USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 33 GLN : amide:sc= -3.69! K(o=-7.7!,f=1.7) USER MOD Set 1.2: A 49 ASN : amide:sc= -4.37! C(o=-7.7!,f=-4.8!) USER MOD Set 1.3: A 51 ASN : amide:sc= 0.314 K(o=-7.7,f=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 7:sc= 1.93 USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= -2.84! (180deg=-5.45!) USER MOD Single : A 12 ASN : amide:sc= -3.06! K(o=-3.1!,f=-2.2) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.143 (180deg=-0.946) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.336! USER MOD Single : A 20 SER OG : rot -170:sc= -0.45 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -1.42 (180deg=-1.96) USER MOD Single : A 30 GLN : amide:sc= -2.95! K(o=-2.9!,f=0.42) USER MOD Single : A 34 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.0231 (180deg=-0.387) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0263 USER MOD Single : A 52 SER OG : rot -100:sc= -0.832 USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= -8.09! (180deg=-11!) USER MOD Single : A 65 GLN : amide:sc= -7.86! C(o=-7.9!,f=-6.5!) USER MOD Single : A 70 THR OG1 : rot -87:sc= 1.19 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.476 -6.787 7.668 1.00 0.00 N ATOM 2 CA MET A 1 9.533 -5.323 7.396 1.00 0.00 C ATOM 3 C MET A 1 8.116 -4.787 7.188 1.00 0.00 C ATOM 4 O MET A 1 7.348 -5.316 6.409 1.00 0.00 O ATOM 5 CB MET A 1 10.361 -5.071 6.135 1.00 0.00 C ATOM 6 CG MET A 1 10.649 -3.574 6.004 1.00 0.00 C ATOM 7 SD MET A 1 11.852 -3.076 7.260 1.00 0.00 S ATOM 8 CE MET A 1 11.975 -1.335 6.780 1.00 0.00 C ATOM 0 H1 MET A 1 10.440 -7.152 7.809 1.00 0.00 H new ATOM 0 H2 MET A 1 8.911 -6.959 8.524 1.00 0.00 H new ATOM 0 H3 MET A 1 9.037 -7.273 6.860 1.00 0.00 H new ATOM 0 HA MET A 1 9.994 -4.814 8.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.296 -5.629 6.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.823 -5.427 5.257 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.035 -3.353 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.727 -3.004 6.122 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.680 -0.825 7.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.324 -1.265 5.750 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.995 -0.864 6.864 1.00 0.00 H new ATOM 20 N GLU A 2 7.762 -3.736 7.879 1.00 0.00 N ATOM 21 CA GLU A 2 6.393 -3.159 7.722 1.00 0.00 C ATOM 22 C GLU A 2 6.407 -2.130 6.592 1.00 0.00 C ATOM 23 O GLU A 2 7.291 -1.301 6.504 1.00 0.00 O ATOM 24 CB GLU A 2 5.976 -2.475 9.026 1.00 0.00 C ATOM 25 CG GLU A 2 6.041 -3.481 10.177 1.00 0.00 C ATOM 26 CD GLU A 2 4.936 -4.525 10.005 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.789 -4.128 9.878 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.255 -5.702 10.003 1.00 0.00 O ATOM 0 H GLU A 2 8.362 -3.251 8.546 1.00 0.00 H new ATOM 0 HA GLU A 2 5.686 -3.954 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.633 -1.630 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.965 -2.078 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.016 -3.968 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.925 -2.966 11.131 1.00 0.00 H new ATOM 35 N LEU A 3 5.433 -2.174 5.723 1.00 0.00 N ATOM 36 CA LEU A 3 5.395 -1.195 4.599 1.00 0.00 C ATOM 37 C LEU A 3 3.979 -1.132 4.023 1.00 0.00 C ATOM 38 O LEU A 3 3.699 -1.702 2.987 1.00 0.00 O ATOM 39 CB LEU A 3 6.365 -1.642 3.498 1.00 0.00 C ATOM 40 CG LEU A 3 6.516 -0.529 2.438 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.513 0.538 2.914 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.021 -1.134 1.124 1.00 0.00 C ATOM 0 H LEU A 3 4.664 -2.844 5.743 1.00 0.00 H new ATOM 0 HA LEU A 3 5.685 -0.211 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.337 -1.875 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.998 -2.555 3.028 1.00 0.00 H new ATOM 0 HG LEU A 3 5.542 -0.064 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.606 1.314 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.155 0.981 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.486 0.077 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.127 -0.347 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.988 -1.609 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.308 -1.878 0.768 1.00 0.00 H new ATOM 54 N TRP A 4 3.087 -0.434 4.670 1.00 0.00 N ATOM 55 CA TRP A 4 1.702 -0.332 4.134 1.00 0.00 C ATOM 56 C TRP A 4 1.693 0.711 3.018 1.00 0.00 C ATOM 57 O TRP A 4 2.642 1.450 2.852 1.00 0.00 O ATOM 58 CB TRP A 4 0.745 0.084 5.253 1.00 0.00 C ATOM 59 CG TRP A 4 0.809 -0.929 6.350 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.839 -1.066 7.217 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.169 -1.948 6.712 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.558 -2.101 8.091 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.333 -2.678 7.823 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.434 -2.309 6.191 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.393 -3.730 8.398 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.168 -3.369 6.768 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.647 -4.077 7.869 1.00 0.00 C ATOM 0 H TRP A 4 3.256 0.067 5.542 1.00 0.00 H new ATOM 0 HA TRP A 4 1.377 -1.296 3.742 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.016 1.069 5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.272 0.160 4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.736 -0.464 7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.180 -2.401 8.842 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.841 -1.771 5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.009 -4.270 9.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.133 -3.638 6.363 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.212 -4.887 8.306 1.00 0.00 H new ATOM 78 N VAL A 5 0.642 0.768 2.236 1.00 0.00 N ATOM 79 CA VAL A 5 0.592 1.759 1.114 1.00 0.00 C ATOM 80 C VAL A 5 -0.787 2.431 1.069 1.00 0.00 C ATOM 81 O VAL A 5 -1.363 2.752 2.090 1.00 0.00 O ATOM 82 CB VAL A 5 0.858 1.022 -0.208 1.00 0.00 C ATOM 83 CG1 VAL A 5 1.335 2.016 -1.282 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.930 -0.051 0.020 1.00 0.00 C ATOM 0 H VAL A 5 -0.182 0.173 2.325 1.00 0.00 H new ATOM 0 HA VAL A 5 1.349 2.528 1.268 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.064 0.552 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.520 1.483 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.568 2.773 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.255 2.497 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.123 -0.577 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.849 0.421 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.581 -0.760 0.770 1.00 0.00 H new ATOM 94 N SER A 6 -1.315 2.654 -0.107 1.00 0.00 N ATOM 95 CA SER A 6 -2.649 3.314 -0.215 1.00 0.00 C ATOM 96 C SER A 6 -3.226 3.072 -1.629 1.00 0.00 C ATOM 97 O SER A 6 -2.471 2.889 -2.561 1.00 0.00 O ATOM 98 CB SER A 6 -2.472 4.818 0.024 1.00 0.00 C ATOM 99 OG SER A 6 -2.402 5.065 1.423 1.00 0.00 O ATOM 0 H SER A 6 -0.880 2.408 -0.996 1.00 0.00 H new ATOM 0 HA SER A 6 -3.335 2.902 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.565 5.172 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.305 5.368 -0.413 1.00 0.00 H new ATOM 0 HG SER A 6 -2.368 4.212 1.904 1.00 0.00 H new ATOM 105 N PRO A 7 -4.544 3.077 -1.764 1.00 0.00 N ATOM 106 CA PRO A 7 -5.187 2.859 -3.080 1.00 0.00 C ATOM 107 C PRO A 7 -4.667 3.866 -4.120 1.00 0.00 C ATOM 108 O PRO A 7 -4.310 3.501 -5.222 1.00 0.00 O ATOM 109 CB PRO A 7 -6.702 3.055 -2.823 1.00 0.00 C ATOM 110 CG PRO A 7 -6.878 3.413 -1.319 1.00 0.00 C ATOM 111 CD PRO A 7 -5.493 3.293 -0.647 1.00 0.00 C ATOM 0 HA PRO A 7 -4.968 1.870 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.099 3.849 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.253 2.147 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.271 4.424 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.593 2.740 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.246 4.195 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.467 2.463 0.059 1.00 0.00 H new ATOM 119 N LYS A 8 -4.639 5.126 -3.786 1.00 0.00 N ATOM 120 CA LYS A 8 -4.163 6.145 -4.767 1.00 0.00 C ATOM 121 C LYS A 8 -2.742 5.806 -5.225 1.00 0.00 C ATOM 122 O LYS A 8 -2.319 6.190 -6.297 1.00 0.00 O ATOM 123 CB LYS A 8 -4.171 7.528 -4.109 1.00 0.00 C ATOM 124 CG LYS A 8 -3.570 7.432 -2.704 1.00 0.00 C ATOM 125 CD LYS A 8 -3.191 8.831 -2.207 1.00 0.00 C ATOM 126 CE LYS A 8 -4.442 9.711 -2.128 1.00 0.00 C ATOM 127 NZ LYS A 8 -4.790 10.203 -3.491 1.00 0.00 N ATOM 0 H LYS A 8 -4.924 5.495 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.826 6.146 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.599 8.232 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.190 7.910 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.287 6.975 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.689 6.790 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.721 