USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 884 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 116 THR OG1 : rot -177:sc= -10.3! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 169:sc= -3.28 (180deg=-3.71!) USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -7.04! C(o=-14!,f=-9.6!) USER MOD Set 2.2: A 117 TYR OH : rot 71:sc= -2.59! USER MOD Set 3.1: A 53 SER OG : rot 3:sc= 0.0421 USER MOD Set 3.2: A 57 ASN :FLIP amide:sc= -4.91! C(o=-6.7!,f=-4.9!) USER MOD Set 4.1: A 5 THR OG1 : rot 105:sc= 1.08 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.816 USER MOD Set 5.1: A 21 MET CE :methyl 144:sc= -1.22 (180deg=-1.47) USER MOD Set 5.2: A 119 TYR OH : rot -92:sc= 0.2 USER MOD Set 6.1: A 11 ASN :FLIP amide:sc= -7.54! C(o=-23!,f=-18!) USER MOD Set 6.2: A 13 ASN :FLIP amide:sc= -11.5! C(o=-24!,f=-18!) USER MOD Set 6.3: A 16 LYS NZ :NH3+ -144:sc= 0.838! (180deg=0.721) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0421 (180deg=-0.267) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -2.84! (180deg=-3.04!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.309 F(o=-2.5!,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0435 (180deg=-0.228) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -7.89! (180deg=-8.38!) USER MOD Single : A 33 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-7.4!) USER MOD Single : A 35 ASN : amide:sc= -0.0706 K(o=-0.071,f=-2.4!) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -2.17! (180deg=-2.24!) USER MOD Single : A 41 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 42 GLN :FLIP amide:sc= 1.08 F(o=-2.4!,f=1.1) USER MOD Single : A 45 ASN :FLIP amide:sc= -4.79! C(o=-7.6!,f=-4.8!) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -2.11 (180deg=-4.39!) USER MOD Single : A 48 THR OG1 : rot 129:sc= 0.721 USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -1.9 (180deg=-2.65!) USER MOD Single : A 52 SER OG : rot 160:sc= -2.51! USER MOD Single : A 54 ASN :FLIP amide:sc= -0.126 F(o=-2.2!,f=-0.13) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -144:sc= 0.247 USER MOD Single : A 76 THR OG1 : rot 47:sc= 0.0233 USER MOD Single : A 79 THR OG1 : rot 170:sc= -1.23 USER MOD Single : A 81 THR OG1 : rot -43:sc= -5.29! USER MOD Single : A 83 THR OG1 : rot -58:sc= 0.865 USER MOD Single : A 84 MET CE :methyl -113:sc= -5.05! (180deg=-11.9!) USER MOD Single : A 87 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.053) USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -4.08! (180deg=-5.34!) USER MOD Single : A 92 LYS NZ :NH3+ -114:sc= -3.26! (180deg=-5.18!) USER MOD Single : A 94 LYS NZ :NH3+ -104:sc= 0.752 (180deg=-1.02!) USER MOD Single : A 98 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.62) USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.0584 (180deg=-0.2) USER MOD Single : A 109 SER OG : rot -7:sc= 0.964 USER MOD Single : A 111 ASN : amide:sc= -0.496 K(o=-0.5,f=-3!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.739 USER MOD Single : A 129 LYS NZ :NH3+ 142:sc= -5.01! (180deg=-8.54!) USER MOD Single : A 130 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0606) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 10.766 -12.084 1.553 1.00 0.00 N ATOM 14 CA PHE A 2 9.726 -12.123 2.581 1.00 0.00 C ATOM 15 C PHE A 2 10.347 -11.928 3.958 1.00 0.00 C ATOM 16 O PHE A 2 9.992 -12.615 4.916 1.00 0.00 O ATOM 17 CB PHE A 2 8.962 -13.455 2.553 1.00 0.00 C ATOM 18 CG PHE A 2 8.208 -13.717 1.278 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.831 -14.315 0.194 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.868 -13.380 1.174 1.00 0.00 C ATOM 21 CE1 PHE A 2 8.133 -14.564 -0.972 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.165 -13.629 0.011 1.00 0.00 C ATOM 23 CZ PHE A 2 6.798 -14.222 -1.063 1.00 0.00 C ATOM 0 HA PHE A 2 9.023 -11.316 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.670 -14.268 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.259 -13.473 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.873 -14.589 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.367 -12.917 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.631 -15.026 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.121 -13.360 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.250 -14.418 -1.973 1.00 0.00 H new ATOM 32 N ASP A 3 11.282 -10.989 4.040 1.00 0.00 N ATOM 33 CA ASP A 3 11.976 -10.689 5.289 1.00 0.00 C ATOM 34 C ASP A 3 13.005 -9.607 5.059 1.00 0.00 C ATOM 35 O ASP A 3 14.002 -9.522 5.777 1.00 0.00 O ATOM 36 CB ASP A 3 12.705 -11.923 5.798 1.00 0.00 C ATOM 37 CG ASP A 3 12.833 -11.950 7.308 1.00 0.00 C ATOM 38 OD1 ASP A 3 13.446 -11.018 7.870 1.00 0.00 O ATOM 39 OD2 ASP A 3 12.320 -12.904 7.931 1.00 0.00 O ATOM 0 H ASP A 3 11.580 -10.417 3.250 1.00 0.00 H new ATOM 0 HA ASP A 3 11.234 -10.363 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.174 -12.815 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.699 -11.961 5.353 1.00 0.00 H new ATOM 43 N GLY A 4 12.779 -8.794 4.047 1.00 0.00 N ATOM 44 CA GLY A 4 13.714 -7.757 3.746 1.00 0.00 C ATOM 45 C GLY A 4 13.277 -6.438 4.297 1.00 0.00 C ATOM 46 O GLY A 4 12.158 -6.306 4.791 1.00 0.00 O ATOM 0 H GLY A 4 11.965 -8.838 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.690 -8.017 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.834 -7.678 2.665 1.00 0.00 H new ATOM 50 N THR A 5 14.111 -5.432 4.133 1.00 0.00 N ATOM 51 CA THR A 5 13.754 -4.133 4.521 1.00 0.00 C ATOM 52 C THR A 5 14.592 -3.230 3.687 1.00 0.00 C ATOM 53 O THR A 5 15.726 -3.551 3.356 1.00 0.00 O ATOM 54 CB THR A 5 13.876 -3.805 6.002 1.00 0.00 C ATOM 55 OG1 THR A 5 13.343 -2.496 6.175 1.00 0.00 O ATOM 56 CG2 THR A 5 15.320 -3.862 6.481 1.00 0.00 C ATOM 0 H THR A 5 15.043 -5.517 3.728 1.00 0.00 H new ATOM 0 HA THR A 5 12.683 -4.009 4.359 1.00 0.00 H new ATOM 0 HB THR A 5 13.331 -4.540 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.455 -2.556 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.361 -3.621 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.717 -4.864 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.917 -3.141 5.923 1.00 0.00 H new ATOM 64 N TRP A 6 13.993 -2.166 3.262 1.00 0.00 N ATOM 65 CA TRP A 6 14.584 -1.273 2.367 1.00 0.00 C ATOM 66 C TRP A 6 13.887 -0.012 2.754 1.00 0.00 C ATOM 67 O TRP A 6 12.814 -0.130 3.329 1.00 0.00 O ATOM 68 CB TRP A 6 14.304 -1.796 0.951 1.00 0.00 C ATOM 69 CG TRP A 6 13.741 -3.215 0.898 1.00 0.00 C ATOM 70 CD1 TRP A 6 12.683 -3.704 1.615 1.00 0.00 C ATOM 71 CD2 TRP A 6 14.185 -4.314 0.078 1.00 0.00 C ATOM 72 NE1 TRP A 6 12.527 -5.041 1.398 1.00 0.00 N ATOM 73 CE2 TRP A 6 13.399 -5.435 0.422 1.00 0.00 C ATOM 74 CE3 TRP A 6 15.176 -4.469 -0.894 1.00 0.00 C ATOM 75 CZ2 TRP A 6 13.579 -6.683 -0.168 1.00 0.00 C ATOM 76 CZ3 TRP A 6 15.345 -5.707 -1.488 1.00 0.00 C ATOM 77 CH2 TRP A 6 14.550 -6.799 -1.123 1.00 0.00 C ATOM 0 H TRP A 6 13.050 -1.901 3.547 1.00 0.00 H new ATOM 0 HA TRP A 6 15.665 -1.137 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.602 -1.122 0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 6 15.230 -1.765 0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.056 -3.111 2.265 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.867 -5.648 1.885 1.00 0.00 H new ATOM 0 HE3 TRP A 6 15.801 -3.635 -1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.973 -7.530 0.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 16.104 -5.833 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 6 14.707 -7.752 -1.605 1.00 0.00 H new ATOM 87 N LYS A 7 14.432 1.179 2.619 1.00 0.00 N ATOM 88 CA LYS A 7 13.669 2.249 3.200 1.00 0.00 C ATOM 89 C LYS A 7 14.106 3.639 2.849 1.00 0.00 C ATOM 90 O LYS A 7 15.288 3.977 2.920 1.00 0.00 O ATOM 91 CB LYS A 7 13.700 2.078 4.702 1.00 0.00 C ATOM 92 CG LYS A 7 14.776 1.138 5.235 1.00 0.00 C ATOM 93 CD LYS A 7 16.176 1.610 4.864 1.00 0.00 C ATOM 94 CE LYS A 7 17.238 0.635 5.348 1.00 0.00 C ATOM 95 NZ LYS A 7 17.177 0.434 6.822 1.00 0.00 N ATOM 0 H LYS A 7 15.312 1.415 2.160 1.00 0.00 H new ATOM 0 HA LYS A 7 12.667 2.166 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.840 3.058 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.727 1.710 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.692 1.068 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.613 0.136 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.249 1.722 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.357 2.593 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.107 -0.323 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.225 1.007 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.030 -0.069 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.123 1.358 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.335 -0.128 7.061 1.00 0.00 H new ATOM 105 N VAL A 8 13.124 4.451 2.490 1.00 0.00 N ATOM 106 CA VAL A 8 13.378 5.831 2.143 1.00 0.00 C ATOM 107 C VAL A 8 12.148 6.600 1.845 1.00 0.00 C ATOM 108 O VAL A 8 11.844 7.613 2.470 1.00 0.00 O ATOM 109 CB VAL A 8 14.181 5.913 0.862 1.00 0.00 C ATOM 110 CG1 VAL A 8 15.621 6.260 1.108 1.00 0.00 C ATOM 111 CG2 VAL A 8 14.061 4.606 0.108 1.00 0.00 C ATOM 0 H VAL A 8 12.144 4.173 2.433 1.00 0.00 H new ATOM 0 HA VAL A 8 13.891 6.242 3.013 1.00 0.00 H new ATOM 0 HB VAL A 8 13.769 6.722 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.152 6.306 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.682 7.228 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.076 5.498 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.639 4.664 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.444 3.793 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.014 4.418 -0.131 1.00 0.00 H new ATOM 121 N ASP A 9 11.492 6.144 0.828 1.00 0.00 N ATOM 122 CA ASP A 9 10.328 6.798 0.354 1.00 0.00 C ATOM 123 C ASP A 9 9.426 5.805 -0.305 1.00 0.00 C ATOM 124 O ASP A 9 9.772 4.658 -0.476 1.00 0.00 O ATOM 125 CB ASP A 9 10.738 7.874 -0.650 1.00 0.00 C ATOM 126 CG ASP A 9 11.327 9.100 0.019 1.00 0.00 C ATOM 127 OD1 ASP A 9 10.616 9.735 0.828 1.00 0.00 O ATOM 128 OD2 ASP A 9 12.498 9.426 -0.264 1.00 0.00 O ATOM 0 H ASP A 9 11.752 5.307 0.306 1.00 0.00 H new ATOM 0 HA ASP A 9 9.797 7.258 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.467 7.458 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.868 8.168 -1.238 1.00 0.00 H new ATOM 132 N ARG A 10 8.320 6.288 -0.753 1.00 0.00 N ATOM 133 CA ARG A 10 7.418 5.517 -1.537 1.00 0.00 C ATOM 134 C ARG A 10 6.184 6.315 -1.816 1.00 0.00 C ATOM 135 O ARG A 10 5.078 5.871 -1.543 1.00 0.00 O ATOM 136 CB ARG A 10 7.045 4.275 -0.760 1.00 0.00 C ATOM 137 CG ARG A 10 6.484 4.596 0.609 1.00 0.00 C ATOM 138 CD ARG A 10 7.482 4.289 1.710 1.00 0.00 C ATOM 139 NE ARG A 10 6.855 4.234 3.031 1.00 0.00 N ATOM 140 CZ ARG A 10 6.175 5.240 3.581 1.00 0.00 C ATOM 141 NH1 ARG A 10 6.024 6.387 2.931 1.00 0.00 N ATOM 142 NH2 ARG A 10 5.645 5.096 4.788 1.00 0.00 N ATOM 0 H ARG A 10 8.011 7.245 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 10 7.888 5.244 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.309 3.703 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.925 3.641 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.208 5.650 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.573 4.021 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.968 3.336 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.262 5.050 1.712 1.00 0.00 H new ATOM 0 HE ARG A 10 6.944 3.370 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.430 6.504 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.502 7.151 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.758 4.217 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.124 5.864 5.211 1.00 0.00 H new ATOM 153 N ASN A 11 6.386 7.397 -2.502 1.00 0.00 N ATOM 154 CA ASN A 11 5.311 8.207 -3.048 1.00 0.00 C ATOM 155 C ASN A 11 5.663 9.655 -3.309 1.00 0.00 C ATOM 156 O ASN A 11 5.868 10.400 -2.361 1.00 0.00 O ATOM 157 CB ASN A 11 3.975 8.064 -2.364 1.00 0.00 C ATOM 158 CG ASN A 11 2.925 9.058 -2.872 1.00 0.00 C ATOM 159 OD1 ASN A 11 3.099 9.555 -4.104 1.00 0.00 O flip ATOM 160 ND2 ASN A 11 1.948 9.344 -2.180 1.00 0.00 N flip ATOM 0 H ASN A 11 7.317 7.760 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 11 5.182 7.752 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.606 7.049 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.107 8.202 -1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.850 8.945 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.236 9.980 -2.540 1.00 0.00 H new ATOM 166 N GLU A 12 5.585 10.099 -4.535 1.00 0.00 N ATOM 167 CA GLU A 12 5.743 11.511 -4.777 1.00 0.00 C ATOM 168 C GLU A 12 4.486 12.010 -5.334 1.00 0.00 C ATOM 169 O GLU A 12 4.237 11.885 -6.501 1.00 0.00 O ATOM 170 CB GLU A 12 6.809 11.951 -5.732 1.00 0.00 C ATOM 171 CG GLU A 12 8.189 12.155 -5.165 1.00 0.00 C ATOM 172 CD GLU A 12 9.248 12.301 -6.240 1.00 0.00 C ATOM 173 OE1 GLU A 12 9.129 13.230 -7.066 1.00 0.00 O ATOM 174 OE2 GLU A 12 10.201 11.494 -6.255 1.00 0.00 O ATOM 0 H GLU A 12 5.418 9.525 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 12 6.037 11.905 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.876 11.212 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.489 12.887 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.191 13.045 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.442 11.311 -4.524 1.00 0.00 H new ATOM 179 N ASN A 13 3.782 12.683 -4.509 1.00 0.00 N ATOM 180 CA ASN A 13 2.612 13.362 -4.894 1.00 0.00 C ATOM 181 C ASN A 13 3.178 14.531 -5.538 1.00 0.00 C ATOM 182 O ASN A 13 2.741 15.054 -6.559 1.00 0.00 O ATOM 183 CB ASN A 13 1.841 13.822 -3.691 1.00 0.00 C ATOM 184 CG ASN A 13 1.103 12.729 -2.983 1.00 0.00 C ATOM 185 OD1 ASN A 13 0.293 12.080 -3.755 1.00 0.00 O flip ATOM 186 ND2 ASN A 13 1.257 12.494 -1.784 1.00 0.00 N flip ATOM 0 H ASN A 13 4.011 12.779 -3.520 1.00 0.00 H new ATOM 0 HA ASN A 13 1.934 12.759 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.530 14.294 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.128 14.586 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.915 13.048 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.727 11.745 -1.339 1.00 0.00 H new ATOM 192 N TYR A 14 4.257 14.864 -4.899 1.00 0.00 N ATOM 193 CA TYR A 14 5.074 15.885 -5.297 1.00 0.00 C ATOM 194 C TYR A 14 5.491 15.586 -6.678 1.00 0.00 C ATOM 195 O TYR A 14 5.945 16.465 -7.365 1.00 0.00 O ATOM 196 CB TYR A 14 6.250 15.940 -4.345 1.00 0.00 C ATOM 197 CG TYR A 14 7.521 16.531 -4.927 1.00 0.00 C ATOM 198 CD1 TYR A 14 7.488 17.719 -5.649 1.00 0.00 C ATOM 199 CD2 TYR A 14 8.747 15.899 -4.766 1.00 0.00 C ATOM 200 CE1 TYR A 14 8.631 18.256 -6.199 1.00 0.00 C ATOM 201 CE2 TYR A 14 9.901 16.432 -5.312 1.00 0.00 C ATOM 202 CZ TYR A 14 9.836 17.610 -6.030 1.00 0.00 C ATOM 203 OH TYR A 14 10.981 18.142 -6.576 1.00 0.00 O ATOM 0 H TYR A 14 4.575 14.389 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 14 4.582 16.858 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.963 16.524 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.464 14.929 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.546 18.231 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.800 14.977 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.583 19.178 -6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.848 15.930 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 14 11.744 17.564 -6.364 1.00 0.00 H new ATOM 212 N GLU A 15 5.308 14.330 -7.090 1.00 0.00 N ATOM 213 CA GLU A 15 5.618 13.979 -8.439 1.00 0.00 C ATOM 214 C GLU A 15 4.381 13.758 -9.185 1.00 0.00 C ATOM 215 O GLU A 15 4.250 14.179 -10.275 1.00 0.00 O ATOM 216 CB GLU A 15 6.519 12.779 -8.584 1.00 0.00 C ATOM 217 CG GLU A 15 5.784 11.442 -8.551 1.00 0.00 C ATOM 218 CD GLU A 15 6.651 10.301 -9.055 1.00 0.00 C ATOM 219 OE1 GLU A 15 7.813 10.561 -9.430 1.00 0.00 O ATOM 220 OE2 GLU A 15 6.172 9.152 -9.073 1.00 0.00 O ATOM 0 H GLU A 15 4.954 13.569 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 15 6.178 14.822 