792 -0.961 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.998 -10.367 -3.870 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.381 -9.008 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.002 -8.020 -1.531 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.906 -6.969 -2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.782 -9.893 -6.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.729 -6.922 -5.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.151 -9.260 -8.030 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.115 -7.808 -7.759 1.00 0.00 H new ATOM 1471 N ASP A 97 9.089 -10.434 -1.325 1.00 0.00 N ATOM 1472 CA ASP A 97 7.705 -10.912 -1.254 1.00 0.00 C ATOM 1473 C ASP A 97 7.317 -11.531 0.076 1.00 0.00 C ATOM 1474 O ASP A 97 6.222 -11.313 0.552 1.00 0.00 O ATOM 1475 CB ASP A 97 7.304 -11.801 -2.446 1.00 0.00 C ATOM 1476 CG ASP A 97 7.260 -11.069 -3.772 1.00 0.00 C ATOM 1477 OD1 ASP A 97 7.721 -9.912 -3.852 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.834 -11.682 -4.802 1.00 0.00 O ATOM 0 H ASP A 97 9.168 -9.424 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 97 7.113 -10.000 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.009 -12.629 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.324 -12.235 -2.249 1.00 0.00 H new ATOM 1483 N PHE A 98 8.187 -12.307 0.680 1.00 0.00 N ATOM 1484 CA PHE A 98 7.847 -12.872 1.962 1.00 0.00 C ATOM 1485 C PHE A 98 8.015 -11.878 3.074 1.00 0.00 C ATOM 1486 O PHE A 98 7.036 -11.442 3.661 1.00 0.00 O ATOM 1487 CB PHE A 98 8.568 -14.196 2.261 1.00 0.00 C ATOM 1488 CG PHE A 98 8.179 -14.789 3.586 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.836 -14.951 3.912 1.00 0.00 C ATOM 1490 CD2 PHE A 98 9.141 -15.145 4.517 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.463 -15.459 5.130 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.770 -15.655 5.745 1.00 0.00 C ATOM 1493 CZ PHE A 98 7.428 -15.808 6.054 1.00 0.00 C ATOM 0 H PHE A 98 9.108 -12.555 0.318 1.00 0.00 H new ATOM 0 HA PHE A 98 6.788 -13.122 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.346 -14.912 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.645 -14.029 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.077 -14.673 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.188 -15.023 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.417 -15.586 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.525 -15.935 6.464 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.137 -16.200 7.017 1.00 0.00 H new ATOM 1503 N ASP A 99 9.234 -11.501 3.380 1.00 0.00 N ATOM 1504 CA ASP A 99 9.458 -10.573 4.474 1.00 0.00 C ATOM 1505 C ASP A 99 9.351 -9.160 4.030 1.00 0.00 C ATOM 1506 O ASP A 99 8.730 -8.358 4.698 1.00 0.00 O ATOM 1507 CB ASP A 99 10.825 -10.789 5.111 1.00 0.00 C ATOM 1508 CG ASP A 99 10.992 -12.154 5.683 1.00 0.00 C ATOM 1509 OD1 ASP A 99 10.538 -12.389 6.815 1.00 0.00 O ATOM 1510 OD2 ASP A 99 11.580 -13.020 4.999 1.00 0.00 O ATOM 0 H ASP A 99 10.077 -11.814 2.898 1.00 0.00 H new ATOM 0 HA ASP A 99 8.679 -10.771 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.599 -10.617 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.973 -10.050 5.899 1.00 0.00 H new ATOM 1515 N MET A 100 9.941 -8.863 2.884 1.00 0.00 N ATOM 1516 CA MET A 100 10.029 -7.474 2.379 1.00 0.00 C ATOM 1517 C MET A 100 8.661 -6.925 1.946 1.00 0.00 C ATOM 1518 O MET A 100 8.460 -5.727 1.880 1.00 0.00 O ATOM 1519 CB MET A 100 11.024 -7.362 1.215 1.00 0.00 C ATOM 1520 CG MET A 100 12.430 -7.874 1.515 1.00 0.00 C ATOM 1521 SD MET A 100 13.131 -7.132 3.003 1.00 0.00 S ATOM 1522 CE MET A 100 14.785 -7.814 3.005 1.00 0.00 C ATOM 0 H MET A 100 10.372 -9.557 2.273 1.00 0.00 H new ATOM 0 HA MET A 100 10.389 -6.869 3.211 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.627 -7.914 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.091 -6.317 0.914 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.402 -8.957 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 100 13.080 -7.662 0.666 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.332 -7.440 3.871 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.730 -8.902 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 100 15.302 -7.517 2.093 1.00 0.00 H new ATOM 1532 N LEU A 101 7.764 -7.807 1.623 1.00 0.00 N ATOM 1533 CA LEU A 101 6.412 -7.463 1.254 1.00 0.00 C ATOM 1534 C LEU A 101 5.505 -7.793 2.425 1.00 0.00 C ATOM 1535 O LEU A 101 5.717 -8.807 3.084 1.00 0.00 O ATOM 1536 CB LEU A 101 6.017 -8.303 0.059 1.00 0.00 C ATOM 1537 CG LEU A 101 4.543 -8.386 -0.333 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.998 -7.058 -0.788 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.378 -9.422 -1.409 1.00 0.00 C ATOM 0 H LEU A 101 7.950 -8.810 1.606 1.00 0.00 H new ATOM 0 HA LEU A 101 6.330 -6.405 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.566 -7.926 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.367 -9.319 0.241 1.00 0.00 H new ATOM 0 HG LEU A 101 3.971 -8.672 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.947 -7.168 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.093 -6.330 