8.763 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.461 9.281 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.274 9.143 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.265 10.554 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.032 11.213 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.977 10.071 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.604 9.669 -3.856 1.00 0.00 H new ATOM 141 N GLU A 9 -2.002 5.091 -4.424 1.00 0.00 N ATOM 142 CA GLU A 9 -0.609 4.729 -4.819 1.00 0.00 C ATOM 143 C GLU A 9 -0.637 3.466 -5.682 1.00 0.00 C ATOM 144 O GLU A 9 0.243 3.231 -6.487 1.00 0.00 O ATOM 145 CB GLU A 9 0.215 4.459 -3.562 1.00 0.00 C ATOM 146 CG GLU A 9 0.422 5.766 -2.790 1.00 0.00 C ATOM 147 CD GLU A 9 1.494 5.560 -1.718 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.656 5.468 -2.080 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.136 5.499 -0.553 1.00 0.00 O ATOM 0 H GLU A 9 -2.300 4.741 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.165 5.548 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.294 3.730 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.179 4.029 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.723 6.561 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.514 6.080 -2.328 1.00 0.00 H new ATOM 156 N LEU A 10 -1.640 2.648 -5.518 1.00 0.00 N ATOM 157 CA LEU A 10 -1.726 1.396 -6.326 1.00 0.00 C ATOM 158 C LEU A 10 -2.316 1.719 -7.699 1.00 0.00 C ATOM 159 O LEU A 10 -2.147 0.978 -8.647 1.00 0.00 O ATOM 160 CB LEU A 10 -2.632 0.393 -5.605 1.00 0.00 C ATOM 161 CG LEU A 10 -2.025 0.012 -4.246 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.049 -0.802 -3.450 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.747 -0.824 -4.445 1.00 0.00 C ATOM 0 H LEU A 10 -2.405 2.792 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.731 0.968 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.623 0.825 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.759 -0.499 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.768 0.921 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.625 -1.076 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.948 -0.205 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.305 -1.706 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.329 -1.086 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.989 -1.734 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.017 -0.244 -5.010 1.00 0.00 H new ATOM 175 N ALA A 11 -3.019 2.813 -7.804 1.00 0.00 N ATOM 176 CA ALA A 11 -3.634 3.205 -9.108 1.00 0.00 C ATOM 177 C ALA A 11 -2.555 3.492 -10.167 1.00 0.00 C ATOM 178 O ALA A 11 -2.758 4.309 -11.043 1.00 0.00 O ATOM 179 CB ALA A 11 -4.484 4.460 -8.904 1.00 0.00 C ATOM 0 H ALA A 11 -3.196 3.460 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.252 2.379 -9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.936 4.752 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.269 4.254 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.854 5.271 -8.538 1.00 0.00 H new ATOM 185 N ASN A 12 -1.411 2.853 -10.104 1.00 0.00 N ATOM 186 CA ASN A 12 -0.347 3.133 -11.123 1.00 0.00 C ATOM 187 C ASN A 12 0.468 1.869 -11.426 1.00 0.00 C ATOM 188 O ASN A 12 1.284 1.860 -12.324 1.00 0.00 O ATOM 189 CB ASN A 12 0.589 4.219 -10.589 1.00 0.00 C ATOM 190 CG ASN A 12 -0.231 5.438 -10.163 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.878 6.064 -10.978 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.232 5.802 -8.909 1.00 0.00 N ATOM 0 H ASN A 12 -1.168 2.157 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.827 3.466 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.159 3.838 -9.742 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.309 4.502 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.776 6.612 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.312 5.276 -8.225 1.00 0.00 H new ATOM 199 N LEU A 13 0.258 0.798 -10.706 1.00 0.00 N ATOM 200 CA LEU A 13 1.036 -0.442 -10.999 1.00 0.00 C ATOM 201 C LEU A 13 0.393 -1.137 -12.217 1.00 0.00 C ATOM 202 O LEU A 13 -0.801 -1.037 -12.390 1.00 0.00 O ATOM 203 CB LEU A 13 0.991 -1.376 -9.780 1.00 0.00 C ATOM 204 CG LEU A 13 1.272 -0.585 -8.494 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.562 -1.559 -7.348 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.488 0.328 -8.694 1.00 0.00 C ATOM 0 H LEU A 13 -0.409 0.728 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 13 2.076 -0.197 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.014 -1.854 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.728 -2.171 -9.895 1.00 0.00 H new ATOM 0 HG LEU A 13 0.399 0.022 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.761 -0.998 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.699 -2.207 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.432 -2.166 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.680 0.885 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.361 -0.277 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.289 1.026 -9.507 1.00 0.00 H new ATOM 218 N PRO A 14 1.177 -1.813 -13.040 1.00 0.00 N ATOM 219 CA PRO A 14 0.622 -2.492 -14.229 1.00 0.00 C ATOM 220 C PRO A 14 -0.454 -3.512 -13.820 1.00 0.00 C ATOM 221 O PRO A 14 -1.619 -3.360 -14.130 1.00 0.00 O ATOM 222 CB PRO A 14 1.834 -3.190 -14.894 1.00 0.00 C ATOM 223 CG PRO A 14 3.070 -2.947 -13.980 1.00 0.00 C ATOM 224 CD PRO A 14 2.641 -1.961 -12.873 1.00 0.00 C ATOM 0 HA PRO A 14 0.134 -1.796 -14.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.646 -4.257 -15.010 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.009 -2.787 -15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.416 -3.885 -13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.899 -2.538 -14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.889 -2.346 -11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.149 -1.003 -12.979 1.00 0.00 H new ATOM 232 N GLY A 15 -0.062 -4.553 -13.141 1.00 0.00 N ATOM 233 CA GLY A 15 -1.044 -5.599 -12.721 1.00 0.00 C ATOM 234 C GLY A 15 -2.314 -4.948 -12.165 1.00 0.00 C ATOM 235 O GLY A 15 -3.407 -5.439 -12.360 1.00 0.00 O ATOM 0 H GLY A 15 0.902 -4.728 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.295 -6.233 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.597 -6.243 -11.964 1.00 0.00 H new ATOM 239 N LEU A 16 -2.180 -3.852 -11.468 1.00 0.00 N ATOM 240 CA LEU A 16 -3.381 -3.173 -10.890 1.00 0.00 C ATOM 241 C LEU A 16 -3.872 -2.086 -11.873 1.00 0.00 C ATOM 242 O LEU A 16 -3.069 -1.524 -12.587 1.00 0.00 O ATOM 243 CB LEU A 16 -2.977 -2.518 -9.565 1.00 0.00 C ATOM 244 CG LEU A 16 -2.184 -3.515 -8.713 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.860 -2.872 -7.364 1.00 0.00 C ATOM 246 CD2 LEU A 16 -3.017 -4.785 -8.489 1.00 0.00 C ATOM 0 H LEU A 16 -1.290 -3.395 -11.272 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.180 -3.895 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.375 -1.630 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.865 -2.190 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.260 -3.781 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.296 -3.575 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.266 -1.972 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.787 -2.610 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.449 -5.491 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.942 -4.527 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.252 -5.240 -9.451 1.00 0.00 H new ATOM 258 N PRO A 17 -5.164 -1.799 -11.895 1.00 0.00 N ATOM 259 CA PRO A 17 -5.693 -0.761 -12.802 1.00 0.00 C ATOM 260 C PRO A 17 -4.966 0.570 -12.550 1.00 0.00 C ATOM 261 O PRO A 17 -4.188 0.699 -11.627 1.00 0.00 O ATOM 262 CB PRO A 17 -7.200 -0.659 -12.462 1.00 0.00 C ATOM 263 CG PRO A 17 -7.490 -1.679 -11.321 1.00 0.00 C ATOM 264 CD PRO A 17 -6.185 -2.458 -11.049 1.00 0.00 C ATOM 0 HA PRO A 17 -5.543 -1.002 -13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.455 0.353 -12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.807 -0.882 -13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.822 -1.162 -10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.290 -2.361 -11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.912 -2.415 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.292 -3.511 -11.308 1.00 0.00 H new ATOM 272 N LYS A 18 -5.215 1.558 -13.371 1.00 0.00 N ATOM 273 CA LYS A 18 -4.542 2.880 -13.191 1.00 0.00 C ATOM 274 C LYS A 18 -5.439 3.809 -12.369 1.00 0.00 C ATOM 275 O LYS A 18 -5.147 4.976 -12.201 1.00 0.00 O ATOM 276 CB LYS A 18 -4.285 3.505 -14.563 1.00 0.00 C ATOM 277 CG LYS A 18 -3.719 2.441 -15.506 1.00 0.00 C ATOM 278 CD LYS A 18 -3.117 3.114 -16.741 1.00 0.00 C ATOM 279 CE LYS A 18 -2.434 2.063 -17.617 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.263 0.825 -17.646 1.00 0.00 N ATOM 0 H LYS A 18 -5.858 1.506 -14.161 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.597 2.738 -12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.211 3.912 -14.