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.064 12.859 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.259 12.795 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.464 11.230 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.883 11.509 -9.161 1.00 0.00 H new ATOM 225 N LYS A 16 3.477 13.094 -8.574 1.00 0.00 N ATOM 226 CA LYS A 16 2.240 12.787 -9.234 1.00 0.00 C ATOM 227 C LYS A 16 1.655 14.024 -9.690 1.00 0.00 C ATOM 228 O LYS A 16 1.562 14.313 -10.861 1.00 0.00 O ATOM 229 CB LYS A 16 1.235 12.156 -8.268 1.00 0.00 C ATOM 230 CG LYS A 16 1.842 11.272 -7.225 1.00 0.00 C ATOM 231 CD LYS A 16 0.855 10.982 -6.163 1.00 0.00 C ATOM 232 CE LYS A 16 0.718 9.508 -5.870 1.00 0.00 C ATOM 233 NZ LYS A 16 -0.336 9.256 -4.854 1.00 0.00 N ATOM 0 H LYS A 16 3.556 12.746 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 16 2.451 12.094 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.679 12.952 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.514 11.575 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.182 10.341 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.719 11.755 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.148 11.502 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.116 11.380 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.476 8.973 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.671 9.116 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.048 8.465 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.471 10.109 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.228 9.017 -5.332 1.00 0.00 H new ATOM 243 N PHE A 17 1.321 14.770 -8.731 1.00 0.00 N ATOM 244 CA PHE A 17 0.743 16.025 -8.973 1.00 0.00 C ATOM 245 C PHE A 17 1.722 16.819 -9.725 1.00 0.00 C ATOM 246 O PHE A 17 1.381 17.703 -10.506 1.00 0.00 O ATOM 247 CB PHE A 17 0.409 16.698 -7.662 1.00 0.00 C ATOM 248 CG PHE A 17 -0.330 15.812 -6.652 1.00 0.00 C ATOM 249 CD1 PHE A 17 -0.041 14.457 -6.495 1.00 0.00 C ATOM 250 CD2 PHE A 17 -1.390 16.322 -5.915 1.00 0.00 C ATOM 251 CE1 PHE A 17 -0.747 13.673 -5.667 1.00 0.00 C ATOM 252 CE2 PHE A 17 -2.103 15.505 -5.050 1.00 0.00 C ATOM 253 CZ PHE A 17 -1.767 14.167 -4.934 1.00 0.00 C ATOM 0 H PHE A 17 1.438 14.533 -7.746 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.182 15.926 -9.542 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.334 17.051 -7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.201 17.578 -7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.775 14.026 -7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.662 17.362 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.494 12.626 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.918 15.911 -4.469 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.316 13.524 -4.263 1.00 0.00 H new ATOM 262 N MET A 18 2.952 16.474 -9.500 1.00 0.00 N ATOM 263 CA MET A 18 3.997 17.139 -10.172 1.00 0.00 C ATOM 264 C MET A 18 4.065 16.697 -11.595 1.00 0.00 C ATOM 265 O MET A 18 4.569 17.399 -12.474 1.00 0.00 O ATOM 266 CB MET A 18 5.282 16.826 -9.509 1.00 0.00 C ATOM 267 CG MET A 18 6.436 16.724 -10.482 1.00 0.00 C ATOM 268 SD MET A 18 7.922 16.009 -9.751 1.00 0.00 S ATOM 269 CE MET A 18 9.053 16.100 -11.136 1.00 0.00 C ATOM 0 H MET A 18 3.245 15.738 -8.857 1.00 0.00 H new ATOM 0 HA MET A 18 3.808 18.212 -10.140 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.502 17.598 -8.771 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.186 15.885 -8.967 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.131 16.118 -11.335 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.669 17.718 -10.864 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.021 15.694 -10.843 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.655 15.522 -11.970 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.173 17.140 -11.440 1.00 0.00 H new ATOM 277 N GLU A 19 3.602 15.508 -11.819 1.00 0.00 N ATOM 278 CA GLU A 19 3.657 14.981 -13.115 1.00 0.00 C ATOM 279 C GLU A 19 2.306 15.130 -13.747 1.00 0.00 C ATOM 280 O GLU A 19 2.108 14.723 -14.892 1.00 0.00 O ATOM 281 CB GLU A 19 4.066 13.510 -13.088 1.00 0.00 C ATOM 282 CG GLU A 19 5.303 13.202 -12.229 1.00 0.00 C ATOM 283 CD GLU A 19 5.863 11.814 -12.473 1.00 0.00 C ATOM 284 OE1 GLU A 19 5.302 11.087 -13.319 1.00 0.00 O ATOM 285 OE2 GLU A 19 6.863 11.454 -11.817 1.00 0.00 O ATOM 0 H GLU A 19 3.186 14.898 -11.115 1.00 0.00 H new ATOM 0 HA GLU A 19 4.404 15.523 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.227 12.921 -12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.259 13.182 -14.109 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.076 13.942 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.041 13.302 -11.176 1.00 0.00 H new ATOM 290 N LYS A 20 1.345 15.682 -12.996 1.00 0.00 N ATOM 291 CA LYS A 20 0.021 15.793 -13.578 1.00 0.00 C ATOM 292 C LYS A 20 -0.902 16.810 -12.919 1.00 0.00 C ATOM 293 O LYS A 20 -1.379 17.735 -13.579 1.00 0.00 O ATOM 294 CB LYS A 20 -0.632 14.419 -13.544 1.00 0.00 C ATOM 295 CG LYS A 20 -0.536 13.737 -12.185 1.00 0.00 C ATOM 296 CD LYS A 20 -0.800 12.249 -12.311 1.00 0.00 C ATOM 297 CE LYS A 20 0.216 11.576 -13.223 1.00 0.00 C ATOM 298 NZ LYS A 20 -0.055 10.121 -13.381 1.00 0.00 N ATOM 0 H LYS A 20 1.454 16.036 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 20 0.166 16.163 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.682 14.517 -13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.163 13.783 -14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.454 13.901 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.256 14.182 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.766 11.788 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.804 12.089 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.199 12.056 -14.201 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.217 11.716 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.549 9.735 -14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.151 9.630 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.054 9.979 -13.631 1.00 0.00 H new ATOM 308 N MET A 21 -1.197 16.606 -11.646 1.00 0.00 N ATOM 309 CA MET A 21 -2.117 17.476 -10.924 1.00 0.00 C ATOM 310 C MET A 21 -1.922 18.933 -11.234 1.00 0.00 C ATOM 311 O MET A 21 -2.847 19.610 -11.686 1.00 0.00 O ATOM 312 CB MET A 21 -1.949 17.307 -9.442 1.00 0.00 C ATOM 313 CG MET A 21 -2.402 15.972 -8.935 1.00 0.00 C ATOM 314 SD MET A 21 -4.082 15.558 -9.441 1.00 0.00 S ATOM 315 CE MET A 21 -4.294 13.974 -8.641 1.00 0.00 C ATOM 0 H MET A 21 -0.813 15.844 -11.088 1.00 0.00 H new ATOM 0 HA MET A 21 -3.114 17.179 -11.250 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.899 17.446 -9.186 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.509 18.090 -8.930 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.720 15.202 -9.296 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.344 15.964 -7.847 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.323 13.876 -8.296 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.071 13.176 -9.349 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.617 13.903 -7.789 1.00 0.00 H new ATOM 323 N GLY A 22 -0.731 19.431 -10.959 1.00 0.00 N ATOM 324 CA GLY A 22 -0.511 20.852 -11.205 1.00 0.00 C ATOM 325 C GLY A 22 0.923 21.288 -11.092 1.00 0.00 C ATOM 326 O GLY A 22 1.390 22.084 -11.905 1.00 0.00 O ATOM 0 H GLY A 22 0.063 18.911 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.874 21.096 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.110 21.427 -10.499 1.00 0.00 H new ATOM 330 N ILE A 23 1.624 20.771 -10.091 1.00 0.00 N ATOM 331 CA ILE A 23 3.028 21.107 -9.882 1.00 0.00 C ATOM 332 C ILE A 23 3.201 22.608 -9.625 1.00 0.00 C ATOM 333 O ILE A 23 4.319 23.127 -9.599 1.00 0.00 O ATOM 334 CB ILE A 23 3.880 20.656 -11.101 1.00 0.00 C ATOM 335 CG1 ILE A 23 4.205 21.825 -12.044 1.00 0.00 C ATOM 336 CG2 ILE A 23 3.133 19.570 -11.871 1.00 0.00 C ATOM 337 CD1 ILE A 23 5.064 21.433 -13.229 1.00 0.00 C ATOM 0 H ILE A 23 1.243 20.115 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 23 3.378 20.574 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 23 4.824 20.268 -10.720 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.272 22.255 -12.409 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.716 22.605 -11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.731 19.254 -12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.956 18.717 -11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.179 19.963 -12.221 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.251 22.310 -13.849 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.013 21.031 -12.873 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.547 20.676 -13.819 1.00 0.00 H new ATOM 348 N ASN A 24 2.079 23.300 -9.433 1.00 0.00 N ATOM 349 CA ASN A 24 2.092 24.738 -9.188 1.00 0.00 C ATOM 350 C ASN A 24 2.815 25.090 -7.890 1.00 0.00 C ATOM 351 O ASN A 24 3.785 25.848 -7.905 1.00 0.00 O ATOM 352 CB ASN A 24 0.659 25.279 -9.146 1.00 0.00 C ATOM 353 CG ASN A 24 0.595 26.797 -9.043 1.00 0.00 C ATOM 354 OD1 ASN A 24 1.748 27.458 -9.096 1.00 0.00 O flip ATOM 355 ND2 ASN A 24 -0.487 27.371 -8.927 1.00 0.00 N flip ATOM 0 H ASN A 24 1.147 22.885 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 24 2.637 25.204 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.130 24.959 -10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.137 24.841 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.350 26.829 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.521 28.389 -8.868 1.00 0.00 H new ATOM 361 N VAL A 25 2.340 24.550 -6.767 1.00 0.00 N ATOM 362 CA VAL A 25 2.955 24.841 -5.473 1.00 0.00 C ATOM 363 C VAL A 25 2.826 23.678 -4.492 1.00 0.00 C ATOM 364 O VAL A 25 2.618 23.889 -3.297 1.00 0.00 O ATOM 365 CB VAL A 25 2.342 26.102 -4.828 1.00 0.00 C ATOM 366 CG1 VAL A 25 2.711 27.351 -5.613 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.830 25.967 -4.720 1.00 0.00 C ATOM 0 H VAL A 25 1.541 23.917 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 25 4.012 25.009 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 25 2.754 26.200 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.266 28.225 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.795 27.461 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.336 27.264 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.416 26.866 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.404 25.837 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.585 25.101 -4.105 1.00 0.00 H new ATOM 377 N VAL A 26 2.979 22.456 -4.993 1.00 0.00 N ATOM 378 CA VAL A 26 2.908 21.268 -4.145 1.00 0.00 C ATOM 379 C VAL A 26 1.627 21.228 -3.302 1.00 0.00 C ATOM 380 O VAL A 26 1.560 21.799 -2.211 1.00 0.00 O ATOM 381 CB VAL A 26 4.161 21.179 -3.229 1.00 0.00 C ATOM 382 CG1 VAL A 26 3.897 20.363 -1.967 1.00 0.00 C ATOM 383 CG2 VAL A 26 5.329 20.577 -4.002 1.00 0.00 C ATOM 0 H VAL A 26 3.153 22.261 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 26 2.885 20.403 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 26 4.408 22.193 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.801 20.330 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.093 20.827 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.608 19.349 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.203 20.518 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.062 19.577 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.558 21.205 -4.863 1.00 0.00 H new ATOM 393 N LYS A 27 0.624 20.509 -3.800 1.00 0.00 N ATOM 394 CA LYS A 27 -0.632 20.340 -3.074 1.00 0.00 C ATOM 395 C LYS A 27 -0.444 19.197 -2.082 1.00 0.00 C ATOM 396 O LYS A 27 0.243 19.357 -1.072 1.00 0.00 O ATOM 397 CB LYS A 27 -1.789 20.044 -4.035 1.00 0.00 C ATOM 398 CG LYS A 27 -2.043 21.148 -5.050 1.00 0.00 C ATOM 399 CD LYS A 27 -3.233 20.822 -5.938 1.00 0.00 C ATOM 400 CE LYS A 27 -3.490 21.921 -6.956 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.794 23.226 -6.304 1.00 0.00 N ATOM 0 H LYS A 27 0.656 20.035 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.886 21.260 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.579 19.116 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.697 19.880 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.222 22.089 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.155 21.289 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.054 19.880 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.121 20.682 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.616 22.032 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.323 21.633 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.175 23.887 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.496 23.082 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.923 23.621 -5.895 1.00 0.00 H new ATOM 411 N ARG A 28 -0.991 18.024 -2.398 1.00 0.00 N ATOM 412 CA ARG A 28 -0.797 16.857 -1.547 1.00 0.00 C ATOM 413 C ARG A 28 0.638 16.373 -1.713 1.00 0.00 C ATOM 414 O ARG A 28 1.057 15.409 -1.077 1.00 0.00 O ATOM 415 CB ARG A 28 -1.793 15.729 -1.897 1.00 0.00 C ATOM 416 CG ARG A 28 -1.270 14.322 -1.608 1.00 0.00 C ATOM 417 CD ARG A 28 -2.338 13.253 -1.735 1.00 0.00 C ATOM 418 NE ARG A 28 -1.842 11.959 -1.269 1.00 0.00 N ATOM 419 CZ ARG A 28 -2.496 10.813 -1.419 1.00 0.00 C ATOM 420 NH1 ARG A 28 -3.649 10.785 -2.066 1.00 0.00 N ATOM 421 NH2 ARG A 28 -1.986 9.690 -0.935 1.00 0.00 N ATOM 0 H ARG A 28 -1.564 17.860 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.982 17.136 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.714 15.885 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.049 15.800 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.454 14.096 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.855 14.295 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.216 13.540 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.655 13.172 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.937 11.935 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.038 11.645 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.149 9.903 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.091 9.705 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.489 8.810 -1.051 1.00 0.00 H new ATOM 432 N LYS A 29 1.383 17.053 -2.595 1.00 0.00 N ATOM 433 CA LYS A 29 2.763 16.697 -2.877 1.00 0.00 C ATOM 434 C LYS A 29 3.606 16.515 -1.638 1.00 0.00 C ATOM 435 O LYS A 29 3.235 15.808 -0.703 1.00 0.00 O ATOM 436 CB LYS A 29 3.443 17.699 -3.768 1.00 0.00 C ATOM 437 CG LYS A 29 2.788 17.898 -5.111 1.00 0.00 C ATOM 438 CD LYS A 29 3.730 18.630 -6.038 1.00 0.00 C ATOM 439 CE LYS A 29 3.319 18.482 -7.468 1.00 0.00 C ATOM 440 NZ LYS A 29 2.052 19.192 -7.778 1.00 0.00 N ATOM 0 H LYS A 29 1.042 17.856 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 29 2.689 15.738 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.479 18.658 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.474 17.383 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.518 16.933 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.864 18.465 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.754 19.687 -5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.742 18.246 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.112 18.865 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.203 17.423 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.770 18.987 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.306 18.871 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.192 20.216 -7.665 1.00 0.00 H new ATOM 450 N LEU A 30 4.816 17.060 -1.697 1.00 0.00 N ATOM 451 CA LEU A 30 5.767 16.852 -0.635 1.00 0.00 C ATOM 452 C LEU A 30 6.112 15.391 -0.742 1.00 0.00 C ATOM 453 O LEU A 30 6.769 14.807 0.119 1.00 0.00 O ATOM 454 CB LEU A 30 5.171 17.178 0.739 1.00 0.00 C ATOM 455 CG LEU A 30 4.744 18.634 0.943 1.00 0.00 C ATOM 456 CD1 LEU A 30 4.099 18.811 2.308 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.936 19.568 0.794 1.00 0.00 C ATOM 0 H LEU A 30 5.150 17.642 