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.559 -6.713 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.328 -9.487 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.973 -9.142 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.713 -10.390 -1.037 1.00 0.00 H new ATOM 1551 N THR A 102 4.590 -6.886 2.732 1.00 0.00 N ATOM 1552 CA THR A 102 3.536 -7.053 3.736 1.00 0.00 C ATOM 1553 C THR A 102 4.094 -7.062 5.167 1.00 0.00 C ATOM 1554 O THR A 102 5.321 -6.915 5.397 1.00 0.00 O ATOM 1555 CB THR A 102 2.502 -8.240 3.444 1.00 0.00 C ATOM 1556 OG1 THR A 102 1.268 -7.988 4.134 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.996 -9.610 3.880 1.00 0.00 C ATOM 0 H THR A 102 4.555 -5.976 2.274 1.00 0.00 H new ATOM 0 HA THR A 102 2.919 -6.159 3.646 1.00 0.00 H new ATOM 0 HB THR A 102 2.375 -8.258 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.864 -7.164 3.791 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.240 -10.360 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.919 -9.849 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.184 -9.604 4.954 1.00 0.00 H new ATOM 1565 N GLY A 103 3.211 -7.156 6.122 1.00 0.00 N ATOM 1566 CA GLY A 103 3.601 -7.154 7.504 1.00 0.00 C ATOM 1567 C GLY A 103 4.088 -8.511 7.932 1.00 0.00 C ATOM 1568 O GLY A 103 3.374 -9.252 8.608 1.00 0.00 O ATOM 0 H GLY A 103 2.206 -7.236 5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.387 -6.416 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.755 -6.856 8.123 1.00 0.00 H new ATOM 1572 N SER A 104 5.248 -8.877 7.470 1.00 0.00 N ATOM 1573 CA SER A 104 5.839 -10.124 7.854 1.00 0.00 C ATOM 1574 C SER A 104 7.113 -9.883 8.695 1.00 0.00 C ATOM 1575 O SER A 104 7.076 -9.899 9.938 1.00 0.00 O ATOM 1576 CB SER A 104 6.182 -10.929 6.602 1.00 0.00 C ATOM 1577 OG SER A 104 5.131 -10.876 5.659 1.00 0.00 O ATOM 0 H SER A 104 5.807 -8.323 6.821 1.00 0.00 H new ATOM 0 HA SER A 104 5.127 -10.683 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.096 -10.539 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.378 -11.966 6.875 1.00 0.00 H new ATOM 0 HG SER A 104 5.487 -11.046 4.762 1.00 0.00 H new ATOM 1583 N GLY A 105 8.196 -9.577 8.005 1.00 0.00 N ATOM 1584 CA GLY A 105 9.487 -9.472 8.637 1.00 0.00 C ATOM 1585 C GLY A 105 9.684 -8.195 9.433 1.00 0.00 C ATOM 1586 O GLY A 105 9.183 -7.126 9.064 1.00 0.00 O ATOM 0 H GLY A 105 8.201 -9.397 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.626 -10.326 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.261 -9.534 7.872 1.00 0.00 H new ATOM 1590 N ASN A 106 10.419 -8.310 10.521 1.00 0.00 N ATOM 1591 CA ASN A 106 10.777 -7.186 11.392 1.00 0.00 C ATOM 1592 C ASN A 106 11.570 -6.160 10.603 1.00 0.00 C ATOM 1593 O ASN A 106 11.282 -4.966 10.638 1.00 0.00 O ATOM 1594 CB ASN A 106 11.637 -7.695 12.559 1.00 0.00 C ATOM 1595 CG ASN A 106 12.123 -6.589 13.502 1.00 0.00 C ATOM 1596 OD1 ASN A 106 13.179 -5.999 13.283 1.00 0.00 O ATOM 1597 ND2 ASN A 106 11.393 -6.322 14.547 1.00 0.00 N ATOM 0 H ASN A 106 10.797 -9.202 10.839 1.00 0.00 H new ATOM 0 HA ASN A 106 9.866 -6.727 11.777 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.060 -8.420 13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 106 12.502 -8.222 12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.693 -5.607 15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.521 -6.828 14.703 1.00 0.00 H new ATOM 1604 N TYR A 107 12.515 -6.663 9.834 1.00 0.00 N ATOM 1605 CA TYR A 107 13.425 -5.867 9.017 1.00 0.00 C ATOM 1606 C TYR A 107 12.795 -5.410 7.698 1.00 0.00 C ATOM 1607 O TYR A 107 13.478 -4.867 6.844 1.00 0.00 O ATOM 1608 CB TYR A 107 14.739 -6.650 8.775 1.00 0.00 C ATOM 1609 CG TYR A 107 14.565 -8.059 8.241 1.00 0.00 C ATOM 1610 CD1 TYR A 107 14.257 -9.101 9.108 1.00 0.00 C ATOM 1611 CD2 TYR A 107 14.703 -8.350 6.882 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.094 -10.383 8.657 1.00 0.00 C ATOM 1613 CE2 TYR A 107 14.544 -9.650 6.420 1.00 0.00 C ATOM 1614 CZ TYR A 107 14.232 -10.658 7.320 1.00 0.00 C ATOM 1615 OH TYR A 107 14.068 -11.944 6.878 1.00 0.00 O ATOM 0 H TYR A 107 12.680 -7.666 9.754 1.00 0.00 H new ATOM 0 HA TYR A 107 13.651 -4.956 9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.354 -6.087 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.291 -6.700 9.714 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.144 -8.894 10.162 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.935 -7.558 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.857 -11.176 9.351 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.662 -9.874 5.370 1.00 0.00 H new ATOM 0 HH TYR A 107 14.197 -11.975 5.907 1.00 0.00 H new ATOM 1625 N SER A 108 11.504 -5.596 7.552 1.00 0.00 N ATOM 1626 CA SER A 108 10.823 -5.168 6.359 1.00 0.00 C ATOM 1627 C SER A 108 10.559 -3.672 6.482 1.00 0.00 C ATOM 1628 O SER A 108 11.295 -2.841 5.916 1.00 0.00 O ATOM 1629 CB SER A 108 9.514 -5.937 6.219 1.00 0.00 C ATOM 1630 OG SER A 108 8.840 -5.648 5.018 1.00 0.00 O ATOM 0 H SER A 108 10.906 -6.042 8.247 1.00 0.00 H new ATOM 0 HA SER A 108 11.428 -5.363 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.719 -7.006 