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.585 4.336 -14.472 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.958 1.854 -14.992 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.507 1.750 -15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.897 3.622 -17.307 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.396 3.874 -16.439 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.301 2.448 -18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.441 1.839 -17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.003 0.252 -18.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.097 0.275 -16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.269 1.082 -17.705 1.00 0.00 H new ATOM 294 N THR A 19 -6.531 3.296 -11.858 1.00 0.00 N ATOM 295 CA THR A 19 -7.465 4.139 -11.044 1.00 0.00 C ATOM 296 C THR A 19 -7.817 3.400 -9.751 1.00 0.00 C ATOM 297 O THR A 19 -8.202 2.248 -9.768 1.00 0.00 O ATOM 298 CB THR A 19 -8.742 4.397 -11.846 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.592 3.261 -11.757 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.383 4.654 -13.310 1.00 0.00 C ATOM 0 H THR A 19 -6.818 2.324 -11.970 1.00 0.00 H new ATOM 0 HA THR A 19 -6.987 5.088 -10.803 1.00 0.00 H new ATOM 0 HB THR A 19 -9.256 5.269 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.103 2.518 -11.347 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.293 4.838 -13.881 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.731 5.525 -13.377 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.869 3.783 -13.717 1.00 0.00 H new ATOM 308 N SER A 20 -7.687 4.055 -8.629 1.00 0.00 N ATOM 309 CA SER A 20 -8.014 3.391 -7.336 1.00 0.00 C ATOM 310 C SER A 20 -9.421 2.797 -7.409 1.00 0.00 C ATOM 311 O SER A 20 -9.722 1.807 -6.771 1.00 0.00 O ATOM 312 CB SER A 20 -7.955 4.421 -6.207 1.00 0.00 C ATOM 313 OG SER A 20 -8.748 3.967 -5.118 1.00 0.00 O ATOM 0 H SER A 20 -7.369 5.021 -8.553 1.00 0.00 H new ATOM 0 HA SER A 20 -7.294 2.596 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.924 4.567 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.319 5.386 -6.560 1.00 0.00 H new ATOM 0 HG SER A 20 -8.843 4.687 -4.460 1.00 0.00 H new ATOM 319 N ALA A 21 -10.287 3.394 -8.180 1.00 0.00 N ATOM 320 CA ALA A 21 -11.674 2.862 -8.293 1.00 0.00 C ATOM 321 C ALA A 21 -11.622 1.385 -8.683 1.00 0.00 C ATOM 322 O ALA A 21 -12.410 0.583 -8.224 1.00 0.00 O ATOM 323 CB ALA A 21 -12.435 3.648 -9.363 1.00 0.00 C ATOM 0 H ALA A 21 -10.094 4.227 -8.736 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.184 2.966 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.450 3.260 -9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.471 4.701 -9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.927 3.544 -10.321 1.00 0.00 H new ATOM 329 N GLY A 22 -10.696 1.021 -9.524 1.00 0.00 N ATOM 330 CA GLY A 22 -10.588 -0.406 -9.942 1.00 0.00 C ATOM 331 C GLY A 22 -9.876 -1.200 -8.847 1.00 0.00 C ATOM 332 O GLY A 22 -10.188 -2.347 -8.596 1.00 0.00 O ATOM 0 H GLY A 22 -10.009 1.649 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.580 -0.821 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.037 -0.482 -10.879 1.00 0.00 H new ATOM 336 N VAL A 23 -8.922 -0.599 -8.192 1.00 0.00 N ATOM 337 CA VAL A 23 -8.192 -1.319 -7.112 1.00 0.00 C ATOM 338 C VAL A 23 -9.153 -1.620 -5.964 1.00 0.00 C ATOM 339 O VAL A 23 -9.359 -2.758 -5.596 1.00 0.00 O ATOM 340 CB VAL A 23 -7.047 -0.449 -6.596 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.267 -1.213 -5.526 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.112 -0.099 -7.757 1.00 0.00 C ATOM 0 H VAL A 23 -8.616 0.360 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.789 -2.251 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.452 0.467 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.450 -0.592 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.933 -1.464 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.861 -2.129 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.294 0.522 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.708 -1.015 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.668 0.446 -8.520 1.00 0.00 H new ATOM 352 N ILE A 24 -9.747 -0.607 -5.394 1.00 0.00 N ATOM 353 CA ILE A 24 -10.695 -0.838 -4.271 1.00 0.00 C ATOM 354 C ILE A 24 -11.739 -1.871 -4.700 1.00 0.00 C ATOM 355 O ILE A 24 -12.061 -2.783 -3.966 1.00 0.00 O ATOM 356 CB ILE A 24 -11.376 0.484 -3.900 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.295 1.495 -3.488 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.345 0.257 -2.732 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.929 2.851 -3.140 1.00 0.00 C ATOM 0 H ILE A 24 -9.616 0.369 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.158 -1.214 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.936 0.866 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.742 1.115 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.578 1.620 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.827 1.199 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.103 -0.470 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.794 -0.120 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.148 3.554 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.461 3.237 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.628 2.724 -2.313 1.00 0.00 H new ATOM 371 N TYR A 25 -12.266 -1.742 -5.887 1.00 0.00 N ATOM 372 CA TYR A 25 -13.281 -2.726 -6.358 1.00 0.00 C ATOM 373 C TYR A 25 -12.650 -4.119 -6.388 1.00 0.00 C ATOM 374 O TYR A 25 -13.238 -5.090 -5.957 1.00 0.00 O ATOM 375 CB TYR A 25 -13.752 -2.345 -7.764 1.00 0.00 C ATOM 376 CG TYR A 25 -14.683 -3.412 -8.292 1.00 0.00 C ATOM 377 CD1 TYR A 25 -16.064 -3.337 -8.026 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.169 -4.483 -9.049 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.931 -4.332 -8.518 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.036 -5.478 -9.541 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.417 -5.403 -9.275 1.00 0.00 C ATOM 382 OH TYR A 25 -17.266 -6.376 -9.757 1.00 0.00 O ATOM 0 H TYR A 25 -12.038 -1.000 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.136 -2.724 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.262 -1.382 -7.739 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.895 -2.234 -8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.458 -2.517 -7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.110 -4.541 -9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.990 -4.274 -8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.642 -6.298 -10.122 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.750 -7.041 -10.259 1.00 0.00 H new ATOM 392 N VAL A 26 -11.452 -4.220 -6.894 1.00 0.00 N ATOM 393 CA VAL A 26 -10.773 -5.545 -6.953 1.00 0.00 C ATOM 394 C VAL A 26 -10.372 -5.969 -5.538 1.00 0.00 C ATOM 395 O VAL A 26 -10.216 -7.140 -5.253 1.00 0.00 O ATOM 396 CB VAL A 26 -9.524 -5.435 -7.836 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.685 -6.711 -7.716 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.950 -5.246 -9.295 1.00 0.00 C ATOM 0 H VAL A 26 -10.913 -3.440 -7.270 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.448 -6.289 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.929 -4.582 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.800 -6.625 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.380 -6.850 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.277 -7.568 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.064 -5.167 -9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.547 -6.100 -9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.542 -4.335 -9.386 1.00 0.00 H new ATOM 408 N ALA A 27 -10.211 -5.029 -4.647 1.00 0.00 N ATOM 409 CA ALA A 27 -9.828 -5.391 -3.254 1.00 0.00 C ATOM 410 C ALA A 27 -10.872 -6.351 -2.688 1.00 0.00 C ATOM 411 O ALA A 27 -10.567 -7.226 -1.906 1.00 0.00 O ATOM 412 CB ALA A 27 -9.766 -4.130 -2.390 1.00 0.00 C ATOM 0 H ALA A 27 -10.328 -4.031 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.848 -5.868 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.485 -4.400 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.025 -3.444 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.743 -3.647 -2.381 1.00 0.00 H new ATOM 418 N LYS A 28 -12.104 -6.198 -3.085 1.00 0.00 N ATOM 419 CA LYS A 28 -13.166 -7.109 -2.578 1.00 0.00 C ATOM 420 C LYS A 28 -12.981 -8.489 -3.211 1.00 0.00 C ATOM 421 O LYS A 28 -13.252 -9.506 -2.603 1.00 0.00 O ATOM 422 CB LYS A 28 -14.542 -6.545 -2.948 1.00 0.00 C ATOM 423 CG LYS A 28 -14.561 -5.034 -2.692 1.00 0.00 C ATOM 424 CD LYS A 28 -16.007 -4.533 -2.665 1.00 0.00 C ATOM 425 CE LYS A 28 -16.669 -4.797 -4.019 1.00 0.00 C ATOM 426 NZ LYS A 28 -17.918 -3.991 -4.126 1.00 0.00 N ATOM 0 H LYS A 28 -12.421 -5.482 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.097 -7.194 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.761 -6.750 