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 30 6.636 17.503 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.304 16.537 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.904 16.922 1.504 1.00 0.00 H new ATOM 0 HG LEU A 30 4.011 18.888 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.801 19.851 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.220 18.170 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.812 18.538 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.612 20.598 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.692 19.315 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.359 19.461 -0.205 1.00 0.00 H new ATOM 468 N GLY A 31 5.608 14.831 -1.854 1.00 0.00 N ATOM 469 CA GLY A 31 5.775 13.454 -2.188 1.00 0.00 C ATOM 470 C GLY A 31 6.766 12.687 -1.328 1.00 0.00 C ATOM 471 O GLY A 31 6.371 11.868 -0.496 1.00 0.00 O ATOM 0 H GLY A 31 5.067 15.354 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.805 12.962 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.095 13.387 -3.228 1.00 0.00 H new ATOM 475 N ALA A 32 8.052 12.922 -1.556 1.00 0.00 N ATOM 476 CA ALA A 32 9.100 12.201 -0.824 1.00 0.00 C ATOM 477 C ALA A 32 9.797 13.040 0.259 1.00 0.00 C ATOM 478 O ALA A 32 9.144 13.610 1.132 1.00 0.00 O ATOM 479 CB ALA A 32 10.118 11.651 -1.815 1.00 0.00 C ATOM 0 H ALA A 32 8.398 13.600 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 32 8.610 11.388 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.898 11.115 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.622 10.970 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.564 12.474 -2.374 1.00 0.00 H new ATOM 485 N HIS A 33 11.137 13.063 0.200 1.00 0.00 N ATOM 486 CA HIS A 33 11.989 13.780 1.157 1.00 0.00 C ATOM 487 C HIS A 33 11.563 13.546 2.611 1.00 0.00 C ATOM 488 O HIS A 33 11.334 14.488 3.370 1.00 0.00 O ATOM 489 CB HIS A 33 12.083 15.284 0.830 1.00 0.00 C ATOM 490 CG HIS A 33 10.874 16.106 1.170 1.00 0.00 C ATOM 491 ND1 HIS A 33 9.641 15.918 0.592 1.00 0.00 N ATOM 492 CD2 HIS A 33 10.729 17.144 2.029 1.00 0.00 C ATOM 493 CE1 HIS A 33 8.788 16.804 1.075 1.00 0.00 C ATOM 494 NE2 HIS A 33 9.424 17.558 1.949 1.00 0.00 N ATOM 0 H HIS A 33 11.665 12.577 -0.524 1.00 0.00 H new ATOM 0 HA HIS A 33 12.989 13.360 1.051 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.941 15.698 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.284 15.392 -0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.498 17.566 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.747 16.895 0.800 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.012 18.325 2.480 1.00 0.00 H new ATOM 502 N ALA A 34 11.480 12.273 3.005 1.00 0.00 N ATOM 503 CA ALA A 34 11.102 11.925 4.374 1.00 0.00 C ATOM 504 C ALA A 34 11.604 10.529 4.770 1.00 0.00 C ATOM 505 O ALA A 34 11.424 9.565 4.029 1.00 0.00 O ATOM 506 CB ALA A 34 9.592 12.008 4.537 1.00 0.00 C ATOM 0 H ALA A 34 11.668 11.473 2.400 1.00 0.00 H new ATOM 0 HA ALA A 34 11.577 12.645 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.322 11.747 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.258 13.023 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.113 11.314 3.847 1.00 0.00 H new ATOM 512 N ASN A 35 12.226 10.433 5.951 1.00 0.00 N ATOM 513 CA ASN A 35 12.747 9.155 6.459 1.00 0.00 C ATOM 514 C ASN A 35 11.607 8.177 6.733 1.00 0.00 C ATOM 515 O ASN A 35 10.549 8.578 7.211 1.00 0.00 O ATOM 516 CB ASN A 35 13.558 9.382 7.737 1.00 0.00 C ATOM 517 CG ASN A 35 14.761 10.276 7.508 1.00 0.00 C ATOM 518 OD1 ASN A 35 14.623 11.427 7.093 1.00 0.00 O ATOM 519 ND2 ASN A 35 15.949 9.748 7.776 1.00 0.00 N ATOM 0 H ASN A 35 12.382 11.225 6.575 1.00 0.00 H new ATOM 0 HA ASN A 35 13.397 8.726 5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.916 9.829 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.892 8.421 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.795 10.301 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.016 8.789 8.118 1.00 0.00 H new ATOM 525 N LEU A 36 11.813 6.895 6.411 1.00 0.00 N ATOM 526 CA LEU A 36 10.800 5.884 6.609 1.00 0.00 C ATOM 527 C LEU A 36 11.401 4.534 6.359 1.00 0.00 C ATOM 528 O LEU A 36 12.326 4.430 5.556 1.00 0.00 O ATOM 529 CB LEU A 36 9.640 6.124 5.648 1.00 0.00 C ATOM 530 CG LEU A 36 10.056 6.220 4.178 1.00 0.00 C ATOM 531 CD1 LEU A 36 10.368 4.848 3.605 1.00 0.00 C ATOM 532 CD2 LEU A 36 8.978 6.924 3.360 1.00 0.00 C ATOM 0 H LEU A 36 12.683 6.544 6.010 1.00 0.00 H new ATOM 0 HA LEU A 36 10.426 5.932 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.918 5.315 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.132 7.046 5.932 1.00 0.00 H new ATOM 0 HG LEU A 36 10.968 6.815 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.660 4.948 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.184 4.395 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.484 4.215 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.292 6.983 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.046 6.363 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.825 7.930 3.750 1.00 0.00 H new ATOM 543 N LYS A 37 10.911 3.483 6.999 1.00 0.00 N ATOM 544 CA LYS A 37 11.501 2.212 6.704 1.00 0.00 C ATOM 545 C LYS A 37 10.501 1.269 6.056 1.00 0.00 C ATOM 546 O LYS A 37 9.303 1.375 6.308 1.00 0.00 O ATOM 547 CB LYS A 37 12.134 1.582 7.924 1.00 0.00 C ATOM 548 CG LYS A 37 11.139 1.039 8.919 1.00 0.00 C ATOM 549 CD LYS A 37 11.841 0.750 10.224 1.00 0.00 C ATOM 550 CE LYS A 37 10.946 0.017 11.208 1.00 0.00 C ATOM 551 NZ LYS A 37 10.523 -1.315 10.692 1.00 0.00 N ATOM 0 H LYS A 37 10.154 3.489 7.682 1.00 0.00 H new ATOM 0 HA LYS A 37 12.300 2.395 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.790 0.773 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.761 2.324 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.336 1.759 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.680 0.130 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.732 0.152 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.177 1.687 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.474 -0.111 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.064 0.622 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.761 -1.693 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.180 -1.216 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.333 -1.967 10.710 1.00 0.00 H new ATOM 561 N LEU A 38 10.980 0.363 5.198 1.00 0.00 N ATOM 562 CA LEU A 38 10.082 -0.556 4.522 1.00 0.00 C ATOM 563 C LEU A 38 10.477 -2.003 4.757 1.00 0.00 C ATOM 564 O LEU A 38 11.472 -2.473 4.221 1.00 0.00 O ATOM 565 CB LEU A 38 10.149 -0.322 3.023 1.00 0.00 C ATOM 566 CG LEU A 38 8.887 -0.633 2.210 1.00 0.00 C ATOM 567 CD1 LEU A 38 8.307 -1.994 2.567 1.00 0.00 C ATOM 568 CD2 LEU A 38 7.861 0.472 2.392 1.00 0.00 C ATOM 0 H LEU A 38 11.966 0.253 4.963 1.00 0.00 H new ATOM 0 HA LEU A 38 9.083 -0.376 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.410 0.723 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.966 -0.923 2.623 1.00 0.00 H new ATOM 0 HG LEU A 38 9.165 -0.676 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.414 -2.177 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.046 -2.769 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.046 -2.012 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.969 0.240 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.596 0.552 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.281 1.418 2.051 1.00 0.00 H new ATOM 579 N THR A 39 9.670 -2.714 5.502 1.00 0.00 N ATOM 580 CA THR A 39 9.906 -4.122 5.762 1.00 0.00 C ATOM 581 C THR A 39 8.607 -4.867 5.358 1.00 0.00 C ATOM 582 O THR A 39 7.619 -4.188 5.095 1.00 0.00 O ATOM 583 CB THR A 39 10.260 -4.326 7.240 1.00 0.00 C ATOM 584 OG1 THR A 39 11.363 -3.482 7.593 1.00 0.00 O ATOM 585 CG2 THR A 39 10.627 -5.778 7.520 1.00 0.00 C ATOM 0 H THR A 39 8.832 -2.340 5.947 1.00 0.00 H new ATOM 0 HA THR A 39 10.747 -4.512 5.189 1.00 0.00 H new ATOM 0 HB THR A 39 9.386 -4.067 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.586 -3.614 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.874 -5.894 8.575 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.783 -6.421 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.488 -6.059 6.913 1.00 0.00 H new ATOM 593 N ILE A 40 8.562 -6.213 5.275 1.00 0.00 N ATOM 594 CA ILE A 40 7.332 -6.901 4.868 1.00 0.00 C ATOM 595 C ILE A 40 7.508 -8.380 5.191 1.00 0.00 C ATOM 596 O ILE A 40 8.417 -9.001 4.640 1.00 0.00 O ATOM 597 CB ILE A 40 7.101 -6.784 3.338 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.334 -7.262 2.568 1.00 0.00 C ATOM 599 CG2 ILE A 40 6.718 -5.373 2.911 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.497 -6.287 2.552 1.00 0.00 C ATOM 0 H ILE A 40 9.348 -6.829 5.481 1.00 0.00 H new ATOM 0 HA ILE A 40 6.486 -6.453 5.390 1.00 0.00 H new ATOM 0 HB ILE A 40 6.257 -7.430 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.673 -8.202 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.042 -7.473 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.568 -5.348 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.796 -5.079 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.515 -4.681 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.322 -6.715 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.182 -5.352 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.823 -6.093 3.574 1.00 0.00 H new ATOM 611 N THR A 41 6.725 -8.976 6.095 1.00 0.00 N ATOM 612 CA THR A 41 7.011 -10.379 6.382 1.00 0.00 C ATOM 613 C THR A 41 6.013 -11.113 7.307 1.00 0.00 C ATOM 614 O THR A 41 5.729 -10.651 8.412 1.00 0.00 O ATOM 615 CB THR A 41 8.446 -10.443 6.948 1.00 0.00 C ATOM 616 OG1 THR A 41 8.879 -11.798 7.103 1.00 0.00 O ATOM 617 CG2 THR A 41 8.559 -9.709 8.267 1.00 0.00 C ATOM 0 H THR A 41 5.950 -8.550 6.603 1.00 0.00 H new ATOM 0 HA THR A 41 6.903 -10.922 5.443 1.00 0.00 H new ATOM 0 HB THR A 41 9.096 -9.948 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.196 -12.141 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.583 -9.776 8.634 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.292 -8.662 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.883 -10.160 8.993 1.00 0.00 H new ATOM 625 N GLN A 42 5.547 -12.306 6.866 1.00 0.00 N ATOM 626 CA GLN A 42 4.661 -13.156 7.665 1.00 0.00 C ATOM 627 C GLN A 42 4.223 -14.412 6.918 1.00 0.00 C ATOM 628 O GLN A 42 4.695 -15.505 7.233 1.00 0.00 O ATOM 629 CB GLN A 42 3.411 -12.470 8.193 1.00 0.00 C ATOM 630 CG GLN A 42 2.421 -13.484 8.739 1.00 0.00 C ATOM 631 CD GLN A 42 2.834 -14.060 10.084 1.00 0.00 C ATOM 632 OE1 GLN A 42 3.952 -13.587 10.627 1.00 0.00 O flip ATOM 633 NE2 GLN A 42 2.149 -14.922 10.634 1.00 0.00 N flip ATOM 0 H GLN A 42 5.778 -12.695 5.952 1.00 0.00 H new ATOM 0 HA GLN A 42 5.287 -13.414 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.684 -11.764 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.943 -11.894 7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.444 -13.011 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.310 -14.297 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.297 -15.260 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.433 -15.299 11.538 1.00 0.00 H new ATOM 640 N GLU A 43 3.309 -14.286 5.941 1.00 0.00 N ATOM 641 CA GLU A 43 2.857 -15.458 5.233 1.00 0.00 C ATOM 642 C GLU A 43 3.334 -15.366 3.807 1.00 0.00 C ATOM 643 O GLU A 43 3.808 -14.296 3.418 1.00 0.00 O ATOM 644 CB GLU A 43 1.341 -15.590 5.286 1.00 0.00 C ATOM 645 CG GLU A 43 0.751 -15.347 6.661 1.00 0.00 C ATOM 646 CD GLU A 43 1.146 -16.410 7.670 1.00 0.00 C ATOM 647 OE1 GLU A 43 1.869 -17.355 7.290 1.00 0.00 O ATOM 648 OE2 GLU A 43 0.727 -16.298 8.842 1.00 0.00 O ATOM 0 H GLU A 43 2.889 -13.406 5.642 1.00 0.00 H new ATOM 0 HA GLU A 43 3.270 -16.348 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.900 -14.884 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.061 -16.589 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.076 -14.371 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.336 -15.313 6.584 1.00 0.00 H new ATOM 653 N GLY A 44 3.257 -16.424 2.988 1.00 0.00 N ATOM 654 CA GLY A 44 3.765 -16.175 1.673 1.00 0.00 C ATOM 655 C GLY A 44 2.712 -15.972 0.602 1.00 0.00 C ATOM 656 O GLY A 44 2.511 -16.770 -0.314 1.00 0.00 O ATOM 0 H GLY A 44 2.889 -17.353 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.400 -15.290 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.400 -17.012 1.382 1.00 0.00 H new ATOM 660 N ASN A 45 2.220 -14.764 0.685 1.00 0.00 N ATOM 661 CA ASN A 45 1.336 -14.074 -0.237 1.00 0.00 C ATOM 662 C ASN A 45 1.058 -12.824 0.527 1.00 0.00 C ATOM 663 O ASN A 45 0.017 -12.723 1.166 1.00 0.00 O ATOM 664 CB ASN A 45 0.028 -14.825 -0.520 1.00 0.00 C ATOM 665 CG ASN A 45 -0.528 -15.609 0.671 1.00 0.00 C ATOM 666 OD1 ASN A 45 0.146 -15.569 1.821 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -1.570 -16.254 0.552 1.00 0.00 N flip ATOM 0 H ASN A 45 2.449 -14.171 1.483 1.00 0.00 H new ATOM 0 HA ASN A 45 1.777 -13.944 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.724 -14.107 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.193 -15.515 -1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.064 -16.266 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.940 -16.777 1.346 1.00 0.00 H new ATOM 673 N LYS A 46 2.004 -11.921 0.544 1.00 0.00 N ATOM 674 CA LYS A 46 1.857 -10.749 1.367 1.00 0.00 C ATOM 675 C LYS A 46 3.077 -9.848 1.276 1.00 0.00 C ATOM 676 O LYS A 46 4.120 -10.304 0.823 1.00 0.00 O ATOM 677 CB LYS A 46 1.661 -11.236 2.778 1.00 0.00 C ATOM 678 CG LYS A 46 0.274 -10.993 3.281 1.00 0.00 C ATOM 679 CD LYS A 46 -0.150 -11.988 4.367 1.00 0.00 C ATOM 680 CE LYS A 46 -0.369 -13.376 3.819 1.00 0.00 C ATOM 681 NZ LYS A 46 -1.295 -14.170 4.672 1.00 0.00 N ATOM 0 H LYS A 46 2.870 -11.972 0.008 1.00 0.00 H new ATOM 0 HA LYS A 46 1.008 -10.153 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.879 -12.303 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.374 -10.736 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.209 -9.980 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.425 -11.053 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.615 -12.023 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.068 -11.637 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.774 -13.308 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.588 -13.892 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.050 -15.179 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.210 -13.858 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.273 -14.029 4.348 1.00 0.00 H new ATOM 691 N PHE A 47 2.982 -8.618 1.806 1.00 0.00 N ATOM 692 CA PHE A 47 4.135 -7.707 1.849 1.00 0.00 C ATOM 693 C PHE A 47 3.806 -6.563 2.792 1.00 0.00 C ATOM 694 O PHE A 47 3.007 -5.688 2.456 1.00 0.00 O ATOM 695 CB PHE A 47 4.522 -7.193 0.457 1.00 0.00 C ATOM 696 CG PHE A 47 5.141 -8.254 -0.413 1.00 0.00 C ATOM 697 CD1 PHE A 47 6.422 -8.712 -0.156 1.00 0.00 C ATOM 698 CD2 PHE A 47 4.439 -8.805 -1.473 1.00 0.00 C ATOM 699 CE1 PHE A 47 6.991 -9.697 -0.940 1.00 0.00 C ATOM 700 CE2 PHE A 47 5.004 -9.787 -2.261 1.00 0.00 C ATOM 701 CZ PHE A 47 6.282 -10.234 -1.994 1.00 0.00 C ATOM 0 H PHE A 47 2.126 -8.235 2.207 1.00 0.00 H new ATOM 0 HA PHE A 47 5.005 -8.252 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.635 -6.798 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.223 -6.365 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.983 -8.294 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.437 -8.462 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.991 -10.046 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.446 -10.205 -3.086 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.726 -11.003 -2.609 1.00 0.00 H new ATOM 710 N THR A 48 4.366 -6.611 4.011 1.00 0.00 N ATOM 711 CA THR A 48 4.043 -5.617 4.993 1.00 0.00 C ATOM 712 C THR A 48 4.835 -5.705 6.305 1.00 0.00 C ATOM 713 O THR A 48 4.652 -6.623 7.089 1.00 0.00 O ATOM 714 CB THR A 48 2.574 -5.743 5.318 1.00 0.00 C ATOM 715 OG1 