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.865 -5.698 7.062 1.00 0.00 H new ATOM 0 HG SER A 108 8.568 -6.485 4.586 1.00 0.00 H new ATOM 1636 N SER A 109 9.594 -3.339 7.346 1.00 0.00 N ATOM 1637 CA SER A 109 9.162 -1.964 7.650 1.00 0.00 C ATOM 1638 C SER A 109 9.051 -1.081 6.383 1.00 0.00 C ATOM 1639 O SER A 109 8.810 -1.583 5.283 1.00 0.00 O ATOM 1640 CB SER A 109 10.116 -1.362 8.704 1.00 0.00 C ATOM 1641 OG SER A 109 11.481 -1.428 8.281 1.00 0.00 O ATOM 0 H SER A 109 9.073 -4.040 7.872 1.00 0.00 H new ATOM 0 HA SER A 109 8.153 -1.996 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.843 -0.324 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.001 -1.897 9.647 1.00 0.00 H new ATOM 0 HG SER A 109 12.057 -1.037 8.971 1.00 0.00 H new ATOM 1647 N THR A 110 9.186 0.213 6.533 1.00 0.00 N ATOM 1648 CA THR A 110 9.207 1.074 5.391 1.00 0.00 C ATOM 1649 C THR A 110 10.593 1.014 4.726 1.00 0.00 C ATOM 1650 O THR A 110 10.751 1.367 3.575 1.00 0.00 O ATOM 1651 CB THR A 110 8.845 2.541 5.755 1.00 0.00 C ATOM 1652 OG1 THR A 110 8.767 3.336 4.573 1.00 0.00 O ATOM 1653 CG2 THR A 110 9.882 3.142 6.678 1.00 0.00 C ATOM 0 H THR A 110 9.282 0.686 7.432 1.00 0.00 H new ATOM 0 HA THR A 110 8.447 0.722 4.693 1.00 0.00 H new ATOM 0 HB THR A 110 7.880 2.529 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.338 4.126 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.605 4.169 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.935 2.557 7.596 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.855 3.134 6.187 1.00 0.00 H new ATOM 1661 N ASP A 111 11.575 0.491 5.450 1.00 0.00 N ATOM 1662 CA ASP A 111 12.975 0.469 4.981 1.00 0.00 C ATOM 1663 C ASP A 111 13.143 -0.299 3.666 1.00 0.00 C ATOM 1664 O ASP A 111 13.753 0.190 2.721 1.00 0.00 O ATOM 1665 CB ASP A 111 13.885 -0.144 6.053 1.00 0.00 C ATOM 1666 CG ASP A 111 15.352 -0.208 5.649 1.00 0.00 C ATOM 1667 OD1 ASP A 111 16.085 0.757 5.903 1.00 0.00 O ATOM 1668 OD2 ASP A 111 15.800 -1.237 5.108 1.00 0.00 O ATOM 0 H ASP A 111 11.437 0.072 6.370 1.00 0.00 H new ATOM 0 HA ASP A 111 13.262 1.504 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.795 0.439 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.536 -1.151 6.280 1.00 0.00 H new ATOM 1673 N ALA A 112 12.505 -1.438 3.566 1.00 0.00 N ATOM 1674 CA ALA A 112 12.745 -2.322 2.457 1.00 0.00 C ATOM 1675 C ALA A 112 12.125 -1.752 1.208 1.00 0.00 C ATOM 1676 O ALA A 112 12.683 -1.812 0.108 1.00 0.00 O ATOM 1677 CB ALA A 112 12.215 -3.719 2.766 1.00 0.00 C ATOM 0 H ALA A 112 11.816 -1.773 4.239 1.00 0.00 H new ATOM 0 HA ALA A 112 13.818 -2.412 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.404 -4.376 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.719 -4.112 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.142 -3.668 2.953 1.00 0.00 H new ATOM 1683 N GLN A 113 11.023 -1.113 1.413 1.00 0.00 N ATOM 1684 CA GLN A 113 10.265 -0.567 0.354 1.00 0.00 C ATOM 1685 C GLN A 113 10.693 0.823 -0.080 1.00 0.00 C ATOM 1686 O GLN A 113 10.584 1.159 -1.250 1.00 0.00 O ATOM 1687 CB GLN A 113 8.774 -0.662 0.652 1.00 0.00 C ATOM 1688 CG GLN A 113 8.317 -0.240 2.054 1.00 0.00 C ATOM 1689 CD GLN A 113 7.834 1.204 2.175 1.00 0.00 C ATOM 1690 OE1 GLN A 113 6.998 1.491 2.984 1.00 0.00 O ATOM 1691 NE2 GLN A 113 8.408 2.111 1.477 1.00 0.00 N ATOM 0 H GLN A 113 10.623 -0.956 2.338 1.00 0.00 H new ATOM 0 HA GLN A 113 10.477 -1.185 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.243 -0.049 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.461 -1.693 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.512 -0.903 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.144 -0.389 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.118 1.854 0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.155 3.091 1.606 1.00 0.00 H new ATOM 1700 N MET A 114 11.186 1.638 0.848 1.00 0.00 N ATOM 1701 CA MET A 114 11.505 3.021 0.513 1.00 0.00 C ATOM 1702 C MET A 114 12.834 3.089 -0.144 1.00 0.00 C ATOM 1703 O MET A 114 13.094 3.988 -0.913 1.00 0.00 O ATOM 1704 CB MET A 114 11.401 3.988 1.729 1.00 0.00 C ATOM 1705 CG MET A 114 12.519 3.890 2.768 1.00 0.00 C ATOM 1706 SD MET A 114 12.274 5.046 4.138 1.00 0.00 S ATOM 1707 CE MET A 114 13.743 4.738 5.118 1.00 0.00 C ATOM 0 H MET A 114 11.370 1.373 1.816 1.00 0.00 H new ATOM 0 HA MET A 114 10.749 3.370 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.372 5.010 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 114 10.450 3.807 2.231 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.565 2.872 3.156 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.477 4.093 2.290 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.760 5.416 5.971 1.00 0.00 H new ATOM 0 HE2 MET A 114 13.734 3.708 5.474 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.630 4.902 4.506 1.00 0.00 H new ATOM 1717 N GLN A 115 13.671 2.113 0.143 1.00 0.00 N ATOM 1718 CA GLN A 115 14.927 2.004 -0.551 1.00 0.00 C ATOM 1719 C GLN A 115 14.677 1.628 -2.002 1.00 0.00 C ATOM 1720 O GLN A 115 15.467 1.970 -2.871 1.00 0.00 O ATOM 1721 CB GLN A 115 15.926 1.099 0.180 1.00 0.00 C ATOM 1722 CG GLN A 115 16.738 1.842 1.264 1.00 0.00 C