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.318 -7.034 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.071 -4.810 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.001 -4.516 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.562 -5.037 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.029 -3.467 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.985 -4.537 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.898 -5.858 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.369 -4.170 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.571 -4.260 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.687 -2.980 -4.044 1.00 0.00 H new ATOM 440 N LYS A 29 -12.518 -8.530 -4.432 1.00 0.00 N ATOM 441 CA LYS A 29 -12.309 -9.841 -5.109 1.00 0.00 C ATOM 442 C LYS A 29 -11.212 -10.622 -4.378 1.00 0.00 C ATOM 443 O LYS A 29 -10.917 -11.754 -4.707 1.00 0.00 O ATOM 444 CB LYS A 29 -11.891 -9.602 -6.564 1.00 0.00 C ATOM 445 CG LYS A 29 -11.792 -10.943 -7.302 1.00 0.00 C ATOM 446 CD LYS A 29 -11.826 -10.703 -8.815 1.00 0.00 C ATOM 447 CE LYS A 29 -10.746 -9.689 -9.199 1.00 0.00 C ATOM 448 NZ LYS A 29 -9.472 -10.034 -8.506 1.00 0.00 N ATOM 0 H LYS A 29 -12.276 -7.711 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.235 -10.415 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.616 -8.956 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.931 -9.087 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.870 -11.454 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.617 -11.593 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.663 -11.641 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.808 -10.334 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.597 -9.691 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.062 -8.683 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.667 -9.685 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.458 -9.591 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.401 -11.067 -8.404 1.00 0.00 H new ATOM 462 N GLN A 30 -10.608 -10.024 -3.386 1.00 0.00 N ATOM 463 CA GLN A 30 -9.530 -10.721 -2.623 1.00 0.00 C ATOM 464 C GLN A 30 -9.527 -10.198 -1.186 1.00 0.00 C ATOM 465 O GLN A 30 -9.861 -10.906 -0.256 1.00 0.00 O ATOM 466 CB GLN A 30 -8.174 -10.435 -3.275 1.00 0.00 C ATOM 467 CG GLN A 30 -8.148 -11.028 -4.685 1.00 0.00 C ATOM 468 CD GLN A 30 -6.718 -10.996 -5.227 1.00 0.00 C ATOM 469 OE1 GLN A 30 -6.166 -12.019 -5.580 1.00 0.00 O ATOM 470 NE2 GLN A 30 -6.089 -9.854 -5.309 1.00 0.00 N ATOM 0 H GLN A 30 -10.816 -9.077 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.709 -11.796 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.999 -9.360 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.372 -10.864 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.518 -12.053 -4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.809 -10.462 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.552 -8.995 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.135 -9.822 -5.669 1.00 0.00 H new ATOM 479 N GLY A 31 -9.168 -8.955 -0.999 1.00 0.00 N ATOM 480 CA GLY A 31 -9.158 -8.367 0.375 1.00 0.00 C ATOM 481 C GLY A 31 -7.749 -8.425 0.964 1.00 0.00 C ATOM 482 O GLY A 31 -7.530 -9.009 2.007 1.00 0.00 O ATOM 0 H GLY A 31 -8.880 -8.318 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.502 -7.334 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.851 -8.912 1.017 1.00 0.00 H new ATOM 486 N TRP A 32 -6.791 -7.814 0.319 1.00 0.00 N ATOM 487 CA TRP A 32 -5.409 -7.835 0.872 1.00 0.00 C ATOM 488 C TRP A 32 -5.442 -7.282 2.298 1.00 0.00 C ATOM 489 O TRP A 32 -6.243 -6.427 2.618 1.00 0.00 O ATOM 490 CB TRP A 32 -4.483 -6.969 0.010 1.00 0.00 C ATOM 491 CG TRP A 32 -4.699 -7.275 -1.437 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.568 -8.497 -2.003 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.032 -6.356 -2.517 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.830 -8.395 -3.359 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.117 -7.096 -3.727 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.278 -4.964 -2.564 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.433 -6.475 -4.944 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.594 -4.335 -3.787 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.672 -5.091 -4.974 1.00 0.00 C ATOM 0 H TRP A 32 -6.905 -7.306 -0.558 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.033 -8.858 0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.677 -5.913 0.200 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.443 -7.155 0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.302 -9.405 -1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.813 -9.183 -4.006 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.224 -4.379 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.492 -7.057 -5.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.777 -3.271 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.916 -4.606 -5.908 1.00 0.00 H new ATOM 510 N GLN A 33 -4.587 -7.762 3.159 1.00 0.00 N ATOM 511 CA GLN A 33 -4.582 -7.260 4.565 1.00 0.00 C ATOM 512 C GLN A 33 -4.574 -5.729 4.562 1.00 0.00 C ATOM 513 O GLN A 33 -3.530 -5.107 4.550 1.00 0.00 O ATOM 514 CB GLN A 33 -3.337 -7.778 5.288 1.00 0.00 C ATOM 515 CG GLN A 33 -3.452 -7.473 6.783 1.00 0.00 C ATOM 516 CD GLN A 33 -2.275 -8.108 7.526 1.00 0.00 C ATOM 517 OE1 GLN A 33 -2.465 -8.875 8.448 1.00 0.00 O ATOM 518 NE2 GLN A 33 -1.056 -7.817 7.161 1.00 0.00 N ATOM 0 H GLN A 33 -3.892 -8.479 2.951 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.474 -7.616 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.233 -8.852 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.443 -7.308 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.459 -6.395 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.393 -7.861 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.896 -7.173 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.264 -8.234 7.650 1.00 0.00 H new ATOM 527 N ASN A 34 -5.733 -5.119 4.570 1.00 0.00 N ATOM 528 CA ASN A 34 -5.810 -3.624 4.562 1.00 0.00 C ATOM 529 C ASN A 34 -6.146 -3.112 5.967 1.00 0.00 C ATOM 530 O ASN A 34 -7.173 -3.440 6.527 1.00 0.00 O ATOM 531 CB ASN A 34 -6.908 -3.181 3.586 1.00 0.00 C ATOM 532 CG ASN A 34 -8.109 -4.121 3.711 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.304 -4.990 2.885 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.930 -3.979 4.715 1.00 0.00 N ATOM 0 H ASN A 34 -6.635 -5.595 4.582 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.849 -3.215 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.210 -2.156 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.528 -3.192 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.736 -4.598 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.766 -3.249 5.409 1.00 0.00 H new ATOM 541 N ARG A 35 -5.298 -2.295 6.531 1.00 0.00 N ATOM 542 CA ARG A 35 -5.579 -1.743 7.889 1.00 0.00 C ATOM 543 C ARG A 35 -6.428 -0.481 7.729 1.00 0.00 C ATOM 544 O ARG A 35 -6.007 0.487 7.129 1.00 0.00 O ATOM 545 CB ARG A 35 -4.258 -1.394 8.585 1.00 0.00 C ATOM 546 CG ARG A 35 -4.548 -0.766 9.954 1.00 0.00 C ATOM 547 CD ARG A 35 -3.240 -0.564 10.726 1.00 0.00 C ATOM 548 NE ARG A 35 -2.412 -1.816 10.684 1.00 0.00 N ATOM 549 CZ ARG A 35 -2.876 -2.964 11.107 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.011 -3.026 11.747 1.00 0.00 N ATOM 551 NH2 ARG A 35 -2.170 -4.048 10.938 1.00 0.00 N ATOM 0 H ARG A 35 -4.422 -1.985 6.110 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.111 -2.478 8.492 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.651 -2.291 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.683 -0.701 7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.055 0.190 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.220 -1.408 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.680 0.266 10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.458 -0.298 11.760 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.462 -1.770 10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.545 -2.175 11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.364 -3.926 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.261 -3.998 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.527 -4.945 11.266 1.00 0.00 H new ATOM 565 N THR A 36 -7.627 -0.482 8.249 1.00 0.00 N ATOM 566 CA THR A 36 -8.501 0.722 8.108 1.00 0.00 C ATOM 567 C THR A 36 -8.300 1.652 9.301 1.00 0.00 C ATOM 568 O THR A 36 -8.674 1.341 10.414 1.00 0.00 O ATOM 569 CB THR A 36 -9.974 0.287 8.049 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.076 -0.935 7.331 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.810 1.363 7.350 1.00 0.00 C ATOM 0 H THR A 36 -8.039 -1.261 8.763 1.00 0.00 H new ATOM 0 HA THR A 36 -8.236 1.247 7.190 1.00 0.00 H new ATOM 0 HB THR A 36 -10.348 0.149 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.014 -1.215 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.852 1.047 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.735 2.299 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.439 1.510 6.336 1.00 0.00 H new ATOM 579 N ARG A 37 -7.728 2.802 9.076 1.00 0.00 N ATOM 580 CA ARG A 37 -7.523 3.762 10.195 1.00 0.00 C ATOM 581 C ARG A 37 -7.553 5.180 9.657 1.00 0.00 C ATOM 582 O ARG A 37 -6.861 5.512 8.714 1.00 0.00 O ATOM 583 CB ARG A 37 -6.155 3.534 10.866 1.00 0.00 C ATOM 584 CG ARG A 37 -6.196 4.015 12.337 1.00 0.00 C ATOM 585 CD ARG A 37 -4.828 4.566 12.754 1.00 0.00 C ATOM 586 NE ARG A 37 -3.809 3.481 12.686 1.00 0.00 N ATOM 587 CZ ARG A 37 -2.539 3.777 12.699 1.00 0.00 C ATOM 588 NH1 ARG A 37 -2.160 5.024 12.771 1.00 0.00 N ATOM 589 NH2 ARG A 37 -1.647 2.826 12.638 1.00 0.00 N ATOM 0 H ARG A 37 -7.394 3.118 8.