THR A 48 1.964 -4.449 5.287 1.00 0.00 O ATOM 716 CG2 THR A 48 2.428 -6.403 6.678 1.00 0.00 C ATOM 0 H THR A 48 5.030 -7.322 4.317 1.00 0.00 H new ATOM 0 HA THR A 48 4.310 -4.658 4.550 1.00 0.00 H new ATOM 0 HB THR A 48 2.068 -6.364 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.168 -4.476 4.715 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.371 -6.500 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.887 -7.392 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.922 -5.792 7.434 1.00 0.00 H new ATOM 724 N VAL A 49 5.641 -4.723 6.581 1.00 0.00 N ATOM 725 CA VAL A 49 6.345 -4.642 7.850 1.00 0.00 C ATOM 726 C VAL A 49 7.055 -3.314 7.871 1.00 0.00 C ATOM 727 O VAL A 49 8.033 -3.196 7.208 1.00 0.00 O ATOM 728 CB VAL A 49 7.427 -5.724 8.077 1.00 0.00 C ATOM 729 CG1 VAL A 49 8.202 -5.404 9.341 1.00 0.00 C ATOM 730 CG2 VAL A 49 6.893 -7.132 8.188 1.00 0.00 C ATOM 0 H VAL A 49 5.836 -3.952 5.942 1.00 0.00 H new ATOM 0 HA VAL A 49 5.595 -4.780 8.629 1.00 0.00 H new ATOM 0 HB VAL A 49 8.060 -5.698 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.965 -6.165 9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.678 -4.429 9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.520 -5.387 10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.721 -7.824 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.203 -7.194 9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.370 -7.396 7.269 1.00 0.00 H new ATOM 740 N LYS A 50 6.639 -2.281 8.547 1.00 0.00 N ATOM 741 CA LYS A 50 7.453 -1.091 8.415 1.00 0.00 C ATOM 742 C LYS A 50 7.057 0.010 9.365 1.00 0.00 C ATOM 743 O LYS A 50 6.069 0.697 9.133 1.00 0.00 O ATOM 744 CB LYS A 50 7.398 -0.604 6.970 1.00 0.00 C ATOM 745 CG LYS A 50 6.148 -1.036 6.234 1.00 0.00 C ATOM 746 CD LYS A 50 6.162 -0.591 4.791 1.00 0.00 C ATOM 747 CE LYS A 50 5.013 -1.206 4.008 1.00 0.00 C ATOM 748 NZ LYS A 50 4.990 -0.738 2.595 1.00 0.00 N ATOM 0 H LYS A 50 5.816 -2.225 9.147 1.00 0.00 H new ATOM 0 HA LYS A 50 8.475 -1.361 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.458 0.484 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.272 -0.977 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.057 -2.121 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.272 -0.622 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.096 0.496 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.109 -0.873 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.100 -2.292 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.069 -0.952 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.034 -0.859 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.254 0.267 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.666 -1.295 2.034 1.00 0.00 H new ATOM 758 N GLU A 51 7.830 0.212 10.412 1.00 0.00 N ATOM 759 CA GLU A 51 7.503 1.269 11.341 1.00 0.00 C ATOM 760 C GLU A 51 8.628 2.304 11.449 1.00 0.00 C ATOM 761 O GLU A 51 9.440 2.240 12.374 1.00 0.00 O ATOM 762 CB GLU A 51 7.326 0.621 12.725 1.00 0.00 C ATOM 763 CG GLU A 51 6.447 -0.623 12.736 1.00 0.00 C ATOM 764 CD GLU A 51 6.508 -1.366 14.058 1.00 0.00 C ATOM 765 OE1 GLU A 51 7.228 -0.905 14.968 1.00 0.00 O ATOM 766 OE2 GLU A 51 5.832 -2.410 14.183 1.00 0.00 O ATOM 0 H GLU A 51 8.667 -0.326 10.636 1.00 0.00 H new ATOM 0 HA GLU A 51 6.604 1.777 10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.309 0.359 13.117 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.898 1.358 13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.415 -0.337 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.758 -1.291 11.933 1.00 0.00 H new ATOM 771 N SER A 52 8.639 3.303 10.559 1.00 0.00 N ATOM 772 CA SER A 52 9.627 4.369 10.644 1.00 0.00 C ATOM 773 C SER A 52 9.272 5.534 9.733 1.00 0.00 C ATOM 774 O SER A 52 9.022 5.350 8.549 1.00 0.00 O ATOM 775 CB SER A 52 10.999 3.832 10.320 1.00 0.00 C ATOM 776 OG SER A 52 11.577 4.469 9.208 1.00 0.00 O ATOM 0 H SER A 52 7.982 3.390 9.784 1.00 0.00 H new ATOM 0 HA SER A 52 9.630 4.747 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.649 3.959 11.186 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.930 2.761 10.127 1.00 0.00 H new ATOM 0 HG SER A 52 12.548 4.337 9.224 1.00 0.00 H new ATOM 781 N SER A 53 9.251 6.730 10.311 1.00 0.00 N ATOM 782 CA SER A 53 8.952 7.951 9.581 1.00 0.00 C ATOM 783 C SER A 53 9.291 9.171 10.428 1.00 0.00 C ATOM 784 O SER A 53 8.534 9.527 11.333 1.00 0.00 O ATOM 785 CB SER A 53 7.491 8.016 9.147 1.00 0.00 C ATOM 786 OG SER A 53 7.217 7.071 8.127 1.00 0.00 O ATOM 0 H SER A 53 9.442 6.878 11.302 1.00 0.00 H new ATOM 0 HA SER A 53 9.568 7.947 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.845 7.827 10.005 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.260 9.019 8.789 1.00 0.00 H new ATOM 0 HG SER A 53 8.023 6.544 7.945 1.00 0.00 H new ATOM 791 N ASN A 54 10.419 9.810 10.122 1.00 0.00 N ATOM 792 CA ASN A 54 10.869 10.999 10.849 1.00 0.00 C ATOM 793 C ASN A 54 11.323 10.658 12.273 1.00 0.00 C ATOM 794 O ASN A 54 12.326 11.190 12.749 1.00 0.00 O ATOM 795 CB ASN A 54 9.764 12.059 10.888 1.00 0.00 C ATOM 796 CG ASN A 54 9.364 12.552 9.507 1.00 0.00 C ATOM 797 OD1 ASN A 54 10.030 12.048 8.471 1.00 0.00 O flip ATOM 798 ND2 ASN A 54 8.466 13.382 9.372 1.00 0.00 N flip ATOM 0 H ASN A 54 11.044 9.522 9.369 1.00 0.00 H new ATOM 0 HA ASN A 54 11.728 11.401 10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.888 11.645 11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.101 12.905 11.486 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.979 13.744 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.208 13.708 8.440 1.00 0.00 H new ATOM 804 N PHE A 55 10.584 9.778 12.950 1.00 0.00 N ATOM 805 CA PHE A 55 10.918 9.381 14.315 1.00 0.00 C ATOM 806 C PHE A 55 10.010 8.244 14.777 1.00 0.00 C ATOM 807 O PHE A 55 10.447 7.327 15.470 1.00 0.00 O ATOM 808 CB PHE A 55 10.787 10.575 15.266 1.00 0.00 C ATOM 809 CG PHE A 55 11.219 10.278 16.676 1.00 0.00 C ATOM 810 CD1 PHE A 55 12.446 9.688 16.933 1.00 0.00 C ATOM 811 CD2 PHE A 55 10.394 10.592 17.745 1.00 0.00 C ATOM 812 CE1 PHE A 55 12.843 9.416 18.229 1.00 0.00 C ATOM 813 CE2 PHE A 55 10.786 10.324 19.042 1.00 0.00 C ATOM 814 CZ PHE A 55 12.012 9.735 19.285 1.00 0.00 C ATOM 0 H PHE A 55 9.750 9.327 12.573 1.00 0.00 H new ATOM 0 HA PHE A 55 11.951 9.033 14.328 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.383 11.402 14.880 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.749 10.907 15.276 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.100 9.438 16.111 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.434 11.051 17.562 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.802 8.955 18.415 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.134 10.575 19.866 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.320 9.525 20.299 1.00 0.00 H new ATOM 823 N ARG A 56 8.740 8.316 14.380 1.00 0.00 N ATOM 824 CA ARG A 56 7.761 7.297 14.744 1.00 0.00 C ATOM 825 C ARG A 56 6.890 6.943 13.541 1.00 0.00 C ATOM 826 O ARG A 56 6.374 7.827 12.857 1.00 0.00 O ATOM 827 CB ARG A 56 6.881 7.791 15.896 1.00 0.00 C ATOM 828 CG ARG A 56 7.658 8.147 17.156 1.00 0.00 C ATOM 829 CD ARG A 56 8.345 6.931 17.756 1.00 0.00 C ATOM 830 NE ARG A 56 9.072 7.262 18.979 1.00 0.00 N ATOM 831 CZ ARG A 56 9.739 6.371 19.705 1.00 0.00 C ATOM 832 NH1 ARG A 56 9.774 5.098 19.333 1.00 0.00 N ATOM 833 NH2 ARG A 56 10.374 6.753 20.805 1.00 0.00 N ATOM 0 H ARG A 56 8.366 9.071 13.805 1.00 0.00 H new ATOM 0 HA ARG A 56 8.297 6.405 15.067 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.324 8.667 15.565 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.149 7.020 16.138 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.403 8.907 16.921 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.980 8.581 17.891 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.601 6.164 17.973 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.036 6.508 17.027 1.00 0.00 H new ATOM 0 HE ARG A 56 9.067 8.232 19.294 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.288 4.800 18.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.287 4.417 19.893 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.350 7.731 21.094 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.886 6.069 21.362 1.00 0.00 H new ATOM 844 N ASN A 57 6.729 5.647 13.287 1.00 0.00 N ATOM 845 CA ASN A 57 5.931 5.174 12.183 1.00 0.00 C ATOM 846 C ASN A 57 5.680 3.711 12.346 1.00 0.00 C ATOM 847 O ASN A 57 6.285 3.066 13.193 1.00 0.00 O ATOM 848 CB ASN A 57 6.591 5.405 10.837 1.00 0.00 C ATOM 849 CG ASN A 57 5.565 5.457 9.732 1.00 0.00 C ATOM 850 OD1 ASN A 57 5.016 6.641 9.523 1.00 0.00 O flip ATOM 851 ND2 ASN A 57 5.242 4.447 9.107 1.00 0.00 N flip ATOM 0 H ASN A 57 7.151 4.905 13.845 1.00 0.00 H new ATOM 0 HA ASN A 57 5.000 5.741 12.197 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.154 6.338 10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.306 4.607 10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.697 3.556 9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.519 4.501 8.389 1.00 0.00 H new ATOM 857 N ILE A 58 4.786 3.200 11.531 1.00 0.00 N ATOM 858 CA ILE A 58 4.444 1.828 11.537 1.00 0.00 C ATOM 859 C ILE A 58 3.545 1.534 10.399 1.00 0.00 C ATOM 860 O ILE A 58 2.614 2.285 10.108 1.00 0.00 O ATOM 861 CB ILE A 58 3.833 1.389 12.837 1.00 0.00 C ATOM 862 CG1 ILE A 58 3.173 0.008 12.654 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.872 2.452 13.357 1.00 0.00 C ATOM 864 CD1 ILE A 58 2.502 -0.512 13.900 1.00 0.00 C ATOM 0 H ILE A 58 4.277 3.750 10.839 1.00 0.00 H new ATOM 0 HA ILE A 58 5.365 1.256 11.427 1.00 0.00 H new ATOM 0 HB ILE A 58 4.605 1.278 13.599 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.436 0.071 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.930 -0.708 12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.437 2.120 14.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.413 3.385 13.516 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.078 2.613 12.628 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.060 -1.487 13.695 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.239 -0.608 14.697 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.721 0.182 14.209 1.00 0.00 H new ATOM 875 N ASP A 59 3.807 0.437 9.764 1.00 0.00 N ATOM 876 CA ASP A 59 3.002 0.054 8.678 1.00 0.00 C ATOM 877 C ASP A 59 3.142 -1.431 8.471 1.00 0.00 C ATOM 878 O ASP A 59 4.049 -1.905 7.795 1.00 0.00 O ATOM 879 CB ASP A 59 3.453 0.824 7.445 1.00 0.00 C ATOM 880 CG ASP A 59 2.432 0.787 6.324 1.00 0.00 C ATOM 881 OD1 ASP A 59 1.285 1.226 6.554 1.00 0.00 O ATOM 882 OD2 ASP A 59 2.777 0.326 5.219 1.00 0.00 O ATOM 0 H ASP A 59 4.572 -0.199 9.987 1.00 0.00 H new ATOM 0 HA ASP A 59 1.953 0.280 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.647 1.861 7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.395 0.408 7.087 1.00 0.00 H new ATOM 886 N VAL A 60 2.234 -2.157 9.066 1.00 0.00 N ATOM 887 CA VAL A 60 2.247 -3.604 8.955 1.00 0.00 C ATOM 888 C VAL A 60 0.851 -4.161 8.660 1.00 0.00 C ATOM 889 O VAL A 60 0.006 -4.288 9.545 1.00 0.00 O ATOM 890 CB VAL A 60 2.818 -4.258 10.234 1.00 0.00 C ATOM 891 CG1 VAL A 60 4.272 -3.856 10.431 1.00 0.00 C ATOM 892 CG2 VAL A 60 2.000 -3.877 11.461 1.00 0.00 C ATOM 0 H VAL A 60 1.475 -1.779 9.633 1.00 0.00 H new ATOM 0 HA VAL A 60 2.897 -3.852 8.116 1.00 0.00 H new ATOM 0 HB VAL A 60 2.761 -5.339 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.660 -4.324 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.859 -4.183 9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.340 -2.772 10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.426 -4.352 12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.017 -2.795 11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.971 -4.211 11.330 1.00 0.00 H new ATOM 902 N VAL A 61 0.644 -4.531 7.403 1.00 0.00 N ATOM 903 CA VAL A 61 -0.614 -5.124 6.958 1.00 0.00 C ATOM 904 C VAL A 61 -0.357 -6.162 5.860 1.00 0.00 C ATOM 905 O VAL A 61 -0.129 -5.832 4.695 1.00 0.00 O ATOM 906 CB VAL A 61 -1.607 -4.058 6.452 1.00 0.00 C ATOM 907 CG1 VAL A 61 -2.136 -3.228 7.612 1.00 0.00 C ATOM 908 CG2 VAL A 61 -0.949 -3.163 5.414 1.00 0.00 C ATOM 0 H VAL A 61 1.340 -4.430 6.664 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.064 -5.614 7.821 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.447 -4.569 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.835 -2.481 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.647 -3.879 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.305 -2.729 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.666 -2.418 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.089 -2.661 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.619 -3.767 4.569 1.00 0.00 H new ATOM 918 N PHE A 62 -0.372 -7.425 6.274 1.00 0.00 N ATOM 919 CA PHE A 62 -0.110 -8.556 5.418 1.00 0.00 C ATOM 920 C PHE A 62 -1.422 -9.182 4.958 1.00 0.00 C ATOM 921 O PHE A 62 -2.205 -9.685 5.764 1.00 0.00 O ATOM 922 CB PHE A 62 0.730 -9.598 6.216 1.00 0.00 C ATOM 923 CG PHE A 62 2.083 -9.903 5.613 1.00 0.00 C ATOM 924 CD1 PHE A 62 2.807 -8.909 5.051 1.00 0.00 C ATOM 925 CD2 PHE A 62 2.610 -11.187 5.567 1.00 0.00 C ATOM 926 CE1 PHE A 62 4.011 -9.146 4.465 1.00 0.00 C ATOM 927 CE2 PHE A 62 3.834 -11.434 4.948 1.00 0.00 C ATOM 928 CZ PHE A 62 4.536 -10.388 4.396 1.00 0.00 C ATOM 0 H PHE A 62 -0.573 -7.687 7.239 1.00 0.00 H new ATOM 0 HA PHE A 62 0.442 -8.232 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.873 -9.230 7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.161 -10.525 6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.419 -7.901 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.065 -12.004 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.562 -8.318 4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.228 -12.439 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.489 -10.557 3.917 1.00 0.00 H new ATOM 937 N GLU A 63 -1.642 -9.150 3.643 1.00 0.00 N ATOM 938 CA GLU A 63 -2.835 -9.709 3.043 1.00 0.00 C ATOM 939 C GLU A 63 -2.643 -9.932 1.569 1.00 0.00 C ATOM 940 O GLU A 63 -2.366 -8.991 0.824 1.00 0.00 O ATOM 941 CB GLU A 63 -4.025 -8.772 3.244 1.00 0.00 C ATOM 942 CG GLU A 63 -5.204 -9.424 3.949 1.00 0.00 C ATOM 943 CD GLU A 63 -5.690 -10.676 3.245 1.00 0.00 C ATOM 944 OE1 GLU A 63 -6.102 -10.575 2.070 1.00 0.00 O ATOM 945 OE2 GLU A 63 -5.659 -11.758 3.868 1.00 0.00 O ATOM 0 H GLU A 63 -0.995 -8.735 2.973 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.029 -10.664 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.701 -7.906 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.353 -8.402 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.917 -9.675 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.023 -8.708 4.015 1.00 0.00 H new ATOM 950 N LEU A 64 -2.869 -11.174 1.145 1.00 0.00 N ATOM 951 CA LEU A 64 -2.817 -11.515 -0.260 1.00 0.00 C ATOM 952 C LEU A 64 -3.651 -10.466 -0.981 1.00 0.00 C ATOM 953 O LEU A 64 -3.514 -10.226 -2.178 1.00 0.00 O ATOM 954 CB LEU A 64 -3.390 -12.914 -0.463 1.00 0.00 C ATOM 955 CG LEU A 64 -3.436 -13.425 -1.908 1.00 0.00 C ATOM 956 CD1 LEU A 64 -3.431 -14.946 -1.928 1.00 0.00 C ATOM 957 CD2 LEU A 64 -4.669 -12.898 -2.629 1.00 0.00 C ATOM 0 H LEU A 64 -3.090 -11.956 1.762 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.798 -11.523 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.801 -13.614 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.403 -12.931 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.550 -13.059 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.464 -15.296 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.523 -15.313 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.302 -15.320 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.680 -13.273 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.566 -13.234 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.645 -11.808 -2.643 1.00 0.00 H new ATOM 968 N GLY A 65 -4.484 -9.809 -0.171 1.00 0.00 N ATOM 969 CA GLY A 65 -5.328 -8.725 -0.627 1.00 0.00 C ATOM 970 C GLY A 65 -5.678 -7.807 0.540 1.00 0.00 C ATOM 971 O GLY A 65 -6.581 -8.097 1.324 1.00 0.00 O ATOM 0 H GLY A 65 -4.586 -10.022 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.817 -8.158 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.239 -9.125 -1.071 1.00 0.00 H new ATOM 975 N VAL A 66 -4.906 -6.733 0.678 1.00 0.00 N ATOM 976 CA VAL A 66 -5.046 -5.778 1.780 1.00 0.00 C ATOM 977 C VAL A 66 -5.811 -4.516 1.402 1.00 0.00 C ATOM 978 O VAL A 66 -6.209 -4.351 0.265 1.00 0.00 O ATOM 979 CB VAL A 66 -3.665 -5.381 2.371 1.00 0.00 C ATOM 980 CG1 VAL A 66 -3.332 -3.925 2.084 1.00 0.00 C ATOM 981 CG2 VAL A 66 -3.625 -5.637 3.869 1.00 0.00 C ATOM 0 H VAL A 66 -4.159 -6.497 0.025 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.632 -6.303 2.534 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.914 -6.004 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.359 -3.683 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.304 -3.764 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.093 -3.283 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.649 -5.352 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.399 -5.047 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.798 -6.696 4.062 1.00 0.00 H new ATOM 991 N ASP A 67 -6.012 -3.636 2.396 1.00 0.00 N ATOM 992 CA ASP A 67 -6.685 -2.351 2.199 1.00 0.00 C ATOM 993 C ASP A 67 -5.963 -1.278 3.004 1.00 0.00 C ATOM 994 O ASP A 67 -5.604 -1.481 4.165 1.00 0.00 O ATOM 995 CB ASP A 67 -8.169 -2.317 2.578 1.00 0.00 C ATOM 996 CG ASP A 67 -8.929 -3.610 2.320 1.00 0.00 C ATOM 997 OD1 ASP A 67 -8.357 -4.545 1.732 1.00 0.00 O ATOM 998 OD2 ASP A 67 -10.116 -3.676 2.704 1.00 0.00 O ATOM 0 H ASP A 67 -5.711 -3.799 3.357 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.644 -2.172 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.253 -2.069 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.652 -1.513 2.023 1.00 0.00 H new ATOM 1002 N PHE A 68 -5.775 -0.134 2.373 1.00 0.00 N ATOM 1003 CA PHE A 68 -5.124 1.010 2.979 1.00 0.00 C ATOM 1004 C PHE A 68 -6.095 2.137 3.048 1.00 0.00 C ATOM 1005 O PHE A 68 -6.864 2.350 2.114 1.00 0.00 O ATOM 1006 CB PHE A 68 -3.958 1.510 2.130 1.00 0.00 C ATOM 1007 CG PHE A 68 -2.667 0.749 2.286 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -2.658 -0.616 2.521 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -1.452 1.414 2.197 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -1.466 -1.301 2.663 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -0.259 0.733 2.339 1.00 0.00 C ATOM 1012 CZ PHE A 68 -0.266 -0.627 2.572 1.00 0.00 C ATOM 0 H PHE A 68 -6.075 0.028 1.412 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.767 0.698 3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.254 1.477 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.775 2.556 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.593 -1.151 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.439 2.478 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.474 -2.365 2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.679 1.264 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.665 -1.162 2.683 1.00 0.00 H new ATOM 1021 N ALA A 69 -6.032 2.907 4.097 1.00 0.00 N ATOM 1022 CA ALA A 69 -6.894 4.043 4.149 1.00 0.00 C ATOM 1023 C ALA A 69 -6.485 5.040 5.221 1.00 0.00 C ATOM 1024 O ALA A 69 -6.852 4.941 6.392 1.00 0.00 O ATOM 1025 CB ALA A 69 -8.334 3.591 4.324 1.00 0.00 C ATOM 0 H ALA A 69 -5.415 2.774 4.899 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.804 4.572 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.987 4.463 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.622 2.959 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.428 3.026 5.251 1.00 0.00 H new ATOM 1031 N TYR A 70 -5.753 6.026 4.743 1.00 0.00 N ATOM 1032 CA TYR A 70 -5.255 7.158 5.514 1.00 0.00 C ATOM 1033 C TYR A 70 -4.731 8.135 4.502 1.00 0.00 C ATOM 1034 O TYR A 70 -4.437 7.746 3.392 1.00 0.00 O ATOM 1035 CB TYR A 70 -4.146 6.791 6.520 1.00 0.00 C ATOM 1036 CG TYR A 70 -3.872 5.310 6.688 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -3.318 4.569 5.657 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -4.151 4.660 7.885 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -3.051 3.223 5.804 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -3.885 3.311 8.042 1.00 0.00 C ATOM 1041 CZ TYR A 70 -3.336 2.598 6.997 1.00 0.00 C ATOM 1042 OH TYR A 70 -3.067 1.257 7.145 1.00 0.00 O ATOM 0 H TYR A 70 -5.474 6.066 3.763 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.062 7.562 6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.223 7.279 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.412 7.205 7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.090 5.054 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.582 5.216 8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.621 2.663 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.106 2.819 8.978 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.325 0.969 8.045 1.00 0.00 H new ATOM 1051 N SER A 71 -4.612 9.389 4.828 1.00 0.00 N ATOM 1052 CA SER A 71 -4.142 10.300 3.830 1.00 0.00 C ATOM 1053 C SER A 71 -2.661 10.539 4.012 1.00 0.00 C ATOM 1054 O SER A 71 -2.211 11.265 4.899 1.00 0.00 O ATOM 1055 CB SER A 71 -4.959 11.580 3.867 1.00 0.00 C ATOM 1056 OG SER A 71 -4.492 12.528 2.928 1.00 0.00 O ATOM 0 H SER A 71 -4.825 9.792 5.741 1.00 0.00 H new ATOM 0 HA SER A 71 -4.276 9.871 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.005 11.350 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.917 12.009 4.868 1.00 0.00 H new ATOM 0 HG SER A 71 -4.584 13.430 3.300 1.00 0.00 H new ATOM 1061 N LEU A 72 -1.930 9.855 3.144 1.00 0.00 N ATOM 1062 CA LEU A 72 -0.472 9.873 3.116 1.00 0.00 C ATOM 1063 C LEU A 72 0.051 11.295 3.290 1.00 0.00 C ATOM 1064 O LEU A 72 1.102 11.513 3.894 1.00 0.00 O ATOM 1065 CB LEU A 72 0.018 9.243 1.800 1.00 0.00 C ATOM 1066 CG LEU A 72 1.334 8.446 1.880 1.00 0.00 C ATOM 1067 CD1 LEU A 72 1.435 7.693 3.201 1.00 0.00 C ATOM 1068 CD2 LEU A 72 1.426 7.458 0.719 1.00 0.00 C ATOM 0 H LEU A 72 -2.340 9.260 2.425 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.082 9.285 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.762 8.581 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.142 10.038 1.064 1.00 0.00 H new ATOM 0 HG LEU A 72 2.160 9.154 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.373 7.138 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.405 8.403 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.600 6.998 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.361 6.902 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.587 6.764 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.396 8.002 -0.225 1.00 0.00 H new ATOM 1079 N ALA A 73 -0.708 12.261 2.780 1.00 0.00 N ATOM 1080 CA ALA A 73 -0.344 13.666 2.903 1.00 0.00 C ATOM 1081 C ALA A 73 -0.802 14.222 4.250 1.00 0.00 C ATOM 1082 O ALA A 73 -0.015 14.817 4.986 1.00 0.00 O ATOM 1083 CB ALA A 73 -0.956 14.469 1.766 1.00 0.00 C ATOM 0 H ALA A 73 -1.580 12.094 2.277 1.00 0.00 H new ATOM 0 HA ALA A 73 0.741 13.749 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.676 15.517 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.589 14.088 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.042 14.378 1.799 1.00 0.00 H new ATOM 1089 N ASP A 74 -2.085 14.014 4.562 1.00 0.00 N ATOM 1090 CA ASP A 74 -2.669 14.481 5.821 1.00 0.00 C ATOM 1091 C ASP A 74 -4.155 14.127 5.888 1.00 0.00 C ATOM 1092 O ASP A 74 -4.894 14.337 4.926 1.00 0.00 O ATOM 1093 CB ASP A 74 -2.488 15.996 5.971 1.00 0.00 C ATOM 1094 CG ASP A 74 -3.015 16.517 7.294 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -4.233 16.392 7.543 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -2.209 17.052 8.084 1.00 0.00 O ATOM 0 H ASP A 74 -2.741 13.522 3.955 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.150 13.982 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.430 16.242 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.002 16.502 5.154 1.00 0.00 H new ATOM 1100 N GLY A 75 -4.588 13.593 7.029 1.00 0.00 N ATOM 1101 CA GLY A 75 -5.986 13.221 7.196 1.00 0.00 C ATOM 1102 C GLY A 75 -6.262 11.798 6.752 1.00 0.00 C ATOM 1103 O GLY A 75 -5.576 10.867 7.174 1.00 0.00 O ATOM 0 H GLY A 75 -3.997 13.411 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.266 13.333 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.612 13.905 6.624 1.00 0.00 H new ATOM 1107 N THR A 76 -7.268 11.623 5.895 1.00 0.00 N ATOM 1108 CA THR A 76 -7.622 10.297 5.396 1.00 0.00 C ATOM 1109 C THR A 76 -7.861 10.305 3.900 1.00 0.00 C ATOM 1110 O THR A 76 -8.777 10.954 3.394 1.00 0.00 O ATOM 1111 CB THR A 76 -8.865 9.736 6.102 1.00 0.00 C ATOM 1112 OG1 THR A 76 -9.864 10.757 6.223 1.00 0.00 O ATOM 1113 CG2 THR A 76 -8.513 9.185 7.476 1.00 0.00 C ATOM 0 H THR A 76 -7.849 12.380 5.534 1.00 0.00 H new ATOM 0 HA THR A 76 -6.770 9.653 5.615 1.00 0.00 H new ATOM 0 HB THR A 76 -9.258 8.918 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.969 11.215 5.363 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.412 8.795 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.781 8.384 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.093 9.981 8.091 1.00 0.00 H new ATOM 1121 N GLU A 77 -6.997 9.578 3.207 1.00 0.00 N ATOM 1122 CA GLU A 77 -7.037 9.470 1.770 1.00 0.00 C ATOM 1123 C GLU A 77 -6.081 8.379 1.323 1.00 0.00 C ATOM 1124 O GLU A 77 -4.887 8.632 1.147 1.00 0.00 O ATOM 1125 CB GLU A 77 -6.625 10.828 1.250 1.00 0.00 C ATOM 1126 CG GLU A 77 -6.252 10.863 -0.197 1.00 0.00 C ATOM 1127 CD GLU A 77 -5.910 12.260 -0.684 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -5.847 13.183 0.157 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -5.704 12.431 -1.902 1.00 0.00 O ATOM 0 H GLU A 77 -6.243 9.044 3.639 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.023 9.200 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.444 11.528 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.778 11.184 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.398 10.206 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.077 10.469 -0.790 1.00 0.00 H new ATOM 1134 N LEU A 78 -6.597 7.163 1.138 1.00 0.00 N ATOM 1135 CA LEU A 78 -5.746 6.065 0.722 1.00 0.00 C ATOM 1136 C LEU A 78 -6.485 4.780 0.398 1.00 0.00 C ATOM 1137 O LEU A 78 -7.680 4.626 0.645 1.00 0.00 O ATOM 1138 CB LEU A 78 -4.624 5.832 1.732 1.00 0.00 C ATOM 1139 CG LEU A 78 -3.659 4.698 1.443 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -2.960 4.899 0.102 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -2.625 4.586 2.547 1.00 0.00 C ATOM 0 H LEU A 78 -7.580 6.923 1.268 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.308 6.378 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.048 6.753 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.078 5.650 2.706 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.236 3.775 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.274 4.071 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.704 4.935 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.402 5.835 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.941 3.767 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.065 5.518 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.125 4.392 3.496 1.00 0.00 H new ATOM 1152 N THR A 79 -5.718 3.878 -0.186 1.00 0.00 N ATOM 1153 CA THR A 79 -6.171 2.595 -0.632 1.00 0.00 C ATOM 1154 C THR A 79 -5.143 1.589 -0.485 1.00 0.00 C ATOM 1155 O THR A 79 -3.947 1.865 -0.626 1.00 0.00 O ATOM 1156 CB THR A 79 -6.378 2.565 -2.111 1.00 0.00 C ATOM 1157 OG1 THR A 79 -5.260 1.925 -2.745 1.00 0.00 O ATOM 1158 CG2 THR A 79 -6.519 3.953 -2.634 1.00 0.00 C ATOM 0 H THR A 79 -4.726 4.035 -0.365 1.00 0.00 H new ATOM 0 HA THR A 79 -7.072 2.412 -0.047 1.00 0.00 H new ATOM 0 HB THR A 79 -7.288 2.006 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.466 1.768 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.670 3.922 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.375 4.434 -2.162 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.615 4.520 -2.410 1.00 0.00 H new ATOM 1166 N GLY A 80 -5.591 0.405 -0.291 1.00 0.00 N ATOM 1167 CA GLY A 80 -4.667 -0.607 -0.221 1.00 0.00 C ATOM 1168 C GLY A 80 -5.141 -1.956 -0.607 1.00 0.00 C ATOM 1169 O GLY A 80 -6.289 -2.316 -0.426 1.00 0.00 O ATOM 0 H GLY A 80 -6.570 0.139 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.824 -0.345 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.290 -0.656 0.801 1.00 0.00 H new ATOM 1173 N THR A 81 -4.187 -2.688 -1.091 1.00 0.00 N ATOM 1174 CA THR A 81 -4.311 -4.063 -1.452 1.00 0.00 C ATOM 1175 C THR A 81 -2.980 -4.510 -1.906 1.00 0.00 C ATOM 1176 O THR A 81 -2.237 -3.744 -2.513 1.00 0.00 O ATOM 1177 CB THR A 81 -5.323 -4.422 -2.519 1.00 0.00 C ATOM 1178 OG1 THR A 81 -6.461 -3.597 -2.427 1.00 0.00 O ATOM 1179 CG2 THR A 81 -5.763 -5.862 -2.365 1.00 0.00 C ATOM 0 H THR A 81 -3.249 -2.320 -1.253 1.00 0.00 H new ATOM 0 HA THR A 81 -4.688 -4.561 -0.559 1.00 0.00 H new ATOM 0 HB THR A 81 -4.845 -4.279 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.721 -3.501 -1.487 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.491 -6.105 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.898 -6.519 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.217 -6.001 -1.384 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.674 -5.720 -1.633 1.00 0.00 N ATOM 1188 CA TRP A 82 -1.415 -6.251 -2.051 1.00 0.00 C ATOM 1189 C TRP A 82 -1.571 -7.695 -2.460 1.00 0.00 C ATOM 1190 O TRP A 82 -1.674 -8.586 -1.622 1.00 0.00 O ATOM 1191 CB TRP A 82 -0.378 -6.041 -0.947 1.00 0.00 C ATOM 1192 CG TRP A 82 -0.212 -4.583 -0.737 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -0.980 -3.774 0.031 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.698 -3.748 -1.419 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -0.622 -2.470 -0.148 1.00 0.00 N ATOM 1196 CE2 TRP A 82 0.435 -2.422 -1.028 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.714 -4.007 -2.320 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 1.164 -1.344 -1.535 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.434 -2.958 -2.818 1.00 0.00 C ATOM 1200 CH2 TRP A 82 2.165 -1.640 -2.433 1.00 0.00 C ATOM 0 H TRP A 82 -3.271 -6.370 -1.122 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.052 -5.720 -2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.702 -6.523 -0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.572 -6.495 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -1.764 -4.113 0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.064 -1.665 0.296 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.934 -5.019 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.953 -0.328 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.228 -3.150 -3.524 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.755 -0.837 -2.849 1.00 0.00 H new ATOM 1210 N THR A 83 -1.608 -7.906 -3.770 1.00 0.00 N ATOM 1211 CA THR A 83 -1.780 -9.236 -4.312 1.00 0.00 C ATOM 1212 C THR A 83 -0.680 -9.571 -5.292 1.00 0.00 C ATOM 1213 O THR A 83 -0.706 -9.158 -6.442 1.00 0.00 O ATOM 1214 CB THR A 83 -3.131 -9.348 -5.035 1.00 0.00 C ATOM 1215 OG1 THR A 83 -4.131 -8.618 -4.313 1.00 0.00 O ATOM 1216 CG2 THR A 83 -3.551 -10.801 -5.178 1.00 0.00 C ATOM 0 H THR A 83 -1.521 -7.170 -4.471 1.00 0.00 H new ATOM 0 HA THR A 83 -1.744 -9.936 -3.478 1.00 0.00 H new ATOM 0 HB THR A 83 -3.023 -8.924 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.193 -8.965 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.510 -10.853 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.800 -11.342 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.644 -11.252 -4.190 1.00 0.00 H new ATOM 1224 N MET A 84 0.286 -10.322 -4.825 1.00 0.00 N ATOM 1225 CA MET A 84 1.411 -10.693 -5.641 1.00 0.00 C ATOM 1226 C MET A 84 2.189 -11.844 -5.060 1.00 0.00 C ATOM 1227 O MET A 84 1.962 -12.295 -3.936 1.00 0.00 O ATOM 1228 