ATOM 1723 CD GLN A 115 15.911 2.739 2.164 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.727 3.921 1.885 1.00 0.00 O ATOM 1725 NE2 GLN A 115 15.418 2.210 3.227 1.00 0.00 N ATOM 0 H GLN A 115 13.502 1.393 0.846 1.00 0.00 H new ATOM 0 HA GLN A 115 15.419 2.976 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.387 0.272 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 115 16.613 0.666 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.255 1.107 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.505 2.445 0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.588 1.225 3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.857 2.775 3.865 1.00 0.00 H new ATOM 1734 N TYR A 116 13.543 0.943 -2.247 1.00 0.00 N ATOM 1735 CA TYR A 116 12.997 0.734 -3.582 1.00 0.00 C ATOM 1736 C TYR A 116 13.828 -0.144 -4.528 1.00 0.00 C ATOM 1737 O TYR A 116 14.890 0.240 -5.019 1.00 0.00 O ATOM 1738 CB TYR A 116 12.611 2.105 -4.229 1.00 0.00 C ATOM 1739 CG TYR A 116 12.364 2.084 -5.726 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.206 1.558 -6.256 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.301 2.620 -6.602 1.00 0.00 C ATOM 1742 CE1 TYR A 116 10.988 1.548 -7.627 1.00 0.00 C ATOM 1743 CE2 TYR A 116 13.095 2.616 -7.957 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.938 2.089 -8.470 1.00 0.00 C ATOM 1745 OH TYR A 116 11.737 2.090 -9.842 1.00 0.00 O ATOM 0 H TYR A 116 12.982 0.519 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 116 12.100 0.134 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.712 2.477 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 116 13.407 2.820 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 116 10.457 1.147 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.210 3.048 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 116 10.082 1.120 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 116 13.843 3.027 -8.619 1.00 0.00 H new ATOM 0 HH TYR A 116 12.504 2.510 -10.285 1.00 0.00 H new ATOM 1755 N ASP A 117 13.330 -1.326 -4.756 1.00 0.00 N ATOM 1756 CA ASP A 117 13.828 -2.171 -5.800 1.00 0.00 C ATOM 1757 C ASP A 117 12.686 -2.346 -6.761 1.00 0.00 C ATOM 1758 O ASP A 117 11.571 -2.642 -6.315 1.00 0.00 O ATOM 1759 CB ASP A 117 14.243 -3.540 -5.289 1.00 0.00 C ATOM 1760 CG ASP A 117 14.801 -4.392 -6.408 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.014 -4.949 -7.202 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.045 -4.508 -6.513 1.00 0.00 O ATOM 0 H ASP A 117 12.563 -1.731 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 117 14.711 -1.718 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.992 -3.427 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.385 -4.040 -4.840 1.00 0.00 H new ATOM 1767 N PRO A 118 12.904 -2.135 -8.067 1.00 0.00 N ATOM 1768 CA PRO A 118 11.850 -2.264 -9.099 1.00 0.00 C ATOM 1769 C PRO A 118 11.047 -3.583 -9.062 1.00 0.00 C ATOM 1770 O PRO A 118 9.867 -3.595 -9.435 1.00 0.00 O ATOM 1771 CB PRO A 118 12.630 -2.181 -10.403 1.00 0.00 C ATOM 1772 CG PRO A 118 13.806 -1.342 -10.080 1.00 0.00 C ATOM 1773 CD PRO A 118 14.195 -1.711 -8.673 1.00 0.00 C ATOM 0 HA PRO A 118 11.090 -1.496 -8.952 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.931 -3.170 -10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.030 -1.735 -11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.624 -1.531 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 118 13.563 -0.282 -10.154 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.932 -2.514 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.632 -0.866 -8.141 1.00 0.00 H new ATOM 1781 N GLY A 119 11.633 -4.654 -8.538 1.00 0.00 N ATOM 1782 CA GLY A 119 10.944 -5.932 -8.543 1.00 0.00 C ATOM 1783 C GLY A 119 10.031 -5.995 -7.346 1.00 0.00 C ATOM 1784 O GLY A 119 8.838 -6.301 -7.456 1.00 0.00 O ATOM 0 H GLY A 119 12.561 -4.662 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.370 -6.048 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.664 -6.749 -8.512 1.00 0.00 H new ATOM 1788 N LEU A 120 10.600 -5.706 -6.192 1.00 0.00 N ATOM 1789 CA LEU A 120 9.844 -5.602 -4.940 1.00 0.00 C ATOM 1790 C LEU A 120 8.723 -4.561 -5.063 1.00 0.00 C ATOM 1791 O LEU A 120 7.589 -4.850 -4.721 1.00 0.00 O ATOM 1792 CB LEU A 120 10.793 -5.233 -3.796 1.00 0.00 C ATOM 1793 CG LEU A 120 10.169 -5.030 -2.405 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.540 -6.322 -1.888 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.226 -4.489 -1.439 1.00 0.00 C ATOM 0 H LEU A 120 11.600 -5.535 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 120 9.384 -6.567 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.548 -6.015 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.313 -4.315 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 120 9.366 -4.297 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.107 -6.147 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.759 -6.647 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.305 -7.096 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.780 -4.346 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.049 -5.200 