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.318 3.608 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.895 2.476 10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.380 4.072 10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.957 4.786 12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.477 3.188 12.989 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.541 5.389 12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.880 4.967 13.766 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.105 2.506 12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.857 5.767 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.167 5.255 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.943 1.852 12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.654 3.057 12.648 1.00 0.00 H new ATOM 603 N ALA A 38 -8.297 6.029 10.276 1.00 0.00 N ATOM 604 CA ALA A 38 -8.305 7.430 9.820 1.00 0.00 C ATOM 605 C ALA A 38 -6.933 7.999 10.148 1.00 0.00 C ATOM 606 O ALA A 38 -5.938 7.655 9.542 1.00 0.00 O ATOM 607 CB ALA A 38 -9.394 8.210 10.563 1.00 0.00 C ATOM 0 H ALA A 38 -8.897 5.818 11.073 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.513 7.501 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.396 9.246 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.366 7.760 10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.196 8.181 11.634 1.00 0.00 H new ATOM 613 N GLY A 39 -6.881 8.833 11.119 1.00 0.00 N ATOM 614 CA GLY A 39 -5.584 9.429 11.545 1.00 0.00 C ATOM 615 C GLY A 39 -5.104 10.423 10.495 1.00 0.00 C ATOM 616 O GLY A 39 -4.473 11.414 10.805 1.00 0.00 O ATOM 0 H GLY A 39 -7.691 9.143 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.701 9.929 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.840 8.644 11.683 1.00 0.00 H new ATOM 620 N VAL A 40 -5.398 10.170 9.253 1.00 0.00 N ATOM 621 CA VAL A 40 -4.954 11.109 8.182 1.00 0.00 C ATOM 622 C VAL A 40 -5.891 12.323 8.165 1.00 0.00 C ATOM 623 O VAL A 40 -5.542 13.396 8.616 1.00 0.00 O ATOM 624 CB VAL A 40 -4.975 10.391 6.813 1.00 0.00 C ATOM 625 CG1 VAL A 40 -3.591 9.799 6.507 1.00 0.00 C ATOM 626 CG2 VAL A 40 -6.009 9.258 6.834 1.00 0.00 C ATOM 0 H VAL A 40 -5.924 9.358 8.931 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.935 11.443 8.379 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.239 11.116 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.616 9.295 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.851 10.599 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.322 9.082 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.019 8.756 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.747 8.541 7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.997 9.671 7.039 1.00 0.00 H new ATOM 636 N LYS A 41 -7.076 12.162 7.648 1.00 0.00 N ATOM 637 CA LYS A 41 -8.030 13.302 7.604 1.00 0.00 C ATOM 638 C LYS A 41 -9.448 12.772 7.388 1.00 0.00 C ATOM 639 O LYS A 41 -10.408 13.316 7.893 1.00 0.00 O ATOM 640 CB LYS A 41 -7.650 14.236 6.453 1.00 0.00 C ATOM 641 CG LYS A 41 -8.508 15.498 6.524 1.00 0.00 C ATOM 642 CD LYS A 41 -8.199 16.406 5.327 1.00 0.00 C ATOM 643 CE LYS A 41 -6.754 16.915 5.406 1.00 0.00 C ATOM 644 NZ LYS A 41 -6.630 18.174 4.618 1.00 0.00 N ATOM 0 H LYS A 41 -7.425 11.289 7.254 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.989 13.850 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.593 14.497 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.799 13.734 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.565 15.230 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.312 16.030 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.348 15.857 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.889 17.250 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.476 17.094 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.069 16.161 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.651 18.521 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.879 17.988 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.273 18.892 5.008 1.00 0.00 H new ATOM 658 N GLY A 42 -9.586 11.712 6.641 1.00 0.00 N ATOM 659 CA GLY A 42 -10.943 11.146 6.394 1.00 0.00 C ATOM 660 C GLY A 42 -11.451 10.466 7.666 1.00 0.00 C ATOM 661 O GLY A 42 -10.744 10.357 8.649 1.00 0.00 O ATOM 0 H GLY A 42 -8.819 11.213 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.629 11.937 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.906 10.428 5.575 1.00 0.00 H new ATOM 665 N GLY A 43 -12.673 10.006 7.658 1.00 0.00 N ATOM 666 CA GLY A 43 -13.223 9.332 8.868 1.00 0.00 C ATOM 667 C GLY A 43 -12.618 7.935 8.994 1.00 0.00 C ATOM 668 O GLY A 43 -12.653 7.325 10.045 1.00 0.00 O ATOM 0 H GLY A 43 -13.313 10.068 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.997 9.919 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.309 9.264 8.798 1.00 0.00 H new ATOM 672 N LYS A 44 -12.059 7.425 7.932 1.00 0.00 N ATOM 673 CA LYS A 44 -11.447 6.070 7.988 1.00 0.00 C ATOM 674 C LYS A 44 -10.782 5.763 6.643 1.00 0.00 C ATOM 675 O LYS A 44 -11.432 5.403 5.682 1.00 0.00 O ATOM 676 CB LYS A 44 -12.532 5.026 8.286 1.00 0.00 C ATOM 677 CG LYS A 44 -13.824 5.396 7.546 1.00 0.00 C ATOM 678 CD LYS A 44 -14.746 4.175 7.473 1.00 0.00 C ATOM 679 CE LYS A 44 -15.978 4.515 6.632 1.00 0.00 C ATOM 680 NZ LYS A 44 -16.734 5.623 7.281 1.00 0.00 N ATOM 0 H LYS A 44 -12.000 7.890 7.026 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.698 6.037 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.194 4.037 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.718 4.977 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.328 6.214 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.591 5.748 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.215 3.331 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.049 3.874 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.675 4.807 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.615 3.637 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.691 5.674 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.800 5.446 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.240 6.523 7.117 1.00 0.00 H new ATOM 694 N ALA A 45 -9.489 5.913 6.567 1.00 0.00 N ATOM 695 CA ALA A 45 -8.771 5.640 5.285 1.00 0.00 C ATOM 696 C ALA A 45 -8.371 4.164 5.221 1.00 0.00 C ATOM 697 O ALA A 45 -7.919 3.589 6.191 1.00 0.00 O ATOM 698 CB ALA A 45 -7.519 6.520 5.220 1.00 0.00 C ATOM 0 H ALA A 45 -8.894 6.214 7.339 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.423 5.866 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.988 6.328 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.809 7.570 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.868 6.289 6.063 1.00 0.00 H new ATOM 704 N ILE A 46 -8.536 3.544 4.079 1.00 0.00 N ATOM 705 CA ILE A 46 -8.167 2.103 3.944 1.00 0.00 C ATOM 706 C ILE A 46 -6.718 1.984 3.466 1.00 0.00 C ATOM 707 O ILE A 46 -6.345 2.513 2.438 1.00 0.00 O ATOM 708 CB ILE A 46 -9.098 1.428 2.929 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.842 -0.084 2.935 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.841 1.989 1.524 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.844 -0.775 2.009 1.00 0.00 C ATOM 0 H ILE A 46 -8.911 3.975 3.234 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.269 1.613 4.912 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.134 1.626 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.824 -0.292 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.937 -0.476 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.507 1.503 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.027 3.063 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.806 1.800 1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.662 -1.850 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.858 -0.577 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.727 -0.391 0.995 1.00 0.00 H new ATOM 723 N GLU A 47 -5.898 1.284 4.208 1.00 0.00 N ATOM 724 CA GLU A 47 -4.466 1.111 3.808 1.00 0.00 C ATOM 725 C GLU A 47 -4.294 -0.282 3.197 1.00 0.00 C ATOM 726 O GLU A 47 -5.187 -1.102 3.249 1.00 0.00 O ATOM 727 CB GLU A 47 -3.573 1.238 5.048 1.00 0.00 C ATOM 728 CG GLU A 47 -3.400 2.716 