CB MET A 84 2.380 -9.538 -5.860 1.00 0.00 C ATOM 1229 CG MET A 84 2.800 -8.809 -4.611 1.00 0.00 C ATOM 1230 SD MET A 84 1.469 -8.046 -3.664 1.00 0.00 S ATOM 1231 CE MET A 84 1.209 -9.300 -2.414 1.00 0.00 C ATOM 0 H MET A 84 0.314 -10.691 -3.874 1.00 0.00 H new ATOM 0 HA MET A 84 0.974 -10.990 -6.595 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.272 -9.922 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.920 -8.823 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.326 -9.510 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.514 -8.034 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.228 -9.754 -2.552 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.979 -10.066 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.262 -8.844 -1.425 1.00 0.00 H new ATOM 1239 N GLU A 85 3.127 -12.275 -5.861 1.00 0.00 N ATOM 1240 CA GLU A 85 4.031 -13.344 -5.538 1.00 0.00 C ATOM 1241 C GLU A 85 5.315 -12.711 -5.053 1.00 0.00 C ATOM 1242 O GLU A 85 5.430 -11.485 -5.049 1.00 0.00 O ATOM 1243 CB GLU A 85 4.306 -14.197 -6.770 1.00 0.00 C ATOM 1244 CG GLU A 85 3.055 -14.818 -7.372 1.00 0.00 C ATOM 1245 CD GLU A 85 3.355 -15.681 -8.582 1.00 0.00 C ATOM 1246 OE1 GLU A 85 3.900 -15.148 -9.571 1.00 0.00 O ATOM 1247 OE2 GLU A 85 3.042 -16.890 -8.542 1.00 0.00 O ATOM 0 H GLU A 85 3.287 -11.878 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 85 3.601 -13.991 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.796 -13.582 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.004 -14.991 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.554 -15.422 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.363 -14.026 -7.658 1.00 0.00 H new ATOM 1252 N GLY A 86 6.275 -13.505 -4.628 1.00 0.00 N ATOM 1253 CA GLY A 86 7.489 -12.902 -4.149 1.00 0.00 C ATOM 1254 C GLY A 86 8.432 -12.728 -5.300 1.00 0.00 C ATOM 1255 O GLY A 86 9.088 -13.659 -5.769 1.00 0.00 O ATOM 0 H GLY A 86 6.240 -14.524 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.275 -11.938 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.943 -13.528 -3.381 1.00 0.00 H new ATOM 1259 N ASN A 87 8.418 -11.485 -5.759 1.00 0.00 N ATOM 1260 CA ASN A 87 9.173 -11.010 -6.899 1.00 0.00 C ATOM 1261 C ASN A 87 8.546 -9.700 -7.337 1.00 0.00 C ATOM 1262 O ASN A 87 9.120 -8.944 -8.122 1.00 0.00 O ATOM 1263 CB ASN A 87 9.125 -12.014 -8.058 1.00 0.00 C ATOM 1264 CG ASN A 87 9.960 -11.568 -9.243 1.00 0.00 C ATOM 1265 OD1 ASN A 87 11.170 -11.368 -9.125 1.00 0.00 O ATOM 1266 ND2 ASN A 87 9.318 -11.411 -10.395 1.00 0.00 N ATOM 0 H ASN A 87 7.855 -10.753 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 87 10.219 -10.881 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.481 -12.984 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.091 -12.149 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.828 -11.114 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.315 -11.588 -10.448 1.00 0.00 H new ATOM 1272 N LYS A 88 7.338 -9.447 -6.818 1.00 0.00 N ATOM 1273 CA LYS A 88 6.602 -8.241 -7.148 1.00 0.00 C ATOM 1274 C LYS A 88 5.519 -7.933 -6.128 1.00 0.00 C ATOM 1275 O LYS A 88 5.172 -8.770 -5.311 1.00 0.00 O ATOM 1276 CB LYS A 88 5.875 -8.355 -8.476 1.00 0.00 C ATOM 1277 CG LYS A 88 4.458 -8.932 -8.311 1.00 0.00 C ATOM 1278 CD LYS A 88 4.454 -10.447 -8.174 1.00 0.00 C ATOM 1279 CE LYS A 88 5.005 -11.118 -9.425 1.00 0.00 C ATOM 1280 NZ LYS A 88 4.885 -12.598 -9.373 1.00 0.00 N ATOM 0 H LYS A 88 6.857 -10.068 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 88 7.362 -7.460 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.814 -7.371 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.449 -8.991 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.990 -8.490 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.852 -8.647 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.052 -10.738 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.437 -10.795 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.473 -10.743 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.053 -10.845 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.895 -12.981 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.684 -12.992 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.992 -12.858 -8.907 1.00 0.00 H new ATOM 1290 N LEU A 89 4.995 -6.710 -6.265 1.00 0.00 N ATOM 1291 CA LEU A 89 3.900 -6.161 -5.492 1.00 0.00 C ATOM 1292 C LEU A 89 2.804 -5.767 -6.448 1.00 0.00 C ATOM 1293 O LEU A 89 3.062 -5.083 -7.435 1.00 0.00 O ATOM 1294 CB LEU A 89 4.258 -4.871 -4.783 1.00 0.00 C ATOM 1295 CG LEU A 89 5.300 -4.938 -3.680 1.00 0.00 C ATOM 1296 CD1 LEU A 89 5.470 -3.581 -3.018 1.00 0.00 C ATOM 1297 CD2 LEU A 89 4.895 -5.980 -2.665 1.00 0.00 C ATOM 0 H LEU A 89 5.349 -6.050 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 89 3.625 -6.924 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.609 -4.162 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.344 -4.458 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 89 6.259 -5.219 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.221 -3.652 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.791 -2.851 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.520 -3.265 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.643 -6.027 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.929 -5.714 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.820 -6.952 -3.152 1.00 0.00 H new ATOM 1308 N VAL A 90 1.586 -6.117 -6.139 1.00 0.00 N ATOM 1309 CA VAL A 90 0.493 -5.689 -6.974 1.00 0.00 C ATOM 1310 C VAL A 90 -0.826 -5.898 -6.273 1.00 0.00 C ATOM 1311 O VAL A 90 -1.337 -7.001 -6.171 1.00 0.00 O ATOM 1312 CB VAL A 90 0.486 -6.362 -8.356 1.00 0.00 C ATOM 1313 CG1 VAL A 90 0.772 -7.849 -8.256 1.00 0.00 C ATOM 1314 CG2 VAL A 90 -0.838 -6.112 -9.049 1.00 0.00 C ATOM 0 H VAL A 90 1.326 -6.685 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 90 0.640 -4.624 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 90 1.285 -5.920 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.759 -8.290 -9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.752 -8.001 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.011 -8.325 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.833 -6.593 -10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.648 -6.524 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.987 -5.039 -9.173 1.00 0.00 H new ATOM 1324 N GLY A 91 -1.352 -4.811 -5.781 1.00 0.00 N ATOM 1325 CA GLY A 91 -2.591 -4.837 -5.050 1.00 0.00 C ATOM 1326 C GLY A 91 -3.130 -3.463 -4.898 1.00 0.00 C ATOM 1327 O GLY A 91 -2.356 -2.510 -4.872 1.00 0.00 O ATOM 0 H GLY A 91 -0.937 -3.884 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.315 -5.463 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.432 -5.283 -4.068 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.445 -3.313 -4.837 1.00 0.00 N ATOM 1332 CA LYS A 92 -4.954 -1.988 -4.756 1.00 0.00 C ATOM 1333 C LYS A 92 -6.378 -1.835 -4.297 1.00 0.00 C ATOM 1334 O LYS A 92 -7.228 -2.716 -4.426 1.00 0.00 O ATOM 1335 CB LYS A 92 -4.796 -1.390 -6.103 1.00 0.00 C ATOM 1336 CG LYS A 92 -5.664 -0.158 -6.336 1.00 0.00 C ATOM 1337 CD LYS A 92 -6.780 -0.395 -7.355 1.00 0.00 C ATOM 1338 CE LYS A 92 -7.079 -1.855 -7.627 1.00 0.00 C ATOM 1339 NZ LYS A 92 -6.046 -2.464 -8.507 1.00 0.00 N ATOM 0 H LYS A 92 -5.136 -4.064 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.384 -1.484 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.750 -1.119 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.039 -2.141 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.105 0.153 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.035 0.663 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.689 0.089 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.508 0.088 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.124 -2.401 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.059 -1.946 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.475 -2.723 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.279 -1.780 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.660 -3.316 -8.052 1.00 0.00 H new ATOM 1349 N PHE A 93 -6.589 -0.647 -3.782 1.00 0.00 N ATOM 1350 CA PHE A 93 -7.835 -0.197 -3.264 1.00 0.00 C ATOM 1351 C PHE A 93 -8.086 1.173 -3.720 1.00 0.00 C ATOM 1352 O PHE A 93 -7.249 1.778 -4.386 1.00 0.00 O ATOM 1353 CB PHE A 93 -7.850 -0.205 -1.766 1.00 0.00 C ATOM 1354 CG PHE A 93 -8.853 -1.166 -1.222 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -8.903 -2.450 -1.719 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -9.749 -0.788 -0.240 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -9.828 -3.356 -1.245 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -10.683 -1.685 0.240 1.00 0.00 C ATOM 1359 CZ PHE A 93 -10.722 -2.974 -0.263 1.00 0.00 C ATOM 0 H PHE A 93 -5.854 0.057 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.606 -0.878 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.859 -0.467 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -8.073 0.797 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.209 -2.751 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -9.719 0.217 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -9.854 -4.361 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -11.381 -1.381 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.449 -3.679 0.111 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.216 1.677 -3.325 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.560 2.999 -3.632 1.00 0.00 C ATOM 1370 C LYS A 94 -9.287 3.849 -2.414 1.00 0.00 C ATOM 1371 O LYS A 94 -9.184 3.342 -1.301 1.00 0.00 O ATOM 1372 CB LYS A 94 -10.985 3.101 -4.025 1.00 0.00 C ATOM 1373 CG LYS A 94 -11.873 3.271 -2.821 1.00 0.00 C ATOM 1374 CD LYS A 94 -11.947 1.991 -1.989 1.00 0.00 C ATOM 1375 CE LYS A 94 -12.220 2.274 -0.518 1.00 0.00 C ATOM 1376 NZ LYS A 94 -11.007 2.777 0.197 1.00 0.00 N ATOM 0 H LYS A 94 -9.914 1.169 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.965 3.346 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.119 3.946 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.279 2.205 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.496 4.086 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.875 3.553 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.733 1.348 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.009 1.444 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.020 3.010 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.573 1.363 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.607 2.015 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.299 3.088 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.270 3.578 0.806 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.055 5.113 -2.641 1.00 0.00 N ATOM 1387 CA ARG A 95 -8.665 6.002 -1.560 1.00 0.00 C ATOM 1388 C ARG A 95 -9.731 6.330 -0.547 1.00 0.00 C ATOM 1389 O ARG A 95 -10.848 5.811 -0.565 1.00 0.00 O ATOM 1390 CB ARG A 95 -8.142 7.294 -2.092 1.00 0.00 C ATOM 1391 CG ARG A 95 -9.193 8.307 -2.452 1.00 0.00 C ATOM 1392 CD ARG A 95 -8.579 9.694 -2.436 1.00 0.00 C ATOM 1393 NE ARG A 95 -7.361 9.812 -3.264 1.00 0.00 N ATOM 1394 CZ ARG A 95 -6.158 9.303 -2.968 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.923 8.723 -1.797 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -5.168 9.412 -3.844 1.00 0.00 N ATOM 0 H ARG A 95 -9.126 5.557 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.902 5.426 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.476 7.732 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.540 7.088 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.602 8.089 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.021 8.255 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.318 10.413 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.337 9.963 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.444 10.328 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.666 8.658 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.999 8.342 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.326 9.881 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.249 9.027 -3.626 1.00 0.00 H new ATOM 1407 N VAL A 96 -9.327 7.240 0.337 1.00 0.00 N ATOM 1408 CA VAL A 96 -10.194 7.728 1.404 1.00 0.00 C ATOM 1409 C VAL A 96 -10.662 9.143 1.143 1.00 0.00 C ATOM 1410 O VAL A 96 -11.759 9.511 1.570 1.00 0.00 O ATOM 1411 CB VAL A 96 -9.511 7.750 2.774 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -10.545 7.938 3.874 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -8.704 6.497 3.002 1.00 0.00 C ATOM 0 H VAL A 96 -8.396 7.657 0.333 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.028 7.026 1.414 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.821 8.593 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.047 7.952 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.070 8.881 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.260 7.116 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.231 6.542 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.360 5.628 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.936 6.414 2.233 1.00 0.00 H new ATOM 1423 N ASP A 97 -9.843 9.957 0.461 1.00 0.00 N ATOM 1424 CA ASP A 97 -10.266 11.333 0.205 1.00 0.00 C ATOM 1425 C ASP A 97 -11.645 11.243 -0.383 1.00 0.00 C ATOM 1426 O ASP A 97 -12.553 11.999 -0.038 1.00 0.00 O ATOM 1427 CB ASP A 97 -9.335 12.075 -0.749 1.00 0.00 C ATOM 1428 CG ASP A 97 -9.553 13.576 -0.723 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -10.679 14.017 -1.036 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -8.597 14.309 -0.392 1.00 0.00 O ATOM 0 H ASP A 97 -8.927 9.700 0.093 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.245 11.901 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.300 11.857 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.490 11.706 -1.763 1.00 0.00 H new ATOM 1434 N ASN A 98 -11.789 10.241 -1.232 1.00 0.00 N ATOM 1435 CA ASN A 98 -13.052 9.933 -1.848 1.00 0.00 C ATOM 1436 C ASN A 98 -13.050 8.452 -2.142 1.00 0.00 C ATOM 1437 O ASN A 98 -13.375 7.634 -1.280 1.00 0.00 O ATOM 1438 CB ASN A 98 -13.277 10.767 -3.114 1.00 0.00 C ATOM 1439 CG ASN A 98 -13.521 12.231 -2.805 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -14.468 12.578 -2.101 1.00 0.00 O ATOM 1441 ND2 ASN A 98 -12.665 13.096 -3.334 1.00 0.00 N ATOM 0 H ASN A 98 -11.028 9.621 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 98 -13.877 10.184 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -12.408 10.676 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.130 10.367 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.778 14.095 -3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.894 12.762 -3.912 1.00 0.00 H new ATOM 1447 N GLY A 99 -12.613 8.106 -3.329 1.00 0.00 N ATOM 1448 CA GLY A 99 -12.492 6.721 -3.684 1.00 0.00 C ATOM 1449 C GLY A 99 -11.771 6.563 -4.970 1.00 0.00 C ATOM 1450 O GLY A 99 -12.335 6.759 -6.048 1.00 0.00 O ATOM 0 H GLY A 99 -12.338 8.763 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.961 6.185 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.483 6.274 -3.761 1.00 0.00 H new ATOM 1454 N LYS A 100 -10.513 6.209 -4.861 1.00 0.00 N ATOM 1455 CA LYS A 100 -9.707 6.028 -6.044 1.00 0.00 C ATOM 1456 C LYS A 100 -8.854 4.802 -5.932 1.00 0.00 C ATOM 1457 O LYS A 100 -7.855 4.778 -5.213 1.00 0.00 O ATOM 1458 CB LYS A 100 -8.861 7.238 -6.289 1.00 0.00 C ATOM 1459 CG LYS A 100 -9.609 8.520 -5.982 1.00 0.00 C ATOM 1460 CD LYS A 100 -8.650 9.655 -5.851 1.00 0.00 C ATOM 1461 CE LYS A 100 -9.296 10.885 -5.226 1.00 0.00 C ATOM 1462 NZ LYS A 100 -8.461 12.105 -5.415 1.00 0.00 N ATOM 0 H LYS A 100 -10.030 6.042 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.377 5.894 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.963 7.185 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.534 7.248 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.327 8.730 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.178 