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.602 -3.535 -1.808 1.00 0.00 H new ATOM 1807 N PHE A 121 9.052 -3.369 -5.577 1.00 0.00 N ATOM 1808 CA PHE A 121 8.064 -2.296 -5.760 1.00 0.00 C ATOM 1809 C PHE A 121 6.891 -2.734 -6.610 1.00 0.00 C ATOM 1810 O PHE A 121 5.726 -2.491 -6.260 1.00 0.00 O ATOM 1811 CB PHE A 121 8.691 -1.032 -6.349 1.00 0.00 C ATOM 1812 CG PHE A 121 7.669 0.019 -6.723 1.00 0.00 C ATOM 1813 CD1 PHE A 121 6.994 0.733 -5.747 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.356 0.252 -8.058 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.032 1.669 -6.094 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.389 1.177 -8.411 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.727 1.889 -7.426 1.00 0.00 C ATOM 0 H PHE A 121 9.996 -3.122 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 121 7.692 -2.062 -4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.390 -0.610 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.269 -1.299 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.219 0.559 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.875 -0.297 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.520 2.227 -5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.152 1.343 -9.452 1.00 0.00 H new ATOM 0 HZ PHE A 121 4.974 2.615 -7.696 1.00 0.00 H new ATOM 1827 N ALA A 122 7.186 -3.390 -7.703 1.00 0.00 N ATOM 1828 CA ALA A 122 6.148 -3.842 -8.591 1.00 0.00 C ATOM 1829 C ALA A 122 5.246 -4.829 -7.888 1.00 0.00 C ATOM 1830 O ALA A 122 4.027 -4.800 -8.077 1.00 0.00 O ATOM 1831 CB ALA A 122 6.724 -4.458 -9.844 1.00 0.00 C ATOM 0 H ALA A 122 8.134 -3.622 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 122 5.560 -2.973 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.913 -4.789 -10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.329 -3.718 -10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.346 -5.312 -9.577 1.00 0.00 H new ATOM 1837 N GLN A 123 5.827 -5.696 -7.064 1.00 0.00 N ATOM 1838 CA GLN A 123 5.043 -6.651 -6.361 1.00 0.00 C ATOM 1839 C GLN A 123 4.203 -5.991 -5.278 1.00 0.00 C ATOM 1840 O GLN A 123 2.995 -6.170 -5.262 1.00 0.00 O ATOM 1841 CB GLN A 123 5.904 -7.708 -5.748 1.00 0.00 C ATOM 1842 CG GLN A 123 5.121 -8.915 -5.352 1.00 0.00 C ATOM 1843 CD GLN A 123 4.543 -9.592 -6.557 1.00 0.00 C ATOM 1844 OE1 GLN A 123 3.428 -9.309 -6.982 1.00 0.00 O ATOM 1845 NE2 GLN A 123 5.296 -10.479 -7.126 1.00 0.00 N ATOM 0 H GLN A 123 6.830 -5.741 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 123 4.376 -7.113 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.680 -7.997 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.408 -7.300 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.764 -9.610 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.320 -8.627 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.218 -10.687 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.967 -10.970 -7.958 1.00 0.00 H new ATOM 1854 N ILE A 124 4.843 -5.199 -4.400 1.00 0.00 N ATOM 1855 CA ILE A 124 4.144 -4.550 -3.281 1.00 0.00 C ATOM 1856 C ILE A 124 2.976 -3.715 -3.758 1.00 0.00 C ATOM 1857 O ILE A 124 1.898 -3.787 -3.180 1.00 0.00 O ATOM 1858 CB ILE A 124 5.077 -3.675 -2.351 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.766 -2.559 -3.114 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.110 -4.527 -1.647 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.560 -1.600 -2.245 1.00 0.00 C ATOM 0 H ILE A 124 5.841 -4.994 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 124 3.778 -5.377 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 124 4.425 -3.221 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.436 -3.000 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.014 -1.993 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.735 -3.895 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.608 -5.272 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.733 -5.029 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.018 -0.835 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.894 -1.127 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.338 -2.149 -1.715 1.00 0.00 H new ATOM 1873 N GLN A 125 3.168 -2.975 -4.843 1.00 0.00 N ATOM 1874 CA GLN A 125 2.134 -2.123 -5.355 1.00 0.00 C ATOM 1875 C GLN A 125 0.966 -2.950 -5.866 1.00 0.00 C ATOM 1876 O GLN A 125 -0.195 -2.710 -5.490 1.00 0.00 O ATOM 1877 CB GLN A 125 2.652 -1.274 -6.496 1.00 0.00 C ATOM 1878 CG GLN A 125 1.676 -0.201 -6.891 1.00 0.00 C ATOM 1879 CD GLN A 125 2.029 0.516 -8.156 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.613 -0.054 -9.063 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.683 1.756 -8.212 1.00 0.00 N ATOM 0 H GLN A 125 4.037 -2.957 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 125 1.806 -1.480 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.597 -0.815 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.858 -1.911 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.688 -0.648 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.606 0.526 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.196 2.186 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.896 