5.408 1.00 0.00 C ATOM 729 CD GLU A 47 -2.475 3.382 4.389 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.275 3.368 4.609 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.982 3.895 3.405 1.00 0.00 O ATOM 0 H GLU A 47 -6.159 0.822 5.079 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.185 1.874 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.017 0.699 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.601 0.784 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.369 3.215 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.983 2.811 6.411 1.00 0.00 H new ATOM 738 N TYR A 48 -3.152 -0.551 2.614 1.00 0.00 N ATOM 739 CA TYR A 48 -2.911 -1.893 1.992 1.00 0.00 C ATOM 740 C TYR A 48 -1.523 -2.399 2.386 1.00 0.00 C ATOM 741 O TYR A 48 -0.533 -1.711 2.236 1.00 0.00 O ATOM 742 CB TYR A 48 -2.999 -1.768 0.468 1.00 0.00 C ATOM 743 CG TYR A 48 -4.447 -1.601 0.063 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.362 -2.651 0.278 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.883 -0.398 -0.526 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.710 -2.498 -0.098 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.231 -0.246 -0.900 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.145 -1.295 -0.686 1.00 0.00 C ATOM 749 OH TYR A 48 -8.467 -1.145 -1.053 1.00 0.00 O ATOM 0 H TYR A 48 -2.372 0.103 2.541 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.664 -2.598 2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.413 -0.914 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.577 -2.654 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.029 -3.573 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.183 0.408 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.411 -3.304 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.565 0.676 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.656 -0.197 -1.216 1.00 0.00 H new ATOM 759 N ASN A 49 -1.444 -3.602 2.890 1.00 0.00 N ATOM 760 CA ASN A 49 -0.122 -4.159 3.295 1.00 0.00 C ATOM 761 C ASN A 49 0.648 -4.590 2.046 1.00 0.00 C ATOM 762 O ASN A 49 0.248 -5.494 1.340 1.00 0.00 O ATOM 763 CB ASN A 49 -0.338 -5.372 4.202 1.00 0.00 C ATOM 764 CG ASN A 49 1.014 -5.889 4.696 1.00 0.00 C ATOM 765 OD1 ASN A 49 2.044 -5.324 4.388 1.00 0.00 O ATOM 766 ND2 ASN A 49 1.054 -6.949 5.457 1.00 0.00 N ATOM 0 H ASN A 49 -2.239 -4.223 3.039 1.00 0.00 H new ATOM 0 HA ASN A 49 0.446 -3.400 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.966 -5.098 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.862 -6.157 3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.950 -7.302 5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.189 -7.424 5.716 1.00 0.00 H new ATOM 773 N ALA A 50 1.747 -3.945 1.763 1.00 0.00 N ATOM 774 CA ALA A 50 2.539 -4.315 0.557 1.00 0.00 C ATOM 775 C ALA A 50 2.877 -5.809 0.598 1.00 0.00 C ATOM 776 O ALA A 50 3.002 -6.454 -0.422 1.00 0.00 O ATOM 777 CB ALA A 50 3.832 -3.497 0.524 1.00 0.00 C ATOM 0 H ALA A 50 2.130 -3.178 2.315 1.00 0.00 H new ATOM 0 HA ALA A 50 1.953 -4.104 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.411 -3.768 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.590 -2.435 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.417 -3.705 1.420 1.00 0.00 H new ATOM 783 N ASN A 51 3.029 -6.362 1.770 1.00 0.00 N ATOM 784 CA ASN A 51 3.364 -7.812 1.870 1.00 0.00 C ATOM 785 C ASN A 51 2.157 -8.651 1.444 1.00 0.00 C ATOM 786 O ASN A 51 2.283 -9.812 1.109 1.00 0.00 O ATOM 787 CB ASN A 51 3.733 -8.151 3.316 1.00 0.00 C ATOM 788 CG ASN A 51 4.954 -7.332 3.737 1.00 0.00 C ATOM 789 OD1 ASN A 51 6.054 -7.584 3.288 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.806 -6.355 4.590 1.00 0.00 N ATOM 0 H ASN A 51 2.936 -5.874 2.661 1.00 0.00 H new ATOM 0 HA ASN A 51 4.207 -8.033 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.893 -7.937 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.947 -9.216 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.614 -5.804 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.882 -6.143 4.967 1.00 0.00 H new ATOM 797 N SER A 52 0.986 -8.074 1.458 1.00 0.00 N ATOM 798 CA SER A 52 -0.234 -8.836 1.059 1.00 0.00 C ATOM 799 C SER A 52 -0.458 -8.702 -0.452 1.00 0.00 C ATOM 800 O SER A 52 -1.177 -9.477 -1.052 1.00 0.00 O ATOM 801 CB SER A 52 -1.442 -8.276 1.809 1.00 0.00 C ATOM 802 OG SER A 52 -1.245 -8.449 3.206 1.00 0.00 O ATOM 0 H SER A 52 0.820 -7.105 1.729 1.00 0.00 H new ATOM 0 HA SER A 52 -0.104 -9.889 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.572 -7.219 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.351 -8.787 1.492 1.00 0.00 H new ATOM 0 HG SER A 52 -1.747 -9.233 3.513 1.00 0.00 H new ATOM 808 N LEU A 53 0.151 -7.727 -1.075 1.00 0.00 N ATOM 809 CA LEU A 53 -0.030 -7.554 -2.547 1.00 0.00 C ATOM 810 C LEU A 53 0.632 -8.740 -3.278 1.00 0.00 C ATOM 811 O LEU A 53 1.609 -9.272 -2.787 1.00 0.00 O ATOM 812 CB LEU A 53 0.645 -6.247 -2.985 1.00 0.00 C ATOM 813 CG LEU A 53 -0.014 -5.045 -2.292 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.712 -3.765 -2.722 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.501 -4.949 -2.687 1.00 0.00 C ATOM 0 H LEU A 53 0.764 -7.045 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.092 -7.518 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.707 -6.279 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.571 -6.137 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 53 0.054 -5.170 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.252 -2.905 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.761 -3.827 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.640 -3.652 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.955 -4.093 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.583 -4.826 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.017 -5.860 -2.385 1.00 0.00 H new ATOM 827 N PRO A 54 0.107 -9.134 -4.429 1.00 0.00 N ATOM 828 CA PRO A 54 0.695 -10.257 -5.186 1.00 0.00 C ATOM 829 C PRO A 54 2.174 -9.972 -5.486 1.00 0.00 C ATOM 830 O PRO A 54 2.811 -9.177 -4.824 1.00 0.00 O ATOM 831 CB PRO A 54 -0.140 -10.346 -6.488 1.00 0.00 C ATOM 832 CG PRO A 54 -1.201 -9.207 -6.441 1.00 0.00 C ATOM 833 CD PRO A 54 -1.083 -8.520 -5.063 1.00 0.00 C ATOM 0 HA PRO A 54 0.668 -11.196 -4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.501 -10.237 -7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.625 -11.319 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.029 -8.489 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.203 -9.611 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.962 -7.442 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.978 -8.683 -4.463 1.00 0.00 H new ATOM 841 N VAL A 55 2.722 -10.622 -6.479 1.00 0.00 N ATOM 842 CA VAL A 55 4.157 -10.404 -6.829 1.00 0.00 C ATOM 843 C VAL A 55 4.268 -9.325 -7.909 1.00 0.00 C ATOM 844 O VAL A 55 5.169 -8.511 -7.895 1.00 0.00 O ATOM 845 CB VAL A 55 4.745 -11.707 -7.366 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.257 -11.551 -7.545 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.464 -12.839 -6.376 1.00 0.00 C ATOM 0 H VAL A 55 2.234 -11.299 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 55 4.701 -10.086 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 55 4.288 -11.942 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.676 -12.481 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.459 -10.745 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.715 -11.316 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.883 -13.769 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.921 -12.603 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.387 -12.952 -6.248 1.00 0.00 H new ATOM 857 N GLU A 56 3.364 -9.319 -8.850 1.00 0.00 N ATOM 858 CA GLU A 56 3.427 -8.298 -9.934 1.00 0.00 C ATOM 859 C GLU A 56 3.391 -6.898 -9.320 1.00 0.00 C ATOM 860 O GLU A 56 4.107 -6.007 -9.739 1.00 0.00 O ATOM 861 CB GLU A 56 2.228 -8.474 -10.869 1.00 0.00 C ATOM 862 CG GLU A 56 2.352 -9.804 -11.617 1.00 0.00 C ATOM 863 CD GLU A 56 3.420 -9.682 -12.705 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.091 -9.206 -13.779 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.548 -10.068 -12.446 1.00 0.00 O ATOM 0 H GLU A 56 2.586 -9.975 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 56 4.351 -8.424 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.301 -8.452 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.183 -7.648 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.616 -10.601 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.394 -10.073 -12.062 1.00 0.00 H new ATOM 872 N ALA A 57 2.567 -6.693 -8.330 1.00 0.00 N ATOM 873 CA ALA A 57 2.494 -5.348 -7.698 1.00 0.00 C ATOM 874 C ALA A 57 3.677 -5.170 -6.748 1.00 0.00 C ATOM 875 O ALA A 57 4.199 -4.087 -6.595 1.00 0.00 O ATOM 876 CB ALA A 57 1.186 -5.222 -6.918 1.00 0.00 C ATOM 0 H ALA A 57 1.944 -7.396 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 57 2.529 -4.579 