8.406 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.802 9.343 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.258 9.913 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.279 11.045 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.452 10.712 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.613 12.757 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.457 11.836 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.729 12.575 -6.303 1.00 0.00 H new ATOM 1472 N GLU A 101 -9.285 3.774 -6.622 1.00 0.00 N ATOM 1473 CA GLU A 101 -8.610 2.509 -6.585 1.00 0.00 C ATOM 1474 C GLU A 101 -7.757 2.275 -7.831 1.00 0.00 C ATOM 1475 O GLU A 101 -8.266 1.996 -8.913 1.00 0.00 O ATOM 1476 CB GLU A 101 -9.643 1.390 -6.394 1.00 0.00 C ATOM 1477 CG GLU A 101 -10.474 1.090 -7.624 1.00 0.00 C ATOM 1478 CD GLU A 101 -11.514 0.015 -7.381 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -11.126 -1.118 -7.025 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -12.717 0.304 -7.547 1.00 0.00 O ATOM 0 H GLU A 101 -10.110 3.795 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.921 2.509 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.124 0.481 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.311 1.664 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.971 2.003 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.816 0.776 -8.434 1.00 0.00 H new ATOM 1485 N LEU A 102 -6.446 2.353 -7.627 1.00 0.00 N ATOM 1486 CA LEU A 102 -5.440 2.118 -8.673 1.00 0.00 C ATOM 1487 C LEU A 102 -4.066 2.010 -8.037 1.00 0.00 C ATOM 1488 O LEU A 102 -3.513 2.985 -7.631 1.00 0.00 O ATOM 1489 CB LEU A 102 -5.463 3.219 -9.730 1.00 0.00 C ATOM 1490 CG LEU A 102 -6.583 3.118 -10.763 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -6.344 4.093 -11.900 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -6.688 1.693 -11.291 1.00 0.00 C ATOM 0 H LEU A 102 -6.040 2.584 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.678 1.182 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.545 4.181 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.508 3.214 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.526 3.378 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.151 4.008 -12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.314 5.109 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.394 3.863 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.490 1.636 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.746 1.408 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.903 1.014 -10.466 1.00 0.00 H new ATOM 1503 N ILE A 103 -3.531 0.816 -7.922 1.00 0.00 N ATOM 1504 CA ILE A 103 -2.217 0.638 -7.294 1.00 0.00 C ATOM 1505 C ILE A 103 -1.658 -0.773 -7.522 1.00 0.00 C ATOM 1506 O ILE A 103 -2.280 -1.753 -7.133 1.00 0.00 O ATOM 1507 CB ILE A 103 -2.294 0.901 -5.759 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -2.165 2.382 -5.442 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -1.221 0.126 -5.004 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -3.097 2.805 -4.343 1.00 0.00 C ATOM 0 H ILE A 103 -3.970 -0.045 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.550 1.361 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.274 0.554 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.138 2.602 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.374 2.964 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.305 0.334 -3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.354 -0.942 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.236 0.431 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.971 3.870 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -4.126 2.610 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.871 2.242 -3.437 1.00 0.00 H new ATOM 1521 N ALA A 104 -0.480 -0.891 -8.127 1.00 0.00 N ATOM 1522 CA ALA A 104 0.103 -2.216 -8.332 1.00 0.00 C ATOM 1523 C ALA A 104 1.528 -2.168 -8.857 1.00 0.00 C ATOM 1524 O ALA A 104 1.738 -1.934 -10.047 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.773 -3.002 -9.250 1.00 0.00 C ATOM 0 H ALA A 104 0.077 -0.111 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 104 0.160 -2.704 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.342 -3.991 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.764 -3.104 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.853 -2.486 -10.207 1.00 0.00 H new ATOM 1531 N VAL A 105 2.507 -2.415 -7.989 1.00 0.00 N ATOM 1532 CA VAL A 105 3.896 -2.419 -8.411 1.00 0.00 C ATOM 1533 C VAL A 105 4.763 -2.877 -7.282 1.00 0.00 C ATOM 1534 O VAL A 105 4.493 -2.522 -6.136 1.00 0.00 O ATOM 1535 CB VAL A 105 4.368 -1.022 -8.889 1.00 0.00 C ATOM 1536 CG1 VAL A 105 5.705 -0.648 -8.251 1.00 0.00 C ATOM 1537 CG2 VAL A 105 4.476 -0.995 -10.406 1.00 0.00 C ATOM 0 H VAL A 105 2.361 -2.613 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 105 3.979 -3.103 -9.255 1.00 0.00 H new ATOM 0 HB VAL A 105 3.628 -0.285 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.013 0.336 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.598 -0.628 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.459 -1.385 -8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.808 -0.009 -10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.195 -1.746 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.502 -1.211 -10.844 1.00 0.00 H new ATOM 1547 N ARG A 106 5.847 -3.586 -7.571 1.00 0.00 N ATOM 1548 CA ARG A 106 6.696 -3.952 -6.492 1.00 0.00 C ATOM 1549 C ARG A 106 7.818 -3.033 -6.428 1.00 0.00 C ATOM 1550 O ARG A 106 8.309 -2.489 -7.418 1.00 0.00 O ATOM 1551 CB ARG A 106 7.326 -5.332 -6.522 1.00 0.00 C ATOM 1552 CG ARG A 106 8.167 -5.622 -5.285 1.00 0.00 C ATOM 1553 CD ARG A 106 7.588 -6.819 -4.585 1.00 0.00 C ATOM 1554 NE ARG A 106 8.152 -7.133 -3.254 1.00 0.00 N ATOM 1555 CZ ARG A 106 8.040 -6.324 -2.181 1.00 0.00 C ATOM 1556 NH1 ARG A 106 7.770 -5.046 -2.340 1.00 0.00 N ATOM 1557 NH2 ARG A 106 8.252 -6.768 -0.938 1.00 0.00 N ATOM 0 H ARG A 106 6.133 -3.897 -8.500 1.00 0.00 H new ATOM 0 HA ARG A 106 6.013 -3.930 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.541 -6.083 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.951 -5.422 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.203 -5.812 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.171 -4.759 -4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.515 -6.665 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.721 -7.689 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 106 8.655 -8.013 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.645 -4.664 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.686 -4.437 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.506 -7.743 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.160 -6.131 -0.146 1.00 0.00 H new ATOM 1568 N GLU A 107 8.243 -2.931 -5.246 1.00 0.00 N ATOM 1569 CA GLU A 107 9.352 -2.157 -4.946 1.00 0.00 C ATOM 1570 C GLU A 107 10.521 -3.095 -4.779 1.00 0.00 C ATOM 1571 O GLU A 107 10.680 -3.708 -3.727 1.00 0.00 O ATOM 1572 CB GLU A 107 9.036 -1.384 -3.681 1.00 0.00 C ATOM 1573 CG GLU A 107 8.381 -2.273 -2.657 1.00 0.00 C ATOM 1574 CD GLU A 107 7.811 -1.520 -1.470 1.00 0.00 C ATOM 1575 OE1 GLU A 107 8.581 -0.819 -0.787 1.00 0.00 O ATOM 1576 OE2 GLU A 107 6.593 -1.633 -1.222 1.00 0.00 O ATOM 0 H GLU A 107 7.819 -3.395 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 107 9.603 -1.439 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.953 -0.962 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.378 -0.547 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.581 -2.836 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.111 -2.999 -2.299 1.00 0.00 H new ATOM 1581 N ILE A 108 11.318 -3.223 -5.841 1.00 0.00 N ATOM 1582 CA ILE A 108 12.463 -4.110 -5.843 1.00 0.00 C ATOM 1583 C ILE A 108 13.374 -3.862 -7.054 1.00 0.00 C ATOM 1584 O ILE A 108 12.933 -3.951 -8.200 1.00 0.00 O ATOM 1585 CB ILE A 108 12.025 -5.597 -5.880 1.00 0.00 C ATOM 1586 CG1 ILE A 108 11.338 -6.018 -4.579 1.00 0.00 C ATOM 1587 CG2 ILE A 108 13.223 -6.477 -6.171 1.00 0.00 C ATOM 1588 CD1 ILE A 108 10.999 -7.492 -4.504 1.00 0.00 C ATOM 0 H ILE A 108 11.182 -2.715 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 108 13.007 -3.900 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 108 11.293 -5.718 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.986 -5.763 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.422 -5.440 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.910 -7.521 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.650 -6.203 -7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.972 -6.341 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.515 -7.706 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.325 -7.752 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.913 -8.080 -4.587 1.00 0.00 H new ATOM 1599 N SER A 109 14.647 -3.601 -6.785 1.00 0.00 N ATOM 1600 CA SER A 109 15.654 -3.389 -7.833 1.00 0.00 C ATOM 1601 C SER A 109 17.031 -3.404 -7.188 1.00 0.00 C ATOM 1602 O SER A 109 17.383 -2.437 -6.516 1.00 0.00 O ATOM 1603 CB SER A 109 15.429 -2.050 -8.546 1.00 0.00 C ATOM 1604 OG SER A 109 14.185 -2.026 -9.222 1.00 0.00 O ATOM 0 H SER A 109 15.017 -3.529 -5.837 1.00 0.00 H new ATOM 0 HA SER A 109 15.573 -4.183 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.465 -1.239 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.235 -1.876 -9.259 1.00 0.00 H new ATOM 0 HG SER A 109 13.773 -2.914 -9.181 1.00 0.00 H new ATOM 1609 N GLY A 110 17.797 -4.501 -7.341 1.00 0.00 N ATOM 1610 CA GLY A 110 19.092 -4.551 -6.669 1.00 0.00 C ATOM 1611 C GLY A 110 18.868 -4.037 -5.274 1.00 0.00 C ATOM 1612 O GLY A 110 18.054 -4.599 -4.538 1.00 0.00 O ATOM 0 H GLY A 110 17.552 -5.321 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.480 -5.569 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.826 -3.940 -7.195 1.00 0.00 H new ATOM 1616 N ASN A 111 19.449 -2.896 -4.946 1.00 0.00 N ATOM 1617 CA ASN A 111 19.119 -2.286 -3.679 1.00 0.00 C ATOM 1618 C ASN A 111 18.404 -0.988 -4.022 1.00 0.00 C ATOM 1619 O ASN A 111 19.015 0.069 -4.182 1.00 0.00 O ATOM 1620 CB ASN A 111 20.371 -2.034 -2.836 1.00 0.00 C ATOM 1621 CG ASN A 111 21.401 -1.189 -3.560 1.00 0.00 C ATOM 1622 OD1 ASN A 111 21.892 -1.565 -4.626 1.00 0.00 O ATOM 1623 ND2 ASN A 111 21.736 -0.042 -2.983 1.00 0.00 N ATOM 0 H ASN A 111 20.126 -2.392 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 111 18.488 -2.938 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 111 20.086 -1.537 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.818 -2.989 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.425 0.568 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.304 0.230 -2.100 1.00 0.00 H new ATOM 1629 N GLU A 112 17.091 -1.112 -4.163 1.00 0.00 N ATOM 1630 CA GLU A 112 16.220 -0.005 -4.524 1.00 0.00 C ATOM 1631 C GLU A 112 14.774 -0.479 -4.504 1.00 0.00 C ATOM 1632 O GLU A 112 14.506 -1.617 -4.891 1.00 0.00 O ATOM 1633 CB GLU A 112 16.587 0.504 -5.922 1.00 0.00 C ATOM 1634 CG GLU A 112 15.488 1.308 -6.599 1.00 0.00 C ATOM 1635 CD GLU A 112 15.834 1.671 -8.030 1.00 0.00 C ATOM 1636 OE1 GLU A 112 16.956 1.347 -8.472 1.00 0.00 O ATOM 1637 OE2 GLU A 112 14.982 2.282 -8.709 1.00 0.00 O ATOM 0 H GLU A 112 16.597 -1.994 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 112 16.343 0.809 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.482 1.122 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.840 -0.349 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.562 0.734 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.306 2.220 -6.030 1.00 0.00 H new ATOM 1642 N LEU A 113 13.834 0.362 -4.101 1.00 0.00 N ATOM 1643 CA LEU A 113 12.451 -0.061 -4.112 1.00 0.00 C ATOM 1644 C LEU A 113 11.586 0.882 -4.926 1.00 0.00 C ATOM 1645 O LEU A 113 11.883 2.062 -5.080 1.00 0.00 O ATOM 1646 CB LEU A 113 11.918 -0.260 -2.698 1.00 0.00 C ATOM 1647 CG LEU A 113 11.890 -1.742 -2.324 1.00 0.00 C ATOM 1648 CD1 LEU A 113 13.287 -2.313 -2.260 1.00 0.00 C ATOM 1649 CD2 LEU A 113 11.113 -2.029 -1.048 1.00 0.00 C ATOM 0 H LEU A 113 13.999 1.313 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 113 12.406 -1.032 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.543 0.285 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.913 0.156 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 113 11.347 -2.247 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.237 -3.368 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.768 -2.208 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.866 -1.775 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.134 -3.099 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.567 -1.491 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.080 -1.703 -1.170 1.00 0.00 H new ATOM 1660 N ILE A 114 10.540 0.315 -5.484 1.00 0.00 N ATOM 1661 CA ILE A 114 9.612 1.032 -6.339 1.00 0.00 C ATOM 1662 C ILE A 114 8.209 0.806 -5.897 1.00 0.00 C ATOM 1663 O ILE A 114 7.703 -0.309 -5.889 1.00 0.00 O ATOM 1664 CB ILE A 114 9.683 0.533 -7.768 1.00 0.00 C ATOM 1665 CG1 ILE A 114 11.057 -0.061 -8.011 1.00 0.00 C ATOM 1666 CG2 ILE A 114 9.380 1.660 -8.749 1.00 0.00 C ATOM 1667 CD1 ILE A 114 12.182 0.956 -7.931 1.00 0.00 C ATOM 0 H ILE A 114 10.304 -0.669 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 114 9.889 2.084 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 114 8.930 -0.239 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.238 -0.849 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.072 -0.530 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.437 1.280 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.378 2.047 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.108 2.461 -8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.135 0.460 -8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.026 1.731 -8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.194 1.408 -6.939 1.00 0.00 H new ATOM 1678 N GLN A 115 7.569 1.859 -5.566 1.00 0.00 N ATOM 1679 CA GLN A 115 6.217 1.758 -5.138 1.00 0.00 C ATOM 1680 C GLN A 115 5.337 2.612 -6.012 1.00 0.00 C ATOM 1681 O GLN A 115 5.302 3.831 -5.874 1.00 0.00 O ATOM 1682 CB GLN A 115 6.160 2.148 -3.677 1.00 0.00 C ATOM 1683 CG GLN A 115 6.804 1.075 -2.782 1.00 0.00 C ATOM 1684 CD GLN A 115 6.533 1.291 -1.307 1.00 0.00 C ATOM 1685 OE1 GLN A 115 7.595 1.498 -0.533 1.00 0.00 O flip ATOM 1686 NE2 GLN A 115 5.385 1.275 -0.865 1.00 0.00 N flip ATOM 0 H GLN A 115 7.952 2.804 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 115 5.843 0.739 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.673 3.099 -3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.122 2.297 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.430 0.094 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.881 1.068 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.599 1.113 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.220 1.424 0.130 1.00 0.00 H new ATOM 1693 N THR A 116 4.637 1.959 -6.933 1.00 0.00 N ATOM 1694 CA THR A 116 3.791 2.672 -7.850 1.00 0.00 C ATOM 1695 C THR A 116 2.368 2.646 -7.399 1.00 0.00 C ATOM 1696 O THR A 116 1.740 1.588 -7.323 1.00 0.00 O ATOM 1697 CB THR A 116 3.805 2.092 -9.268 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.133 1.765 -9.661 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.204 3.082 -10.243 1.00 0.00 C ATOM 0 H THR A 116 4.646 0.946 -7.055 1.00 0.00 H new ATOM 0 HA THR A 116 4.194 3.685 -7.867 1.00 0.00 H new ATOM 0 HB THR A 116 3.207 1.181 -9.274 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.130 1.439 -10.585 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.219 2.659 -11.247 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.175 3.297 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.785 4.004 -10.229 1.00 0.00 H new ATOM 1707 N TYR A 117 1.847 3.815 -7.140 1.00 0.00 N ATOM 1708 CA TYR A 117 0.493 3.928 -6.746 1.00 0.00 C ATOM 1709 C TYR A 117 -0.257 4.612 -7.839 1.00 0.00 C ATOM 1710 