2.308 -9.043 1.00 0.00 H new ATOM 1890 N ALA A 126 1.282 -3.929 -6.707 1.00 0.00 N ATOM 1891 CA ALA A 126 0.291 -4.774 -7.350 1.00 0.00 C ATOM 1892 C ALA A 126 -0.490 -5.561 -6.344 1.00 0.00 C ATOM 1893 O ALA A 126 -1.713 -5.610 -6.415 1.00 0.00 O ATOM 1894 CB ALA A 126 0.950 -5.702 -8.349 1.00 0.00 C ATOM 0 H ALA A 126 2.243 -4.158 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.404 -4.124 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.192 -6.327 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.460 -5.113 -9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.674 -6.335 -7.835 1.00 0.00 H new ATOM 1900 N ALA A 127 0.209 -6.125 -5.385 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.401 -6.953 -4.368 1.00 0.00 C ATOM 1902 C ALA A 127 -1.341 -6.127 -3.496 1.00 0.00 C ATOM 1903 O ALA A 127 -2.486 -6.544 -3.207 1.00 0.00 O ATOM 1904 CB ALA A 127 0.669 -7.628 -3.528 1.00 0.00 C ATOM 0 H ALA A 127 1.219 -6.022 -5.288 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.992 -7.728 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.196 -8.248 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.294 -8.252 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.286 -6.869 -3.047 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.881 -4.940 -3.120 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.664 -4.051 -2.318 1.00 0.00 C ATOM 1912 C ALA A 128 -2.927 -3.667 -3.037 1.00 0.00 C ATOM 1913 O ALA A 128 -3.966 -3.992 -2.602 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.879 -2.811 -1.944 1.00 0.00 C ATOM 0 H ALA A 128 0.041 -4.582 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.925 -4.576 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.502 -2.156 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.007 -3.098 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.577 -2.285 -2.849 1.00 0.00 H new ATOM 1920 N THR A 129 -2.796 -3.047 -4.164 1.00 0.00 N ATOM 1921 CA THR A 129 -3.956 -2.554 -4.917 1.00 0.00 C ATOM 1922 C THR A 129 -4.995 -3.675 -5.251 1.00 0.00 C ATOM 1923 O THR A 129 -6.245 -3.472 -5.176 1.00 0.00 O ATOM 1924 CB THR A 129 -3.458 -1.847 -6.191 1.00 0.00 C ATOM 1925 OG1 THR A 129 -2.495 -2.687 -6.889 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.804 -0.519 -5.836 1.00 0.00 C ATOM 0 H THR A 129 -1.897 -2.857 -4.606 1.00 0.00 H new ATOM 0 HA THR A 129 -4.493 -1.845 -4.286 1.00 0.00 H new ATOM 0 HB THR A 129 -4.315 -1.664 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.593 -2.495 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.456 -0.030 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.530 0.121 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.957 -0.696 -5.173 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.448 -4.865 -5.480 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.196 -6.055 -5.892 1.00 0.00 C ATOM 1936 C LYS A 130 -6.208 -6.337 -4.834 1.00 0.00 C ATOM 1937 O LYS A 130 -7.406 -6.399 -5.086 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.213 -7.236 -6.032 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.750 -8.522 -6.636 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.612 -9.533 -6.768 1.00 0.00 C ATOM 1941 CE LYS A 130 -4.049 -10.812 -7.450 1.00 0.00 C ATOM 1942 NZ LYS A 130 -5.049 -11.563 -6.660 1.00 0.00 N ATOM 0 H LYS A 130 -3.447 -5.036 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.695 -5.904 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.371 -6.904 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.820 -7.467 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.542 -8.929 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.189 -8.322 -7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.795 -9.084 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -3.222 -9.768 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.468 -10.574 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -3.178 -11.444 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.668 -12.500 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.265 -11.041 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -5.918 -11.677 -7.219 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.696 -6.472 -3.653 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.441 -6.604 -2.467 1.00 0.00 C ATOM 1958 C ALA A 131 -7.297 -5.381 -2.248 1.00 0.00 C ATOM 1959 O ALA A 131 -8.527 -5.491 -2.287 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.434 -6.759 -1.397 1.00 0.00 C ATOM 0 H ALA A 131 -4.689 -6.493 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.124 -7.453 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.938 -6.868 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.829 -7.644 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.791 -5.879 -1.372 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.652 -4.209 -2.153 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.288 -2.920 -1.783 1.00 0.00 C ATOM 1968 C TRP A 132 -8.253 -2.369 -2.839 1.00 0.00 C ATOM 1969 O TRP A 132 -8.488 -1.175 -2.930 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.290 -1.814 -1.435 