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.132 -4.237 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.343 -5.350 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.148 -5.989 -6.145 1.00 0.00 H new ATOM 882 N LYS A 58 4.110 -6.224 -6.113 1.00 0.00 N ATOM 883 CA LYS A 58 5.265 -6.108 -5.178 1.00 0.00 C ATOM 884 C LYS A 58 6.469 -5.535 -5.931 1.00 0.00 C ATOM 885 O LYS A 58 7.060 -4.557 -5.519 1.00 0.00 O ATOM 886 CB LYS A 58 5.612 -7.503 -4.627 1.00 0.00 C ATOM 887 CG LYS A 58 6.776 -7.428 -3.598 1.00 0.00 C ATOM 888 CD LYS A 58 6.242 -7.479 -2.156 1.00 0.00 C ATOM 889 CE LYS A 58 5.473 -6.196 -1.829 1.00 0.00 C ATOM 890 NZ LYS A 58 5.385 -6.039 -0.351 1.00 0.00 N ATOM 0 H LYS A 58 3.714 -7.160 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 58 5.008 -5.446 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.732 -7.939 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.892 -8.162 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.466 -8.255 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.340 -6.508 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.590 -8.344 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.070 -7.603 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.976 -5.335 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.474 -6.237 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.521 -5.039 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.450 -6.355 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.123 -6.614 0.104 1.00 0.00 H new ATOM 904 N ALA A 59 6.840 -6.138 -7.027 1.00 0.00 N ATOM 905 CA ALA A 59 8.010 -5.628 -7.795 1.00 0.00 C ATOM 906 C ALA A 59 7.800 -4.152 -8.140 1.00 0.00 C ATOM 907 O ALA A 59 8.652 -3.319 -7.891 1.00 0.00 O ATOM 908 CB ALA A 59 8.162 -6.435 -9.087 1.00 0.00 C ATOM 0 H ALA A 59 6.384 -6.960 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 59 8.910 -5.732 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.018 -6.063 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.317 -7.486 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.259 -6.332 -9.689 1.00 0.00 H new ATOM 914 N ALA A 60 6.674 -3.816 -8.708 1.00 0.00 N ATOM 915 CA ALA A 60 6.425 -2.391 -9.068 1.00 0.00 C ATOM 916 C ALA A 60 6.432 -1.538 -7.798 1.00 0.00 C ATOM 917 O ALA A 60 6.890 -0.410 -7.794 1.00 0.00 O ATOM 918 CB ALA A 60 5.068 -2.272 -9.766 1.00 0.00 C ATOM 0 H ALA A 60 5.919 -4.463 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 60 7.207 -2.040 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.885 -1.230 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.069 -2.881 -10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.282 -2.620 -9.096 1.00 0.00 H new ATOM 924 N LEU A 61 5.940 -2.071 -6.716 1.00 0.00 N ATOM 925 CA LEU A 61 5.932 -1.296 -5.446 1.00 0.00 C ATOM 926 C LEU A 61 7.379 -1.030 -5.041 1.00 0.00 C ATOM 927 O LEU A 61 7.762 0.088 -4.760 1.00 0.00 O ATOM 928 CB LEU A 61 5.228 -2.123 -4.349 1.00 0.00 C ATOM 929 CG LEU A 61 4.735 -1.244 -3.171 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.750 -0.152 -2.801 1.00 0.00 C ATOM 931 CD2 LEU A 61 3.381 -0.599 -3.526 1.00 0.00 C ATOM 0 H LEU A 61 5.543 -3.009 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 61 5.400 -0.353 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.380 -2.651 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.915 -2.880 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 61 4.619 -1.895 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.362 0.439 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.692 -0.615 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.917 0.496 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.042 0.017 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.496 0.023 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.646 -1.380 -3.723 1.00 0.00 H new ATOM 943 N LEU A 62 8.188 -2.060 -5.001 1.00 0.00 N ATOM 944 CA LEU A 62 9.612 -1.876 -4.602 1.00 0.00 C ATOM 945 C LEU A 62 10.185 -0.642 -5.302 1.00 0.00 C ATOM 946 O LEU A 62 11.039 0.043 -4.774 1.00 0.00 O ATOM 947 CB LEU A 62 10.429 -3.110 -4.992 1.00 0.00 C ATOM 948 CG LEU A 62 10.078 -4.295 -4.078 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.818 -5.538 -4.577 1.00 0.00 C ATOM 950 CD2 LEU A 62 10.492 -3.995 -2.616 1.00 0.00 C ATOM 0 H LEU A 62 7.921 -3.018 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 62 9.664 -1.740 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.230 -3.372 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.494 -2.888 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 62 9.001 -4.462 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.577 -6.386 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.512 -5.757 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.893 -5.357 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.236 -4.845 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.567 -3.820 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.965 -3.108 -2.263 1.00 0.00 H new ATOM 962 N LEU A 63 9.712 -0.345 -6.481 1.00 0.00 N ATOM 963 CA LEU A 63 10.223 0.855 -7.201 1.00 0.00 C ATOM 964 C LEU A 63 9.774 2.117 -6.457 1.00 0.00 C ATOM 965 O LEU A 63 10.576 2.833 -5.892 1.00 0.00 O ATOM 966 CB LEU A 63 9.664 0.883 -8.626 1.00 0.00 C ATOM 967 CG LEU A 63 9.776 -0.507 -9.253 1.00 0.00 C ATOM 968 CD1 LEU A 63 9.343 -0.440 -10.719 1.00 0.00 C ATOM 969 CD2 LEU A 63 11.226 -0.995 -9.169 1.00 0.00 C ATOM 0 H LEU A 63 8.997 -0.879 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 63 11.311 0.815 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.622 1.203 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.212 1.609 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 63 9.131 -1.201 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.422 -1.430 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.310 -0.097 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.988 0.255 -11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.303 -1.986 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.875 -0.303 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.534 -1.044 -8.124 1.00 0.00 H new ATOM 981 N ARG A 64 8.497 2.399 -6.459 1.00 0.00 N ATOM 982 CA ARG A 64 8.003 3.620 -5.757 1.00 0.00 C ATOM 983 C ARG A 64 7.934 3.376 -4.244 1.00 0.00 C ATOM 984 O ARG A 64 6.889 3.483 -3.635 1.00 0.00 O ATOM 985 CB ARG A 64 6.609 3.988 -6.279 1.00 0.00 C ATOM 986 CG ARG A 64 5.690 2.758 -6.243 1.00 0.00 C ATOM 987 CD ARG A 64 4.241 3.188 -6.495 1.00 0.00 C ATOM 988 NE ARG A 64 3.876 4.301 -5.575 1.00 0.00 N ATOM 989 CZ ARG A 64 2.820 5.027 -5.817 1.00 0.00 C ATOM 990 NH1 ARG A 64 2.077 4.772 -6.860 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.504 6.007 -5.016 1.00 0.00 N ATOM 0 H ARG A 64 7.777 1.838 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 64 8.695 4.439 -5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.184 4.787 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.682 4.367 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.002 2.037 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.769 2.261 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.122 3.506 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.570 2.343 -6.342 1.00 0.00 H new ATOM 0 HE ARG A 64 4.452 4.495 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.322 4.005 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.251 5.340 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.083 6.206 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.678 6.575 -5.206 1.00 0.00 H new ATOM 1005 N GLN A 65 9.040 3.059 -3.628 1.00 0.00 N ATOM 1006 CA GLN A 65 9.028 2.816 -2.159 1.00 0.00 C ATOM 1007 C GLN A 65 8.998 4.156 -1.420 1.00 0.00 C ATOM 1008 O GLN A 65 9.537 4.294 -0.339 1.00 0.00 O ATOM 1009 CB GLN A 65 10.287 2.029 -1.772 1.00 0.00 C ATOM 1010 CG GLN A 65 10.104 0.547 -2.139 1.00 0.00 C ATOM 1011 CD GLN A 65 9.393 -0.197 -1.000 1.00 0.00 C ATOM 1012 OE1 GLN A 65 9.551 0.143 0.156 1.00 0.00 O ATOM 1013 NE2 GLN A 65 8.613 -1.206 -1.280 1.00 0.00 N ATOM 0 H GLN A 65 9.950 2.958 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 65 8.144 2.241 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.156 2.437 -2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.476 2.128 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.523 0.461 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.075 0.090 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.479 -1.493 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.138 -1.707 -0.529 1.00 0.00 H new ATOM 1022 N GLY A 66 8.365 5.142 -1.995 1.00 0.00 N ATOM 1023 CA GLY A 66 8.288 6.475 -1.331 1.00 0.00 C ATOM 1024 C GLY A 66 9.671 6.885 -0.825 1.00 0.00 C ATOM 1025 O GLY A 66 10.662 6.236 -1.097 1.00 0.00 O ATOM 0 H GLY A 66 7.896 5.082 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.913 7.220 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.584 6.437 -0.500 1.00 0.00 H new ATOM 1029 N GLU A 67 9.746 