O TYR A 117 0.331 5.176 -8.752 1.00 0.00 O ATOM 1711 CB TYR A 117 0.322 4.713 -5.459 1.00 0.00 C ATOM 1712 CG TYR A 117 1.399 4.440 -4.432 1.00 0.00 C ATOM 1713 CD1 TYR A 117 2.652 5.073 -4.466 1.00 0.00 C ATOM 1714 CD2 TYR A 117 1.154 3.525 -3.419 1.00 0.00 C ATOM 1715 CE1 TYR A 117 3.606 4.784 -3.514 1.00 0.00 C ATOM 1716 CE2 TYR A 117 2.106 3.235 -2.470 1.00 0.00 C ATOM 1717 CZ TYR A 117 3.327 3.862 -2.519 1.00 0.00 C ATOM 1718 OH TYR A 117 4.273 3.570 -1.566 1.00 0.00 O ATOM 0 H TYR A 117 2.353 4.699 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 117 0.110 2.924 -6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.316 5.778 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -0.650 4.476 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.870 5.791 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.195 3.030 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 117 4.568 5.275 -3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.895 2.518 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 117 4.372 4.333 -0.959 1.00 0.00 H new ATOM 1727 N THR A 118 -1.544 4.544 -7.739 1.00 0.00 N ATOM 1728 CA THR A 118 -2.413 5.135 -8.711 1.00 0.00 C ATOM 1729 C THR A 118 -3.746 5.451 -8.030 1.00 0.00 C ATOM 1730 O THR A 118 -4.015 4.957 -6.935 1.00 0.00 O ATOM 1731 CB THR A 118 -2.549 4.179 -9.920 1.00 0.00 C ATOM 1732 OG1 THR A 118 -1.279 3.558 -10.178 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.960 4.953 -11.163 1.00 0.00 C ATOM 0 H THR A 118 -2.029 4.073 -6.975 1.00 0.00 H new ATOM 0 HA THR A 118 -2.013 6.071 -9.100 1.00 0.00 H new ATOM 0 HB THR A 118 -3.306 3.430 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.361 2.951 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.052 4.267 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.918 5.442 -10.987 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.205 5.706 -11.389 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.560 6.300 -8.613 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.818 6.649 -7.976 1.00 0.00 C ATOM 1743 C TYR A 119 -6.635 7.416 -8.978 1.00 0.00 C ATOM 1744 O TYR A 119 -6.308 8.553 -9.309 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.543 7.423 -6.681 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.617 8.619 -6.850 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -3.225 8.492 -6.728 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -5.131 9.877 -7.134 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -2.394 9.595 -6.894 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -4.304 10.973 -7.296 1.00 0.00 C ATOM 1751 CZ TYR A 119 -2.936 10.830 -7.176 1.00 0.00 C ATOM 1752 OH TYR A 119 -2.111 11.932 -7.359 1.00 0.00 O ATOM 0 H TYR A 119 -4.384 6.756 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.388 5.769 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.492 7.768 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.108 6.742 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -2.794 7.528 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.199 10.002 -7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -1.324 9.483 -6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -4.728 11.941 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 119 -1.994 12.398 -6.505 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.627 6.733 -9.542 1.00 0.00 N ATOM 1762 CA GLU A 120 -8.415 7.286 -10.625 1.00 0.00 C ATOM 1763 C GLU A 120 -7.509 7.181 -11.834 1.00 0.00 C ATOM 1764 O GLU A 120 -7.758 6.404 -12.756 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.829 8.732 -10.357 1.00 0.00 C ATOM 1766 CG GLU A 120 -9.594 8.905 -9.059 1.00 0.00 C ATOM 1767 CD GLU A 120 -10.063 10.331 -8.842 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -9.702 11.206 -9.658 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -10.788 10.576 -7.856 1.00 0.00 O ATOM 0 H GLU A 120 -7.901 5.791 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 120 -9.355 6.751 -10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.938 9.359 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.445 9.086 -11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -10.457 8.239 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.959 8.605 -8.225 1.00 0.00 H new ATOM 1774 N GLY A 121 -6.382 7.883 -11.747 1.00 0.00 N ATOM 1775 CA GLY A 121 -5.356 7.772 -12.741 1.00 0.00 C ATOM 1776 C GLY A 121 -4.116 8.556 -12.374 1.00 0.00 C ATOM 1777 O GLY A 121 -4.011 9.733 -12.713 1.00 0.00 O ATOM 0 H GLY A 121 -6.170 8.533 -10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.094 6.722 -12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.739 8.128 -13.697 1.00 0.00 H new ATOM 1781 N VAL A 122 -3.156 7.887 -11.738 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.886 8.502 -11.374 1.00 0.00 C ATOM 1783 C VAL A 122 -0.880 7.468 -10.945 1.00 0.00 C ATOM 1784 O VAL A 122 -0.918 7.023 -9.813 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.975 9.505 -10.191 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -0.580 9.923 -9.762 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -2.786 10.743 -10.511 1.00 0.00 C ATOM 0 H VAL A 122 -3.238 6.908 -11.463 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.590 9.029 -12.281 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.490 8.982 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.650 10.626 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.018 9.044 -9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.069 10.399 -10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.807 11.399 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.332 11.268 -11.351 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.804 10.454 -10.771 1.00 0.00 H new ATOM 1797 N GLU A 123 0.079 7.138 -11.779 1.00 0.00 N ATOM 1798 CA GLU A 123 1.071 6.204 -11.320 1.00 0.00 C ATOM 1799 C GLU A 123 2.271 6.987 -10.841 1.00 0.00 C ATOM 1800 O GLU A 123 2.635 8.015 -11.413 1.00 0.00 O ATOM 1801 CB GLU A 123 1.489 5.169 -12.359 1.00 0.00 C ATOM 1802 CG GLU A 123 2.469 5.663 -13.415 1.00 0.00 C ATOM 1803 CD GLU A 123 1.918 6.788 -14.275 1.00 0.00 C ATOM 1804 OE1 GLU A 123 1.697 7.896 -13.744 1.00 0.00 O ATOM 1805 OE2 GLU A 123 1.704 6.558 -15.483 1.00 0.00 O ATOM 0 H GLU A 123 0.190 7.484 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 123 0.624 5.626 -10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.936 4.320 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.594 4.801 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.379 6.005 -12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.749 4.829 -14.058 1.00 0.00 H new ATOM 1810 N ALA A 124 2.842 6.526 -9.755 1.00 0.00 N ATOM 1811 CA ALA A 124 3.967 7.211 -9.146 1.00 0.00 C ATOM 1812 C ALA A 124 4.715 6.298 -8.196 1.00 0.00 C ATOM 1813 O ALA A 124 4.118 5.478 -7.506 1.00 0.00 O ATOM 1814 CB ALA A 124 3.477 8.455 -8.420 1.00 0.00 C ATOM 0 H ALA A 124 2.549 5.678 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 124 4.661 7.506 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.324 8.967 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.989 9.122 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.766 8.168 -7.645 1.00 0.00 H new ATOM 1820 N LYS A 125 6.036 6.439 -8.188 1.00 0.00 N ATOM 1821 CA LYS A 125 6.907 5.622 -7.364 1.00 0.00 C ATOM 1822 C LYS A 125 8.255 6.303 -7.180 1.00 0.00 C ATOM 1823 O LYS A 125 8.885 6.697 -8.162 1.00 0.00 O ATOM 1824 CB LYS A 125 7.119 4.262 -8.027 1.00 0.00 C ATOM 1825 CG LYS A 125 6.337 4.065 -9.319 1.00 0.00 C ATOM 1826 CD LYS A 125 6.567 5.150 -10.348 1.00 0.00 C ATOM 1827 CE LYS A 125 5.602 4.981 -11.497 1.00 0.00 C ATOM 1828 NZ LYS A 125 5.482 3.558 -11.937 1.00 0.00 N ATOM 0 H LYS A 125 6.531 7.127 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 125 6.437 5.489 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.181 4.135 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.837 3.480 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.609 3.103 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.273 4.020 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.434 6.131 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.593 5.105 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.620 5.351 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.932 5.592 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.681 3.464 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.358 3.268 -12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.324 2.950 -11.108 1.00 0.00 H new ATOM 1838 N ARG A 126 8.720 6.434 -5.932 1.00 0.00 N ATOM 1839 CA ARG A 126 10.005 7.058 -5.718 1.00 0.00 C ATOM 1840 C ARG A 126 10.639 6.579 -4.447 1.00 0.00 C ATOM 1841 O ARG A 126 10.247 6.927 -3.336 1.00 0.00 O ATOM 1842 CB ARG A 126 9.914 8.570 -5.750 1.00 0.00 C ATOM 1843 CG ARG A 126 9.348 9.197 -4.510 1.00 0.00 C ATOM 1844 CD ARG A 126 8.202 8.406 -4.107 1.00 0.00 C ATOM 1845 NE ARG A 126 7.244 8.423 -5.192 1.00 0.00 N ATOM 1846 CZ ARG A 126 6.304 7.522 -5.386 1.00 0.00 C ATOM 1847 NH1 ARG A 126 6.352 6.346 -4.762 1.00 0.00 N ATOM 1848 NH2 ARG A 126 5.311 7.788 -6.208 1.00 0.00 N ATOM 0 H ARG A 126 8.236 6.124 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 126 10.647 6.757 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.911 8.976 -5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.300 8.864 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.095 9.221 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.054 10.229 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.505 7.383 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.757 8.814 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 126 7.302 9.193 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.122 6.137 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 126 5.619 5.655 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.274 8.687 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.579 7.095 -6.364 1.00 0.00 H new ATOM 1859 N ILE A 127 11.585 5.719 -4.618 1.00 0.00 N ATOM 1860 CA ILE A 127 12.224 5.122 -3.495 1.00 0.00 C ATOM 1861 C ILE A 127 13.572 4.517 -3.828 1.00 0.00 C ATOM 1862 O ILE A 127 13.687 3.726 -4.763 1.00 0.00 O ATOM 1863 CB ILE A 127 11.378 3.951 -3.006 1.00 0.00 C ATOM 1864 CG1 ILE A 127 9.861 4.174 -3.203 1.00 0.00 C ATOM 1865 CG2 ILE A 127 11.717 3.628 -1.585 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.078 2.991 -2.735 1.00 0.00 C ATOM 0 H ILE A 127 11.934 5.413 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 127 12.345 5.919 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 127 11.625 3.090 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.547 5.062 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.651 4.359 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.107 2.791 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.771 3.361 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.520 4.497 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.014 3.176 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.377 2.109 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.271 2.823 -1.675 1.00 0.00 H new ATOM 1877 N PHE A 128 14.555 4.774 -2.989 1.00 0.00 N ATOM 1878 CA PHE A 128 15.826 4.113 -3.148 1.00 0.00 C ATOM 1879 C PHE A 128 16.112 3.458 -1.850 1.00 0.00 C ATOM 1880 O PHE A 128 16.418 4.074 -0.833 1.00 0.00 O ATOM 1881 CB PHE A 128 16.916 5.017 -3.629 1.00 0.00 C ATOM 1882 CG PHE A 128 16.638 5.431 -5.032 1.00 0.00 C ATOM 1883 CD1 PHE A 128 16.341 4.456 -5.961 1.00 0.00 C ATOM 1884 CD2 PHE A 128 16.614 6.759 -5.416 1.00 0.00 C ATOM 1885 CE1 PHE A 128 16.037 4.789 -7.263 1.00 0.00 C ATOM 1886 CE2 PHE A 128 16.304 7.106 -6.719 1.00 0.00 C ATOM 1887 CZ PHE A 128 16.019 6.118 -7.646 1.00 0.00 C ATOM 0 H PHE A 128 14.498 5.424 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 128 15.778 3.370 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 128 16.984 5.895 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 128 17.877 4.506 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 128 16.347 3.418 -5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 128 16.839 7.530 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 128 15.814 4.015 -7.982 1.00 0.00 H new ATOM 0 HE2 PHE A 128 16.284 8.145 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 128 15.783 6.384 -8.666 1.00 0.00 H new ATOM 1896 N LYS A 129 15.831 2.202 -1.915 1.00 0.00 N ATOM 1897 CA LYS A 129 15.817 1.341 -0.762 1.00 0.00 C ATOM 1898 C LYS A 129 16.923 0.333 -0.607 1.00 0.00 C ATOM 1899 O LYS A 129 17.697 0.030 -1.513 1.00 0.00 O ATOM 1900 CB LYS A 129 14.513 0.589 -0.770 1.00 0.00 C ATOM 1901 CG LYS A 129 13.310 1.416 -0.433 1.00 0.00 C ATOM 1902 CD LYS A 129 12.240 0.583 0.233 1.00 0.00 C ATOM 1903 CE LYS A 129 10.949 1.344 0.437 1.00 0.00 C ATOM 1904 NZ LYS A 129 11.155 2.617 1.183 1.00 0.00 N ATOM 0 H LYS A 129 15.598 1.726 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 129 15.962 2.022 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.369 0.149 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.581 -0.235 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.601 2.233 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.910 1.867 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.044 -0.301 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.606 0.232 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.501 1.562 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.242 0.717 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.536 3.354 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.926 2.472 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.147 2.915 1.094 1.00 0.00 H new ATOM 1914 N LYS A 130 16.902 -0.206 0.604 1.00 0.00 N ATOM 1915 CA LYS A 130 17.792 -1.243 1.055 1.00 0.00 C ATOM 1916 C LYS A 130 19.251 -0.931 0.752 1.00 0.00 C ATOM 1917 O LYS A 130 19.631 0.229 0.586 1.00 0.00 O ATOM 1918 CB LYS A 130 17.385 -2.566 0.428 1.00 0.00 C ATOM 1919 CG LYS A 130 17.615 -3.759 1.335 1.00 0.00 C ATOM 1920 CD LYS A 130 17.960 -5.015 0.560 1.00 0.00 C ATOM 1921 CE LYS A 130 17.504 -6.253 1.310 1.00 0.00 C ATOM 1922 NZ LYS A 130 18.142 -6.359 2.651 1.00 0.00 N ATOM 0 H LYS A 130 16.236 0.085 1.319 1.00 0.00 H new ATOM 0 HA LYS A 130 17.708 -1.307 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 130 16.330 -2.522 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 130 17.945 -2.709 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 130 18.422 -3.532 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 130 16.720 -3.937 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 130 17.487 -4.984 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 130 19.036 -5.061 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.420 -6.229 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 130 17.743 -7.140 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.939 -7.294 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 19.171 -6.238 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 17.762 -5.619 3.276 1.00 0.00 H new ATOM 1932 N GLU A 131 20.059 -1.984 0.682 1.00 0.00 N ATOM 1933 CA GLU A 131 21.485 -1.850 0.399 1.00 0.00 C ATOM 1934 C GLU A 131 22.159 -3.218 0.352 1.00 0.00 C ATOM 1935 O GLU A 131 23.288 -3.342 0.875 1.00 0.00 O ATOM 1936 CB GLU A 131 22.162 -0.966 1.452 1.00 0.00 C ATOM 1937 CG GLU A 131 21.958 -1.450 2.878 1.00 0.00 C ATOM 1938 CD GLU A 131 22.638 -0.559 3.898 1.00 0.00 C ATOM 1939 OE1 GLU A 131 22.305 0.643 3.954 1.00 0.00 O ATOM 1940 OE2 GLU A 131 23.505 -1.064 4.642 1.00 0.00 O ATOM 1941 OXT GLU A 131 21.553 -4.156 -0.207 1.00 0.00 O ATOM 0 H GLU A 131 19.748 -2.946 0.818 1.00 0.00 H new ATOM 0 HA GLU A 131 21.592 -1.377 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 131 23.231 -0.920 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 131 21.776 0.050 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 131 20.890 -1.494 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 131 22.344 -2.465 2.972 1.00 0.00 H new