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.380 -2.111 -0.307 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.871 -3.288 -0.038 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.858 -1.217 0.691 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.004 -3.235 0.944 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.965 -1.980 1.443 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.015 0.145 1.016 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.227 -1.449 2.477 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.288 0.642 2.044 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.401 -0.157 2.749 1.00 0.00 C ATOM 0 H TRP A 132 -5.652 -4.121 -2.334 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.854 -3.188 -0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.688 -1.600 -2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.847 -0.906 -1.201 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.134 -4.194 -0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.445 -4.020 1.279 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.695 0.774 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.536 -2.055 3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.401 1.680 2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.828 0.286 3.551 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.739 -3.195 -3.654 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.860 -2.830 -4.485 1.00 0.00 C ATOM 1992 C ARG A 133 -11.179 -3.592 -4.251 1.00 0.00 C ATOM 1993 O ARG A 133 -12.249 -2.985 -4.200 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.487 -2.700 -5.977 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.665 -2.629 -6.972 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.200 -4.013 -7.326 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.622 -4.020 -7.759 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.147 -4.948 -8.581 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -12.354 -5.810 -9.189 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -14.460 -5.014 -8.780 1.00 0.00 N ATOM 0 H ARG A 133 -8.396 -4.146 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.106 -1.831 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.880 -1.803 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -8.860 -3.550 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.467 -2.030 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.341 -2.122 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -10.587 -4.435 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.092 -4.665 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.234 -3.281 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -11.346 -5.772 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -12.749 -6.514 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.081 -4.357 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -14.846 -5.721 -9.405 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.101 -4.871 -4.094 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.265 -5.744 -4.316 1.00 0.00 C ATOM 2016 C LYS A 134 -13.511 -5.879 -3.473 1.00 0.00 C ATOM 2017 O LYS A 134 -13.958 -7.006 -3.255 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.181 -6.757 -5.426 1.00 0.00 C ATOM 2019 CG LYS A 134 -10.920 -7.489 -5.471 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.740 -8.263 -4.225 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.317 -8.407 -3.967 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.602 -9.045 -5.109 1.00 0.00 N ATOM 0 H LYS A 134 -10.252 -5.361 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.402 -4.678 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -12.998 -7.470 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -12.328 -6.249 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -10.910 -8.160 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -10.091 -6.793 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.226 -7.755 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.208 -9.243 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.884 -7.426 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.171 -9.006 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.590 -9.128 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.997 -9.991 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.719 -8.461 -5.962 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.071 -4.817 -2.963 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.400 -4.987 -2.358 1.00 0.00 C ATOM 2038 C LEU A 135 -16.407 -4.850 -3.512 1.00 0.00 C ATOM 2039 O LEU A 135 -16.057 -4.253 -4.529 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.734 -3.995 -1.207 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.730 -3.831 -0.072 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.928 -5.066 0.147 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -13.864 -2.621 -0.270 1.00 0.00 C ATOM 0 H LEU A 135 -13.676 -3.877 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.440 -5.961 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.894 -3.013 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.683 -4.304 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.302 -3.667 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.226 -4.904 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -14.593 -5.892 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.377 -5.308 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.161 -2.537 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.313 -2.717 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -14.489 -1.729 -0.308 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.642 -5.378 -3.406 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.566 -5.414 -4.532 1.00 0.00 C ATOM 2057 C PRO A 136 -19.143 -4.057 -4.941 1.00 0.00 C ATOM 2058 O PRO A 136 -18.604 -3.407 -5.800 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.669 -6.390 -4.096 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.197 -6.959 -2.794 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.242 -5.969 -2.220 1.00 0.00 C ATOM 0 HA PRO A 136 -18.040 -5.729 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.624 -5.878 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -19.817 -7.174 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.035 -7.127 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -18.712 -7.923 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.751 -5.223 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.497 -6.447 -1.585 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.218 -3.636 -4.311 1.00 0.00 N ATOM 2070 CA VAL A 137 -20.890 -2.375 -4.637 1.00 0.00 C ATOM 2071 C VAL A 137 -21.398 -1.808 -3.327 1.00 0.00 C ATOM 2072 O VAL A 137 -21.714 -2.590 -2.416 1.00 0.00 O ATOM 2073 CB VAL A 137 -22.123 -2.600 -5.600 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -22.814 -1.286 -5.955 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -21.735 -3.339 -6.868 1.00 0.00 C ATOM 0 H VAL A 137 -20.661 -4.154 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 137 -20.193 -1.708 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 137 -22.826 -3.223 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -23.656 -1.485 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -23.175 -0.807 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.106 -0.626 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -22.616 -3.469 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -20.984 -2.763 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -21.326 -4.316 -6.609 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.445 -0.478 -3.194 1.00 0.00 N ATOM 2086 CA LYS A 138 -21.935 0.159 -1.968 1.00 0.00 C ATOM 2087 C LYS A 138 -23.345 -0.343 -1.597 1.00 0.00 C ATOM 2088 O LYS A 138 -23.661 -0.488 -0.419 1.00 0.00 O ATOM 2089 CB LYS A 138 -21.848 1.707 -2.073 1.00 0.00 C ATOM 2090 CG LYS A 138 -22.257 2.511 -0.824 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.460 2.112 0.433 1.00 0.00 C ATOM 2092 CE LYS A 138 -19.986 2.465 0.304 1.00 0.00 C ATOM 2093 NZ LYS A 138 -19.207 2.145 1.526 1.00 0.00 N ATOM 0 H LYS A 138 -21.150 0.176 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 138 -21.284 -0.134 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -20.822 1.973 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -22.476 2.027 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -22.111 3.574 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -23.321 2.364 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -21.879 2.616 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.563 1.040 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.561 1.926 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -19.890 3.529 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.293 2.640 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -19.738 2.451 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -19.043 1.119 1.575 1.00 0.00 H new ATOM 2107 N GLY A 139 -24.165 -0.636 -2.591 1.00 0.00 N ATOM 2108 CA GLY A 139 -25.434 -1.296 -2.317 1.00 0.00 C ATOM 2109 C GLY A 139 -26.614 -0.365 -2.236 1.00 0.00 C ATOM 2110 O GLY A 139 -27.639 -0.710 -1.646 1.00 0.00 O ATOM 0 H GLY A 139 -23.984 -0.434 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -25.622 -2.034 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -25.351 -1.840 -1.376 1.00 0.00 H new ATOM 2114 N ASP A 140 -26.490 0.789 -2.831 1.00 0.00 N ATOM 2115 CA ASP A 140 -27.547 1.790 -2.833 1.00 0.00 C ATOM 2116 C ASP A 140 -27.412 2.603 -4.077 1.00 0.00 C ATOM 2117 O ASP A 140 -26.801 3.680 -4.022 1.00 0.00 O ATOM 2118 CB ASP A 140 -27.495 2.733 -1.599 1.00 0.00 C ATOM 2119 CG ASP A 140 -28.013 2.130 -0.315 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -29.242 2.145 -0.079 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -27.207 1.672 0.514 1.00 0.00 O ATOM 2122 OXT ASP A 140 -27.823 2.135 -5.151 1.00 0.00 O ATOM 0 H ASP A 140 -25.650 1.074 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 140 -28.503 1.268 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -26.463 3.049 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -28.073 3.630 -1.821 1.00 0.00 H new TER 2127 ASP A 140