7.961 -0.090 1.00 0.00 N ATOM 1030 CA GLU A 67 11.061 8.418 0.437 1.00 0.00 C ATOM 1031 C GLU A 67 11.412 7.619 1.693 1.00 0.00 C ATOM 1032 O GLU A 67 10.827 7.805 2.742 1.00 0.00 O ATOM 1033 CB GLU A 67 10.979 9.905 0.786 1.00 0.00 C ATOM 1034 CG GLU A 67 12.388 10.457 1.008 1.00 0.00 C ATOM 1035 CD GLU A 67 13.102 10.585 -0.339 1.00 0.00 C ATOM 1036 OE1 GLU A 67 12.465 10.341 -1.351 1.00 0.00 O ATOM 1037 OE2 GLU A 67 14.273 10.926 -0.336 1.00 0.00 O ATOM 0 H GLU A 67 8.950 8.544 0.168 1.00 0.00 H new ATOM 0 HA GLU A 67 11.830 8.263 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.486 10.451 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.376 10.046 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.337 11.429 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.950 9.796 1.668 1.00 0.00 H new ATOM 1044 N ILE A 68 12.362 6.731 1.598 1.00 0.00 N ATOM 1045 CA ILE A 68 12.747 5.922 2.788 1.00 0.00 C ATOM 1046 C ILE A 68 13.473 6.816 3.796 1.00 0.00 C ATOM 1047 O ILE A 68 13.577 6.495 4.963 1.00 0.00 O ATOM 1048 CB ILE A 68 13.671 4.780 2.353 1.00 0.00 C ATOM 1049 CG1 ILE A 68 13.114 4.135 1.079 1.00 0.00 C ATOM 1050 CG2 ILE A 68 13.751 3.732 3.465 1.00 0.00 C ATOM 1051 CD1 ILE A 68 13.939 2.895 0.724 1.00 0.00 C ATOM 0 H ILE A 68 12.889 6.530 0.748 1.00 0.00 H new ATOM 0 HA ILE A 68 11.853 5.505 3.251 1.00 0.00 H new ATOM 0 HB ILE A 68 14.669 5.173 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.070 3.859 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.142 4.850 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.409 2.921 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.146 4.192 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 68 12.755 3.336 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.540 2.440 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.977 3.184 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.889 2.178 1.543 1.00 0.00 H new ATOM 1063 N GLU A 69 13.978 7.935 3.354 1.00 0.00 N ATOM 1064 CA GLU A 69 14.698 8.848 4.284 1.00 0.00 C ATOM 1065 C GLU A 69 13.843 9.092 5.529 1.00 0.00 C ATOM 1066 O GLU A 69 14.350 9.334 6.605 1.00 0.00 O ATOM 1067 CB GLU A 69 14.971 10.181 3.583 1.00 0.00 C ATOM 1068 CG GLU A 69 15.969 10.996 4.408 1.00 0.00 C ATOM 1069 CD GLU A 69 16.315 12.287 3.663 1.00 0.00 C ATOM 1070 OE1 GLU A 69 15.395 12.987 3.272 1.00 0.00 O ATOM 1071 OE2 GLU A 69 17.493 12.553 3.495 1.00 0.00 O ATOM 0 H GLU A 69 13.923 8.256 2.387 1.00 0.00 H new ATOM 0 HA GLU A 69 15.643 8.392 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.368 10.004 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.042 10.738 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.544 11.230 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.873 10.413 4.585 1.00 0.00 H new ATOM 1078 N THR A 70 12.546 9.033 5.391 1.00 0.00 N ATOM 1079 CA THR A 70 11.663 9.261 6.566 1.00 0.00 C ATOM 1080 C THR A 70 11.923 8.179 7.614 1.00 0.00 C ATOM 1081 O THR A 70 11.952 8.443 8.800 1.00 0.00 O ATOM 1082 CB THR A 70 10.201 9.200 6.116 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.018 8.083 5.258 1.00 0.00 O ATOM 1084 CG2 THR A 70 9.839 10.485 5.369 1.00 0.00 C ATOM 0 H THR A 70 12.062 8.837 4.515 1.00 0.00 H new ATOM 0 HA THR A 70 11.871 10.240 6.999 1.00 0.00 H new ATOM 0 HB THR A 70 9.556 9.098 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.218 8.344 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.798 10.439 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.979 11.341 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.482 10.591 4.495 1.00 0.00 H new ATOM 1092 N SER A 71 12.113 6.964 7.185 1.00 0.00 N ATOM 1093 CA SER A 71 12.373 5.863 8.153 1.00 0.00 C ATOM 1094 C SER A 71 13.741 6.069 8.807 1.00 0.00 C ATOM 1095 O SER A 71 13.849 6.621 9.884 1.00 0.00 O ATOM 1096 CB SER A 71 12.358 4.523 7.415 1.00 0.00 C ATOM 1097 OG SER A 71 12.757 3.490 8.307 1.00 0.00 O ATOM 0 H SER A 71 12.100 6.685 6.204 1.00 0.00 H new ATOM 0 HA SER A 71 11.600 5.865 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.360 4.319 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.031 4.559 6.558 1.00 0.00 H new ATOM 0 HG SER A 71 12.747 2.630 7.837 1.00 0.00 H new ATOM 1103 N LEU A 72 14.787 5.630 8.163 1.00 0.00 N ATOM 1104 CA LEU A 72 16.148 5.799 8.746 1.00 0.00 C ATOM 1105 C LEU A 72 16.338 7.249 9.194 1.00 0.00 C ATOM 1106 O LEU A 72 16.097 8.180 8.450 1.00 0.00 O ATOM 1107 CB LEU A 72 17.206 5.429 7.693 1.00 0.00 C ATOM 1108 CG LEU A 72 17.003 6.262 6.394 1.00 0.00 C ATOM 1109 CD1 LEU A 72 18.036 7.394 6.319 1.00 0.00 C ATOM 1110 CD2 LEU A 72 17.171 5.362 5.160 1.00 0.00 C ATOM 0 H LEU A 72 14.758 5.161 7.258 1.00 0.00 H new ATOM 0 HA LEU A 72 16.260 5.144 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.204 5.608 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.141 4.366 7.463 1.00 0.00 H new ATOM 0 HG LEU A 72 15.998 6.684 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.881 7.968 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.921 8.049 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.040 6.970 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.027 5.954 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.173 4.932 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.432 4.561 5.191 1.00 0.00 H new ATOM 1122 N GLY A 73 16.763 7.449 10.413 1.00 0.00 N ATOM 1123 CA GLY A 73 16.967 8.837 10.916 1.00 0.00 C ATOM 1124 C GLY A 73 18.293 9.377 10.384 1.00 0.00 C ATOM 1125 O GLY A 73 18.805 10.371 10.858 1.00 0.00 O ATOM 0 H GLY A 73 16.978 6.710 11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.145 9.477 10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.969 8.844 12.006 1.00 0.00 H new ATOM 1129 N TYR A 74 18.853 8.721 9.403 1.00 0.00 N ATOM 1130 CA TYR A 74 20.151 9.177 8.823 1.00 0.00 C ATOM 1131 C TYR A 74 21.254 9.037 9.873 1.00 0.00 C ATOM 1132 O TYR A 74 22.420 9.235 9.593 1.00 0.00 O ATOM 1133 CB TYR A 74 20.039 10.644 8.374 1.00 0.00 C ATOM 1134 CG TYR A 74 21.114 10.949 7.355 1.00 0.00 C ATOM 1135 CD1 TYR A 74 22.372 11.419 7.779 1.00 0.00 C ATOM 1136 CD2 TYR A 74 20.858 10.762 5.983 1.00 0.00 C ATOM 1137 CE1 TYR A 74 23.374 11.703 6.831 1.00 0.00 C ATOM 1138 CE2 TYR A 74 21.860 11.045 5.035 1.00 0.00 C ATOM 1139 CZ TYR A 74 23.118 11.516 5.458 1.00 0.00 C ATOM 1140 OH TYR A 74 24.100 11.793 4.529 1.00 0.00 O ATOM 0 H TYR A 74 18.464 7.881 8.975 1.00 0.00 H new ATOM 0 HA TYR A 74 20.395 8.562 7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 74 19.054 10.829 7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.141 11.306 9.234 1.00 0.00 H new ATOM 0 HD1 TYR A 74 22.568 11.562 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.893 10.402 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 74 24.338 12.064 7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 74 21.664 10.901 3.983 1.00 0.00 H new ATOM 0 HH TYR A 74 23.760 11.609 3.629 1.00 0.00 H new ATOM 1150 N PHE A 75 20.900 8.690 11.080 1.00 0.00 N ATOM 1151 CA PHE A 75 21.933 8.530 12.138 1.00 0.00 C ATOM 1152 C PHE A 75 22.683 7.220 11.907 1.00 0.00 C ATOM 1153 O PHE A 75 23.673 6.935 12.551 1.00 0.00 O ATOM 1154 CB PHE A 75 21.261 8.499 13.513 1.00 0.00 C ATOM 1155 CG PHE A 75 22.314 8.619 14.588 1.00 0.00 C ATOM 1156 CD1 PHE A 75 22.944 7.462 15.088 1.00 0.00 C ATOM 1157 CD2 PHE A 75 22.667 9.887 15.089 1.00 0.00 C ATOM 1158 CE1 PHE A 75 23.927 7.575 16.090 1.00 0.00 C ATOM 1159 CE2 PHE A 75 23.651 9.998 16.091 1.00 0.00 C ATOM 1160 CZ PHE A 75 24.281 8.842 16.591 1.00 0.00 C ATOM 0 H PHE A 75 19.941 8.511 11.378 1.00 0.00 H new ATOM 0 HA PHE A 75 22.631 9.367 12.099 1.00 0.00 H new ATOM 0 HB2 PHE A 75 20.544 9.315 13.598 1.00 0.00 H new ATOM 0 HB3 PHE A 75 20.703 7.571 13.637 1.00 0.00 H new ATOM 0 HD1 PHE A 75 22.673 6.490 14.703 1.00 0.00 H new ATOM 0 HD2 PHE A 75 22.184 10.773 14.705 1.00 0.00 H new ATOM 0 HE1 PHE A 75 24.410 6.689 16.474 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.922 10.970 16.476 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.036 8.928 17.359 1.00 0.00 H new ATOM 1170 N GLU A 76 22.217 6.419 10.986 1.00 0.00 N ATOM 1171 CA GLU A 76 22.900 5.124 10.706 1.00 0.00 C ATOM 1172 C GLU A 76 22.964 4.290 11.987 1.00 0.00 C ATOM 1173 O GLU A 76 23.707 4.592 12.900 1.00 0.00 O ATOM 1174 CB GLU A 76 24.318 5.394 10.198 1.00 0.00 C ATOM 1175 CG GLU A 76 24.288 6.535 9.179 1.00 0.00 C ATOM 1176 CD GLU A 76 25.631 6.606 8.453 1.00 0.00 C ATOM 1177 OE1 GLU A 76 26.640 6.347 9.088 1.00 0.00 O ATOM 1178 OE2 GLU A 76 25.630 6.919 7.275 1.00 0.00 O ATOM 1179 OXT GLU A 76 22.192 3.243 12.062 1.00 0.00 O ATOM 0 H GLU A 76 21.392 6.606 10.416 1.00 0.00 H new ATOM 0 HA GLU A 76 22.341 4.576 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.971 5.654 11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.729 4.494 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.483 6.375 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.084 7.480 9.682 1.00 0.00 H new TER 1186 GLU A 76